A0A077ZC23_TRITR Loading...

Transient receptor potential channel

AlphaFold DB , UniProt , Accession A0A077ZC23, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,409 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M66.1Low71.2Confident32 Ų3260.8 Ų60.816%0.15833%0.329CS..  0-67.80-157.759.1179.300112.7L3 A4 V5 V13 L16 L17 L58M1-L3 PolarHBondContact O-N 2.78Å; M1-A4 WeakPolarHBondContact O-CB 3.47Å; M1-A4 PolarHBondContact O-N 3.37Å; M1-A4 VanDerWaalsContact O-N 3.08Å; M1-V5 HydrophobicContact CE-CG2 4.38Å; M1-V5 WeakPolarHBondContact O-CG2 3.34Å; M1-V5 PolarHBondContact O-N 3.14Å; M1-V13 HydrophobicContact CE-CG1 3.65Å; M1-V13 HydrophobicContact SD-CG1 4.46Å; M1-L16 HydrophobicContact SD-CB 3.77Å; M1-L16 HydrophobicContact SD-CD1 4.35Å; M1-L17 HydrophobicContact CE-CD1 4.26Å; M1-L17 HydrophobicContact CE-CD2 3.6Å; M1-L17 HydrophobicContact CE-CG 3.72Å; M1-L58 HydrophobicContact CE-CD2 3.47Å; M1-L58 VanDerWaalsContact CE-CD2 3.47Å
2Q64.5Low71.7Confident18 Ų1857.5 Ų57.58%0.08432%0.316CS..Hα-helixtrans-57.1-37.4-177.1-69.1-167.1-1400115.2V5 K6 A25 S27 L40 P42 I45Q2-V5 PolarHBondContact O-N 3.38Å; Q2-K6 WeakPolarHBondContact O-CB 3.25Å; Q2-K6 WeakPolarHBondContact O-CG 2.97Å; Q2-K6 PolarHBondContact O-N 3.11Å; Q2-A25 PolarHBondContact NE2-O 3.19Å; Q2-S27 PolarHBondContact OE1-OG 3.17Å; Q2-L40 PolarHBondContact NE2-O 2.93Å; Q2-P42 HydrophobicContact CG-CG 3.94Å; Q2-I45 HydrophobicContact CB-CD1 4.48Å
3L69Low71.7Confident140 Ų14053.1 Ų53.173%0.73329%0.292SS*.Hα-helixtrans-66.9-40.5174.7-74.6168.4000112.7M1 V5 K6 A7M1-L3 PolarHBondContact O-N 2.78Å; L3-V5 VanDerWaalsContact C-N 3.34Å; L3-K6 PolarHBondContact O-N 2.86Å; L3-A7 VanDerWaalsContact O-CB 3.31Å; L3-A7 WeakPolarHBondContact O-CB 3.44Å; L3-A7 PolarHBondContact O-N 3.36Å
4A72.1Confident71.9Confident8 Ų856.5 Ų56.57%0.06630%0.298CS..Hα-helixtrans-66.9-37.7176.200000111.7M1 A7 D8 Q9 A12 V13 L16M1-A4 WeakPolarHBondContact O-CB 3.47Å; M1-A4 PolarHBondContact O-N 3.37Å; M1-A4 VanDerWaalsContact O-N 3.08Å; A4-A7 PolarHBondContact O-N 2.67Å; A4-D8 PolarHBondContact O-N 3.48Å; A4-Q9 PolarHBondContact O-N 3.24Å; A4-Q9 VanDerWaalsContact O-N 3.08Å; A4-A12 HydrophobicContact CB-CB 3.92Å; A4-V13 HydrophobicContact CB-CG2 3.83Å; A4-L16 HydrophobicContact CB-CD1 3.49Å; A4-L16 VanDerWaalsContact CB-CD1 3.49Å
5V71.4Confident72.1Confident0 Ų061.1 Ų61.10%032%0.318CS..Hα-helixtrans-67.6-38.6173172.80000111.6M1 Q2 L3 D8 V13 P42 I45 N49 L54 L58M1-V5 HydrophobicContact CE-CG2 4.38Å; M1-V5 WeakPolarHBondContact O-CG2 3.34Å; M1-V5 PolarHBondContact O-N 3.14Å; Q2-V5 PolarHBondContact O-N 3.38Å; L3-V5 VanDerWaalsContact C-N 3.34Å; V5-D8 PolarHBondContact O-N 3.31Å; V5-V13 HydrophobicContact CG2-CG2 3.67Å; V5-P42 HydrophobicContact CG2-CB 4.37Å; V5-I45 HydrophobicContact CG1-CB 3.8Å; V5-I45 HydrophobicContact CG1-CG2 3.67Å; V5-N49 PolarHBondContact O-ND2 3.35Å; V5-L54 HydrophobicContact CB-CD2 4.24Å; V5-L54 HydrophobicContact CG1-CD2 3.56Å; V5-L54 HydrophobicContact CG2-CD2 4.04Å; V5-L58 HydrophobicContact CG2-CD1 4.5Å
6K70.1Confident72Confident89 Ų8960.3 Ų60.339%0.38731%0.314SS..Hα-helixtrans-67.7-36.4173.7-82.2-177.2175.5-176.60113.4Q2 L3 D8 I45Q2-K6 WeakPolarHBondContact O-CB 3.25Å; Q2-K6 WeakPolarHBondContact O-CG 2.97Å; Q2-K6 PolarHBondContact O-N 3.11Å; L3-K6 PolarHBondContact O-N 2.86Å; K6-D8 PolarHBondContact O-N 3.39Å; K6-I45 HydrophobicContact CG-CD1 4.24Å; K6-I45 HydrophobicContact CG-CG2 3.98Å
7A73.7Confident71.9Confident58 Ų5858.1 Ų58.148%0.47930%0.302SS..THydrogen-bonded Turntrans-81.44.117900000113.3L3 A4 Q9L3-A7 VanDerWaalsContact O-CB 3.31Å; L3-A7 WeakPolarHBondContact O-CB 3.44Å; L3-A7 PolarHBondContact O-N 3.36Å; A4-A7 PolarHBondContact O-N 2.67Å; A7-Q9 HydrophobicContact CB-CG 3.96Å; A7-Q9 PolarHBondContact O-N 3.11Å; A7-Q9 VanDerWaalsContact O-N 3.13Å
8D69.7Low71.9Confident78 Ų7866.4 Ų66.442%0.41733%0.329SS..THydrogen-bonded Turntrans55.727.3-178.8-141.335.8000114.3A4 V5 K6 S10 N51A4-D8 PolarHBondContact O-N 3.48Å; V5-D8 PolarHBondContact O-N 3.31Å; K6-D8 PolarHBondContact O-N 3.39Å; D8-S10 PolarHBondContact O-N 2.81Å; D8-S10 VanDerWaalsContact O-N 3.15Å; D8-N51 VanDerWaalsContact CG-ND2 3.26Å; D8-N51 WeakPolarHBondContact OD1-CB 3.37Å; D8-N51 PolarHBondContact OD1-ND2 3.3Å; D8-N51 PolarHBondContact OD2-ND2 3.13Å
9Q77.7Confident71.8Confident112 Ų11270 Ų7052%0.52335%0.349SS..  trans-87.983.4-177.3-69.5-179.3-19.100110.1A4 A7 D11 A12 V13A4-Q9 PolarHBondContact O-N 3.24Å; A4-Q9 VanDerWaalsContact O-N 3.08Å; A7-Q9 HydrophobicContact CB-CG 3.96Å; A7-Q9 PolarHBondContact O-N 3.11Å; A7-Q9 VanDerWaalsContact O-N 3.13Å; Q9-D11 PolarHBondContact O-N 3.43Å; Q9-D11 VanDerWaalsContact O-N 3.17Å; Q9-A12 HydrophobicContact CB-CB 3.63Å; Q9-A12 PolarHBondContact O-N 3.45Å; Q9-A12 VanDerWaalsContact O-N 3.12Å; Q9-V13 WeakPolarHBondContact O-CG2 3.47Å; Q9-V13 PolarHBondContact O-N 3.3Å
10S72.1Confident71.5Confident36 Ų3673.9 Ų73.925%0.25237%0.371SS..Hα-helixtrans-51.9-37177.5530000113D8 V13 R14D8-S10 PolarHBondContact O-N 2.81Å; D8-S10 VanDerWaalsContact O-N 3.15Å; S10-V13 PolarHBondContact O-N 3.2Å; S10-R14 WeakPolarHBondContact O-CG 3.49Å; S10-R14 PolarHBondContact O-N 3.39Å
11D77.1Confident70.9Confident98 Ų9871.7 Ų71.752%0.52436%0.364SS..Hα-helixtrans-75.4-37.4-180-65.4-34.2000112.9Q9 V13 R14 Q15Q9-D11 PolarHBondContact O-N 3.43Å; Q9-D11 VanDerWaalsContact O-N 3.17Å; D11-V13 VanDerWaalsContact C-N 3.32Å; D11-R14 PolarHBondContact O-N 3.1Å; D11-R14 IonicContact OD1-NH1 2.7Å; D11-R14 PolarHBondContact OD1-NH1 3.13Å; D11-Q15 WeakPolarHBondContact O-CG 3.45Å; D11-Q15 PolarHBondContact O-N 3.49Å
12A76.6Confident70.8Confident21 Ų2175.3 Ų75.317%0.17438%0.384CS..Hα-helixtrans-66.7-37.5172.400000111A4 Q9 Q15 L16A4-A12 HydrophobicContact CB-CB 3.92Å; Q9-A12 HydrophobicContact CB-CB 3.63Å; Q9-A12 PolarHBondContact O-N 3.45Å; Q9-A12 VanDerWaalsContact O-N 3.12Å; A12-Q15 PolarHBondContact O-N 3.19Å; A12-L16 VanDerWaalsContact O-CB 3.31Å; A12-L16 WeakPolarHBondContact O-CB 3.48Å; A12-L16 WeakPolarHBondContact O-CD1 3.37Å; A12-L16 WeakPolarHBondContact O-CG 3.35Å; A12-L16 PolarHBondContact O-N 3.2Å
13V71.5Confident70.7Confident0 Ų075.4 Ų75.40%039%0.386CS..Hα-helixtrans-63.5-44.9173.1171.50000110.8M1 A4 V5 Q9 S10 D11 Q15 L16 L17 L54 L57M1-V13 HydrophobicContact CE-CG1 3.65Å; M1-V13 HydrophobicContact SD-CG1 4.46Å; A4-V13 HydrophobicContact CB-CG2 3.83Å; V5-V13 HydrophobicContact CG2-CG2 3.67Å; Q9-V13 WeakPolarHBondContact O-CG2 3.47Å; Q9-V13 PolarHBondContact O-N 3.3Å; S10-V13 PolarHBondContact O-N 3.2Å; D11-V13 VanDerWaalsContact C-N 3.32Å; V13-Q15 PolarHBondContact O-N 3.25Å; V13-L16 PolarHBondContact O-N 3.29Å; V13-L17 HydrophobicContact CG1-CD1 3.97Å; V13-L17 HydrophobicContact CG1-CG 4.47Å; V13-L17 WeakPolarHBondContact O-CB 3.26Å; V13-L17 VanDerWaalsContact O-CG 3.24Å; V13-L17 WeakPolarHBondContact O-CG 3.5Å; V13-L17 PolarHBondContact O-N 3.46Å; V13-L54 HydrophobicContact CG2-CD1 4.1Å; V13-L54 HydrophobicContact CG2-CG 4.48Å; V13-L57 HydrophobicContact CG1-CD1 4.46Å
14R74.8Confident70.4Confident101 Ų10172.1 Ų72.138%0.38137%0.369SS..Hα-helixtrans-59.3-43.6173-78.1173.5-176.9162.9-2.4112.4S10 D11 R18 L57S10-R14 WeakPolarHBondContact O-CG 3.49Å; S10-R14 PolarHBondContact O-N 3.39Å; D11-R14 PolarHBondContact O-N 3.1Å; D11-R14 IonicContact OD1-NH1 2.7Å; D11-R14 PolarHBondContact OD1-NH1 3.13Å; R14-R18 WeakPolarHBondContact O-CG 3.49Å; R14-R18 PolarHBondContact O-N 3.28Å; R14-L57 HydrophobicContact CG-CD1 3.78Å; R14-L57 HydrophobicContact CG-CD2 3.78Å; R14-L57 HydrophobicContact CG-CG 4.45Å
15Q75.3Confident69.6Low126 Ų12674 Ų7459%0.58938%0.384SS*.Hα-helixtrans-65.6-41.4177.1-75.4-179-3.300112D11 A12 V13 R18 L19D11-Q15 WeakPolarHBondContact O-CG 3.45Å; D11-Q15 PolarHBondContact O-N 3.49Å; A12-Q15 PolarHBondContact O-N 3.19Å; V13-Q15 PolarHBondContact O-N 3.25Å; Q15-R18 WeakPolarHBondContact O-CB 3.47Å; Q15-R18 PolarHBondContact O-N 3.12Å; Q15-L19 VanDerWaalsContact O-CG 3.3Å; Q15-L19 WeakPolarHBondContact O-CG 3.47Å; Q15-L19 PolarHBondContact O-N 2.95Å; Q15-L19 VanDerWaalsContact O-N 3.1Å
16L70.9Confident68.8Low48 Ų4882.1 Ų82.125%0.25142%0.42SS..Hα-helixtrans-69.7-35.1178.1-72.1164.7000112.6M1 A4 A12 V13 L19 A21M1-L16 HydrophobicContact SD-CB 3.77Å; M1-L16 HydrophobicContact SD-CD1 4.35Å; A4-L16 HydrophobicContact CB-CD1 3.49Å; A4-L16 VanDerWaalsContact CB-CD1 3.49Å; A12-L16 VanDerWaalsContact O-CB 3.31Å; A12-L16 WeakPolarHBondContact O-CB 3.48Å; A12-L16 WeakPolarHBondContact O-CD1 3.37Å; A12-L16 WeakPolarHBondContact O-CG 3.35Å; A12-L16 PolarHBondContact O-N 3.2Å; V13-L16 PolarHBondContact O-N 3.29Å; L16-L19 PolarHBondContact O-N 3.15Å; L16-A21 HydrophobicContact CB-CB 4.15Å; L16-A21 HydrophobicContact CD2-CB 4.45Å; L16-A21 WeakPolarHBondContact O-CB 3.48Å; L16-A21 PolarHBondContact O-N 2.92Å; L16-A21 VanDerWaalsContact O-N 3.09Å
17L69.2Low67.8Low22 Ų2280.5 Ų80.512%0.11542%0.419CS..Hα-helixtrans-65.2-37.8171.2-72.4168.4000111.6M1 V13 L19 N20 V23 L57 Q61M1-L17 HydrophobicContact CE-CD1 4.26Å; M1-L17 HydrophobicContact CE-CD2 3.6Å; M1-L17 HydrophobicContact CE-CG 3.72Å; V13-L17 HydrophobicContact CG1-CD1 3.97Å; V13-L17 HydrophobicContact CG1-CG 4.47Å; V13-L17 WeakPolarHBondContact O-CB 3.26Å; V13-L17 VanDerWaalsContact O-CG 3.24Å; V13-L17 WeakPolarHBondContact O-CG 3.5Å; V13-L17 PolarHBondContact O-N 3.46Å; L17-L19 PolarHBondContact O-N 3.17Å; L17-N20 PolarHBondContact O-N 3.43Å; L17-V23 HydrophobicContact CD2-CG2 3.91Å; L17-L57 HydrophobicContact CD1-CB 4.07Å; L17-Q61 HydrophobicContact CD2-CB 4.33Å; L17-Q61 HydrophobicContact CD2-CG 4.25Å
18R72Confident66.2Low209 Ų20985.3 Ų85.379%0.78944%0.436SS*.Hα-helixtrans-66.4-23.9172.1-73.8177.2-176.9177.41.4113.4R14 Q15 N20R14-R18 WeakPolarHBondContact O-CG 3.49Å; R14-R18 PolarHBondContact O-N 3.28Å; Q15-R18 WeakPolarHBondContact O-CB 3.47Å; Q15-R18 PolarHBondContact O-N 3.12Å; R18-N20 VanDerWaalsContact C-N 3.33Å
19L70.2Confident65Low134 Ų13485.1 Ų85.170%0.70244%0.438SS*.THydrogen-bonded Turntrans-90.213.4178.6-70.9165.3000113.4Q15 L16 L17 A21Q15-L19 VanDerWaalsContact O-CG 3.3Å; Q15-L19 WeakPolarHBondContact O-CG 3.47Å; Q15-L19 PolarHBondContact O-N 2.95Å; Q15-L19 VanDerWaalsContact O-N 3.1Å; L16-L19 PolarHBondContact O-N 3.15Å; L17-L19 PolarHBondContact O-N 3.17Å; L19-A21 PolarHBondContact O-N 3.07Å
20N65.6Low62.8Low148 Ų14886.3 Ų86.379%0.79145%0.453SS*.THydrogen-bonded Turntrans52.134.4-175-79.7-11.3000113.4L17 R18 D22L17-N20 PolarHBondContact O-N 3.43Å; R18-N20 VanDerWaalsContact C-N 3.33Å; N20-D22 PolarHBondContact O-N 3.14Å
21A60.3Low61.1Low28 Ų2894.1 Ų94.123%0.23148%0.478CS..  trans-64.8127.217500000110.1L16 L19 V23L16-A21 HydrophobicContact CB-CB 4.15Å; L16-A21 HydrophobicContact CD2-CB 4.45Å; L16-A21 WeakPolarHBondContact O-CB 3.48Å; L16-A21 PolarHBondContact O-N 2.92Å; L16-A21 VanDerWaalsContact O-N 3.09Å; L19-A21 PolarHBondContact O-N 3.07Å; A21-V23 PolarHBondContact O-N 3.2Å
22D63.3Low59Low108 Ų10897.4 Ų97.458%0.57849%0.494SS*.  trans-58.9110.6-176.3-163.5-6.5000111.4N20 N24 A25N20-D22 PolarHBondContact O-N 3.14Å; D22-N24 PolarHBondContact O-N 3.33Å; D22-N24 PolarHBondContact OD1-N 3.42Å; D22-A25 HydrophobicContact CB-CB 4.49Å; D22-A25 WeakPolarHBondContact O-CB 3.31Å; D22-A25 PolarHBondContact O-N 3.38Å
23V61.9Low56.8Low20 Ų20102.8 Ų102.812%0.12152%0.519CS..THydrogen-bonded Turntrans-67.8-13.7-176.7-169.40000111.1L17 A21 P42 L58L17-V23 HydrophobicContact CD2-CG2 3.91Å; A21-V23 PolarHBondContact O-N 3.2Å; V23-P42 WeakPolarHBondContact O-CD 3.37Å; V23-P42 VanDerWaalsContact O-CG 3.26Å; V23-P42 WeakPolarHBondContact O-CG 3.47Å; V23-L58 HydrophobicContact CG1-CD2 3.93Å
24N62.3Low55.1Low70 Ų70108 Ų10837%0.37456%0.555SS.*THydrogen-bonded Turntrans-1047179.7-67.9-40000114.3D22 K26D22-N24 PolarHBondContact O-N 3.33Å; D22-N24 PolarHBondContact OD1-N 3.42Å; N24-K26 PolarHBondContact O-N 3.37Å; N24-K26 VanDerWaalsContact O-N 3.15Å
25A56.1Low53.1Low47 Ų47111 Ų11139%0.38858%0.579SS.*  trans-59.1120-178.700000111.5Q2 D22Q2-A25 PolarHBondContact NE2-O 3.19Å; D22-A25 HydrophobicContact CB-CB 4.49Å; D22-A25 WeakPolarHBondContact O-CB 3.31Å; D22-A25 PolarHBondContact O-N 3.38Å
26K55.4Low51.5Low172 Ų172112.8 Ų112.875%0.74859%0.585SS**  trans-85.9120.1174.2-65174.9-178.31730108.6N24N24-K26 PolarHBondContact O-N 3.37Å; N24-K26 VanDerWaalsContact O-N 3.15Å
27S49Very low50Low54 Ų54122.1 Ų122.138%0.37862%0.617SS.*  trans-116.9131.8168.280.30000111.8Q2 V29Q2-S27 PolarHBondContact OE1-OG 3.17Å; S27-V29 PolarHBondContact O-N 3.37Å
28L39Very low49.2Very low160 Ų160126 Ų12684%0.83864%0.636SS**  trans-78.495.4172-90.9149.9000107.9
29V45.7Very low48.4Very low73 Ų73119.4 Ų119.444%0.44262%0.619SS.*  trans-103.3110.5173.2-178.50000109.1S27S27-V29 PolarHBondContact O-N 3.37Å
30T31.2Very low48Very low137 Ų137115.2 Ų115.284%0.8460%0.597SS**  trans-68.1116.6170.226.80000110.7
31Y35.4Very low48.2Very low200 Ų200109.8 Ų109.878%0.78457%0.566SS**  trans-112.5131.3168-144-96.6000108.8L33Y31-L33 VanDerWaalsContact C-N 3.31Å; Y31-L33 PolarHBondContact O-N 3.26Å
32I32.7Very low48.7Very low168 Ų168108.5 Ų108.586%0.86256%0.556SS**SBendtrans-838.9-166.7-76.8172.4000114.1
33L31Very low49.3Very low134 Ų134104.1 Ų104.170%0.70253%0.532SS*.SBendtrans-120.1111.5-179.7-69.5165.4000110.9Y31Y31-L33 VanDerWaalsContact C-N 3.31Å; Y31-L33 PolarHBondContact O-N 3.26Å
34S35.3Very low50Low108 Ų108103.2 Ų103.276%0.75553%0.527SS*.SBendtrans68.799172.173.60000117.9F36S34-F36 VanDerWaalsContact C-N 3.33Å; S34-F36 PolarHBondContact O-N 3.12Å
35N33.9Very low50.6Low165 Ų165100.1 Ų100.188%0.88251%0.51SS*.SBendtrans38.410.1142.3-81.5-13.3000124.4
36F40.8Very low51.6Low163 Ų16397.9 Ų97.972%0.71549%0.491SS*.  trans-132.5115.1178.3-82.1-85.7000114.4S34 M38S34-F36 VanDerWaalsContact C-N 3.33Å; S34-F36 PolarHBondContact O-N 3.12Å; F36-M38 PolarHBondContact O-N 2.91Å
37R39.6Very low52.8Low244 Ų24489.7 Ų89.792%0.92146%0.456SS*.  trans-67.4105.7165.3-69.7179.5177.9175.7-1108.9
38M52.1Low54.2Low104 Ų10491.9 Ų91.951%0.51246%0.463SS..  trans-109.1131.4179.2-78.3-160.8165.800112.9F36 L40F36-M38 PolarHBondContact O-N 2.91Å; M38-L40 HydrophobicContact CB-CD1 4.46Å
39T56.5Low55.9Low71 Ų7186.9 Ų86.944%0.43644%0.437SS..  trans-108.587.1176.750.10000110.2N69T39-N69 PolarHBondContact N-OD1 2.95Å; T39-N69 WeakPolarHBondContact O-CB 3.25Å; T39-N69 PolarHBondContact O-ND2 3.07Å; T39-N69 PolarHBondContact O-OD1 3.01Å; T39-N69 PolarHBondContact OG1-OD1 3.28Å
40L60.8Low57.5Low45 Ų4590.5 Ų90.524%0.23644%0.443CS..  trans-88.1134.4-175.4-73.9146.7000111.7Q2 M38 H44 I45 N69Q2-L40 PolarHBondContact NE2-O 2.93Å; M38-L40 HydrophobicContact CB-CD1 4.46Å; L40-H44 HydrophobicContact CD2-CB 3.98Å; L40-I45 HydrophobicContact CB-CD1 4.08Å; L40-I45 HydrophobicContact CB-CG1 3.83Å; L40-I45 HydrophobicContact CD2-CG1 4.49Å; L40-N69 VanDerWaalsContact CD2-ND2 3.29Å; L40-N69 WeakPolarHBondContact CD2-ND2 3.42Å; L40-N69 WeakPolarHBondContact CG-ND2 3.32Å
41F70.6Confident59.8Low34 Ų3485.3 Ų85.315%0.14941%0.41CS..  trans-85.2156.1166.9-64.6-97.7000110.6L43 H44 I45 A67F41-L43 PolarHBondContact O-N 3.49Å; F41-L43 VanDerWaalsContact O-N 3.17Å; F41-H44 WeakPolarHBondContact CB-ND1 3.42Å; F41-H44 AromaticContact CD2-CE1 3.61Å; F41-H44 AromaticContact CD2-ND1 3.55Å; F41-H44 AromaticContact CG-ND1 3.9Å; F41-H44 WeakPolarHBondContact O-CB 3.07Å; F41-H44 PolarHBondContact O-N 3.33Å; F41-I45 WeakPolarHBondContact O-CG1 3.34Å; F41-I45 PolarHBondContact O-N 3.48Å; F41-A67 HydrophobicContact CD2-CB 4.12Å; F41-A67 HydrophobicContact CE1-CB 4.38Å; F41-A67 HydrophobicContact CE2-CB 3.96Å; F41-A67 HydrophobicContact CG-CB 4.41Å; F41-A67 HydrophobicContact CZ-CB 4.1Å
42P69.9Low61.7Low2 Ų276.4 Ų76.41%0.01338%0.378CS..Hα-helixtrans-52.4-36.7175.4-2937.3000114Q2 V5 V23 I45 A46 L58Q2-P42 HydrophobicContact CG-CG 3.94Å; V5-P42 HydrophobicContact CG2-CB 4.37Å; V23-P42 WeakPolarHBondContact O-CD 3.37Å; V23-P42 VanDerWaalsContact O-CG 3.26Å; V23-P42 WeakPolarHBondContact O-CG 3.47Å; P42-I45 PolarHBondContact O-N 3.24Å; P42-A46 WeakPolarHBondContact O-CB 3.28Å; P42-A46 PolarHBondContact O-N 3.34Å; P42-L58 HydrophobicContact CB-CD1 4.2Å; P42-L58 HydrophobicContact CB-CD2 4.11Å
43L76.7Confident63.8Low16 Ų1672.3 Ų72.38%0.08436%0.355CS..Hα-helixtrans-67.3-37.9177.6-156.591000112.3F41 C47 L55 L58 P74F41-L43 PolarHBondContact O-N 3.49Å; F41-L43 VanDerWaalsContact O-N 3.17Å; L43-C47 PolarHBondContact O-N 3.37Å; L43-C47 VanDerWaalsContact O-N 3.08Å; L43-C47 PolarHBondContact O-SG 3.44Å; L43-L55 HydrophobicContact CD1-CD1 3.96Å; L43-L55 HydrophobicContact CG-CD1 4.24Å; L43-L58 HydrophobicContact CD1-CB 4.12Å; L43-P74 HydrophobicContact CD2-CB 3.51Å; L43-P74 HydrophobicContact CD2-CG 3.4Å; L43-P74 HydrophobicContact CG-CB 4.3Å; L43-P74 HydrophobicContact CG-CG 4.44Å
44H76.6Confident65.8Low1 Ų165.9 Ų65.91%0.00532%0.321CS..Hα-helixtrans-66.3-39.7172.6-65.885.2000111.5L40 F41 C47 L48 A67 Q72L40-H44 HydrophobicContact CD2-CB 3.98Å; F41-H44 WeakPolarHBondContact CB-ND1 3.42Å; F41-H44 AromaticContact CD2-CE1 3.61Å; F41-H44 AromaticContact CD2-ND1 3.55Å; F41-H44 AromaticContact CG-ND1 3.9Å; F41-H44 WeakPolarHBondContact O-CB 3.07Å; F41-H44 PolarHBondContact O-N 3.33Å; H44-C47 PolarHBondContact O-N 2.77Å; H44-L48 WeakPolarHBondContact O-CB 3.45Å; H44-L48 PolarHBondContact O-N 3.15Å; H44-A67 PolarHBondContact CE1-O 2.85Å; H44-A67 PolarHBondContact NE2-O 2.89Å; H44-Q72 PolarHBondContact NE2-O 3.43Å
45I75.2Confident67.8Low4 Ų460.8 Ų60.82%0.02129%0.285CS..Hα-helixtrans-67.9-39.5178.3-57.5165.8000110.4Q2 V5 K6 L40 F41 P42 L48 N49Q2-I45 HydrophobicContact CB-CD1 4.48Å; V5-I45 HydrophobicContact CG1-CB 3.8Å; V5-I45 HydrophobicContact CG1-CG2 3.67Å; K6-I45 HydrophobicContact CG-CD1 4.24Å; K6-I45 HydrophobicContact CG-CG2 3.98Å; L40-I45 HydrophobicContact CB-CD1 4.08Å; L40-I45 HydrophobicContact CB-CG1 3.83Å; L40-I45 HydrophobicContact CD2-CG1 4.49Å; F41-I45 WeakPolarHBondContact O-CG1 3.34Å; F41-I45 PolarHBondContact O-N 3.48Å; P42-I45 PolarHBondContact O-N 3.24Å; I45-L48 WeakPolarHBondContact O-CB 3.32Å; I45-L48 PolarHBondContact O-N 3Å; I45-N49 WeakPolarHBondContact O-CB 3.45Å; I45-N49 PolarHBondContact O-N 3.03Å
46A76.9Confident69.8Low0 Ų058.3 Ų58.30%026%0.264CS..Hα-helixtrans-63.6-41175.600000112.7P42 L48 R50 N51 L54 L55 L58P42-A46 WeakPolarHBondContact O-CB 3.28Å; P42-A46 PolarHBondContact O-N 3.34Å; A46-L48 VanDerWaalsContact C-N 3.34Å; A46-R50 PolarHBondContact O-N 3.35Å; A46-N51 PolarHBondContact O-N 3.22Å; A46-L54 HydrophobicContact CB-CD2 3.5Å; A46-L55 HydrophobicContact CB-CB 4.39Å; A46-L55 HydrophobicContact CB-CD1 4.19Å; A46-L58 HydrophobicContact CB-CD1 3.57Å
47C79.8Confident71.4Confident0 Ų051.8 Ų51.80%024%0.236CC..Hα-helixtrans-66.1-37173.1-63.90000111.7L43 H44 V77 T81L43-C47 PolarHBondContact O-N 3.37Å; L43-C47 VanDerWaalsContact O-N 3.08Å; L43-C47 PolarHBondContact O-SG 3.44Å; H44-C47 PolarHBondContact O-N 2.77Å; C47-V77 HydrophobicContact CB-CB 3.98Å; C47-V77 HydrophobicContact CB-CG1 3.67Å; C47-T81 VanDerWaalsContact O-CG2 3.25Å; C47-T81 WeakPolarHBondContact O-CG2 3.25Å
48L78Confident73Confident101 Ų10140.2 Ų40.253%0.52919%0.193SC..Hα-helixtrans-68.6-41178.3-163.797.4000112.3H44 I45 A46 R50 V77H44-L48 WeakPolarHBondContact O-CB 3.45Å; H44-L48 PolarHBondContact O-N 3.15Å; I45-L48 WeakPolarHBondContact O-CB 3.32Å; I45-L48 PolarHBondContact O-N 3Å; A46-L48 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 3.16Å; L48-V77 HydrophobicContact CB-CG1 4.31Å; L48-V77 HydrophobicContact CD1-CG1 4.32Å
49N75.9Confident73.8Confident54 Ų5436.4 Ų36.429%0.28918%0.175SC..THydrogen-bonded Turntrans-76.9-1.4-179.3-75.85.4000113.7V5 I45 N51V5-N49 PolarHBondContact O-ND2 3.35Å; I45-N49 WeakPolarHBondContact O-CB 3.45Å; I45-N49 PolarHBondContact O-N 3.03Å; N49-N51 PolarHBondContact O-N 2.93Å; N49-N51 VanDerWaalsContact O-N 3.09Å
50R78.8Confident74.5Confident150 Ų15040.6 Ų40.657%0.56619%0.19SC*.THydrogen-bonded Turntrans56.524.2-179.2-58.9-180-171.6178.4-0.7114.1A46 L48 A52 T81 E83A46-R50 PolarHBondContact O-N 3.35Å; L48-R50 PolarHBondContact O-N 3.16Å; R50-A52 PolarHBondContact O-N 3.17Å; R50-T81 HydrophobicContact CG-CG2 4.24Å; R50-E83 WeakPolarHBondContact CB-OE1 3.46Å
51N78.5Confident74.7Confident27 Ų2743.8 Ų43.814%0.14420%0.204CC..  trans-96.296.7-175-170.1-23.7000110.5D8 A46 N49 E53 L54 L55D8-N51 VanDerWaalsContact CG-ND2 3.26Å; D8-N51 WeakPolarHBondContact OD1-CB 3.37Å; D8-N51 PolarHBondContact OD1-ND2 3.3Å; D8-N51 PolarHBondContact OD2-ND2 3.13Å; A46-N51 PolarHBondContact O-N 3.22Å; N49-N51 PolarHBondContact O-N 2.93Å; N49-N51 VanDerWaalsContact O-N 3.09Å; N51-E53 VanDerWaalsContact C-N 3.32Å; N51-E53 PolarHBondContact O-N 3.13Å; N51-E53 WeakPolarHBondContact OD1-CB 3.36Å; N51-E53 PolarHBondContact OD1-N 3.33Å; N51-E53 VanDerWaalsContact OD1-N 3.1Å; N51-L54 HydrophobicContact CB-CB 3.8Å; N51-L54 PolarHBondContact O-N 2.86Å; N51-L54 PolarHBondContact OD1-N 3.46Å; N51-L55 WeakPolarHBondContact O-CB 3.37Å; N51-L55 PolarHBondContact O-N 3.42Å
52A75.5Confident74.2Confident14 Ų1443 Ų4312%0.11620%0.202CC..Hα-helixtrans-62.8-33.8179.200000113.4R50 R56 L86 L89R50-A52 PolarHBondContact O-N 3.17Å; A52-R56 VanDerWaalsContact O-CG 3.27Å; A52-R56 WeakPolarHBondContact O-CG 3.32Å; A52-R56 PolarHBondContact O-N 3.49Å; A52-L86 HydrophobicContact CB-CD2 4.42Å; A52-L89 HydrophobicContact CB-CD1 4.01Å
53E77.3Confident73.7Confident81 Ų8148.6 Ų48.638%0.37924%0.238SC..Hα-helixtrans-69-44.4176.5-80.5-63.3129.800111.3N51 L55 R56 L57N51-E53 VanDerWaalsContact C-N 3.32Å; N51-E53 PolarHBondContact O-N 3.13Å; N51-E53 WeakPolarHBondContact OD1-CB 3.36Å; N51-E53 PolarHBondContact OD1-N 3.33Å; N51-E53 VanDerWaalsContact OD1-N 3.1Å; E53-L55 VanDerWaalsContact C-N 3.35Å; E53-R56 WeakPolarHBondContact O-CB 3.33Å; E53-R56 PolarHBondContact O-N 3.49Å; E53-R56 IonicContact OE1-CZ 2.76Å; E53-R56 IonicContact OE1-NH1 3.67Å; E53-R56 PolarHBondContact OE1-NH1 2.67Å; E53-L57 WeakPolarHBondContact O-CG 3.42Å; E53-L57 PolarHBondContact O-N 2.91Å
54L74.2Confident73.2Confident0 Ų052.3 Ų52.30%026%0.259CS..Hα-helixtrans-68.7-36178.1-163.8146.4000111.6V5 V13 A46 N51 L57 L58V5-L54 HydrophobicContact CB-CD2 4.24Å; V5-L54 HydrophobicContact CG1-CD2 3.56Å; V5-L54 HydrophobicContact CG2-CD2 4.04Å; V13-L54 HydrophobicContact CG2-CD1 4.1Å; V13-L54 HydrophobicContact CG2-CG 4.48Å; A46-L54 HydrophobicContact CB-CD2 3.5Å; N51-L54 HydrophobicContact CB-CB 3.8Å; N51-L54 PolarHBondContact O-N 2.86Å; N51-L54 PolarHBondContact OD1-N 3.46Å; L54-L57 PolarHBondContact O-N 3.48Å; L54-L58 HydrophobicContact CD2-CD1 3.62Å; L54-L58 HydrophobicContact CD2-CG 4.39Å; L54-L58 WeakPolarHBondContact O-CG 3.5Å; L54-L58 PolarHBondContact O-N 2.76Å; L54-L58 VanDerWaalsContact O-N 3.15Å
55L75.5Confident72.8Confident0 Ų053.7 Ų53.70%027%0.268CS..Hα-helixtrans-64.2-44170.8-174.167.5000111.3L43 A46 N51 E53 L57 L58 V59 L86 L89 L90L43-L55 HydrophobicContact CD1-CD1 3.96Å; L43-L55 HydrophobicContact CG-CD1 4.24Å; A46-L55 HydrophobicContact CB-CB 4.39Å; A46-L55 HydrophobicContact CB-CD1 4.19Å; N51-L55 WeakPolarHBondContact O-CB 3.37Å; N51-L55 PolarHBondContact O-N 3.42Å; E53-L55 VanDerWaalsContact C-N 3.35Å; L55-L57 VanDerWaalsContact C-N 3.33Å; L55-L57 PolarHBondContact O-N 3.06Å; L55-L58 PolarHBondContact O-N 2.89Å; L55-L58 VanDerWaalsContact O-N 3.17Å; L55-V59 HydrophobicContact CD1-CG2 3.99Å; L55-V59 HydrophobicContact CG-CG2 3.85Å; L55-V59 VanDerWaalsContact O-CB 3.28Å; L55-V59 WeakPolarHBondContact O-CB 3.28Å; L55-V59 WeakPolarHBondContact O-CG2 3.2Å; L55-V59 PolarHBondContact O-N 2.89Å; L55-L86 HydrophobicContact CB-CD2 4.43Å; L55-L86 HydrophobicContact CD2-CB 4.29Å; L55-L86 HydrophobicContact CD2-CD2 3.63Å; L55-L89 HydrophobicContact CD2-CB 3.97Å; L55-L89 HydrophobicContact CD2-CD1 4.18Å; L55-L90 HydrophobicContact CD2-CG 4.36Å
56R76.2Confident72.7Confident113 Ų11355.6 Ų55.643%0.42628%0.278SS..Hα-helixtrans-54.7-47.8174.5-78.5169.9-172.2174.9-1.3111.7A52 E53 L58 V59 E60 L89A52-R56 VanDerWaalsContact O-CG 3.27Å; A52-R56 WeakPolarHBondContact O-CG 3.32Å; A52-R56 PolarHBondContact O-N 3.49Å; E53-R56 WeakPolarHBondContact O-CB 3.33Å; E53-R56 PolarHBondContact O-N 3.49Å; E53-R56 IonicContact OE1-CZ 2.76Å; E53-R56 IonicContact OE1-NH1 3.67Å; E53-R56 PolarHBondContact OE1-NH1 2.67Å; R56-L58 VanDerWaalsContact C-N 3.29Å; R56-L58 PolarHBondContact O-N 2.97Å; R56-V59 PolarHBondContact O-N 3.22Å; R56-E60 PolarHBondContact O-N 3.24Å; R56-L89 HydrophobicContact CG-CD1 3.94Å; R56-L89 HydrophobicContact CG-CD2 3.69Å; R56-L89 HydrophobicContact CG-CG 4.49Å
57L74.5Confident72.5Confident26 Ų2656.2 Ų56.214%0.13628%0.283CS..Hα-helixtrans-61.8-33.8179-69.1169.7000113.3V13 R14 L17 E53 L54 L55V13-L57 HydrophobicContact CG1-CD1 4.46Å; R14-L57 HydrophobicContact CG-CD1 3.78Å; R14-L57 HydrophobicContact CG-CD2 3.78Å; R14-L57 HydrophobicContact CG-CG 4.45Å; L17-L57 HydrophobicContact CD1-CB 4.07Å; E53-L57 WeakPolarHBondContact O-CG 3.42Å; E53-L57 PolarHBondContact O-N 2.91Å; L54-L57 PolarHBondContact O-N 3.48Å; L55-L57 VanDerWaalsContact C-N 3.33Å; L55-L57 PolarHBondContact O-N 3.06Å
58L73.6Confident72.1Confident1 Ų161.9 Ų61.91%0.00531%0.308CS..Hα-helixtrans-82.4-32.7177.8-70.3171.1000113.1M1 V5 V23 P42 L43 A46 L54 L55 R56 E60 Q61 S62M1-L58 HydrophobicContact CE-CD2 3.47Å; M1-L58 VanDerWaalsContact CE-CD2 3.47Å; V5-L58 HydrophobicContact CG2-CD1 4.5Å; V23-L58 HydrophobicContact CG1-CD2 3.93Å; P42-L58 HydrophobicContact CB-CD1 4.2Å; P42-L58 HydrophobicContact CB-CD2 4.11Å; L43-L58 HydrophobicContact CD1-CB 4.12Å; A46-L58 HydrophobicContact CB-CD1 3.57Å; L54-L58 HydrophobicContact CD2-CD1 3.62Å; L54-L58 HydrophobicContact CD2-CG 4.39Å; L54-L58 WeakPolarHBondContact O-CG 3.5Å; L54-L58 PolarHBondContact O-N 2.76Å; L54-L58 VanDerWaalsContact O-N 3.15Å; L55-L58 PolarHBondContact O-N 2.89Å; L55-L58 VanDerWaalsContact O-N 3.17Å; R56-L58 VanDerWaalsContact C-N 3.29Å; R56-L58 PolarHBondContact O-N 2.97Å; L58-E60 VanDerWaalsContact C-N 3.32Å; L58-E60 PolarHBondContact O-N 2.96Å; L58-Q61 PolarHBondContact O-N 3.49Å; L58-S62 WeakPolarHBondContact O-CB 3.27Å; L58-S62 PolarHBondContact O-N 2.9Å; L58-S62 PolarHBondContact O-OG 3.47Å
59V69.9Low71.7Confident25 Ų2557.4 Ų57.415%0.15228%0.284CS..Hα-helixtrans-66.9-32-178.8164.50000111.6L55 R56 Q61 L93L55-V59 HydrophobicContact CD1-CG2 3.99Å; L55-V59 HydrophobicContact CG-CG2 3.85Å; L55-V59 VanDerWaalsContact O-CB 3.28Å; L55-V59 WeakPolarHBondContact O-CB 3.28Å; L55-V59 WeakPolarHBondContact O-CG2 3.2Å; L55-V59 PolarHBondContact O-N 2.89Å; R56-V59 PolarHBondContact O-N 3.22Å; V59-Q61 VanDerWaalsContact C-N 3.26Å; V59-Q61 PolarHBondContact O-N 2.82Å; V59-L93 HydrophobicContact CB-CD1 4.36Å; V59-L93 HydrophobicContact CG1-CD1 3.97Å; V59-L93 HydrophobicContact CG1-CD2 4.03Å; V59-L93 HydrophobicContact CG1-CG 3.91Å; V59-L93 HydrophobicContact CG2-CD1 3.86Å
60E70.2Confident71.3Confident159 Ų15957.2 Ų57.274%0.74329%0.285SS*.THydrogen-bonded Turntrans-70-19.5178-72.2178.1175.600114R56 L58R56-E60 PolarHBondContact O-N 3.24Å; L58-E60 VanDerWaalsContact C-N 3.32Å; L58-E60 PolarHBondContact O-N 2.96Å
61Q64.9Low71Confident112 Ų11250.9 Ų50.952%0.52327%0.267SS..THydrogen-bonded Turntrans-121.4-4.2-168.5-70.9-90.3-16.900113.9L17 L58 V59L17-Q61 HydrophobicContact CD2-CB 4.33Å; L17-Q61 HydrophobicContact CD2-CG 4.25Å; L58-Q61 PolarHBondContact O-N 3.49Å; V59-Q61 VanDerWaalsContact C-N 3.26Å; V59-Q61 PolarHBondContact O-N 2.82Å
62S60.5Low70.9Confident16 Ų1652.9 Ų52.911%0.11228%0.275CS..  trans-111.6114.1-173.155.70000113.5L58 N64L58-S62 WeakPolarHBondContact O-CB 3.27Å; L58-S62 PolarHBondContact O-N 2.9Å; L58-S62 PolarHBondContact O-OG 3.47Å; S62-N64 PolarHBondContact O-N 3.36Å
63P59.5Low71.3Confident120 Ų12052.2 Ų52.278%0.77927%0.27SS*.  trans-81.1-6.6179.129.3-33.5000114.8
64N66.6Low71.5Confident95 Ų9548.4 Ų48.451%0.50825%0.252SS..  trans-113.682.7-169.4-154.6-8.3000113S62 N66S62-N64 PolarHBondContact O-N 3.36Å; N64-N66 PolarHBondContact O-N 2.9Å
65C67Low72.1Confident30 Ų3048.5 Ų48.520%0.20325%0.252CS..THydrogen-bonded Turntrans-74.3-17.5-174.860.90000115.1P74 L93C65-P74 WeakPolarHBondContact O-CD 3.37Å; C65-L93 HydrophobicContact CB-CB 4.15Å
66N73Confident72.6Confident44 Ų4448.5 Ų48.524%0.23525%0.252CS..THydrogen-bonded Turntrans-109.722.1-174.3-75.3-26.4000113.7N64 K68 D96N64-N66 PolarHBondContact O-N 2.9Å; N66-K68 PolarHBondContact O-N 3.46Å; N66-D96 PolarHBondContact ND2-OD2 2.87Å; N66-D96 PolarHBondContact OD1-N 3.38Å
67A72.4Confident73Confident13 Ų1343.5 Ų43.511%0.10723%0.234CC..  trans-60.2128178.900000111.7F41 H44 P74F41-A67 HydrophobicContact CD2-CB 4.12Å; F41-A67 HydrophobicContact CE1-CB 4.38Å; F41-A67 HydrophobicContact CE2-CB 3.96Å; F41-A67 HydrophobicContact CG-CB 4.41Å; F41-A67 HydrophobicContact CZ-CB 4.1Å; H44-A67 PolarHBondContact CE1-O 2.85Å; H44-A67 PolarHBondContact NE2-O 2.89Å; A67-P74 WeakPolarHBondContact O-CD 3.43Å
68K72.9Confident73.5Confident119 Ų11942.3 Ų42.352%0.51723%0.228SC..  trans-96.4123.4-177-62.4-173.6-177.5-171.60111.4N66 Q72 T73N66-K68 PolarHBondContact O-N 3.46Å; K68-Q72 WeakPolarHBondContact CA-O 3.23Å; K68-T73 HydrophobicContact CG-CG2 4.44Å
69N69.7Low74.1Confident6 Ų642.2 Ų42.23%0.03223%0.228CC..BIsolated β-bridgetrans-107.8116.9164.5176.122000108.9T39 L40 G71 Q72T39-N69 PolarHBondContact N-OD1 2.95Å; T39-N69 WeakPolarHBondContact O-CB 3.25Å; T39-N69 PolarHBondContact O-ND2 3.07Å; T39-N69 PolarHBondContact O-OD1 3.01Å; T39-N69 PolarHBondContact OG1-OD1 3.28Å; L40-N69 VanDerWaalsContact CD2-ND2 3.29Å; L40-N69 WeakPolarHBondContact CD2-ND2 3.42Å; L40-N69 WeakPolarHBondContact CG-ND2 3.32Å; N69-G71 PolarHBondContact O-N 3.12Å; N69-Q72 PolarHBondContact N-O 2.88Å; N69-Q72 WeakPolarHBondContact O-CB 3.42Å; N69-Q72 PolarHBondContact O-N 3.25Å
70V67.1Low74.9Confident50 Ų5043.4 Ų43.430%0.30324%0.237SC..THydrogen-bonded Turntrans4931.5-172.7-158.10000112.4K102V70-K102 HydrophobicContact CG1-CD 4.13Å
71G71.3Confident75.5Confident17 Ų1736.9 Ų36.918%0.17521%0.208CC..THydrogen-bonded Turntrans90.2-17-175.500000115.4N69N69-G71 PolarHBondContact O-N 3.12Å
72Q77.8Confident76.2Confident70 Ų7032.3 Ų32.333%0.32719%0.191SC..BIsolated β-bridgetrans-83.6132.3-180-67.1-177.8-15.300112.3H44 K68 N69 H76 D101H44-Q72 PolarHBondContact NE2-O 3.43Å; K68-Q72 WeakPolarHBondContact CA-O 3.23Å; N69-Q72 PolarHBondContact N-O 2.88Å; N69-Q72 WeakPolarHBondContact O-CB 3.42Å; N69-Q72 PolarHBondContact O-N 3.25Å; Q72-H76 HydrophobicContact CB-CB 3.98Å; Q72-H76 HydrophobicContact CG-CB 4.26Å; Q72-D101 HydrophobicContact CG-CB 4.29Å
73T84.1Confident77.2Confident0 Ų034.4 Ų34.40%020%0.199CC..  trans-84.2165.5170.974.30000110.8K68 L75 H76 V77 T99K68-T73 HydrophobicContact CG-CG2 4.44Å; T73-L75 PolarHBondContact O-N 3.17Å; T73-L75 PolarHBondContact OG1-N 3.33Å; T73-H76 PolarHBondContact N-ND1 2.71Å; T73-H76 VanDerWaalsContact O-CB 3.3Å; T73-H76 WeakPolarHBondContact O-CB 3.4Å; T73-H76 PolarHBondContact O-N 3Å; T73-H76 PolarHBondContact OG1-N 2.79Å; T73-H76 PolarHBondContact OG1-ND1 3.49Å; T73-V77 PolarHBondContact O-N 3.18Å; T73-T99 HydrophobicContact CG2-CG2 4.14Å
74P80.6Confident78.2Confident1 Ų132.1 Ų32.11%0.00618%0.178CC..Hα-helixtrans-57.4-31.4173.3-20.332.9000112.1L43 C65 A67 H76 V77 A78L43-P74 HydrophobicContact CD2-CB 3.51Å; L43-P74 HydrophobicContact CD2-CG 3.4Å; L43-P74 HydrophobicContact CG-CB 4.3Å; L43-P74 HydrophobicContact CG-CG 4.44Å; C65-P74 WeakPolarHBondContact O-CD 3.37Å; A67-P74 WeakPolarHBondContact O-CD 3.43Å; P74-H76 VanDerWaalsContact C-N 3.35Å; P74-V77 PolarHBondContact O-N 3.15Å; P74-A78 PolarHBondContact O-N 2.83Å
75L86.6Confident78.9Confident1 Ų133.3 Ų33.31%0.00518%0.181CC..Hα-helixtrans-66.1-32.6173.3-171.764.5000112.7T73 A79 L87 P95 P97 P107 L123 F127T73-L75 PolarHBondContact O-N 3.17Å; T73-L75 PolarHBondContact OG1-N 3.33Å; L75-A79 VanDerWaalsContact O-CB 3.25Å; L75-A79 WeakPolarHBondContact O-CB 3.36Å; L75-A79 PolarHBondContact O-N 3.02Å; L75-L87 HydrophobicContact CD1-CD2 3.94Å; L75-P95 HydrophobicContact CB-CB 4.43Å; L75-P95 HydrophobicContact CD1-CG 4.2Å; L75-P95 HydrophobicContact CD2-CB 4.17Å; L75-P95 HydrophobicContact CD2-CG 4.1Å; L75-P97 HydrophobicContact CD2-CB 4.18Å; L75-P107 HydrophobicContact CB-CG 4.32Å; L75-P107 HydrophobicContact CD2-CB 4.45Å; L75-P107 HydrophobicContact CD2-CG 3.92Å; L75-P107 HydrophobicContact CG-CB 4.13Å; L75-P107 HydrophobicContact CG-CG 3.87Å; L75-L123 HydrophobicContact CD1-CD2 4.26Å; L75-F127 HydrophobicContact CD1-CE1 4.07Å; L75-F127 HydrophobicContact CD1-CZ 4.23Å
76H86.7Confident79.6Confident1 Ų131.9 Ų31.91%0.00517%0.171CC..Hα-helixtrans-65.6-42.2172-68.377.9000111.1Q72 T73 P74 A79 S80 T99 K105 I110Q72-H76 HydrophobicContact CB-CB 3.98Å; Q72-H76 HydrophobicContact CG-CB 4.26Å; T73-H76 PolarHBondContact N-ND1 2.71Å; T73-H76 VanDerWaalsContact O-CB 3.3Å; T73-H76 WeakPolarHBondContact O-CB 3.4Å; T73-H76 PolarHBondContact O-N 3Å; T73-H76 PolarHBondContact OG1-N 2.79Å; T73-H76 PolarHBondContact OG1-ND1 3.49Å; P74-H76 VanDerWaalsContact C-N 3.35Å; H76-A79 PolarHBondContact O-N 2.83Å; H76-S80 WeakPolarHBondContact O-CB 3.42Å; H76-S80 PolarHBondContact O-N 3.34Å; H76-T99 PolarHBondContact CE1-O 3.26Å; H76-T99 PolarHBondContact NE2-O 3.48Å; H76-T99 VanDerWaalsContact NE2-O 3.11Å; H76-K105 PolarHBondContact NE2-O 3.3Å; H76-K105 VanDerWaalsContact NE2-O 3.08Å; H76-I110 HydrophobicContact CB-CD1 3.82Å
77V83.2Confident80.1Confident8 Ų829.9 Ų29.95%0.04816%0.16CC..Hα-helixtrans-67.7-41.9178.4-175.70000110.6C47 L48 T73 P74 S80 T81C47-V77 HydrophobicContact CB-CB 3.98Å; C47-V77 HydrophobicContact CB-CG1 3.67Å; L48-V77 HydrophobicContact CB-CG1 4.31Å; L48-V77 HydrophobicContact CD1-CG1 4.32Å; T73-V77 PolarHBondContact O-N 3.18Å; P74-V77 PolarHBondContact O-N 3.15Å; V77-S80 WeakPolarHBondContact CA-OG 3.44Å; V77-S80 WeakPolarHBondContact O-CA 3.47Å; V77-S80 WeakPolarHBondContact O-CB 3.48Å; V77-S80 PolarHBondContact O-N 2.91Å; V77-S80 VanDerWaalsContact O-N 3.07Å; V77-S80 PolarHBondContact O-OG 2.98Å; V77-T81 PolarHBondContact O-N 2.77Å; V77-T81 VanDerWaalsContact O-N 3.08Å
78A85.5Confident80.5Confident0 Ų035.9 Ų35.90%018%0.18CC..Hα-helixtrans-66.8-36.5175.200000113.4P74 S80 T81 G82 L86 L87 L90P74-A78 PolarHBondContact O-N 2.83Å; A78-S80 PolarHBondContact O-N 3.24Å; A78-T81 PolarHBondContact O-N 3.15Å; A78-T81 PolarHBondContact O-OG1 3.26Å; A78-T81 VanDerWaalsContact O-OG1 3.1Å; A78-G82 PolarHBondContact O-N 3.07Å; A78-L86 HydrophobicContact CB-CB 4.42Å; A78-L87 HydrophobicContact CB-CD2 4.3Å; A78-L90 HydrophobicContact CB-CD1 3.28Å
79A87.1Confident80.9Confident0 Ų031.1 Ų31.10%016%0.16CC..Hα-helixtrans-64.4-30170.500000111.7L75 H76 P107 L116 L123L75-A79 VanDerWaalsContact O-CB 3.25Å; L75-A79 WeakPolarHBondContact O-CB 3.36Å; L75-A79 PolarHBondContact O-N 3.02Å; H76-A79 PolarHBondContact O-N 2.83Å; A79-P107 HydrophobicContact CB-CB 3.83Å; A79-P107 WeakPolarHBondContact CB-O 3.41Å; A79-L116 VanDerWaalsContact O-CD1 3.27Å; A79-L116 WeakPolarHBondContact O-CD1 3.36Å; A79-L123 HydrophobicContact CB-CD1 3.98Å
80S86.1Confident81.4Confident49 Ų4931 Ų3134%0.34316%0.159SC..Hα-helixtrans-75.8-27177.280.50000114.6H76 V77 A78 L114H76-S80 WeakPolarHBondContact O-CB 3.42Å; H76-S80 PolarHBondContact O-N 3.34Å; V77-S80 WeakPolarHBondContact CA-OG 3.44Å; V77-S80 WeakPolarHBondContact O-CA 3.47Å; V77-S80 WeakPolarHBondContact O-CB 3.48Å; V77-S80 PolarHBondContact O-N 2.91Å; V77-S80 VanDerWaalsContact O-N 3.07Å; V77-S80 PolarHBondContact O-OG 2.98Å; A78-S80 PolarHBondContact O-N 3.24Å; S80-L114 VanDerWaalsContact CA-CD1 3.43Å; S80-L114 VanDerWaalsContact O-CD1 3.31Å; S80-L114 WeakPolarHBondContact O-CD1 3.42Å
81T82.8Confident82.1Confident23 Ų2334.6 Ų34.614%0.14117%0.168CC..Hα-helixtrans-85.6-18.2-179.253.40000113.6C47 R50 V77 A78 E83 L86C47-T81 VanDerWaalsContact O-CG2 3.25Å; C47-T81 WeakPolarHBondContact O-CG2 3.25Å; R50-T81 HydrophobicContact CG-CG2 4.24Å; V77-T81 PolarHBondContact O-N 2.77Å; V77-T81 VanDerWaalsContact O-N 3.08Å; A78-T81 PolarHBondContact O-N 3.15Å; A78-T81 PolarHBondContact O-OG1 3.26Å; A78-T81 VanDerWaalsContact O-OG1 3.1Å; T81-E83 PolarHBondContact O-N 3.43Å; T81-L86 WeakPolarHBondContact OG1-CD1 3.22Å
82G78.9Confident82.5Confident16 Ų1641.5 Ų41.517%0.16519%0.194CC..  trans77.8-0.2176.800000114.9A78 E84A78-G82 PolarHBondContact O-N 3.07Å; G82-E84 PolarHBondContact O-N 2.95Å
83E82.2Confident82.3Confident60 Ų6040.3 Ų40.328%0.2819%0.189SC..  trans-84.3114.2-174.6-69.3-163.2166.100112.6R50 T81 Q85 L86 L87R50-E83 WeakPolarHBondContact CB-OE1 3.46Å; T81-E83 PolarHBondContact O-N 3.43Å; E83-Q85 PolarHBondContact O-N 3.43Å; E83-L86 HydrophobicContact CB-CB 4.29Å; E83-L86 HydrophobicContact CB-CD1 3.8Å; E83-L86 HydrophobicContact CB-CG 3.84Å; E83-L86 HydrophobicContact CG-CD1 4.33Å; E83-L86 PolarHBondContact O-N 3.48Å; E83-L86 WeakPolarHBondContact OE2-CD1 3.23Å; E83-L86 WeakPolarHBondContact OE2-CG 3.31Å; E83-L87 PolarHBondContact O-N 3.37Å
84E81.2Confident82.2Confident72 Ų7248.9 Ų48.934%0.33623%0.226SC..Hα-helixtrans-59.1-33.6176.6-57.9-170179.600113G82 L87 R88 I122G82-E84 PolarHBondContact O-N 2.95Å; E84-L87 PolarHBondContact O-N 2.91Å; E84-R88 WeakPolarHBondContact O-CB 3.33Å; E84-R88 WeakPolarHBondContact O-CG 3.26Å; E84-R88 PolarHBondContact O-N 3.35Å; E84-R88 IonicContact OE2-CZ 3.15Å; E84-R88 IonicContact OE2-NH2 3.77Å; E84-R88 PolarHBondContact OE2-NH2 3.33Å; E84-I122 HydrophobicContact CB-CD1 4.18Å; E84-I122 HydrophobicContact CG-CD1 3.68Å
85Q81.6Confident82.1Confident120 Ų12049.2 Ų49.256%0.56123%0.229SC*.Hα-helixtrans-65.4-40.3180-66.1-171.15.900111.5E83 R88 L89E83-Q85 PolarHBondContact O-N 3.43Å; Q85-R88 PolarHBondContact O-N 3.31Å; Q85-L89 VanDerWaalsContact O-CG 3.3Å; Q85-L89 WeakPolarHBondContact O-CG 3.08Å; Q85-L89 PolarHBondContact O-N 3.13Å
86L81.7Confident82Confident0 Ų053.6 Ų53.60%025%0.252CS..Hα-helixtrans-66.8-42.6175.4-59176000111.2A52 L55 A78 T81 E83 R88 L89 L90A52-L86 HydrophobicContact CB-CD2 4.42Å; L55-L86 HydrophobicContact CB-CD2 4.43Å; L55-L86 HydrophobicContact CD2-CB 4.29Å; L55-L86 HydrophobicContact CD2-CD2 3.63Å; A78-L86 HydrophobicContact CB-CB 4.42Å; T81-L86 WeakPolarHBondContact OG1-CD1 3.22Å; E83-L86 HydrophobicContact CB-CB 4.29Å; E83-L86 HydrophobicContact CB-CD1 3.8Å; E83-L86 HydrophobicContact CB-CG 3.84Å; E83-L86 HydrophobicContact CG-CD1 4.33Å; E83-L86 PolarHBondContact O-N 3.48Å; E83-L86 WeakPolarHBondContact OE2-CD1 3.23Å; E83-L86 WeakPolarHBondContact OE2-CG 3.31Å; L86-R88 PolarHBondContact O-N 3.22Å; L86-L89 PolarHBondContact O-N 3.32Å; L86-L90 WeakPolarHBondContact O-CB 3.39Å; L86-L90 WeakPolarHBondContact O-CG 3.47Å; L86-L90 PolarHBondContact O-N 2.83Å
87L82.8Confident81.8Confident1 Ų154.1 Ų54.11%0.00526%0.255CS..Hα-helixtrans-61.1-42.7174.7-73.9168.8000111.6L75 A78 E83 E84 L89 L90 Y91 T119 I122 L123 F127L75-L87 HydrophobicContact CD1-CD2 3.94Å; A78-L87 HydrophobicContact CB-CD2 4.3Å; E83-L87 PolarHBondContact O-N 3.37Å; E84-L87 PolarHBondContact O-N 2.91Å; L87-L89 PolarHBondContact O-N 3.44Å; L87-L90 PolarHBondContact O-N 2.93Å; L87-Y91 WeakPolarHBondContact O-CB 3.26Å; L87-Y91 PolarHBondContact O-N 2.89Å; L87-T119 HydrophobicContact CD1-CG2 3.68Å; L87-I122 HydrophobicContact CB-CG2 4.45Å; L87-I122 HydrophobicContact CD1-CG2 4.24Å; L87-L123 HydrophobicContact CD2-CD2 4.12Å; L87-F127 HydrophobicContact CB-CE2 4.4Å; L87-F127 HydrophobicContact CD2-CE2 4.34Å; L87-F127 HydrophobicContact CD2-CZ 4.48Å; L87-F127 WeakPolarHBondContact O-CZ 3.44Å
88R81.7Confident81.9Confident139 Ų13958 Ų5853%0.52528%0.276SS..Hα-helixtrans-64.2-37.9175.7-71.6174-155.8-173.86.9112.4E84 Q85 L86E84-R88 WeakPolarHBondContact O-CB 3.33Å; E84-R88 WeakPolarHBondContact O-CG 3.26Å; E84-R88 PolarHBondContact O-N 3.35Å; E84-R88 IonicContact OE2-CZ 3.15Å; E84-R88 IonicContact OE2-NH2 3.77Å; E84-R88 PolarHBondContact OE2-NH2 3.33Å; Q85-R88 PolarHBondContact O-N 3.31Å; L86-R88 PolarHBondContact O-N 3.22Å
89L80.3Confident81.8Confident19 Ų1959.3 Ų59.310%0.09928%0.284CS..Hα-helixtrans-70-42.9176.7-72.8171.1000111.8A52 L55 R56 Q85 L86 L87 Y91 K92A52-L89 HydrophobicContact CB-CD1 4.01Å; L55-L89 HydrophobicContact CD2-CB 3.97Å; L55-L89 HydrophobicContact CD2-CD1 4.18Å; R56-L89 HydrophobicContact CG-CD1 3.94Å; R56-L89 HydrophobicContact CG-CD2 3.69Å; R56-L89 HydrophobicContact CG-CG 4.49Å; Q85-L89 VanDerWaalsContact O-CG 3.3Å; Q85-L89 WeakPolarHBondContact O-CG 3.08Å; Q85-L89 PolarHBondContact O-N 3.13Å; L86-L89 PolarHBondContact O-N 3.32Å; L87-L89 PolarHBondContact O-N 3.44Å; L89-Y91 VanDerWaalsContact C-N 3.34Å; L89-K92 WeakPolarHBondContact O-CB 3.24Å; L89-K92 PolarHBondContact O-N 2.76Å
90L80.1Confident81.7Confident4 Ų460.2 Ų60.22%0.02129%0.294CS..Hα-helixtrans-67.6-31.8175.1-74.8171.4000112.6L55 A78 L86 L87 K92 L93 P95L55-L90 HydrophobicContact CD2-CG 4.36Å; A78-L90 HydrophobicContact CB-CD1 3.28Å; L86-L90 WeakPolarHBondContact O-CB 3.39Å; L86-L90 WeakPolarHBondContact O-CG 3.47Å; L86-L90 PolarHBondContact O-N 2.83Å; L87-L90 PolarHBondContact O-N 2.93Å; L90-K92 PolarHBondContact O-N 3.33Å; L90-L93 HydrophobicContact CD2-CD1 4.26Å; L90-L93 WeakPolarHBondContact O-CB 3.29Å; L90-L93 PolarHBondContact O-N 3.32Å; L90-P95 WeakPolarHBondContact O-CD 3.23Å
91Y81.9Confident81.6Confident125 Ų12559 Ų5949%0.4928%0.283SS..Hα-helixtrans-55.2-33.6175.9-177.1-103.6000112.5L87 L89 L93 K94 K126 F127L87-Y91 WeakPolarHBondContact O-CB 3.26Å; L87-Y91 PolarHBondContact O-N 2.89Å; L89-Y91 VanDerWaalsContact C-N 3.34Å; Y91-L93 PolarHBondContact O-N 3.09Å; Y91-K94 PolarHBondContact O-N 2.86Å; Y91-K94 VanDerWaalsContact O-N 3.12Å; Y91-K126 WeakPolarHBondContact CE2-O 3.34Å; Y91-F127 HydrophobicContact CD2-CD1 4.04Å; Y91-F127 HydrophobicContact CD2-CD2 4.38Å; Y91-F127 AromaticContact CD2-CE1 3.78Å; Y91-F127 HydrophobicContact CD2-CE1 3.78Å; Y91-F127 HydrophobicContact CD2-CE2 4.14Å; Y91-F127 HydrophobicContact CD2-CG 4.35Å; Y91-F127 AromaticContact CD2-CZ 3.84Å; Y91-F127 HydrophobicContact CD2-CZ 3.84Å; Y91-F127 HydrophobicContact CG-CE1 4.44Å; Y91-F127 HydrophobicContact CG-CZ 4.27Å
92K80Confident81.6Confident163 Ų16364.7 Ų64.771%0.70931%0.306SS*.THydrogen-bonded Turntrans-61.1-28.3175.6-65.8-175.1175.5-175.60113.2L89 L90 K94L89-K92 WeakPolarHBondContact O-CB 3.24Å; L89-K92 PolarHBondContact O-N 2.76Å; L90-K92 PolarHBondContact O-N 3.33Å; K92-K94 VanDerWaalsContact C-N 3.33Å
93L73.6Confident81.7Confident44 Ų4467.9 Ų67.923%0.2332%0.319CS..THydrogen-bonded Turntrans-860.3179.2-68.8172.1000113.8V59 C65 L90 Y91V59-L93 HydrophobicContact CB-CD1 4.36Å; V59-L93 HydrophobicContact CG1-CD1 3.97Å; V59-L93 HydrophobicContact CG1-CD2 4.03Å; V59-L93 HydrophobicContact CG1-CG 3.91Å; V59-L93 HydrophobicContact CG2-CD1 3.86Å; C65-L93 HydrophobicContact CB-CB 4.15Å; L90-L93 HydrophobicContact CD2-CD1 4.26Å; L90-L93 WeakPolarHBondContact O-CB 3.29Å; L90-L93 PolarHBondContact O-N 3.32Å; Y91-L93 PolarHBondContact O-N 3.09Å
94K81.8Confident81.9Confident180 Ų18069 Ų6978%0.78333%0.328SS*.  trans46.354.9-176.6-62.2-179.2177.5176.60114.1Y91 K92Y91-K94 PolarHBondContact O-N 2.86Å; Y91-K94 VanDerWaalsContact O-N 3.12Å; K92-K94 VanDerWaalsContact C-N 3.33Å
95P78.6Confident82.1Confident9 Ų967.6 Ų67.66%0.05832%0.32CS..  trans-69.7151178.630.5-36.6000111.7L75 L90 P97 F127L75-P95 HydrophobicContact CB-CB 4.43Å; L75-P95 HydrophobicContact CD1-CG 4.2Å; L75-P95 HydrophobicContact CD2-CB 4.17Å; L75-P95 HydrophobicContact CD2-CG 4.1Å; L90-P95 WeakPolarHBondContact O-CD 3.23Å; P95-P97 WeakPolarHBondContact O-CD 3.44Å; P95-F127 HydrophobicContact CG-CD1 4.44Å; P95-F127 HydrophobicContact CG-CE1 3.85Å
96D83.9Confident82.5Confident92 Ų9262 Ų6249%0.49230%0.295SS..  trans-79.6115.5178.8-72.8-46.6000111.5N66 N98 T99N66-D96 PolarHBondContact ND2-OD2 2.87Å; N66-D96 PolarHBondContact OD1-N 3.38Å; D96-N98 VanDerWaalsContact C-N 3.29Å; D96-N98 PolarHBondContact O-N 3.44Å; D96-T99 WeakPolarHBondContact CB-OG1 3.42Å; D96-T99 PolarHBondContact O-OG1 2.83Å
97P82.9Confident82.8Confident12 Ų1262 Ų628%0.07830%0.295CS..THydrogen-bonded Turntrans-79.5-9.4-176.534.9-38.8000113.7L75 P95 P107 F127 A129L75-P97 HydrophobicContact CD2-CB 4.18Å; P95-P97 WeakPolarHBondContact O-CD 3.44Å; P97-P107 VanDerWaalsContact O-CD 3.23Å; P97-P107 WeakPolarHBondContact O-CD 3.22Å; P97-F127 HydrophobicContact CB-CB 4.2Å; P97-F127 HydrophobicContact CG-CB 4.45Å; P97-F127 WeakPolarHBondContact CG-O 3.45Å; P97-A129 HydrophobicContact CB-CB 3.8Å; P97-A129 HydrophobicContact CG-CB 4.31Å
98N84.5Confident83.1Confident89 Ų8962.1 Ų62.148%0.47630%0.295SS..THydrogen-bonded Turntrans-100.53.8-176.2-63.1-42.2000113D96 G100 S130D96-N98 VanDerWaalsContact C-N 3.29Å; D96-N98 PolarHBondContact O-N 3.44Å; N98-G100 PolarHBondContact O-N 3.49Å; N98-S130 WeakPolarHBondContact OD1-CB 3.34Å; N98-S130 PolarHBondContact OD1-N 2.87Å
99T84.3Confident83.5Confident28 Ų2855.5 Ų55.517%0.17227%0.27CS..  trans-68.3121.9174.5-24.20000108.9T73 H76 D96T73-T99 HydrophobicContact CG2-CG2 4.14Å; H76-T99 PolarHBondContact CE1-O 3.26Å; H76-T99 PolarHBondContact NE2-O 3.48Å; H76-T99 VanDerWaalsContact NE2-O 3.11Å; D96-T99 WeakPolarHBondContact CB-OG1 3.42Å; D96-T99 PolarHBondContact O-OG1 2.83Å
100G84Confident83.9Confident20 Ų2055.2 Ų55.221%0.20627%0.268CS..  trans-88.6153.8176.800000113.4N98 K105N98-G100 PolarHBondContact O-N 3.49Å; G100-K105 WeakPolarHBondContact CA-O 3.44Å
101D84Confident84.4Confident22 Ų2255 Ų5512%0.11827%0.267CS..  trans-77.3-165.2165.677.1-2.5000112.4Q72 N103 D104 K105Q72-D101 HydrophobicContact CG-CB 4.29Å; D101-N103 PolarHBondContact O-N 2.99Å; D101-N103 WeakPolarHBondContact OD1-CA 3.4Å; D101-N103 PolarHBondContact OD1-N 3.4Å; D101-D104 PolarHBondContact O-N 2.7Å; D101-D104 VanDerWaalsContact O-N 3.13Å; D101-D104 PolarHBondContact OD1-N 3.33Å; D101-K105 PolarHBondContact N-O 2.83Å; D101-K105 WeakPolarHBondContact OD1-CB 3.43Å; D101-K105 PolarHBondContact OD1-N 3.46Å
102K84.2Confident84.8Confident143 Ų14349 Ų4962%0.62224%0.244SC*.THydrogen-bonded Turntrans-63.4-18.9178.5-71.2-178178-178.20114.7V70V70-K102 HydrophobicContact CG1-CD 4.13Å
103N81.5Confident85.3Confident83 Ų8343.8 Ų43.844%0.44422%0.222SC..THydrogen-bonded Turntrans-107.313.7179.3-66-26.9000111.6D101 K105 K136D101-N103 PolarHBondContact O-N 2.99Å; D101-N103 WeakPolarHBondContact OD1-CA 3.4Å; D101-N103 PolarHBondContact OD1-N 3.4Å; N103-K105 HydrophobicContact CB-CG 4.18Å; N103-K105 PolarHBondContact O-N 2.87Å; N103-K136 PolarHBondContact O-N 2.79Å
104D85.2Confident86Confident85 Ų8545.7 Ų45.746%0.45523%0.232SC..  trans57.424.4-172.3-55.8-43.8000113.3D101 T106D101-D104 PolarHBondContact O-N 2.7Å; D101-D104 VanDerWaalsContact O-N 3.13Å; D101-D104 PolarHBondContact OD1-N 3.33Å; D104-T106 PolarHBondContact O-N 3.07Å
105K86.1Confident86.3Confident41 Ų4138.1 Ų38.118%0.17821%0.205CC..  trans-75.3122.5171.7-63.2-179.7172.4-1720108.6H76 G100 D101 N103 H109 E113 T135H76-K105 PolarHBondContact NE2-O 3.3Å; H76-K105 VanDerWaalsContact NE2-O 3.08Å; G100-K105 WeakPolarHBondContact CA-O 3.44Å; D101-K105 PolarHBondContact N-O 2.83Å; D101-K105 WeakPolarHBondContact OD1-CB 3.43Å; D101-K105 PolarHBondContact OD1-N 3.46Å; N103-K105 HydrophobicContact CB-CG 4.18Å; N103-K105 PolarHBondContact O-N 2.87Å; K105-H109 HydrophobicContact CB-CB 4Å; K105-H109 HydrophobicContact CG-CB 4.39Å; K105-E113 IonicContact NZ-OE1 2.75Å; K105-E113 PolarHBondContact NZ-OE1 3.4Å; K105-E113 IonicContact NZ-OE2 2.69Å; K105-E113 PolarHBondContact NZ-OE2 3.46Å; K105-T135 HydrophobicContact CG-CG2 4.1Å
106T89Confident86.9Confident4 Ų439.9 Ų39.93%0.02521%0.213CC..  trans-80.9166.5168.671.20000110.7D104 V108 H109 I110 A133D104-T106 PolarHBondContact O-N 3.07Å; T106-V108 PolarHBondContact O-N 2.72Å; T106-V108 VanDerWaalsContact O-N 3.14Å; T106-H109 PolarHBondContact N-ND1 3.17Å; T106-H109 WeakPolarHBondContact O-CA 3.44Å; T106-H109 WeakPolarHBondContact O-CB 3.3Å; T106-H109 PolarHBondContact O-N 3.35Å; T106-H109 PolarHBondContact OG1-CE1 2.87Å; T106-H109 PolarHBondContact OG1-ND1 3.03Å; T106-I110 PolarHBondContact O-N 2.95Å; T106-A133 HydrophobicContact CG2-CB 4.21Å
107P88.1Confident87.1Confident0 Ų037.5 Ų37.50%020%0.202CC..Hα-helixtrans-52.7-32.5173-26.835.7000113.9L75 A79 P97 I110 A111 L123L75-P107 HydrophobicContact CB-CG 4.32Å; L75-P107 HydrophobicContact CD2-CB 4.45Å; L75-P107 HydrophobicContact CD2-CG 3.92Å; L75-P107 HydrophobicContact CG-CB 4.13Å; L75-P107 HydrophobicContact CG-CG 3.87Å; A79-P107 HydrophobicContact CB-CB 3.83Å; A79-P107 WeakPolarHBondContact CB-O 3.41Å; P97-P107 VanDerWaalsContact O-CD 3.23Å; P97-P107 WeakPolarHBondContact O-CD 3.22Å; P107-I110 PolarHBondContact O-N 3.26Å; P107-A111 WeakPolarHBondContact O-CB 3.04Å; P107-A111 PolarHBondContact O-N 3.17Å; P107-L123 HydrophobicContact CB-CD1 4.21Å; P107-L123 HydrophobicContact CB-CD2 4.46Å
108V89.8Confident87.3Confident3 Ų338.9 Ų38.92%0.01821%0.212CC..Hα-helixtrans-67.5-37.7174.8-176.20000111.7T106 I110 A111 A112 V120 L123 A129 L141T106-V108 PolarHBondContact O-N 2.72Å; T106-V108 VanDerWaalsContact O-N 3.14Å; V108-I110 VanDerWaalsContact C-N 3.33Å; V108-A111 PolarHBondContact O-N 3.27Å; V108-A112 WeakPolarHBondContact O-CB 3.24Å; V108-A112 PolarHBondContact O-N 3.36Å; V108-V120 HydrophobicContact CG1-CG1 4.4Å; V108-L123 HydrophobicContact CG2-CB 3.77Å; V108-L123 HydrophobicContact CG2-CD1 4.23Å; V108-A129 HydrophobicContact CG2-CB 3.21Å; V108-L141 HydrophobicContact CB-CD2 4.34Å; V108-L141 HydrophobicContact CG1-CD1 3.72Å; V108-L141 HydrophobicContact CG1-CD2 3.7Å; V108-L141 HydrophobicContact CG1-CG 4.39Å
109H90.5Very high87.5Confident0 Ų034.6 Ų34.60%019%0.189CC..Hα-helixtrans-64.6-39.3175.6-64.8100000111.2K105 T106 A112 E113 A133 L141 I144K105-H109 HydrophobicContact CB-CB 4Å; K105-H109 HydrophobicContact CG-CB 4.39Å; T106-H109 PolarHBondContact N-ND1 3.17Å; T106-H109 WeakPolarHBondContact O-CA 3.44Å; T106-H109 WeakPolarHBondContact O-CB 3.3Å; T106-H109 PolarHBondContact O-N 3.35Å; T106-H109 PolarHBondContact OG1-CE1 2.87Å; T106-H109 PolarHBondContact OG1-ND1 3.03Å; H109-A112 PolarHBondContact O-N 3.39Å; H109-E113 VanDerWaalsContact O-CB 3.27Å; H109-E113 WeakPolarHBondContact O-CB 3.28Å; H109-E113 PolarHBondContact O-N 3.31Å; H109-A133 PolarHBondContact NE2-O 3.21Å; H109-L141 HydrophobicContact CB-CD2 4.36Å; H109-I144 HydrophobicContact CB-CD1 3.74Å; H109-I144 WeakPolarHBondContact CD2-CD1 3.12Å
110I88.7Confident87.7Confident12 Ų1233.4 Ų33.46%0.06218%0.182CC..Hα-helixtrans-66.7-42.7175.6-64.6-176.7000111.1H76 T106 P107 V108 A112 E113 L114H76-I110 HydrophobicContact CB-CD1 3.82Å; T106-I110 PolarHBondContact O-N 2.95Å; P107-I110 PolarHBondContact O-N 3.26Å; V108-I110 VanDerWaalsContact C-N 3.33Å; I110-A112 VanDerWaalsContact C-N 3.34Å; I110-A112 PolarHBondContact O-N 3.2Å; I110-E113 WeakPolarHBondContact O-CB 3.27Å; I110-E113 PolarHBondContact O-N 3.05Å; I110-L114 HydrophobicContact CG2-CD1 3.91Å; I110-L114 WeakPolarHBondContact O-CG 3.43Å; I110-L114 PolarHBondContact O-N 3.3Å
111A90.2Very high87.9Confident0 Ų036.1 Ų36.10%019%0.189CC..Hα-helixtrans-62.3-40.8175.800000112.1P107 V108 L114 G115 L116 T119 V120 L123P107-A111 WeakPolarHBondContact O-CB 3.04Å; P107-A111 PolarHBondContact O-N 3.17Å; V108-A111 PolarHBondContact O-N 3.27Å; A111-L114 PolarHBondContact O-N 3.19Å; A111-G115 PolarHBondContact O-N 3.09Å; A111-G115 VanDerWaalsContact O-N 3.1Å; A111-L116 PolarHBondContact O-N 3.28Å; A111-T119 WeakPolarHBondContact CB-OG1 3.38Å; A111-V120 HydrophobicContact CB-CG2 3.55Å; A111-L123 HydrophobicContact CB-CD1 4.04Å
112A90.2Very high88Confident0 Ų036.1 Ų36.10%019%0.189CC..Hα-helixtrans-69.8-31174.800000113.2V108 H109 I110 V120 L141 I144 H150V108-A112 WeakPolarHBondContact O-CB 3.24Å; V108-A112 PolarHBondContact O-N 3.36Å; H109-A112 PolarHBondContact O-N 3.39Å; I110-A112 VanDerWaalsContact C-N 3.34Å; I110-A112 PolarHBondContact O-N 3.2Å; A112-V120 HydrophobicContact CB-CG2 4.37Å; A112-L141 HydrophobicContact CB-CD2 4.02Å; A112-I144 HydrophobicContact CB-CG2 4.39Å; A112-H150 PolarHBondContact O-CD2 3.1Å
113E89.7Confident88.2Confident52 Ų5229.3 Ų29.324%0.24316%0.159CC..Hα-helixtrans-67.4-37.4173.3165.9165.2-147.900111.9K105 H109 I110 I144 H148 H150K105-E113 IonicContact NZ-OE1 2.75Å; K105-E113 PolarHBondContact NZ-OE1 3.4Å; K105-E113 IonicContact NZ-OE2 2.69Å; K105-E113 PolarHBondContact NZ-OE2 3.46Å; H109-E113 VanDerWaalsContact O-CB 3.27Å; H109-E113 WeakPolarHBondContact O-CB 3.28Å; H109-E113 PolarHBondContact O-N 3.31Å; I110-E113 WeakPolarHBondContact O-CB 3.27Å; I110-E113 PolarHBondContact O-N 3.05Å; E113-I144 HydrophobicContact CB-CG2 3.74Å; E113-H148 WeakPolarHBondContact O-CB 3.36Å; E113-H148 VanDerWaalsContact O-CG 3.26Å; E113-H148 IonicContact OE1-CE1 3.7Å; E113-H148 IonicContact OE1-NE2 2.78Å; E113-H150 PolarHBondContact O-NE2 3.41Å
114L89.1Confident88.4Confident85 Ų8526.1 Ų26.145%0.44514%0.144SC..Hα-helixtrans-88.8-5.5-180-66.6168.6000114.5S80 I110 A111 L116S80-L114 VanDerWaalsContact CA-CD1 3.43Å; S80-L114 VanDerWaalsContact O-CD1 3.31Å; S80-L114 WeakPolarHBondContact O-CD1 3.42Å; I110-L114 HydrophobicContact CG2-CD1 3.91Å; I110-L114 WeakPolarHBondContact O-CG 3.43Å; I110-L114 PolarHBondContact O-N 3.3Å; A111-L114 PolarHBondContact O-N 3.19Å; L114-L116 VanDerWaalsContact C-N 3.31Å; L114-L116 HydrophobicContact CB-CD1 3.86Å; L114-L116 HydrophobicContact CB-CG 4.01Å; L114-L116 HydrophobicContact CD1-CD1 4.08Å
115G88.4Confident88.5Confident20 Ų2026.8 Ų26.821%0.20615%0.148CC..THydrogen-bonded Turntrans78.515.9177.700000114.2A111 T117 H150A111-G115 PolarHBondContact O-N 3.09Å; A111-G115 VanDerWaalsContact O-N 3.1Å; G115-T117 VanDerWaalsContact C-N 3.34Å; G115-T117 PolarHBondContact O-N 3.1Å; G115-H150 WeakPolarHBondContact CA-CD2 3.49Å; G115-H150 WeakPolarHBondContact CA-NE2 3.28Å; G115-H150 PolarHBondContact N-CD2 2.94Å; G115-H150 VanDerWaalsContact N-CD2 3.29Å; G115-H150 PolarHBondContact N-NE2 3.26Å; G115-H150 VanDerWaalsContact N-NE2 3.16Å
116L89.6Confident88.4Confident46 Ų4630.2 Ų30.224%0.24116%0.163CC..  trans-81.980.8-174.9-65164.6000109.9A79 A111 L114 S118 T119 V120A79-L116 VanDerWaalsContact O-CD1 3.27Å; A79-L116 WeakPolarHBondContact O-CD1 3.36Å; A111-L116 PolarHBondContact O-N 3.28Å; L114-L116 VanDerWaalsContact C-N 3.31Å; L114-L116 HydrophobicContact CB-CD1 3.86Å; L114-L116 HydrophobicContact CB-CG 4.01Å; L114-L116 HydrophobicContact CD1-CD1 4.08Å; L116-S118 PolarHBondContact O-N 3.22Å; L116-T119 HydrophobicContact CB-CG2 4.23Å; L116-T119 WeakPolarHBondContact CB-OG1 3.2Å; L116-T119 PolarHBondContact O-N 2.99Å; L116-T119 PolarHBondContact O-OG1 3.29Å; L116-V120 WeakPolarHBondContact O-CG2 3.3Å; L116-V120 PolarHBondContact O-N 3.45Å
117T88.4Confident88.1Confident42 Ų4231 Ų3126%0.25817%0.166SC..Hα-helixtrans-50-57.2-17949.40000111.3G115 T119 V120 E121 E152 T153G115-T117 VanDerWaalsContact C-N 3.34Å; G115-T117 PolarHBondContact O-N 3.1Å; T117-T119 VanDerWaalsContact C-N 3.31Å; T117-T119 PolarHBondContact O-N 2.98Å; T117-V120 WeakPolarHBondContact O-CB 3.47Å; T117-V120 PolarHBondContact O-N 3.18Å; T117-V120 VanDerWaalsContact O-N 3.09Å; T117-E121 VanDerWaalsContact O-CG 3.28Å; T117-E121 WeakPolarHBondContact O-CG 3.44Å; T117-E121 PolarHBondContact O-N 3.03Å; T117-E152 HydrophobicContact CG2-CB 3.88Å; T117-T153 HydrophobicContact CG2-CG2 3.39Å
118S88.5Confident87.9Confident41 Ų4139.2 Ų39.229%0.28720%0.202SC..Hα-helixtrans-57.2-37.8-178.658.80000113.7L116 E121 I122L116-S118 PolarHBondContact O-N 3.22Å; S118-E121 PolarHBondContact O-N 3.14Å; S118-I122 WeakPolarHBondContact O-CD1 3.35Å; S118-I122 VanDerWaalsContact O-CG1 3.24Å; S118-I122 WeakPolarHBondContact O-CG1 3.48Å; S118-I122 PolarHBondContact O-N 3.15Å
119T87.7Confident87.7Confident0 Ų039.3 Ų39.30%020%0.203CC..Hα-helixtrans-75.3-34.6177.766.30000112.3L87 A111 L116 T117 E121 I122 L123L87-T119 HydrophobicContact CD1-CG2 3.68Å; A111-T119 WeakPolarHBondContact CB-OG1 3.38Å; L116-T119 HydrophobicContact CB-CG2 4.23Å; L116-T119 WeakPolarHBondContact CB-OG1 3.2Å; L116-T119 PolarHBondContact O-N 2.99Å; L116-T119 PolarHBondContact O-OG1 3.29Å; T117-T119 VanDerWaalsContact C-N 3.31Å; T117-T119 PolarHBondContact O-N 2.98Å; T119-E121 VanDerWaalsContact C-N 3.29Å; T119-E121 PolarHBondContact O-N 3.21Å; T119-I122 PolarHBondContact O-N 2.94Å; T119-L123 WeakPolarHBondContact O-CB 3.48Å; T119-L123 WeakPolarHBondContact O-CG 3.2Å; T119-L123 PolarHBondContact O-N 2.82Å
120V87.7Confident87.4Confident3 Ų341.5 Ų41.52%0.01822%0.219CC..Hα-helixtrans-58.7-44.5169.5172.70000110.1V108 A111 A112 L116 T117 L123 A124 L157V108-V120 HydrophobicContact CG1-CG1 4.4Å; A111-V120 HydrophobicContact CB-CG2 3.55Å; A112-V120 HydrophobicContact CB-CG2 4.37Å; L116-V120 WeakPolarHBondContact O-CG2 3.3Å; L116-V120 PolarHBondContact O-N 3.45Å; T117-V120 WeakPolarHBondContact O-CB 3.47Å; T117-V120 PolarHBondContact O-N 3.18Å; T117-V120 VanDerWaalsContact O-N 3.09Å; V120-L123 PolarHBondContact O-N 3.29Å; V120-A124 VanDerWaalsContact O-CB 3.26Å; V120-A124 WeakPolarHBondContact O-CB 3.45Å; V120-A124 PolarHBondContact O-N 3.43Å; V120-L157 HydrophobicContact CG1-CD2 3.96Å
121E88.4Confident87.2Confident77 Ų7743.3 Ų43.336%0.3623%0.228SC..Hα-helixtrans-62.2-47.3176.3-59.2-159.8133.100111.9T117 S118 T119 L123 A124 D125 R160T117-E121 VanDerWaalsContact O-CG 3.28Å; T117-E121 WeakPolarHBondContact O-CG 3.44Å; T117-E121 PolarHBondContact O-N 3.03Å; S118-E121 PolarHBondContact O-N 3.14Å; T119-E121 VanDerWaalsContact C-N 3.29Å; T119-E121 PolarHBondContact O-N 3.21Å; E121-L123 PolarHBondContact O-N 2.99Å; E121-A124 PolarHBondContact O-N 3.43Å; E121-D125 VanDerWaalsContact O-CB 3.26Å; E121-D125 WeakPolarHBondContact O-CB 3.28Å; E121-D125 VanDerWaalsContact O-CG 3.23Å; E121-D125 PolarHBondContact O-N 3.45Å; E121-R160 VanDerWaalsContact CD-NH2 3.31Å; E121-R160 VanDerWaalsContact CG-NH2 3.33Å; E121-R160 IonicContact OE1-CZ 3.42Å; E121-R160 IonicContact OE1-NH1 3.12Å; E121-R160 PolarHBondContact OE1-NH1 3.28Å; E121-R160 IonicContact OE1-NH2 2.77Å; E121-R160 PolarHBondContact OE1-NH2 3.22Å; E121-R160 VanDerWaalsContact OE1-NH2 3.15Å
122I87.9Confident87Confident21 Ų2148.9 Ų48.911%0.10826%0.257CS..Hα-helixtrans-61.7-43.2177.8-71.2164.9000111.4E84 L87 S118 T119 K126 F127E84-I122 HydrophobicContact CB-CD1 4.18Å; E84-I122 HydrophobicContact CG-CD1 3.68Å; L87-I122 HydrophobicContact CB-CG2 4.45Å; L87-I122 HydrophobicContact CD1-CG2 4.24Å; S118-I122 WeakPolarHBondContact O-CD1 3.35Å; S118-I122 VanDerWaalsContact O-CG1 3.24Å; S118-I122 WeakPolarHBondContact O-CG1 3.48Å; S118-I122 PolarHBondContact O-N 3.15Å; T119-I122 PolarHBondContact O-N 2.94Å; I122-K126 HydrophobicContact CG2-CD 4.33Å; I122-K126 WeakPolarHBondContact O-CA 3.26Å; I122-K126 VanDerWaalsContact O-CB 3.31Å; I122-K126 WeakPolarHBondContact O-CB 3.3Å; I122-K126 PolarHBondContact O-N 3.14Å; I122-F127 HydrophobicContact CG2-CD2 4.18Å; I122-F127 HydrophobicContact CG2-CE2 3.98Å; I122-F127 PolarHBondContact O-N 3.32Å
123L88.1Confident86.7Confident0 Ų050.1 Ų50.10%027%0.267CS..Hα-helixtrans-69.6-37.7179.9-70.8168000112.1L75 A79 L87 P107 V108 A111 T119 V120 E121 F127 K128 A129L75-L123 HydrophobicContact CD1-CD2 4.26Å; A79-L123 HydrophobicContact CB-CD1 3.98Å; L87-L123 HydrophobicContact CD2-CD2 4.12Å; P107-L123 HydrophobicContact CB-CD1 4.21Å; P107-L123 HydrophobicContact CB-CD2 4.46Å; V108-L123 HydrophobicContact CG2-CB 3.77Å; V108-L123 HydrophobicContact CG2-CD1 4.23Å; A111-L123 HydrophobicContact CB-CD1 4.04Å; T119-L123 WeakPolarHBondContact O-CB 3.48Å; T119-L123 WeakPolarHBondContact O-CG 3.2Å; T119-L123 PolarHBondContact O-N 2.82Å; V120-L123 PolarHBondContact O-N 3.29Å; E121-L123 PolarHBondContact O-N 2.99Å; L123-F127 HydrophobicContact CD2-CB 4.43Å; L123-F127 HydrophobicContact CD2-CD2 3.91Å; L123-F127 HydrophobicContact CD2-CE2 4.34Å; L123-F127 HydrophobicContact CD2-CG 4.16Å; L123-F127 WeakPolarHBondContact O-CB 3.44Å; L123-K128 PolarHBondContact O-N 3.01Å; L123-A129 HydrophobicContact CB-CB 4.47Å; L123-A129 VanDerWaalsContact O-CB 3.29Å; L123-A129 WeakPolarHBondContact O-CB 3.42Å; L123-A129 PolarHBondContact O-N 2.93Å; L123-A129 VanDerWaalsContact O-N 3.09Å
124A85.7Confident86.6Confident16 Ų1652.5 Ų52.513%0.13227%0.274CS..Hα-helixtrans-69.6-49.8175.800000111.6V120 E121 K128V120-A124 VanDerWaalsContact O-CB 3.26Å; V120-A124 WeakPolarHBondContact O-CB 3.45Å; V120-A124 PolarHBondContact O-N 3.43Å; E121-A124 PolarHBondContact O-N 3.43Å; A124-K128 WeakPolarHBondContact O-CA 3.28Å
125D86.3Confident86.6Confident99 Ų9949.1 Ų49.153%0.52926%0.256SS..Hα-helixtrans-85-42.5-169-58.5-14.7000112.5E121 R160E121-D125 VanDerWaalsContact O-CB 3.26Å; E121-D125 WeakPolarHBondContact O-CB 3.28Å; E121-D125 VanDerWaalsContact O-CG 3.23Å; E121-D125 PolarHBondContact O-N 3.45Å; D125-R160 IonicContact OD1-CZ 3.74Å; D125-R160 IonicContact OD1-NE 2.98Å; D125-R160 PolarHBondContact OD1-NE 3.15Å; D125-R160 IonicContact OD1-NH2 3.91Å; D125-R160 IonicContact OD2-CZ 3.63Å; D125-R160 IonicContact OD2-NE 3.65Å; D125-R160 IonicContact OD2-NH2 3.62Å; D125-R160 PolarHBondContact OD2-NH2 3.36Å
126K84.4Confident86.5Confident113 Ų11353.6 Ų53.649%0.49127%0.27SS..THydrogen-bonded Turntrans-93.3-42-175.9-61.5-172.9-179.2175.10113.7Y91 I122Y91-K126 WeakPolarHBondContact CE2-O 3.34Å; I122-K126 HydrophobicContact CG2-CD 4.33Å; I122-K126 WeakPolarHBondContact O-CA 3.26Å; I122-K126 VanDerWaalsContact O-CB 3.31Å; I122-K126 WeakPolarHBondContact O-CB 3.3Å; I122-K126 PolarHBondContact O-N 3.14Å
127F82Confident86.2Confident20 Ų2056.5 Ų56.59%0.08829%0.286CS..SBendtrans-87-11.3-179.2-71.3-96000113.2L75 L87 Y91 P95 P97 I122 L123 A129L75-F127 HydrophobicContact CD1-CE1 4.07Å; L75-F127 HydrophobicContact CD1-CZ 4.23Å; L87-F127 HydrophobicContact CB-CE2 4.4Å; L87-F127 HydrophobicContact CD2-CE2 4.34Å; L87-F127 HydrophobicContact CD2-CZ 4.48Å; L87-F127 WeakPolarHBondContact O-CZ 3.44Å; Y91-F127 HydrophobicContact CD2-CD1 4.04Å; Y91-F127 HydrophobicContact CD2-CD2 4.38Å; Y91-F127 AromaticContact CD2-CE1 3.78Å; Y91-F127 HydrophobicContact CD2-CE1 3.78Å; Y91-F127 HydrophobicContact CD2-CE2 4.14Å; Y91-F127 HydrophobicContact CD2-CG 4.35Å; Y91-F127 AromaticContact CD2-CZ 3.84Å; Y91-F127 HydrophobicContact CD2-CZ 3.84Å; Y91-F127 HydrophobicContact CG-CE1 4.44Å; Y91-F127 HydrophobicContact CG-CZ 4.27Å; P95-F127 HydrophobicContact CG-CD1 4.44Å; P95-F127 HydrophobicContact CG-CE1 3.85Å; P97-F127 HydrophobicContact CB-CB 4.2Å; P97-F127 HydrophobicContact CG-CB 4.45Å; P97-F127 WeakPolarHBondContact CG-O 3.45Å; I122-F127 HydrophobicContact CG2-CD2 4.18Å; I122-F127 HydrophobicContact CG2-CE2 3.98Å; I122-F127 PolarHBondContact O-N 3.32Å; L123-F127 HydrophobicContact CD2-CB 4.43Å; L123-F127 HydrophobicContact CD2-CD2 3.91Å; L123-F127 HydrophobicContact CD2-CE2 4.34Å; L123-F127 HydrophobicContact CD2-CG 4.16Å; L123-F127 WeakPolarHBondContact O-CB 3.44Å; F127-A129 VanDerWaalsContact C-N 3.29Å; F127-A129 PolarHBondContact O-N 3.29Å
128K85.3Confident86.1Confident173 Ų17354.9 Ų54.975%0.75228%0.278SS*.  trans56.240.7-176.1-57.3-176.9177.2-177.20112.9L123 A124L123-K128 PolarHBondContact O-N 3.01Å; A124-K128 WeakPolarHBondContact O-CA 3.28Å
129A84.3Confident86.1Confident6 Ų653.9 Ų53.95%0.0527%0.271CS..  trans-65.8144.2177.600000111.8P97 V108 L123 F127 I131P97-A129 HydrophobicContact CB-CB 3.8Å; P97-A129 HydrophobicContact CG-CB 4.31Å; V108-A129 HydrophobicContact CG2-CB 3.21Å; L123-A129 HydrophobicContact CB-CB 4.47Å; L123-A129 VanDerWaalsContact O-CB 3.29Å; L123-A129 WeakPolarHBondContact O-CB 3.42Å; L123-A129 PolarHBondContact O-N 2.93Å; L123-A129 VanDerWaalsContact O-N 3.09Å; F127-A129 VanDerWaalsContact C-N 3.29Å; F127-A129 PolarHBondContact O-N 3.29Å; A129-I131 PolarHBondContact O-N 2.87Å
130S85.5Confident86.1Confident46 Ų4654.2 Ų54.232%0.32227%0.273SS..  trans-68.9116.5-178.7179.40000111.8N98 L132 A133N98-S130 WeakPolarHBondContact OD1-CB 3.34Å; N98-S130 PolarHBondContact OD1-N 2.87Å; S130-L132 VanDerWaalsContact C-N 3.29Å; S130-L132 PolarHBondContact OG-N 2.74Å; S130-A133 PolarHBondContact OG-N 3.3Å
131I83.8Confident86.2Confident49 Ų4954.1 Ų54.125%0.25127%0.272SS..THydrogen-bonded Turntrans-76.2-19.9177-58.7173.6000111.4A129 L141 R160 V162A129-I131 PolarHBondContact O-N 2.87Å; I131-L141 HydrophobicContact CG2-CD1 4.33Å; I131-L141 WeakPolarHBondContact O-CD1 3.39Å; I131-R160 HydrophobicContact CD1-CB 4.29Å; I131-V162 HydrophobicContact CG2-CB 4.36Å; I131-V162 HydrophobicContact CG2-CG2 3.21Å
132L85Confident86.2Confident118 Ų11850.5 Ų50.562%0.61826%0.255SS*.THydrogen-bonded Turntrans-97.9-0.9-177.5-62.3174.8000113.5S130 P163S130-L132 VanDerWaalsContact C-N 3.29Å; S130-L132 PolarHBondContact OG-N 2.74Å; L132-P163 HydrophobicContact CD2-CG 4.47Å
133A84.3Confident86.4Confident25 Ų2549.6 Ų49.621%0.20725%0.251CS..  trans-61.2144.3176.900000110.7T106 H109 S130T106-A133 HydrophobicContact CG2-CB 4.21Å; H109-A133 PolarHBondContact NE2-O 3.21Å; S130-A133 PolarHBondContact OG-N 3.3Å
134R88Confident86.5Confident103 Ų10350.1 Ų50.139%0.38925%0.253SS..  trans-119.4144.9-178.8-74.1178.8134162.8-0.1109.8G138 M166 P167R134-G138 PolarHBondContact NE-O 2.9Å; R134-M166 VanDerWaalsContact CZ-CE 3.45Å; R134-P167 PolarHBondContact NH2-O 2.94Å
135T89.5Confident86.7Confident13 Ų1349.3 Ų49.38%0.0825%0.247CC..  trans-73.3171.8170.268.90000111.3K105 D137 G138 S139 I144K105-T135 HydrophobicContact CG-CG2 4.1Å; T135-D137 PolarHBondContact O-N 2.81Å; T135-D137 VanDerWaalsContact O-N 3.08Å; T135-D137 PolarHBondContact OG1-N 3.09Å; T135-G138 WeakPolarHBondContact O-CA 3.46Å; T135-G138 PolarHBondContact O-N 3.48Å; T135-S139 PolarHBondContact N-O 3.31Å; T135-S139 WeakPolarHBondContact OG1-CB 3.49Å; T135-S139 PolarHBondContact OG1-N 3.06Å; T135-I144 HydrophobicContact CG2-CD1 3.81Å
136K86.9Confident86.9Confident114 Ų11444.6 Ų44.650%0.49622%0.222SC..THydrogen-bonded Turntrans-54.9-26.3174.3-163.7172.8-174.5174.50114.2N103 G138 R169N103-K136 PolarHBondContact O-N 2.79Å; K136-G138 VanDerWaalsContact C-N 3.27Å; K136-G138 PolarHBondContact O-N 3.44Å; K136-R169 PolarHBondContact O-NE 3.4Å; K136-R169 PolarHBondContact O-NH1 3.38Å
137D81.9Confident87.2Confident108 Ų10840.6 Ų40.658%0.57821%0.208SC*.THydrogen-bonded Turntrans-84.6-0.1176.5-53.7-36.3000113T135 S139 R169T135-D137 PolarHBondContact O-N 2.81Å; T135-D137 VanDerWaalsContact O-N 3.08Å; T135-D137 PolarHBondContact OG1-N 3.09Å; D137-S139 PolarHBondContact O-N 3.15Å; D137-R169 VanDerWaalsContact O-CB 3.24Å; D137-R169 WeakPolarHBondContact O-CB 3.47Å; D137-R169 WeakPolarHBondContact O-CG 3.22Å; D137-R169 PolarHBondContact O-N 3.3Å
138G86.8Confident87.5Confident8 Ų843.1 Ų43.18%0.08222%0.22CC..  trans73.79.6-173.900000114.1R134 T135 K136R134-G138 PolarHBondContact NE-O 2.9Å; T135-G138 WeakPolarHBondContact O-CA 3.46Å; T135-G138 PolarHBondContact O-N 3.48Å; K136-G138 VanDerWaalsContact C-N 3.27Å; K136-G138 PolarHBondContact O-N 3.44Å
139S87.7Confident87.7Confident19 Ų1935.9 Ų35.913%0.13319%0.194CC..  trans-68.7131.5-180-59.50000110.3T135 D137T135-S139 PolarHBondContact N-O 3.31Å; T135-S139 WeakPolarHBondContact OG1-CB 3.49Å; T135-S139 PolarHBondContact OG1-N 3.06Å; D137-S139 PolarHBondContact O-N 3.15Å
140T88.8Confident88Confident8 Ų838.1 Ų38.15%0.04920%0.203CC..  trans-80.4166.5170.1620000110.6M142 H143 I144 M166T140-M142 PolarHBondContact O-N 2.86Å; T140-H143 PolarHBondContact N-ND1 3.27Å; T140-H143 WeakPolarHBondContact O-CA 3.42Å; T140-H143 WeakPolarHBondContact O-CB 3.16Å; T140-H143 PolarHBondContact O-N 2.75Å; T140-H143 PolarHBondContact OG1-ND1 3.03Å; T140-I144 PolarHBondContact O-N 3.45Å; T140-M166 HydrophobicContact CG2-CB 4.1Å; T140-M166 HydrophobicContact CG2-CG 3.95Å; T140-M166 HydrophobicContact CG2-SD 4.1Å
141L89.6Confident88.1Confident0 Ų038.8 Ų38.80%020%0.203CC..Hα-helixtrans-52.5-36.8172.2-76.7167.8000112.8V108 H109 A112 I131 H143 I144 A145 L157V108-L141 HydrophobicContact CB-CD2 4.34Å; V108-L141 HydrophobicContact CG1-CD1 3.72Å; V108-L141 HydrophobicContact CG1-CD2 3.7Å; V108-L141 HydrophobicContact CG1-CG 4.39Å; H109-L141 HydrophobicContact CB-CD2 4.36Å; A112-L141 HydrophobicContact CB-CD2 4.02Å; I131-L141 HydrophobicContact CG2-CD1 4.33Å; I131-L141 WeakPolarHBondContact O-CD1 3.39Å; L141-H143 VanDerWaalsContact C-N 3.31Å; L141-H143 PolarHBondContact O-N 3.27Å; L141-I144 PolarHBondContact O-N 2.8Å; L141-I144 VanDerWaalsContact O-N 3.12Å; L141-A145 PolarHBondContact O-N 3.06Å; L141-L157 HydrophobicContact CB-CD1 3.96Å; L141-L157 HydrophobicContact CB-CD2 4.11Å; L141-L157 HydrophobicContact CD1-CD2 4.01Å
142M89.4Confident88.4Confident2 Ų242.8 Ų42.81%0.0122%0.221CC..Hα-helixtrans-62.2-34.8174.3-80.3-63.4-74.900113.1T140 I144 A146 A154 L157 L158 V162 L164 A174 L190T140-M142 PolarHBondContact O-N 2.86Å; M142-I144 VanDerWaalsContact C-N 3.33Å; M142-A146 WeakPolarHBondContact O-CB 3.43Å; M142-A146 PolarHBondContact O-N 2.69Å; M142-A154 HydrophobicContact CE-CB 4.3Å; M142-A154 HydrophobicContact SD-CB 4.15Å; M142-L157 HydrophobicContact SD-CB 4.08Å; M142-L158 HydrophobicContact CE-CD1 3.92Å; M142-L158 HydrophobicContact CE-CD2 4.05Å; M142-L158 HydrophobicContact CE-CG 3.79Å; M142-L158 HydrophobicContact SD-CG 4.05Å; M142-V162 HydrophobicContact CB-CG1 4.12Å; M142-V162 HydrophobicContact CG-CB 3.92Å; M142-V162 HydrophobicContact CG-CG1 3.4Å; M142-V162 VanDerWaalsContact CG-CG1 3.4Å; M142-L164 HydrophobicContact CE-CD1 4.16Å; M142-A174 HydrophobicContact CB-CB 4.18Å; M142-L190 HydrophobicContact CE-CD2 3.36Å
143H90.9Very high88.6Confident2 Ų237.3 Ų37.31%0.00919%0.192CC..Hα-helixtrans-68-34.6174.3-72.190.1000112.5T140 L141 S147 M166 G172 L173 A174T140-H143 PolarHBondContact N-ND1 3.27Å; T140-H143 WeakPolarHBondContact O-CA 3.42Å; T140-H143 WeakPolarHBondContact O-CB 3.16Å; T140-H143 PolarHBondContact O-N 2.75Å; T140-H143 PolarHBondContact OG1-ND1 3.03Å; L141-H143 VanDerWaalsContact C-N 3.31Å; L141-H143 PolarHBondContact O-N 3.27Å; H143-S147 VanDerWaalsContact O-CB 3.26Å; H143-S147 WeakPolarHBondContact O-CB 3.48Å; H143-S147 PolarHBondContact O-N 2.84Å; H143-S147 PolarHBondContact O-OG 3.34Å; H143-M166 PolarHBondContact CE1-O 2.96Å; H143-G172 PolarHBondContact NE2-O 3.45Å; H143-L173 VanDerWaalsContact NE2-C 3.34Å; H143-A174 PolarHBondContact NE2-N 3.47Å
144I89.9Confident88.7Confident10 Ų1036.2 Ų36.25%0.05118%0.183CC..Hα-helixtrans-74.3-45.8-179.7-59.1-168.4000110.8H109 A112 E113 T135 T140 L141 M142 A146 S147 H148H109-I144 HydrophobicContact CB-CD1 3.74Å; H109-I144 WeakPolarHBondContact CD2-CD1 3.12Å; A112-I144 HydrophobicContact CB-CG2 4.39Å; E113-I144 HydrophobicContact CB-CG2 3.74Å; T135-I144 HydrophobicContact CG2-CD1 3.81Å; T140-I144 PolarHBondContact O-N 3.45Å; L141-I144 PolarHBondContact O-N 2.8Å; L141-I144 VanDerWaalsContact O-N 3.12Å; M142-I144 VanDerWaalsContact C-N 3.33Å; I144-A146 VanDerWaalsContact C-N 3.28Å; I144-A146 PolarHBondContact O-N 2.95Å; I144-S147 WeakPolarHBondContact CA-OG 3.34Å; I144-S147 PolarHBondContact O-N 3.44Å; I144-S147 PolarHBondContact O-OG 3.28Å; I144-H148 PolarHBondContact O-N 2.84Å; I144-H148 VanDerWaalsContact O-N 3.09Å; I144-H148 PolarHBondContact O-ND1 2.91Å
145A90.7Very high88.6Confident0 Ų034.2 Ų34.20%018%0.18CC..Hα-helixtrans-59-44.217300000110.5L141 S147 H148 G149 H150 T153 A154 L157L141-A145 PolarHBondContact O-N 3.06Å; A145-S147 VanDerWaalsContact C-N 3.34Å; A145-S147 PolarHBondContact O-N 3.4Å; A145-H148 PolarHBondContact O-N 3.45Å; A145-G149 PolarHBondContact O-N 3.46Å; A145-H150 PolarHBondContact O-N 3.15Å; A145-H150 VanDerWaalsContact O-N 3.15Å; A145-T153 WeakPolarHBondContact CB-OG1 3.46Å; A145-A154 HydrophobicContact CB-CB 4.07Å; A145-L157 HydrophobicContact CB-CD1 3.93Å
146A90.7Very high88.5Confident0 Ų034.2 Ų34.20%018%0.181CC..Hα-helixtrans-69.1-27.1176.800000114.4M142 I144 A174 A178 H183 V186 L190M142-A146 WeakPolarHBondContact O-CB 3.43Å; M142-A146 PolarHBondContact O-N 2.69Å; I144-A146 VanDerWaalsContact C-N 3.28Å; I144-A146 PolarHBondContact O-N 2.95Å; A146-A174 HydrophobicContact CB-CB 3.95Å; A146-A178 HydrophobicContact CB-CB 4.24Å; A146-H183 PolarHBondContact O-CD2 3.49Å; A146-V186 HydrophobicContact CB-CG1 3.95Å; A146-L190 HydrophobicContact CB-CD1 4.46Å
147S89.1Confident88.5Confident28 Ų2829 Ų2920%0.19616%0.159CC..Hα-helixtrans-77.7-29.3176.366.60000112.8H143 I144 A145 L181 H183H143-S147 VanDerWaalsContact O-CB 3.26Å; H143-S147 WeakPolarHBondContact O-CB 3.48Å; H143-S147 PolarHBondContact O-N 2.84Å; H143-S147 PolarHBondContact O-OG 3.34Å; I144-S147 WeakPolarHBondContact CA-OG 3.34Å; I144-S147 PolarHBondContact O-N 3.44Å; I144-S147 PolarHBondContact O-OG 3.28Å; A145-S147 VanDerWaalsContact C-N 3.34Å; A145-S147 PolarHBondContact O-N 3.4Å; S147-L181 WeakPolarHBondContact O-CD1 3.31Å; S147-H183 PolarHBondContact O-CD2 3.41Å; S147-H183 PolarHBondContact O-NE2 3.43Å
148H89.1Confident88.6Confident74 Ų7426 Ų2634%0.34314%0.142SC..Hα-helixtrans-96.7-4.7-178.9-63.788.9000113.6E113 I144 A145 H150E113-H148 WeakPolarHBondContact O-CB 3.36Å; E113-H148 VanDerWaalsContact O-CG 3.26Å; E113-H148 IonicContact OE1-CE1 3.7Å; E113-H148 IonicContact OE1-NE2 2.78Å; I144-H148 PolarHBondContact O-N 2.84Å; I144-H148 VanDerWaalsContact O-N 3.09Å; I144-H148 PolarHBondContact O-ND1 2.91Å; A145-H148 PolarHBondContact O-N 3.45Å; H148-H150 WeakPolarHBondContact CB-CD2 3.37Å; H148-H150 WeakPolarHBondContact CB-NE2 3.48Å
149G88.9Confident88.6Confident20 Ų2034.4 Ų34.421%0.20618%0.177CC..THydrogen-bonded Turntrans85.517.5172.300000114.3A145 D151 H183A145-G149 PolarHBondContact O-N 3.46Å; G149-D151 PolarHBondContact O-N 3.16Å; G149-H183 VanDerWaalsContact CA-CG 3.42Å; G149-H183 PolarHBondContact N-CD2 2.95Å; G149-H183 PolarHBondContact N-NE2 3Å
150H90.8Very high88.5Confident54 Ų5436.5 Ų36.525%0.2518%0.182CC..  trans-92.483.1-174.4-58.1-53.9000110.8A112 E113 G115 A145 H148 T153 A154A112-H150 PolarHBondContact O-CD2 3.1Å; E113-H150 PolarHBondContact O-NE2 3.41Å; G115-H150 WeakPolarHBondContact CA-CD2 3.49Å; G115-H150 WeakPolarHBondContact CA-NE2 3.28Å; G115-H150 PolarHBondContact N-CD2 2.94Å; G115-H150 VanDerWaalsContact N-CD2 3.29Å; G115-H150 PolarHBondContact N-NE2 3.26Å; G115-H150 VanDerWaalsContact N-NE2 3.16Å; A145-H150 PolarHBondContact O-N 3.15Å; A145-H150 VanDerWaalsContact O-N 3.15Å; H148-H150 WeakPolarHBondContact CB-CD2 3.37Å; H148-H150 WeakPolarHBondContact CB-NE2 3.48Å; H150-T153 HydrophobicContact CB-CG2 3.94Å; H150-T153 WeakPolarHBondContact CB-OG1 3.38Å; H150-T153 PolarHBondContact O-N 2.9Å; H150-T153 PolarHBondContact O-OG1 3.06Å; H150-A154 PolarHBondContact O-N 3.05Å
151D88.4Confident88.3Confident60 Ų6038.8 Ų38.832%0.32121%0.207SC..Hα-helixtrans-62.8-41.1-17961.2-24.2000113.4G149 T153 A154 L155 A185 V186G149-D151 PolarHBondContact O-N 3.16Å; D151-T153 PolarHBondContact O-N 3.23Å; D151-A154 PolarHBondContact O-N 2.62Å; D151-L155 WeakPolarHBondContact O-CG 3.34Å; D151-L155 PolarHBondContact O-N 3.21Å; D151-A185 HydrophobicContact CB-CB 4.39Å; D151-V186 HydrophobicContact CB-CG2 3.98Å
152E89.4Confident88.1Confident133 Ų13339 Ų3962%0.62121%0.208SC*.Hα-helixtrans-59.6-45.1173.9-68.3-171.8172.600112T117 A154 L155 A156T117-E152 HydrophobicContact CG2-CB 3.88Å; E152-A154 VanDerWaalsContact C-N 3.35Å; E152-A154 PolarHBondContact O-N 3.33Å; E152-L155 PolarHBondContact O-N 3.33Å; E152-A156 WeakPolarHBondContact O-CB 3.48Å; E152-A156 PolarHBondContact O-N 3.43Å
153T88.9Confident87.9Confident2 Ų241 Ų411%0.01222%0.222CC..Hα-helixtrans-65.5-38.5176.167.70000111.7T117 A145 H150 D151 L155 A156 L157T117-T153 HydrophobicContact CG2-CG2 3.39Å; A145-T153 WeakPolarHBondContact CB-OG1 3.46Å; H150-T153 HydrophobicContact CB-CG2 3.94Å; H150-T153 WeakPolarHBondContact CB-OG1 3.38Å; H150-T153 PolarHBondContact O-N 2.9Å; H150-T153 PolarHBondContact O-OG1 3.06Å; D151-T153 PolarHBondContact O-N 3.23Å; T153-L155 VanDerWaalsContact C-N 3.32Å; T153-L155 PolarHBondContact O-N 3.45Å; T153-A156 PolarHBondContact O-N 2.88Å; T153-L157 WeakPolarHBondContact O-CB 3.23Å; T153-L157 WeakPolarHBondContact O-CG 3.47Å; T153-L157 PolarHBondContact O-N 3.14Å
154A86.1Confident87.6Confident3 Ų342.1 Ų42.13%0.02523%0.227CC..Hα-helixtrans-63.1-40.3176.900000111.3M142 A145 H150 D151 E152 L157 L158M142-A154 HydrophobicContact CE-CB 4.3Å; M142-A154 HydrophobicContact SD-CB 4.15Å; A145-A154 HydrophobicContact CB-CB 4.07Å; H150-A154 PolarHBondContact O-N 3.05Å; D151-A154 PolarHBondContact O-N 2.62Å; E152-A154 VanDerWaalsContact C-N 3.35Å; E152-A154 PolarHBondContact O-N 3.33Å; A154-L157 PolarHBondContact O-N 2.84Å; A154-L158 WeakPolarHBondContact O-CG 3.12Å; A154-L158 PolarHBondContact O-N 3.22Å
155L86.6Confident87.4Confident61 Ų6147.7 Ų47.732%0.31925%0.251SS..Hα-helixtrans-67.1-40.9173.6-71.3170.3000112.3D151 E152 T153 L157 L158 K159D151-L155 WeakPolarHBondContact O-CG 3.34Å; D151-L155 PolarHBondContact O-N 3.21Å; E152-L155 PolarHBondContact O-N 3.33Å; T153-L155 VanDerWaalsContact C-N 3.32Å; T153-L155 PolarHBondContact O-N 3.45Å; L155-L157 VanDerWaalsContact C-N 3.32Å; L155-L157 PolarHBondContact O-N 2.95Å; L155-L158 PolarHBondContact O-N 2.99Å; L155-K159 WeakPolarHBondContact O-CG 3.47Å; L155-K159 PolarHBondContact O-N 3.34Å
156A86.9Confident87.3Confident13 Ų1350.6 Ų50.611%0.10727%0.266CS..Hα-helixtrans-63.7-37.517600000112.2E152 T153 R160E152-A156 WeakPolarHBondContact O-CB 3.48Å; E152-A156 PolarHBondContact O-N 3.43Å; T153-A156 PolarHBondContact O-N 2.88Å; A156-R160 PolarHBondContact O-N 2.86Å
157L87.7Confident87.3Confident5 Ų553 Ų533%0.02628%0.281CS..Hα-helixtrans-68.8-39.8174.7-75.2170.7000112.4V120 L141 M142 A145 T153 A154 L155 R160 G161 V162V120-L157 HydrophobicContact CG1-CD2 3.96Å; L141-L157 HydrophobicContact CB-CD1 3.96Å; L141-L157 HydrophobicContact CB-CD2 4.11Å; L141-L157 HydrophobicContact CD1-CD2 4.01Å; M142-L157 HydrophobicContact SD-CB 4.08Å; A145-L157 HydrophobicContact CB-CD1 3.93Å; T153-L157 WeakPolarHBondContact O-CB 3.23Å; T153-L157 WeakPolarHBondContact O-CG 3.47Å; T153-L157 PolarHBondContact O-N 3.14Å; A154-L157 PolarHBondContact O-N 2.84Å; L155-L157 VanDerWaalsContact C-N 3.32Å; L155-L157 PolarHBondContact O-N 2.95Å; L157-R160 CarbonylContact O-C 3.54Å; L157-R160 PolarHBondContact O-N 3.25Å; L157-G161 PolarHBondContact O-N 3.05Å; L157-V162 HydrophobicContact CB-CB 4.37Å; L157-V162 HydrophobicContact CB-CG2 3.82Å; L157-V162 HydrophobicContact CD2-CG2 3.91Å; L157-V162 HydrophobicContact CG-CG2 4.4Å; L157-V162 WeakPolarHBondContact O-CG2 3.39Å; L157-V162 PolarHBondContact O-N 3.34Å; L157-V162 VanDerWaalsContact O-N 3.15Å
158L84.8Confident87.3Confident43 Ų4352.4 Ų52.423%0.22528%0.276CS..Hα-helixtrans-62.5-42174.1-79.7168000112M142 A154 L155 R160 G161 L164 K193M142-L158 HydrophobicContact CE-CD1 3.92Å; M142-L158 HydrophobicContact CE-CD2 4.05Å; M142-L158 HydrophobicContact CE-CG 3.79Å; M142-L158 HydrophobicContact SD-CG 4.05Å; A154-L158 WeakPolarHBondContact O-CG 3.12Å; A154-L158 PolarHBondContact O-N 3.22Å; L155-L158 PolarHBondContact O-N 2.99Å; L158-R160 PolarHBondContact O-N 3.42Å; L158-G161 PolarHBondContact O-N 2.99Å; L158-L164 HydrophobicContact CD2-CB 4.3Å; L158-L164 HydrophobicContact CD2-CD1 4.24Å; L158-K193 HydrophobicContact CD1-CB 4.43Å; L158-K193 HydrophobicContact CD1-CG 4.11Å
159K86Confident87.3Confident185 Ų18556.7 Ų56.780%0.80429%0.289SS*.Hα-helixtrans-61-28.8175.5-73.6177.8-179.61780113L155L155-K159 WeakPolarHBondContact O-CG 3.47Å; L155-K159 PolarHBondContact O-N 3.34Å
160R86.9Confident87.1Confident63 Ų6361 Ų6124%0.23831%0.307CS..THydrogen-bonded Turntrans-95.312179.9-70179.2169.682.1-2.3113.7E121 D125 I131 A156 L157 L158E121-R160 VanDerWaalsContact CD-NH2 3.31Å; E121-R160 VanDerWaalsContact CG-NH2 3.33Å; E121-R160 IonicContact OE1-CZ 3.42Å; E121-R160 IonicContact OE1-NH1 3.12Å; E121-R160 PolarHBondContact OE1-NH1 3.28Å; E121-R160 IonicContact OE1-NH2 2.77Å; E121-R160 PolarHBondContact OE1-NH2 3.22Å; E121-R160 VanDerWaalsContact OE1-NH2 3.15Å; D125-R160 IonicContact OD1-CZ 3.74Å; D125-R160 IonicContact OD1-NE 2.98Å; D125-R160 PolarHBondContact OD1-NE 3.15Å; D125-R160 IonicContact OD1-NH2 3.91Å; D125-R160 IonicContact OD2-CZ 3.63Å; D125-R160 IonicContact OD2-NE 3.65Å; D125-R160 IonicContact OD2-NH2 3.62Å; D125-R160 PolarHBondContact OD2-NH2 3.36Å; I131-R160 HydrophobicContact CD1-CB 4.29Å; A156-R160 PolarHBondContact O-N 2.86Å; L157-R160 CarbonylContact O-C 3.54Å; L157-R160 PolarHBondContact O-N 3.25Å; L158-R160 PolarHBondContact O-N 3.42Å
161G84.2Confident86.9Confident56 Ų5658.9 Ų58.958%0.57730%0.3SS*.THydrogen-bonded Turntrans8819.9169.400000116.4L157 L158L157-G161 PolarHBondContact O-N 3.05Å; L158-G161 PolarHBondContact O-N 2.99Å
162V85.3Confident86.9Confident5 Ų556.1 Ų56.13%0.0329%0.286CS..  trans-68.5128.5171.1-1740000110.1I131 M142 L157 L164I131-V162 HydrophobicContact CG2-CB 4.36Å; I131-V162 HydrophobicContact CG2-CG2 3.21Å; M142-V162 HydrophobicContact CB-CG1 4.12Å; M142-V162 HydrophobicContact CG-CB 3.92Å; M142-V162 HydrophobicContact CG-CG1 3.4Å; M142-V162 VanDerWaalsContact CG-CG1 3.4Å; L157-V162 HydrophobicContact CB-CB 4.37Å; L157-V162 HydrophobicContact CB-CG2 3.82Å; L157-V162 HydrophobicContact CD2-CG2 3.91Å; L157-V162 HydrophobicContact CG-CG2 4.4Å; L157-V162 WeakPolarHBondContact O-CG2 3.39Å; L157-V162 PolarHBondContact O-N 3.34Å; L157-V162 VanDerWaalsContact O-N 3.15Å; V162-L164 PolarHBondContact O-N 3.03Å
163P84.6Confident87Confident45 Ų4550 Ų5029%0.29226%0.257SS..  trans-67.9128.4-178.224.9-33.9000112.8L132 M166L132-P163 HydrophobicContact CD2-CG 4.47Å; P163-M166 HydrophobicContact CB-CB 4.05Å; P163-M166 HydrophobicContact CB-SD 4.41Å; P163-M166 HydrophobicContact CG-CB 3.85Å; P163-M166 HydrophobicContact CG-CG 4.35Å; P163-M166 HydrophobicContact CG-SD 3.47Å; P163-M166 WeakPolarHBondContact CG-SD 3.41Å
164L84.4Confident87.1Confident24 Ų2450 Ų5013%0.12626%0.258CS..THydrogen-bonded Turntrans-69.9-37.1178.5-175.467.4000112.8M142 L158 V162 L190 A195M142-L164 HydrophobicContact CE-CD1 4.16Å; L158-L164 HydrophobicContact CD2-CB 4.3Å; L158-L164 HydrophobicContact CD2-CD1 4.24Å; V162-L164 PolarHBondContact O-N 3.03Å; L164-L190 HydrophobicContact CD1-CD2 3.65Å; L164-A195 HydrophobicContact CD2-CB 4.31Å
165F86.3Confident87.4Confident127 Ų12750 Ų5056%0.55726%0.257SS*.THydrogen-bonded Turntrans-92.74.9-170.1-51.8-58.6000114.8P167 L173 P196F165-P167 VanDerWaalsContact O-CD 3.31Å; F165-P167 WeakPolarHBondContact O-CD 3.02Å; F165-L173 WeakPolarHBondContact O-CD2 3.34Å; F165-P196 HydrophobicContact CD1-CG 4.45Å
166M88.1Confident87.8Confident62 Ų6247.1 Ų47.131%0.30524%0.242SC..  trans-83.3118.4-171.5-166.9162.1-173.100110.3R134 T140 H143 P163R134-M166 VanDerWaalsContact CZ-CE 3.45Å; T140-M166 HydrophobicContact CG2-CB 4.1Å; T140-M166 HydrophobicContact CG2-CG 3.95Å; T140-M166 HydrophobicContact CG2-SD 4.1Å; H143-M166 PolarHBondContact CE1-O 2.96Å; P163-M166 HydrophobicContact CB-CB 4.05Å; P163-M166 HydrophobicContact CB-SD 4.41Å; P163-M166 HydrophobicContact CG-CB 3.85Å; P163-M166 HydrophobicContact CG-CG 4.35Å; P163-M166 HydrophobicContact CG-SD 3.47Å; P163-M166 WeakPolarHBondContact CG-SD 3.41Å
167P90Very high88Confident49 Ų4946.9 Ų46.932%0.31824%0.239SC..  trans-82.9158.7-174.431.2-34.6000113.3R134 F165 G172R134-P167 PolarHBondContact NH2-O 2.94Å; F165-P167 VanDerWaalsContact O-CD 3.31Å; F165-P167 WeakPolarHBondContact O-CD 3.02Å; P167-G172 CarbonylContact C-O 3.35Å; P167-G172 VanDerWaalsContact CA-O 3.29Å; P167-G172 WeakPolarHBondContact CA-O 3.46Å
168N90.3Very high88.2Confident16 Ų1646.6 Ų46.69%0.08624%0.238CC..  trans-81.1-177.1169.366.416.2000112.7N170 G171 G172N168-N170 PolarHBondContact O-N 2.82Å; N168-N170 VanDerWaalsContact O-N 3.12Å; N168-N170 WeakPolarHBondContact OD1-CA 3.41Å; N168-N170 WeakPolarHBondContact OD1-CB 3.28Å; N168-N170 PolarHBondContact OD1-N 2.74Å; N168-G171 PolarHBondContact O-N 2.85Å; N168-G171 PolarHBondContact OD1-N 2.85Å; N168-G171 VanDerWaalsContact OD1-N 3.17Å; N168-G172 PolarHBondContact N-O 3.36Å; N168-G172 PolarHBondContact OD1-N 3.4Å; N168-G172 PolarHBondContact OD1-O 2.88Å
169R89.5Confident88.6Confident164 Ų16444.6 Ų44.662%0.61923%0.227SC*.THydrogen-bonded Turntrans-58.9-25177.1-82.7-179.3169.1-177.2-5.1113.8K136 D137 G171 K202K136-R169 PolarHBondContact O-NE 3.4Å; K136-R169 PolarHBondContact O-NH1 3.38Å; D137-R169 VanDerWaalsContact O-CB 3.24Å; D137-R169 WeakPolarHBondContact O-CB 3.47Å; D137-R169 WeakPolarHBondContact O-CG 3.22Å; D137-R169 PolarHBondContact O-N 3.3Å; R169-G171 VanDerWaalsContact C-N 3.28Å; R169-K202 WeakPolarHBondContact O-CD 3.25Å; R169-K202 VanDerWaalsContact O-CE 3.26Å; R169-K202 WeakPolarHBondContact O-CE 3.42Å; R169-K202 PolarHBondContact O-NZ 3.49Å
170N84.1Confident88.9Confident111 Ų11140.6 Ų40.659%0.59421%0.207SC*.THydrogen-bonded Turntrans-84.40.3177.2-60-16.4000112.9N168 G172 K202N168-N170 PolarHBondContact O-N 2.82Å; N168-N170 VanDerWaalsContact O-N 3.12Å; N168-N170 WeakPolarHBondContact OD1-CA 3.41Å; N168-N170 WeakPolarHBondContact OD1-CB 3.28Å; N168-N170 PolarHBondContact OD1-N 2.74Å; N170-G172 PolarHBondContact O-N 3.37Å; N170-K202 WeakPolarHBondContact O-CB 3.44Å; N170-K202 PolarHBondContact O-N 3.07Å
171G86.8Confident89.2Confident10 Ų1041 Ų4110%0.10321%0.214CC..SBendtrans74.28.2-175.700000114.4N168 R169N168-G171 PolarHBondContact O-N 2.85Å; N168-G171 PolarHBondContact OD1-N 2.85Å; N168-G171 VanDerWaalsContact OD1-N 3.17Å; R169-G171 VanDerWaalsContact C-N 3.28Å
172G88.2Confident89.5Confident1 Ų139.3 Ų39.31%0.0120%0.196CC..  trans-84.8145.8178.500000111.9H143 P167 N168 N170H143-G172 PolarHBondContact NE2-O 3.45Å; P167-G172 CarbonylContact C-O 3.35Å; P167-G172 VanDerWaalsContact CA-O 3.29Å; P167-G172 WeakPolarHBondContact CA-O 3.46Å; N168-G172 PolarHBondContact N-O 3.36Å; N168-G172 PolarHBondContact OD1-N 3.4Å; N168-G172 PolarHBondContact OD1-O 2.88Å; N170-G172 PolarHBondContact O-N 3.37Å
173L92.2Very high89.8Confident4 Ų441.6 Ų41.62%0.02121%0.206CC..  trans-79.4168166.2-67.5160.3000111.4H143 F165 L175 H176 S177 P196 F199H143-L173 VanDerWaalsContact NE2-C 3.34Å; F165-L173 WeakPolarHBondContact O-CD2 3.34Å; L173-L175 HydrophobicContact CB-CB 4.41Å; L173-L175 PolarHBondContact O-N 2.89Å; L173-H176 PolarHBondContact N-ND1 2.75Å; L173-H176 VanDerWaalsContact N-ND1 3.12Å; L173-H176 WeakPolarHBondContact O-CB 3.42Å; L173-H176 PolarHBondContact O-N 3.48Å; L173-S177 PolarHBondContact O-N 3.36Å; L173-P196 HydrophobicContact CD1-CG 3.92Å; L173-F199 HydrophobicContact CD1-CB 3.49Å; L173-F199 VanDerWaalsContact CD1-CB 3.49Å; L173-F199 HydrophobicContact CD1-CD1 3.48Å; L173-F199 VanDerWaalsContact CD1-CD1 3.48Å; L173-F199 HydrophobicContact CD1-CD2 3.99Å; L173-F199 HydrophobicContact CD1-CE1 4.18Å; L173-F199 HydrophobicContact CD1-CG 3.37Å; L173-F199 HydrophobicContact CG-CD1 3.81Å; L173-F199 HydrophobicContact CG-CE1 4.09Å; L173-F199 HydrophobicContact CG-CG 4.18Å
174A91Very high90.2Very high3 Ų341 Ų413%0.02520%0.2CC..Hα-helixtrans-54.5-34.1170.100000112.7M142 H143 A146 H176 S177 A178 L190M142-A174 HydrophobicContact CB-CB 4.18Å; H143-A174 PolarHBondContact NE2-N 3.47Å; A146-A174 HydrophobicContact CB-CB 3.95Å; A174-H176 VanDerWaalsContact C-N 3.27Å; A174-H176 PolarHBondContact O-N 3.46Å; A174-S177 PolarHBondContact O-N 2.73Å; A174-S177 VanDerWaalsContact O-N 3.1Å; A174-A178 PolarHBondContact O-N 2.8Å; A174-L190 HydrophobicContact CB-CD1 4.13Å
175L92.8Very high90.5Very high2 Ų242.2 Ų42.21%0.0121%0.214CC..Hα-helixtrans-55.9-40173.6-176.665.8000112.3L173 A178 A179 V187 L190 L191 A207L173-L175 HydrophobicContact CB-CB 4.41Å; L173-L175 PolarHBondContact O-N 2.89Å; L175-A178 PolarHBondContact O-N 2.87Å; L175-A179 VanDerWaalsContact O-CB 3.27Å; L175-A179 WeakPolarHBondContact O-CB 3.44Å; L175-A179 PolarHBondContact O-N 2.96Å; L175-V187 HydrophobicContact CD1-CG1 4.03Å; L175-V187 HydrophobicContact CD1-CG2 4.44Å; L175-L190 HydrophobicContact CB-CD1 4.4Å; L175-L190 HydrophobicContact CD1-CB 4.44Å; L175-L191 HydrophobicContact CD1-CD2 4.3Å; L175-L191 HydrophobicContact CD1-CG 4.11Å; L175-L191 HydrophobicContact CD2-CD2 4.12Å; L175-A207 HydrophobicContact CD2-CB 3.94Å; L175-A207 HydrophobicContact CG-CB 4.03Å
176H93.1Very high90.7Very high1 Ų136.1 Ų36.11%0.00519%0.187CC..Hα-helixtrans-70.1-34.1178.5-63.783.5000112.2L173 A174 R180 F199 T201 Y205 V210L173-H176 PolarHBondContact N-ND1 2.75Å; L173-H176 VanDerWaalsContact N-ND1 3.12Å; L173-H176 WeakPolarHBondContact O-CB 3.42Å; L173-H176 PolarHBondContact O-N 3.48Å; A174-H176 VanDerWaalsContact C-N 3.27Å; A174-H176 PolarHBondContact O-N 3.46Å; H176-R180 WeakPolarHBondContact O-CB 3.29Å; H176-R180 PolarHBondContact O-N 3.42Å; H176-R180 VanDerWaalsContact O-N 3.08Å; H176-F199 PolarHBondContact CE1-O 2.97Å; H176-F199 VanDerWaalsContact CE1-O 3.23Å; H176-F199 PolarHBondContact NE2-O 2.89Å; H176-T201 VanDerWaalsContact CD2-CG2 3.48Å; H176-T201 WeakPolarHBondContact CD2-CG2 3.33Å; H176-Y205 PolarHBondContact NE2-O 3.41Å; H176-V210 WeakPolarHBondContact O-CG1 3.28Å
177S91.1Very high90.9Very high8 Ų833.2 Ų33.26%0.05617%0.173CC..Hα-helixtrans-70-42.2175.4-69.80000111.5L173 A174 R180 L181L173-S177 PolarHBondContact O-N 3.36Å; A174-S177 PolarHBondContact O-N 2.73Å; A174-S177 VanDerWaalsContact O-N 3.1Å; S177-R180 PolarHBondContact O-N 3.13Å; S177-L181 PolarHBondContact O-N 3.37Å
178A92.4Very high91.1Very high0 Ų036.3 Ų36.30%018%0.178CC..Hα-helixtrans-63-45.7174.700000111.6A146 A174 L175 R180 L181 G182 H183 V186 V187 L190A146-A178 HydrophobicContact CB-CB 4.24Å; A174-A178 PolarHBondContact O-N 2.8Å; L175-A178 PolarHBondContact O-N 2.87Å; A178-R180 VanDerWaalsContact C-N 3.33Å; A178-R180 PolarHBondContact O-N 2.64Å; A178-L181 PolarHBondContact O-N 3.3Å; A178-G182 PolarHBondContact O-N 3.24Å; A178-H183 PolarHBondContact O-N 2.7Å; A178-H183 VanDerWaalsContact O-N 3.08Å; A178-V186 HydrophobicContact CB-CB 4.25Å; A178-V186 HydrophobicContact CB-CG1 4.1Å; A178-V187 HydrophobicContact CB-CG2 3.66Å; A178-L190 HydrophobicContact CB-CD1 4.43Å
179A93.7Very high91Very high0 Ų036.5 Ų36.50%018%0.182CC..Hα-helixtrans-62.4-37.3178.300000113L175 A211 V219L175-A179 VanDerWaalsContact O-CB 3.27Å; L175-A179 WeakPolarHBondContact O-CB 3.44Å; L175-A179 PolarHBondContact O-N 2.96Å; A179-A211 HydrophobicContact CB-CB 4.36Å; A179-V219 HydrophobicContact CB-CG1 4.22Å
180R92.8Very high91Very high101 Ų10128.8 Ų28.838%0.38115%0.153SC..Hα-helixtrans-64.4-40.6177.2-171.4179.7-57115.512.1112.9H176 S177 A178 V210 A214H176-R180 WeakPolarHBondContact O-CB 3.29Å; H176-R180 PolarHBondContact O-N 3.42Å; H176-R180 VanDerWaalsContact O-N 3.08Å; S177-R180 PolarHBondContact O-N 3.13Å; A178-R180 VanDerWaalsContact C-N 3.33Å; A178-R180 PolarHBondContact O-N 2.64Å; R180-V210 HydrophobicContact CB-CG1 3.58Å; R180-V210 HydrophobicContact CG-CG1 4.16Å; R180-A214 WeakPolarHBondContact O-CB 3.25Å
181L91.4Very high91.3Very high73 Ų7323.7 Ų23.738%0.38213%0.126SC..Hα-helixtrans-92.7-10.3-173.7-68.4166.6000112.7S147 S177 A178 R216S147-L181 WeakPolarHBondContact O-CD1 3.31Å; S177-L181 PolarHBondContact O-N 3.37Å; A178-L181 PolarHBondContact O-N 3.3Å; L181-R216 VanDerWaalsContact O-CZ 3.28Å; L181-R216 PolarHBondContact O-NH2 3.32Å
182G91Very high91.5Very high19 Ų1928.4 Ų28.420%0.19615%0.149CC..THydrogen-bonded Turntrans87.82217500000113.7A178 L184A178-G182 PolarHBondContact O-N 3.24Å; G182-L184 PolarHBondContact O-N 3.09Å
183H93Very high91.5Very high54 Ų5434.6 Ų34.625%0.2518%0.175CC..  trans-83.681.5-174.8-65.5-50.4000111.5A146 S147 G149 A178 A185 V186 V187A146-H183 PolarHBondContact O-CD2 3.49Å; S147-H183 PolarHBondContact O-CD2 3.41Å; S147-H183 PolarHBondContact O-NE2 3.43Å; G149-H183 VanDerWaalsContact CA-CG 3.42Å; G149-H183 PolarHBondContact N-CD2 2.95Å; G149-H183 PolarHBondContact N-NE2 3Å; A178-H183 PolarHBondContact O-N 2.7Å; A178-H183 VanDerWaalsContact O-N 3.08Å; H183-A185 PolarHBondContact O-N 3.19Å; H183-V186 HydrophobicContact CB-CB 4.26Å; H183-V186 HydrophobicContact CB-CG2 4.2Å; H183-V186 PolarHBondContact O-N 3.25Å; H183-V187 WeakPolarHBondContact O-CG2 3.5Å; H183-V187 PolarHBondContact O-N 3.46Å
184L92.3Very high91.2Very high31 Ų3136.7 Ų36.716%0.16220%0.198CC..Hα-helixtrans-56.9-47.4-174.9-175.861.6000112.7G182 V186 V187 R188 E218 Y222G182-L184 PolarHBondContact O-N 3.09Å; L184-V186 VanDerWaalsContact C-N 3.27Å; L184-V186 PolarHBondContact O-N 3.23Å; L184-V187 WeakPolarHBondContact O-CB 3.43Å; L184-V187 PolarHBondContact O-N 2.92Å; L184-V187 VanDerWaalsContact O-N 3.08Å; L184-R188 HydrophobicContact CD1-CG 4.44Å; L184-R188 HydrophobicContact CG-CG 4.5Å; L184-R188 WeakPolarHBondContact O-CG 3.47Å; L184-R188 PolarHBondContact O-N 3.18Å; L184-E218 HydrophobicContact CD2-CB 4.48Å; L184-Y222 HydrophobicContact CD1-CD1 4.41Å; L184-Y222 HydrophobicContact CD1-CD2 4.31Å; L184-Y222 HydrophobicContact CD1-CG 3.86Å
185A90.9Very high91.1Very high50 Ų5037.2 Ų37.241%0.41320%0.202SC..Hα-helixtrans-55.4-42.6-179.900000112.3D151 H183 R188 A189D151-A185 HydrophobicContact CB-CB 4.39Å; H183-A185 PolarHBondContact O-N 3.19Å; A185-R188 PolarHBondContact O-N 3.44Å; A185-A189 WeakPolarHBondContact O-CB 3.39Å; A185-A189 PolarHBondContact O-N 3.16Å
186V90.7Very high91Very high0 Ų039.4 Ų39.40%022%0.217CC..Hα-helixtrans-69.9-41.4176.4-176.60000111.8A146 D151 A178 H183 L184 R188 A189 L190A146-V186 HydrophobicContact CB-CG1 3.95Å; D151-V186 HydrophobicContact CB-CG2 3.98Å; A178-V186 HydrophobicContact CB-CB 4.25Å; A178-V186 HydrophobicContact CB-CG1 4.1Å; H183-V186 HydrophobicContact CB-CB 4.26Å; H183-V186 HydrophobicContact CB-CG2 4.2Å; H183-V186 PolarHBondContact O-N 3.25Å; L184-V186 VanDerWaalsContact C-N 3.27Å; L184-V186 PolarHBondContact O-N 3.23Å; V186-R188 VanDerWaalsContact C-N 3.3Å; V186-R188 PolarHBondContact O-N 3.09Å; V186-A189 PolarHBondContact O-N 3.49Å; V186-L190 HydrophobicContact CG1-CD1 3.74Å; V186-L190 HydrophobicContact CG1-CG 3.96Å; V186-L190 WeakPolarHBondContact O-CB 3.49Å; V186-L190 VanDerWaalsContact O-CG 3.25Å; V186-L190 WeakPolarHBondContact O-CG 3.48Å; V186-L190 PolarHBondContact O-N 2.77Å
187V92.3Very high90.8Very high0 Ų040.7 Ų40.70%022%0.223CC..Hα-helixtrans-57.2-46.1175.6171.10000110.5L175 A178 H183 L184 L190 L191 V219 Y222 L223L175-V187 HydrophobicContact CD1-CG1 4.03Å; L175-V187 HydrophobicContact CD1-CG2 4.44Å; A178-V187 HydrophobicContact CB-CG2 3.66Å; H183-V187 WeakPolarHBondContact O-CG2 3.5Å; H183-V187 PolarHBondContact O-N 3.46Å; L184-V187 WeakPolarHBondContact O-CB 3.43Å; L184-V187 PolarHBondContact O-N 2.92Å; L184-V187 VanDerWaalsContact O-N 3.08Å; V187-L190 PolarHBondContact O-N 3.03Å; V187-L191 HydrophobicContact CG1-CD1 3.74Å; V187-L191 HydrophobicContact CG1-CG 4.47Å; V187-L191 WeakPolarHBondContact O-CB 3.49Å; V187-L191 WeakPolarHBondContact O-CG 3.33Å; V187-L191 PolarHBondContact O-N 3.14Å; V187-V219 HydrophobicContact CG2-CG1 4.27Å; V187-Y222 HydrophobicContact CG1-CD1 4.21Å; V187-L223 HydrophobicContact CG1-CD2 4.32Å
188R92.8Very high90.7Very high115 Ų11543.6 Ų43.643%0.43424%0.238SC..Hα-helixtrans-59.5-48.4174.7-61-169-171.5176.62.8111.5L184 A185 V186 L190 L191 N192 Y222L184-R188 HydrophobicContact CD1-CG 4.44Å; L184-R188 HydrophobicContact CG-CG 4.5Å; L184-R188 WeakPolarHBondContact O-CG 3.47Å; L184-R188 PolarHBondContact O-N 3.18Å; A185-R188 PolarHBondContact O-N 3.44Å; V186-R188 VanDerWaalsContact C-N 3.3Å; V186-R188 PolarHBondContact O-N 3.09Å; R188-L190 VanDerWaalsContact C-N 3.35Å; R188-L190 PolarHBondContact O-N 3.43Å; R188-L191 PolarHBondContact O-N 3.36Å; R188-N192 VanDerWaalsContact O-CB 3.31Å; R188-N192 WeakPolarHBondContact O-CB 3.48Å; R188-N192 VanDerWaalsContact O-CG 3.22Å; R188-N192 PolarHBondContact O-N 2.91Å; R188-N192 PolarHBondContact O-ND2 3.38Å; R188-Y222 HydrophobicContact CB-CE1 4.36Å; R188-Y222 HydrophobicContact CG-CD1 4.25Å; R188-Y222 HydrophobicContact CG-CD2 4.29Å; R188-Y222 HydrophobicContact CG-CE1 3.73Å; R188-Y222 HydrophobicContact CG-CE2 3.78Å; R188-Y222 VanDerWaalsContact CG-CZ 3.48Å
189A88.9Confident90.7Very high19 Ų1947.4 Ų47.416%0.15726%0.255CS..Hα-helixtrans-61.7-40.4-179.600000112.5A185 V186 K193A185-A189 WeakPolarHBondContact O-CB 3.39Å; A185-A189 PolarHBondContact O-N 3.16Å; V186-A189 PolarHBondContact O-N 3.49Å; A189-K193 WeakPolarHBondContact O-CB 3.46Å; A189-K193 WeakPolarHBondContact O-CG 3.48Å; A189-K193 PolarHBondContact O-N 3.2Å
190L90Very high90.5Very high2 Ų252.6 Ų52.61%0.0128%0.277CS..Hα-helixtrans-70.8-44.3179.1-69.4174.2000112.5M142 A146 L164 A174 L175 A178 V186 V187 R188 K193 G194 A195M142-L190 HydrophobicContact CE-CD2 3.36Å; A146-L190 HydrophobicContact CB-CD1 4.46Å; L164-L190 HydrophobicContact CD1-CD2 3.65Å; A174-L190 HydrophobicContact CB-CD1 4.13Å; L175-L190 HydrophobicContact CB-CD1 4.4Å; L175-L190 HydrophobicContact CD1-CB 4.44Å; A178-L190 HydrophobicContact CB-CD1 4.43Å; V186-L190 HydrophobicContact CG1-CD1 3.74Å; V186-L190 HydrophobicContact CG1-CG 3.96Å; V186-L190 WeakPolarHBondContact O-CB 3.49Å; V186-L190 VanDerWaalsContact O-CG 3.25Å; V186-L190 WeakPolarHBondContact O-CG 3.48Å; V186-L190 PolarHBondContact O-N 2.77Å; V187-L190 PolarHBondContact O-N 3.03Å; R188-L190 VanDerWaalsContact C-N 3.35Å; R188-L190 PolarHBondContact O-N 3.43Å; L190-K193 PolarHBondContact O-N 3.32Å; L190-G194 PolarHBondContact O-N 3.05Å; L190-A195 HydrophobicContact CB-CB 4.18Å; L190-A195 VanDerWaalsContact O-CB 3.25Å; L190-A195 WeakPolarHBondContact O-CB 3.35Å; L190-A195 PolarHBondContact O-N 2.83Å; L190-A195 VanDerWaalsContact O-N 3.07Å
191L90.8Very high90.5Very high5 Ų548.7 Ų48.73%0.02627%0.265CS..Hα-helixtrans-64.5-45178.2-73.4169.5000111.2L175 V187 R188 K193 G194 I197 Y222 L223 Y226L175-L191 HydrophobicContact CD1-CD2 4.3Å; L175-L191 HydrophobicContact CD1-CG 4.11Å; L175-L191 HydrophobicContact CD2-CD2 4.12Å; V187-L191 HydrophobicContact CG1-CD1 3.74Å; V187-L191 HydrophobicContact CG1-CG 4.47Å; V187-L191 WeakPolarHBondContact O-CB 3.49Å; V187-L191 WeakPolarHBondContact O-CG 3.33Å; V187-L191 PolarHBondContact O-N 3.14Å; R188-L191 PolarHBondContact O-N 3.36Å; L191-K193 PolarHBondContact O-N 2.96Å; L191-K193 VanDerWaalsContact O-N 3.14Å; L191-G194 PolarHBondContact O-N 3.26Å; L191-I197 HydrophobicContact CD2-CB 4.14Å; L191-I197 HydrophobicContact CD2-CD1 4.31Å; L191-I197 HydrophobicContact CD2-CG1 4.23Å; L191-Y222 HydrophobicContact CD1-CD1 4.16Å; L191-Y222 HydrophobicContact CD1-CE1 3.84Å; L191-L223 HydrophobicContact CD1-CD2 4.15Å; L191-Y226 HydrophobicContact CB-CD1 4.42Å; L191-Y226 HydrophobicContact CB-CE1 3.98Å; L191-Y226 HydrophobicContact CB-CE2 4.14Å; L191-Y226 HydrophobicContact CD1-CD1 4.3Å; L191-Y226 HydrophobicContact CD1-CD2 4.32Å; L191-Y226 HydrophobicContact CD1-CG 4.11Å; L191-Y226 HydrophobicContact CD2-CD1 4.32Å; L191-Y226 HydrophobicContact CD2-CE1 4.38Å; L191-Y226 PolarHBondContact O-OH 3.19Å
192N89.9Confident90.4Very high109 Ų10952.9 Ų52.958%0.58328%0.28SS*.Hα-helixtrans-63-20.3175.5-71.7-13.2000113.8R188 Y226R188-N192 VanDerWaalsContact O-CB 3.31Å; R188-N192 WeakPolarHBondContact O-CB 3.48Å; R188-N192 VanDerWaalsContact O-CG 3.22Å; R188-N192 PolarHBondContact O-N 2.91Å; R188-N192 PolarHBondContact O-ND2 3.38Å; N192-Y226 PolarHBondContact OD1-OH 2.85Å
193K87.6Confident90.1Very high130 Ų13059.3 Ų59.357%0.56530%0.303SS*.THydrogen-bonded Turntrans-92.44.9174.3-69.7-69.7178.3-171.20113.5L158 A189 L190 L191L158-K193 HydrophobicContact CD1-CB 4.43Å; L158-K193 HydrophobicContact CD1-CG 4.11Å; A189-K193 WeakPolarHBondContact O-CB 3.46Å; A189-K193 WeakPolarHBondContact O-CG 3.48Å; A189-K193 PolarHBondContact O-N 3.2Å; L190-K193 PolarHBondContact O-N 3.32Å; L191-K193 PolarHBondContact O-N 2.96Å; L191-K193 VanDerWaalsContact O-N 3.14Å
194G87.7Confident89.9Confident49 Ų4957.7 Ų57.751%0.50530%0.301SS..THydrogen-bonded Turntrans91.826.8174.400000114.9L190 L191L190-G194 PolarHBondContact O-N 3.05Å; L191-G194 PolarHBondContact O-N 3.26Å
195A88Confident89.9Confident13 Ų1358 Ų5811%0.10730%0.3CS..  trans-69.1130.6171.100000110.8L164 L190 I197L164-A195 HydrophobicContact CD2-CB 4.31Å; L190-A195 HydrophobicContact CB-CB 4.18Å; L190-A195 VanDerWaalsContact O-CB 3.25Å; L190-A195 WeakPolarHBondContact O-CB 3.35Å; L190-A195 PolarHBondContact O-N 2.83Å; L190-A195 VanDerWaalsContact O-N 3.07Å; A195-I197 PolarHBondContact O-N 2.97Å
196P90.3Very high90Very high49 Ų4955.6 Ų55.632%0.31828%0.28SS..  trans-67.5126.6178.426.3-35.1000111.3F165 L173 F199F165-P196 HydrophobicContact CD1-CG 4.45Å; L173-P196 HydrophobicContact CD1-CG 3.92Å; P196-F199 HydrophobicContact CB-CB 4.25Å; P196-F199 HydrophobicContact CG-CB 3.97Å; P196-F199 HydrophobicContact CG-CD2 4.14Å; P196-F199 HydrophobicContact CG-CG 4.4Å
197I88.9Confident90.1Very high27 Ų2755.6 Ų55.614%0.13828%0.28CS..THydrogen-bonded Turntrans-72.1-41.5-175.3-163.1162.2000112.8L191 A195 F199 L223 Y226 A228L191-I197 HydrophobicContact CD2-CB 4.14Å; L191-I197 HydrophobicContact CD2-CD1 4.31Å; L191-I197 HydrophobicContact CD2-CG1 4.23Å; A195-I197 PolarHBondContact O-N 2.97Å; I197-F199 PolarHBondContact O-N 3.11Å; I197-L223 HydrophobicContact CD1-CD2 4.05Å; I197-L223 HydrophobicContact CG1-CD2 4.03Å; I197-Y226 HydrophobicContact CD1-CD1 4.23Å; I197-A228 HydrophobicContact CD1-CB 3.78Å; I197-A228 HydrophobicContact CG1-CB 4Å
198D89.5Confident90.2Very high69 Ų6955.6 Ų55.637%0.36928%0.28SS..THydrogen-bonded Turntrans-95.519-175.6-60.4-45.1000114.2K200 D229D198-K200 PolarHBondContact O-N 3.43Å; D198-D229 PolarHBondContact OD1-N 3.08Å
199F91.5Very high90.3Very high80 Ų8050.1 Ų50.135%0.35126%0.259SS..PPolyproline II helixtrans-64.9132.9176-169.4-86.2000110.7L173 H176 P196 I197L173-F199 HydrophobicContact CD1-CB 3.49Å; L173-F199 VanDerWaalsContact CD1-CB 3.49Å; L173-F199 HydrophobicContact CD1-CD1 3.48Å; L173-F199 VanDerWaalsContact CD1-CD1 3.48Å; L173-F199 HydrophobicContact CD1-CD2 3.99Å; L173-F199 HydrophobicContact CD1-CE1 4.18Å; L173-F199 HydrophobicContact CD1-CG 3.37Å; L173-F199 HydrophobicContact CG-CD1 3.81Å; L173-F199 HydrophobicContact CG-CE1 4.09Å; L173-F199 HydrophobicContact CG-CG 4.18Å; H176-F199 PolarHBondContact CE1-O 2.97Å; H176-F199 VanDerWaalsContact CE1-O 3.23Å; H176-F199 PolarHBondContact NE2-O 2.89Å; P196-F199 HydrophobicContact CB-CB 4.25Å; P196-F199 HydrophobicContact CG-CB 3.97Å; P196-F199 HydrophobicContact CG-CD2 4.14Å; P196-F199 HydrophobicContact CG-CG 4.4Å; I197-F199 PolarHBondContact O-N 3.11Å
200K90.9Very high90.4Very high109 Ų10949.9 Ų49.947%0.47426%0.256SS..PPolyproline II helixtrans-97.2134.4-176.4-62.8-171.8-177.1-165.80112D198 Y205 T206 K233D198-K200 PolarHBondContact O-N 3.43Å; K200-Y205 WeakPolarHBondContact CA-O 3.21Å; K200-T206 HydrophobicContact CG-CG2 4.19Å; K200-K233 PolarHBondContact NZ-O 3.38Å
201T91.8Very high90.6Very high19 Ų1949.8 Ų49.812%0.11726%0.255CS..PPolyproline II helixtrans-65.1173.4168.360.70000112.1H176 K203 G204 Y205H176-T201 VanDerWaalsContact CD2-CG2 3.48Å; H176-T201 WeakPolarHBondContact CD2-CG2 3.33Å; T201-K203 PolarHBondContact O-N 3.19Å; T201-K203 PolarHBondContact OG1-N 3.19Å; T201-G204 PolarHBondContact O-N 2.77Å; T201-Y205 WeakPolarHBondContact CG2-O 3.23Å; T201-Y205 PolarHBondContact N-O 3.29Å; T201-Y205 PolarHBondContact OG1-N 3.01Å; T201-Y205 VanDerWaalsContact OG1-N 3.15Å; T201-Y205 PolarHBondContact OG1-O 3.23Å
202K89.2Confident90.8Very high161 Ų16149.6 Ų49.670%0.726%0.255SS*.THydrogen-bonded Turntrans-57.1-23172.1-79-179.1-178.8178.10113.8R169 N170R169-K202 WeakPolarHBondContact O-CD 3.25Å; R169-K202 VanDerWaalsContact O-CE 3.26Å; R169-K202 WeakPolarHBondContact O-CE 3.42Å; R169-K202 PolarHBondContact O-NZ 3.49Å; N170-K202 WeakPolarHBondContact O-CB 3.44Å; N170-K202 PolarHBondContact O-N 3.07Å
203K84.3Confident90.8Very high155 Ų15549.2 Ų49.267%0.67425%0.248SC*.THydrogen-bonded Turntrans-92.88175.3-64.9-168.5177.8-1730112.8T201 Y205 G235T201-K203 PolarHBondContact O-N 3.19Å; T201-K203 PolarHBondContact OG1-N 3.19Å; K203-Y205 VanDerWaalsContact C-N 3.3Å; K203-Y205 HydrophobicContact CB-CD2 3.76Å; K203-Y205 HydrophobicContact CB-CE2 3.88Å; K203-Y205 HydrophobicContact CD-CE2 4.36Å; K203-Y205 PolarHBondContact O-N 3.43Å; K203-G235 WeakPolarHBondContact O-CA 3.36Å; K203-G235 PolarHBondContact O-N 3.47Å
204G89.5Confident91Very high20 Ų2044.5 Ų44.521%0.20623%0.233CC..SBendtrans80.2-1.5179.500000115.7T201 G234T201-G204 PolarHBondContact O-N 2.77Å; G204-G234 WeakPolarHBondContact O-CA 3.39Å
205Y92Very high91.2Very high36 Ų3643.6 Ų43.614%0.14122%0.219CC..  trans-75.7135.4-179.6-65.2-59.3000112.5H176 K200 T201 K203 H209 K213H176-Y205 PolarHBondContact NE2-O 3.41Å; K200-Y205 WeakPolarHBondContact CA-O 3.21Å; T201-Y205 WeakPolarHBondContact CG2-O 3.23Å; T201-Y205 PolarHBondContact N-O 3.29Å; T201-Y205 PolarHBondContact OG1-N 3.01Å; T201-Y205 VanDerWaalsContact OG1-N 3.15Å; T201-Y205 PolarHBondContact OG1-O 3.23Å; K203-Y205 VanDerWaalsContact C-N 3.3Å; K203-Y205 HydrophobicContact CB-CD2 3.76Å; K203-Y205 HydrophobicContact CB-CE2 3.88Å; K203-Y205 HydrophobicContact CD-CE2 4.36Å; K203-Y205 PolarHBondContact O-N 3.43Å; Y205-H209 HydrophobicContact CD1-CB 3.59Å; Y205-H209 AromaticContact CD1-CD2 3.88Å; Y205-H209 AromaticContact CD1-CG 3.8Å; Y205-H209 HydrophobicContact CG-CB 4.15Å; Y205-K213 PolarHBondContact OH-NZ 3.01Å
206T93.7Very high91.5Very high0 Ų047.9 Ų47.90%023%0.232CC..  trans-84173.716865.20000111.6K200 L208 H209 V210 A232K200-T206 HydrophobicContact CG-CG2 4.19Å; T206-L208 PolarHBondContact O-N 3.21Å; T206-H209 PolarHBondContact N-ND1 3.18Å; T206-H209 PolarHBondContact O-N 2.89Å; T206-H209 PolarHBondContact OG1-N 2.93Å; T206-H209 PolarHBondContact OG1-ND1 3.39Å; T206-V210 WeakPolarHBondContact O-CG2 3.47Å; T206-V210 PolarHBondContact O-N 2.94Å; T206-A232 HydrophobicContact CG2-CB 4.04Å
207A93.1Very high91.6Very high0 Ų046.7 Ų46.70%022%0.224CC..Hα-helixtrans-57.7-38.1173.600000112.3L175 V210 A211 L223L175-A207 HydrophobicContact CD2-CB 3.94Å; L175-A207 HydrophobicContact CG-CB 4.03Å; A207-V210 PolarHBondContact O-N 3.05Å; A207-A211 PolarHBondContact O-N 3.36Å; A207-L223 HydrophobicContact CB-CD1 4.18Å; A207-L223 HydrophobicContact CB-CD2 4.26Å
208L94.4Very high91.8Very high1 Ų151.5 Ų51.51%0.00525%0.246CC..Hα-helixtrans-61.7-46.9176.5-174.663.4000111.8T206 V210 A211 V212 V220 L223 L224 A228 D229 P241 L260T206-L208 PolarHBondContact O-N 3.21Å; L208-V210 VanDerWaalsContact C-N 3.28Å; L208-V210 PolarHBondContact O-N 3.23Å; L208-A211 PolarHBondContact O-N 3.13Å; L208-V212 WeakPolarHBondContact O-CG2 3.4Å; L208-V212 PolarHBondContact O-N 3.03Å; L208-V220 HydrophobicContact CD1-CG1 4.11Å; L208-L223 HydrophobicContact CD1-CB 4.27Å; L208-L224 HydrophobicContact CD1-CD2 4.16Å; L208-L224 HydrophobicContact CD1-CG 4.16Å; L208-L224 HydrophobicContact CD2-CD2 4.1Å; L208-A228 HydrophobicContact CB-CB 4.29Å; L208-A228 HydrophobicContact CD2-CB 4.17Å; L208-D229 WeakPolarHBondContact CD2-O 3.33Å; L208-P241 HydrophobicContact CD2-CB 4.13Å; L208-P241 HydrophobicContact CD2-CG 3.67Å; L208-P241 HydrophobicContact CG-CB 4.22Å; L208-P241 HydrophobicContact CG-CG 4.08Å; L208-L260 HydrophobicContact CD2-CD2 4.4Å
209H93.5Very high92.1Very high0 Ų048.3 Ų48.30%023%0.229CC..Hα-helixtrans-58.2-41.4175.6-7391.9000112.8Y205 T206 K213 A232 K239Y205-H209 HydrophobicContact CD1-CB 3.59Å; Y205-H209 AromaticContact CD1-CD2 3.88Å; Y205-H209 AromaticContact CD1-CG 3.8Å; Y205-H209 HydrophobicContact CG-CB 4.15Å; T206-H209 PolarHBondContact N-ND1 3.18Å; T206-H209 PolarHBondContact O-N 2.89Å; T206-H209 PolarHBondContact OG1-N 2.93Å; T206-H209 PolarHBondContact OG1-ND1 3.39Å; H209-K213 WeakPolarHBondContact O-CB 3.37Å; H209-K213 PolarHBondContact O-N 3.25Å; H209-A232 PolarHBondContact CE1-O 3.4Å; H209-A232 PolarHBondContact NE2-O 2.96Å; H209-K239 PolarHBondContact NE2-O 3.48Å
210V92.6Very high92.2Very high14 Ų1444.5 Ų44.59%0.08521%0.212CC..Hα-helixtrans-69.8-38.3-178.8176.40000111.2H176 R180 T206 A207 L208 A214H176-V210 WeakPolarHBondContact O-CG1 3.28Å; R180-V210 HydrophobicContact CB-CG1 3.58Å; R180-V210 HydrophobicContact CG-CG1 4.16Å; T206-V210 WeakPolarHBondContact O-CG2 3.47Å; T206-V210 PolarHBondContact O-N 2.94Å; A207-V210 PolarHBondContact O-N 3.05Å; L208-V210 VanDerWaalsContact C-N 3.28Å; L208-V210 PolarHBondContact O-N 3.23Å; V210-A214 WeakPolarHBondContact O-CB 3.3Å; V210-A214 PolarHBondContact O-N 3.42Å; V210-A214 VanDerWaalsContact O-N 3.1Å
211A94.2Very high92.4Very high0 Ų045.2 Ų45.20%022%0.217CC..Hα-helixtrans-65.3-43.5175.300000112.1A179 A207 L208 A214 C215 R216 V219 V220 L223A179-A211 HydrophobicContact CB-CB 4.36Å; A207-A211 PolarHBondContact O-N 3.36Å; L208-A211 PolarHBondContact O-N 3.13Å; A211-A214 CarbonylContact O-C 3.57Å; A211-A214 PolarHBondContact O-N 2.93Å; A211-C215 PolarHBondContact O-N 2.97Å; A211-C215 VanDerWaalsContact O-N 3.16Å; A211-R216 PolarHBondContact O-N 2.87Å; A211-R216 VanDerWaalsContact O-N 3.09Å; A211-V219 HydrophobicContact CB-CB 4.42Å; A211-V219 HydrophobicContact CB-CG1 3.96Å; A211-V220 HydrophobicContact CB-CG2 3.71Å; A211-L223 HydrophobicContact CB-CD1 3.98Å
212V93.9Very high92.5Very high1 Ų147 Ų471%0.00622%0.223CC..Hα-helixtrans-64.7-46.3176.1174.90000111.1L208 A214 C215 V220 P241 C244 A245 L248 L260L208-V212 WeakPolarHBondContact O-CG2 3.4Å; L208-V212 PolarHBondContact O-N 3.03Å; V212-A214 PolarHBondContact O-N 3.26Å; V212-C215 PolarHBondContact O-N 3.1Å; V212-V220 HydrophobicContact CG2-CG1 4.47Å; V212-V220 HydrophobicContact CG2-CG2 3.81Å; V212-P241 HydrophobicContact CG2-CB 4.32Å; V212-C244 HydrophobicContact CG1-CB 4.02Å; V212-A245 HydrophobicContact CG1-CB 3.76Å; V212-L248 VanDerWaalsContact O-CD1 3.29Å; V212-L248 WeakPolarHBondContact O-CD1 3.31Å; V212-L260 HydrophobicContact CG1-CD1 4.49Å; V212-L260 HydrophobicContact CG2-CD1 4.05Å
213K91.4Very high92.7Very high101 Ų10139.4 Ų39.444%0.43919%0.189SC..Hα-helixtrans-60.5-28.2175.9-102.8-174.1165.7-176.70114.2Y205 H209Y205-K213 PolarHBondContact OH-NZ 3.01Å; H209-K213 WeakPolarHBondContact O-CB 3.37Å; H209-K213 PolarHBondContact O-N 3.25Å
214A91.5Very high93.2Very high31 Ų3133.2 Ų33.226%0.25616%0.163SC..THydrogen-bonded Turntrans-91.52.6177.100000113.2R180 V210 A211 V212 R216R180-A214 WeakPolarHBondContact O-CB 3.25Å; V210-A214 WeakPolarHBondContact O-CB 3.3Å; V210-A214 PolarHBondContact O-N 3.42Å; V210-A214 VanDerWaalsContact O-N 3.1Å; A211-A214 CarbonylContact O-C 3.57Å; A211-A214 PolarHBondContact O-N 2.93Å; V212-A214 PolarHBondContact O-N 3.26Å; A214-R216 HydrophobicContact CB-CG 3.93Å; A214-R216 PolarHBondContact O-N 3.08Å
215C91.9Very high93.3Very high30 Ų3035.7 Ų35.720%0.20319%0.189CC..THydrogen-bonded Turntrans50.850.4-177.3-59.20000113A211 V212 P217 K252A211-C215 PolarHBondContact O-N 2.97Å; A211-C215 VanDerWaalsContact O-N 3.16Å; V212-C215 PolarHBondContact O-N 3.1Å; C215-P217 WeakPolarHBondContact O-CD 3.42Å; C215-K252 HydrophobicContact CB-CB 4.04Å
216R93.5Very high93.2Very high102 Ų10238.9 Ų38.939%0.38520%0.202SC..  trans-106.685-178.7-61.7-58.3-176.6162.4-0.7111.7L181 A211 A214 E218 V219 V220L181-R216 VanDerWaalsContact O-CZ 3.28Å; L181-R216 PolarHBondContact O-NH2 3.32Å; A211-R216 PolarHBondContact O-N 2.87Å; A211-R216 VanDerWaalsContact O-N 3.09Å; A214-R216 HydrophobicContact CB-CG 3.93Å; A214-R216 PolarHBondContact O-N 3.08Å; R216-E218 PolarHBondContact O-N 2.9Å; R216-V219 HydrophobicContact CB-CB 4.19Å; R216-V219 HydrophobicContact CB-CG2 4.34Å; R216-V219 PolarHBondContact O-N 3.15Å; R216-V220 WeakPolarHBondContact O-CG2 3.32Å; R216-V220 PolarHBondContact O-N 2.98Å
217P92.7Very high93.1Very high24 Ų2441.4 Ų41.416%0.15623%0.228CC..Hα-helixtrans-62.8-45-170.622.9-33.3000113.4C215 V219 V220 E221 M259C215-P217 WeakPolarHBondContact O-CD 3.42Å; P217-V219 PolarHBondContact O-N 3.36Å; P217-V220 WeakPolarHBondContact O-CA 3.41Å; P217-V220 WeakPolarHBondContact O-CB 3.41Å; P217-V220 PolarHBondContact O-N 3.1Å; P217-E221 PolarHBondContact O-N 3.15Å; P217-M259 HydrophobicContact CB-CE 3.51Å
218E93.7Very high93.1Very high128 Ų12841.8 Ų41.860%0.59823%0.231SC*.Hα-helixtrans-58.7-33.5179.5-62.6174-168.600113.3L184 R216 Y222L184-E218 HydrophobicContact CD2-CB 4.48Å; R216-E218 PolarHBondContact O-N 2.9Å; E218-Y222 PolarHBondContact O-N 2.77Å
219V94.6Very high93Very high2 Ų245 Ų451%0.01225%0.248CC..Hα-helixtrans-78-38.1176.5177.10000110.8A179 V187 A211 R216 P217 Y222 L223A179-V219 HydrophobicContact CB-CG1 4.22Å; V187-V219 HydrophobicContact CG2-CG1 4.27Å; A211-V219 HydrophobicContact CB-CB 4.42Å; A211-V219 HydrophobicContact CB-CG1 3.96Å; R216-V219 HydrophobicContact CB-CB 4.19Å; R216-V219 HydrophobicContact CB-CG2 4.34Å; R216-V219 PolarHBondContact O-N 3.15Å; P217-V219 PolarHBondContact O-N 3.36Å; V219-Y222 PolarHBondContact O-N 3.43Å; V219-L223 HydrophobicContact CG1-CD1 3.82Å; V219-L223 HydrophobicContact CG1-CG 4.17Å; V219-L223 WeakPolarHBondContact O-CB 3.37Å; V219-L223 VanDerWaalsContact O-CG 3.23Å; V219-L223 WeakPolarHBondContact O-CG 3.46Å; V219-L223 PolarHBondContact O-N 3.31Å
220V94.4Very high92.8Very high0 Ų045.9 Ų45.90%025%0.253CS..Hα-helixtrans-60.6-48.3174.6170.80000109.9L208 A211 V212 R216 P217 Y222 L223 L224 M259L208-V220 HydrophobicContact CD1-CG1 4.11Å; A211-V220 HydrophobicContact CB-CG2 3.71Å; V212-V220 HydrophobicContact CG2-CG1 4.47Å; V212-V220 HydrophobicContact CG2-CG2 3.81Å; R216-V220 WeakPolarHBondContact O-CG2 3.32Å; R216-V220 PolarHBondContact O-N 2.98Å; P217-V220 WeakPolarHBondContact O-CA 3.41Å; P217-V220 WeakPolarHBondContact O-CB 3.41Å; P217-V220 PolarHBondContact O-N 3.1Å; V220-Y222 PolarHBondContact O-N 3.17Å; V220-L223 PolarHBondContact O-N 3.47Å; V220-L224 HydrophobicContact CG1-CD1 3.63Å; V220-L224 HydrophobicContact CG1-CG 4.28Å; V220-L224 WeakPolarHBondContact O-CB 3.4Å; V220-L224 WeakPolarHBondContact O-CG 3.26Å; V220-L224 PolarHBondContact O-N 3.37Å; V220-M259 HydrophobicContact CB-CE 4.06Å; V220-M259 HydrophobicContact CG1-CE 3.98Å
221E94.2Very high92.6Very high125 Ų12549.9 Ų49.958%0.58427%0.271SS*.Hα-helixtrans-56.1-48.1175.9-172.7-176.6176.500111.7P217 L224 G225 M259P217-E221 PolarHBondContact O-N 3.15Å; E221-L224 PolarHBondContact O-N 2.91Å; E221-G225 PolarHBondContact O-N 3.34Å; E221-M259 HydrophobicContact CB-SD 4Å
222Y94.2Very high92.3Very high57 Ų5750.3 Ų50.322%0.22427%0.274CS..Hα-helixtrans-66.4-40.4179-167.9-93000112.9L184 V187 R188 L191 E218 V219 V220 G225 Y226L184-Y222 HydrophobicContact CD1-CD1 4.41Å; L184-Y222 HydrophobicContact CD1-CD2 4.31Å; L184-Y222 HydrophobicContact CD1-CG 3.86Å; V187-Y222 HydrophobicContact CG1-CD1 4.21Å; R188-Y222 HydrophobicContact CB-CE1 4.36Å; R188-Y222 HydrophobicContact CG-CD1 4.25Å; R188-Y222 HydrophobicContact CG-CD2 4.29Å; R188-Y222 HydrophobicContact CG-CE1 3.73Å; R188-Y222 HydrophobicContact CG-CE2 3.78Å; R188-Y222 VanDerWaalsContact CG-CZ 3.48Å; L191-Y222 HydrophobicContact CD1-CD1 4.16Å; L191-Y222 HydrophobicContact CD1-CE1 3.84Å; E218-Y222 PolarHBondContact O-N 2.77Å; V219-Y222 PolarHBondContact O-N 3.43Å; V220-Y222 PolarHBondContact O-N 3.17Å; Y222-G225 PolarHBondContact O-N 3.23Å; Y222-Y226 AromaticContact CE1-CD2 3.86Å; Y222-Y226 HydrophobicContact CE1-CD2 3.86Å; Y222-Y226 HydrophobicContact CE1-CE2 4.44Å; Y222-Y226 AromaticContact CZ-CD2 3.98Å; Y222-Y226 WeakPolarHBondContact O-CB 3.43Å; Y222-Y226 PolarHBondContact O-N 2.91Å
223L94.4Very high92Very high0 Ų056.2 Ų56.20%030%0.3CS..Hα-helixtrans-64.9-42.2177-74.4171.5000111.5V187 L191 I197 A207 L208 A211 V219 V220 Y226 G227 A228V187-L223 HydrophobicContact CG1-CD2 4.32Å; L191-L223 HydrophobicContact CD1-CD2 4.15Å; I197-L223 HydrophobicContact CD1-CD2 4.05Å; I197-L223 HydrophobicContact CG1-CD2 4.03Å; A207-L223 HydrophobicContact CB-CD1 4.18Å; A207-L223 HydrophobicContact CB-CD2 4.26Å; L208-L223 HydrophobicContact CD1-CB 4.27Å; A211-L223 HydrophobicContact CB-CD1 3.98Å; V219-L223 HydrophobicContact CG1-CD1 3.82Å; V219-L223 HydrophobicContact CG1-CG 4.17Å; V219-L223 WeakPolarHBondContact O-CB 3.37Å; V219-L223 VanDerWaalsContact O-CG 3.23Å; V219-L223 WeakPolarHBondContact O-CG 3.46Å; V219-L223 PolarHBondContact O-N 3.31Å; V220-L223 PolarHBondContact O-N 3.47Å; L223-Y226 PolarHBondContact O-N 3.49Å; L223-G227 PolarHBondContact O-N 2.86Å; L223-A228 HydrophobicContact CB-CB 4.11Å; L223-A228 WeakPolarHBondContact O-CB 3.46Å; L223-A228 PolarHBondContact O-N 3.17Å
224L93.2Very high91.5Very high25 Ų2551.4 Ų51.413%0.13128%0.279CS..Hα-helixtrans-63.2-44.7174.7-68.8168.6000110.9L208 V220 E221 Y226 G227 V230 M259 L260L208-L224 HydrophobicContact CD1-CD2 4.16Å; L208-L224 HydrophobicContact CD1-CG 4.16Å; L208-L224 HydrophobicContact CD2-CD2 4.1Å; V220-L224 HydrophobicContact CG1-CD1 3.63Å; V220-L224 HydrophobicContact CG1-CG 4.28Å; V220-L224 WeakPolarHBondContact O-CB 3.4Å; V220-L224 WeakPolarHBondContact O-CG 3.26Å; V220-L224 PolarHBondContact O-N 3.37Å; E221-L224 PolarHBondContact O-N 2.91Å; L224-Y226 VanDerWaalsContact C-N 3.28Å; L224-Y226 PolarHBondContact O-N 2.91Å; L224-G227 PolarHBondContact O-N 3.12Å; L224-V230 HydrophobicContact CD2-CG2 3.61Å; L224-M259 HydrophobicContact CD1-CB 4.39Å; L224-L260 HydrophobicContact CD1-CD2 4.39Å; L224-L260 HydrophobicContact CD2-CD2 4.28Å
225G91.5Very high91Very high73 Ų7350.5 Ų50.575%0.75327%0.273SS*.Hα-helixtrans-64.7-26.217600000114.6E221 Y222 G227E221-G225 PolarHBondContact O-N 3.34Å; Y222-G225 PolarHBondContact O-N 3.23Å; G225-G227 VanDerWaalsContact C-N 3.32Å
226Y91.5Very high90.2Very high102 Ų10254.8 Ų54.840%0.430%0.303SS..THydrogen-bonded Turntrans-84.8-4.1174.1-143.7-89.3000113.1L191 N192 I197 Y222 L223 L224L191-Y226 HydrophobicContact CB-CD1 4.42Å; L191-Y226 HydrophobicContact CB-CE1 3.98Å; L191-Y226 HydrophobicContact CB-CE2 4.14Å; L191-Y226 HydrophobicContact CD1-CD1 4.3Å; L191-Y226 HydrophobicContact CD1-CD2 4.32Å; L191-Y226 HydrophobicContact CD1-CG 4.11Å; L191-Y226 HydrophobicContact CD2-CD1 4.32Å; L191-Y226 HydrophobicContact CD2-CE1 4.38Å; L191-Y226 PolarHBondContact O-OH 3.19Å; N192-Y226 PolarHBondContact OD1-OH 2.85Å; I197-Y226 HydrophobicContact CD1-CD1 4.23Å; Y222-Y226 AromaticContact CE1-CD2 3.86Å; Y222-Y226 HydrophobicContact CE1-CD2 3.86Å; Y222-Y226 HydrophobicContact CE1-CE2 4.44Å; Y222-Y226 AromaticContact CZ-CD2 3.98Å; Y222-Y226 WeakPolarHBondContact O-CB 3.43Å; Y222-Y226 PolarHBondContact O-N 2.91Å; L223-Y226 PolarHBondContact O-N 3.49Å; L224-Y226 VanDerWaalsContact C-N 3.28Å; L224-Y226 PolarHBondContact O-N 2.91Å
227G90.7Very high89.2Confident53 Ų5355 Ų5555%0.54631%0.312SS..THydrogen-bonded Turntrans94.431.9177.400000115.6L223 L224 G225L223-G227 PolarHBondContact O-N 2.86Å; L224-G227 PolarHBondContact O-N 3.12Å; G225-G227 VanDerWaalsContact C-N 3.32Å
228A92.7Very high88.6Confident8 Ų859 Ų597%0.06633%0.331CS..  trans-65.5137.1171.500000111.7I197 L208 L223 V230I197-A228 HydrophobicContact CD1-CB 3.78Å; I197-A228 HydrophobicContact CG1-CB 4Å; L208-A228 HydrophobicContact CB-CB 4.29Å; L208-A228 HydrophobicContact CD2-CB 4.17Å; L223-A228 HydrophobicContact CB-CB 4.11Å; L223-A228 WeakPolarHBondContact O-CB 3.46Å; L223-A228 PolarHBondContact O-N 3.17Å; A228-V230 PolarHBondContact O-N 2.85Å
229D92Very high88.1Confident70 Ų7054.8 Ų54.837%0.37431%0.311SS..  trans-68.8115.1179.7178.316.3000112D198 L208 H231 A232D198-D229 PolarHBondContact OD1-N 3.08Å; L208-D229 WeakPolarHBondContact CD2-O 3.33Å; D229-H231 VanDerWaalsContact C-N 3.26Å; D229-H231 PolarHBondContact O-N 3.4Å; D229-H231 PolarHBondContact OD1-N 3.47Å; D229-A232 HydrophobicContact CB-CB 4.16Å; D229-A232 WeakPolarHBondContact O-CB 3.31Å; D229-A232 PolarHBondContact O-N 3.48Å; D229-A232 WeakPolarHBondContact OD2-CA 3.15Å; D229-A232 PolarHBondContact OD2-N 2.75Å
230V89.9Confident87.8Confident17 Ų1755.2 Ų55.210%0.10331%0.314CS..THydrogen-bonded Turntrans-69.8-23.5179-169.50000111.9L224 A228 P241 L260 A265L224-V230 HydrophobicContact CD2-CG2 3.61Å; A228-V230 PolarHBondContact O-N 2.85Å; V230-P241 WeakPolarHBondContact O-CD 3.36Å; V230-L260 HydrophobicContact CG1-CD2 4.1Å; V230-A265 HydrophobicContact CG1-CB 3.57Å
231H89Confident87.6Confident99 Ų9955.2 Ų55.246%0.45831%0.314SS..THydrogen-bonded Turntrans-100.63.3-177.4-55.8-68.5000113.3D229 K233 G264D229-H231 VanDerWaalsContact C-N 3.26Å; D229-H231 PolarHBondContact O-N 3.4Å; D229-H231 PolarHBondContact OD1-N 3.47Å; H231-K233 PolarHBondContact O-N 3Å; H231-G264 PolarHBondContact CE1-O 3.17Å
232A87.7Confident87.4Confident8 Ų849.3 Ų49.37%0.06629%0.286CS..  trans-55128.7179.600000110.6T206 H209 D229T206-A232 HydrophobicContact CG2-CB 4.04Å; H209-A232 PolarHBondContact CE1-O 3.4Å; H209-A232 PolarHBondContact NE2-O 2.96Å; D229-A232 HydrophobicContact CB-CB 4.16Å; D229-A232 WeakPolarHBondContact O-CB 3.31Å; D229-A232 PolarHBondContact O-N 3.48Å; D229-A232 WeakPolarHBondContact OD2-CA 3.15Å; D229-A232 PolarHBondContact OD2-N 2.75Å
233K86.6Confident87.2Confident125 Ų12547.3 Ų47.354%0.54328%0.279SS..  trans-92.2129.6175-66.3178.8179.7-178.40110.7K200 H231 D238K200-K233 PolarHBondContact NZ-O 3.38Å; H231-K233 PolarHBondContact O-N 3Å; K233-D238 HydrophobicContact CB-CB 4.13Å; K233-D238 HydrophobicContact CD-CB 4.28Å
234G81.7Confident86.9Confident1 Ų147.4 Ų47.41%0.0128%0.279CS..BIsolated β-bridgetrans-150.4158.3179.900000114.6G204 K239G204-G234 WeakPolarHBondContact O-CA 3.39Å; G234-K239 PolarHBondContact N-O 2.88Å; G234-K239 PolarHBondContact O-N 3Å
235G81.7Confident86.7Confident12 Ų1246.2 Ų46.212%0.12427%0.273CS..THydrogen-bonded Turntrans93.5176.9-173.700000113K203 L237K203-G235 WeakPolarHBondContact O-CA 3.36Å; K203-G235 PolarHBondContact O-N 3.47Å; G235-L237 PolarHBondContact O-N 3.34Å
236S74.3Confident86.6Confident120 Ų12042.8 Ų42.884%0.83924%0.238SC*.THydrogen-bonded Turntrans-71.8-7.9175.356.50000114.1
237L72.2Confident86.4Confident106 Ų10640 Ų4056%0.55523%0.233SC*.THydrogen-bonded Turntrans-120.713.6-175.5-67.5171.1000111.5G235 K239G235-L237 PolarHBondContact O-N 3.34Å; L237-K239 HydrophobicContact CB-CD 4.38Å; L237-K239 HydrophobicContact CB-CG 3.97Å; L237-K239 PolarHBondContact O-N 3.44Å; L237-K239 VanDerWaalsContact O-N 3.07Å
238D80.1Confident86.2Confident107 Ų10739.4 Ų39.457%0.57222%0.218SC*.THydrogen-bonded Turntrans46.541.9-179.1-72.7-26.8000114.2K233K233-D238 HydrophobicContact CB-CB 4.13Å; K233-D238 HydrophobicContact CD-CB 4.28Å
239K83.9Confident85.8Confident41 Ų4143.5 Ų43.518%0.17825%0.246CC..BIsolated β-bridgetrans-72.9140.8-178.1-73-173.3175.2-166.90109.7H209 G234 L237 H243H209-K239 PolarHBondContact NE2-O 3.48Å; G234-K239 PolarHBondContact N-O 2.88Å; G234-K239 PolarHBondContact O-N 3Å; L237-K239 HydrophobicContact CB-CD 4.38Å; L237-K239 HydrophobicContact CB-CG 3.97Å; L237-K239 PolarHBondContact O-N 3.44Å; L237-K239 VanDerWaalsContact O-N 3.07Å; K239-H243 HydrophobicContact CB-CB 3.84Å; K239-H243 HydrophobicContact CD-CB 4.3Å; K239-H243 HydrophobicContact CG-CB 4.04Å
240T88.9Confident85.5Confident10 Ų1041.7 Ų41.76%0.06124%0.243CC..  trans-77.3167.2166.973.50000110.1L242 H243 C244T240-L242 PolarHBondContact O-N 2.8Å; T240-L242 PolarHBondContact OG1-N 2.8Å; T240-H243 PolarHBondContact N-ND1 2.84Å; T240-H243 WeakPolarHBondContact O-CB 3.46Å; T240-H243 PolarHBondContact O-N 3.48Å; T240-H243 PolarHBondContact OG1-N 2.88Å; T240-H243 PolarHBondContact OG1-ND1 3.49Å; T240-C244 PolarHBondContact O-N 3.36Å; T240-C244 PolarHBondContact O-SG 3.13Å
241P90.1Very high85.5Confident0 Ų044.8 Ų44.80%027%0.27CS..Hα-helixtrans-54-38.2170.3-24.233.9000112.4L208 V212 V230 C244 A245 L260L208-P241 HydrophobicContact CD2-CB 4.13Å; L208-P241 HydrophobicContact CD2-CG 3.67Å; L208-P241 HydrophobicContact CG-CB 4.22Å; L208-P241 HydrophobicContact CG-CG 4.08Å; V212-P241 HydrophobicContact CG2-CB 4.32Å; V230-P241 WeakPolarHBondContact O-CD 3.36Å; P241-C244 WeakPolarHBondContact O-CA 3.45Å; P241-C244 WeakPolarHBondContact O-CB 3.3Å; P241-C244 PolarHBondContact O-N 3.34Å; P241-C244 VanDerWaalsContact O-N 3.11Å; P241-A245 PolarHBondContact O-N 3.33Å; P241-L260 HydrophobicContact CB-CD1 3.92Å; P241-L260 HydrophobicContact CB-CD2 3.78Å
242L90Very high85.5Confident1 Ų145.9 Ų45.91%0.00527%0.274CS..Hα-helixtrans-64.6-42.8177.3-172.967.3000111.9T240 C244 A245 A246 A257 L260 V261 A265 D266 A267 A273T240-L242 PolarHBondContact O-N 2.8Å; T240-L242 PolarHBondContact OG1-N 2.8Å; L242-C244 PolarHBondContact O-N 3.26Å; L242-A245 PolarHBondContact O-N 3.21Å; L242-A245 VanDerWaalsContact O-N 3.14Å; L242-A246 WeakPolarHBondContact O-CB 3.49Å; L242-A246 PolarHBondContact O-N 3.18Å; L242-A257 HydrophobicContact CD1-CB 4.29Å; L242-L260 HydrophobicContact CD1-CB 4.25Å; L242-V261 HydrophobicContact CD1-CG2 3.79Å; L242-V261 HydrophobicContact CD2-CG2 4.49Å; L242-A265 HydrophobicContact CB-CB 4.11Å; L242-A265 HydrophobicContact CD1-CB 4.45Å; L242-A265 HydrophobicContact CD2-CB 4.04Å; L242-A265 HydrophobicContact CG-CB 4.43Å; L242-D266 WeakPolarHBondContact CD2-O 3.19Å; L242-A267 HydrophobicContact CD2-CB 4.22Å; L242-A273 HydrophobicContact CD2-CB 4.01Å; L242-A273 HydrophobicContact CG-CB 4Å
243H88.5Confident85.6Confident16 Ų1645.6 Ų45.67%0.07427%0.272CS..Hα-helixtrans-61.8-33.7172.3-66.699.5000112.3K239 T240 S247 N269 E271 L276K239-H243 HydrophobicContact CB-CB 3.84Å; K239-H243 HydrophobicContact CD-CB 4.3Å; K239-H243 HydrophobicContact CG-CB 4.04Å; T240-H243 PolarHBondContact N-ND1 2.84Å; T240-H243 WeakPolarHBondContact O-CB 3.46Å; T240-H243 PolarHBondContact O-N 3.48Å; T240-H243 PolarHBondContact OG1-N 2.88Å; T240-H243 PolarHBondContact OG1-ND1 3.49Å; H243-S247 WeakPolarHBondContact O-CB 3.34Å; H243-S247 PolarHBondContact O-N 3.06Å; H243-N269 PolarHBondContact CE1-OD1 2.91Å; H243-N269 PolarHBondContact NE2-O 3.36Å; H243-E271 PolarHBondContact CD2-O 3.21Å; H243-E271 PolarHBondContact NE2-O 3.34Å; H243-L276 HydrophobicContact CB-CD1 3.74Å; H243-L276 WeakPolarHBondContact O-CD1 3.31Å
244C88Confident85.8Confident1 Ų140.7 Ų40.71%0.00725%0.252CS..Hα-helixtrans-68.4-41.3173.9-67.60000111.4V212 T240 P241 L242 S247 L248V212-C244 HydrophobicContact CG1-CB 4.02Å; T240-C244 PolarHBondContact O-N 3.36Å; T240-C244 PolarHBondContact O-SG 3.13Å; P241-C244 WeakPolarHBondContact O-CA 3.45Å; P241-C244 WeakPolarHBondContact O-CB 3.3Å; P241-C244 PolarHBondContact O-N 3.34Å; P241-C244 VanDerWaalsContact O-N 3.11Å; L242-C244 PolarHBondContact O-N 3.26Å; C244-S247 PolarHBondContact O-N 3.2Å; C244-S247 PolarHBondContact O-OG 2.89Å; C244-L248 WeakPolarHBondContact O-CD1 3.44Å; C244-L248 WeakPolarHBondContact O-CG 3.34Å
245A90.1Very high86.3Confident0 Ų045.7 Ų45.70%028%0.275CS..Hα-helixtrans-63.5-47.9176.300000111.7V212 P241 L242 S247 L248 A257 L260 M285V212-A245 HydrophobicContact CG1-CB 3.76Å; P241-A245 PolarHBondContact O-N 3.33Å; L242-A245 PolarHBondContact O-N 3.21Å; L242-A245 VanDerWaalsContact O-N 3.14Å; A245-S247 PolarHBondContact O-N 3Å; A245-L248 PolarHBondContact O-N 2.84Å; A245-A257 HydrophobicContact CB-CB 3.96Å; A245-L260 HydrophobicContact CB-CD1 4.1Å; A245-M285 WeakPolarHBondContact O-CE 3.41Å
246A88.4Confident86.8Confident1 Ų145.2 Ų45.21%0.00827%0.27CS..Hα-helixtrans-65.6-17.7178.200000113.9L242 L248 A273 L276L242-A246 WeakPolarHBondContact O-CB 3.49Å; L242-A246 PolarHBondContact O-N 3.18Å; A246-L248 VanDerWaalsContact C-N 3.33Å; A246-A273 HydrophobicContact CB-CB 3.98Å; A246-A273 WeakPolarHBondContact CB-O 3.42Å; A246-L276 HydrophobicContact CB-CB 3.98Å; A246-L276 CarbonylContact O-C 3.6Å
247S87.1Confident87.5Confident44 Ų4439.5 Ų39.531%0.30823%0.23SC..THydrogen-bonded Turntrans-84.2-5.9174.8750000114.5H243 C244 A245 T280H243-S247 WeakPolarHBondContact O-CB 3.34Å; H243-S247 PolarHBondContact O-N 3.06Å; C244-S247 PolarHBondContact O-N 3.2Å; C244-S247 PolarHBondContact O-OG 2.89Å; A245-S247 PolarHBondContact O-N 3Å; S247-T280 WeakPolarHBondContact O-CG2 3.42Å
248L88.1Confident88.4Confident41 Ų4136.3 Ų36.322%0.21521%0.214CC..SBendtrans-106.8158.5179.8-62.4158.4000109.1V212 C244 A245 A246 A253V212-L248 VanDerWaalsContact O-CD1 3.29Å; V212-L248 WeakPolarHBondContact O-CD1 3.31Å; C244-L248 WeakPolarHBondContact O-CD1 3.44Å; C244-L248 WeakPolarHBondContact O-CG 3.34Å; A245-L248 PolarHBondContact O-N 2.84Å; A246-L248 VanDerWaalsContact C-N 3.33Å; L248-A253 HydrophobicContact CB-CB 3.73Å
249S84Confident88.9Confident94 Ų9432.8 Ų32.866%0.65719%0.194SC*.  trans-116.1141.1176.761.10000111.2D282S249-D282 WeakPolarHBondContact CA-OD2 3.36Å
250G86.3Confident89.3Confident31 Ų3130.8 Ų30.832%0.3219%0.185SC..SBendtrans115.8164.316900000114.8K252 A253 V254 D282G250-K252 VanDerWaalsContact C-N 3.31Å; G250-K252 PolarHBondContact O-N 3.1Å; G250-K252 VanDerWaalsContact O-N 3.12Å; G250-A253 WeakPolarHBondContact O-CA 3.31Å; G250-A253 WeakPolarHBondContact O-CB 3.34Å; G250-A253 PolarHBondContact O-N 3.24Å; G250-V254 PolarHBondContact O-N 2.92Å; G250-V254 VanDerWaalsContact O-N 3.15Å; G250-D282 PolarHBondContact N-OD2 3.02Å
251A88.9Confident89.3Confident82 Ų8231.3 Ų31.368%0.67819%0.188SC*.Hα-helixtrans-53.5-39.9-169.800000114.8A253 V254 Q255A251-A253 VanDerWaalsContact C-N 3.32Å; A251-A253 PolarHBondContact O-N 2.87Å; A251-V254 PolarHBondContact O-N 2.79Å; A251-Q255 WeakPolarHBondContact O-CB 3.35Å; A251-Q255 PolarHBondContact O-N 3.32Å
252K89.7Confident89.2Confident123 Ų12338.3 Ų38.354%0.53522%0.219SC..Hα-helixtrans-67.3-31.8177.6-67.9-173.7179.1-178.90112.9C215 G250 C256C215-K252 HydrophobicContact CB-CB 4.04Å; G250-K252 VanDerWaalsContact C-N 3.31Å; G250-K252 PolarHBondContact O-N 3.1Å; G250-K252 VanDerWaalsContact O-N 3.12Å; K252-C256 PolarHBondContact O-N 2.96Å; K252-C256 PolarHBondContact O-SG 3.48Å
253A89.5Confident89.1Confident2 Ų241.1 Ų41.12%0.01724%0.239CC..Hα-helixtrans-71.6-43.2176.200000110.5L248 G250 A251 Q255 C256 A257 M285L248-A253 HydrophobicContact CB-CB 3.73Å; G250-A253 WeakPolarHBondContact O-CA 3.31Å; G250-A253 WeakPolarHBondContact O-CB 3.34Å; G250-A253 PolarHBondContact O-N 3.24Å; A251-A253 VanDerWaalsContact C-N 3.32Å; A251-A253 PolarHBondContact O-N 2.87Å; A253-Q255 VanDerWaalsContact C-N 3.31Å; A253-Q255 PolarHBondContact O-N 2.73Å; A253-C256 WeakPolarHBondContact O-CB 3.26Å; A253-C256 PolarHBondContact O-N 3.11Å; A253-C256 VanDerWaalsContact O-N 3.14Å; A253-A257 PolarHBondContact O-N 2.86Å; A253-M285 HydrophobicContact CB-CE 4.05Å
254V90.8Very high89Confident22 Ų2242.6 Ų42.613%0.13326%0.258CS..Hα-helixtrans-58.2-44.4172.9-179.70000110.5G250 A251 C256 A257 D258 D284 M285 L288G250-V254 PolarHBondContact O-N 2.92Å; G250-V254 VanDerWaalsContact O-N 3.15Å; A251-V254 PolarHBondContact O-N 2.79Å; V254-C256 VanDerWaalsContact C-N 3.34Å; V254-C256 PolarHBondContact O-N 3.19Å; V254-A257 WeakPolarHBondContact O-CB 3.42Å; V254-A257 PolarHBondContact O-N 3.25Å; V254-A257 VanDerWaalsContact O-N 3.17Å; V254-D258 WeakPolarHBondContact O-CB 3.15Å; V254-D258 PolarHBondContact O-N 3.07Å; V254-D284 HydrophobicContact CG2-CB 4.25Å; V254-M285 HydrophobicContact CB-CE 4.48Å; V254-M285 HydrophobicContact CG2-CB 4.23Å; V254-M285 HydrophobicContact CG2-CE 3.91Å; V254-M285 HydrophobicContact CG2-SD 4.38Å; V254-L288 HydrophobicContact CG1-CD1 3.54Å
255Q92Very high88.8Confident106 Ų10643 Ų4350%0.49526%0.261SS..Hα-helixtrans-63.6-36.7175.8-159.8176.422.500112.7A251 A253 M259A251-Q255 WeakPolarHBondContact O-CB 3.35Å; A251-Q255 PolarHBondContact O-N 3.32Å; A253-Q255 VanDerWaalsContact C-N 3.31Å; A253-Q255 PolarHBondContact O-N 2.73Å; Q255-M259 WeakPolarHBondContact O-CG 3.4Å; Q255-M259 PolarHBondContact O-N 3.31Å; Q255-M259 VanDerWaalsContact O-N 3.11Å
256C91.7Very high88.5Confident1 Ų146.7 Ų46.71%0.00728%0.281CS..Hα-helixtrans-68-39.5172.5-67.10000112K252 A253 V254 M259 L260K252-C256 PolarHBondContact O-N 2.96Å; K252-C256 PolarHBondContact O-SG 3.48Å; A253-C256 WeakPolarHBondContact O-CB 3.26Å; A253-C256 PolarHBondContact O-N 3.11Å; A253-C256 VanDerWaalsContact O-N 3.14Å; V254-C256 VanDerWaalsContact C-N 3.34Å; V254-C256 PolarHBondContact O-N 3.19Å; C256-M259 PolarHBondContact O-N 3.48Å; C256-L260 WeakPolarHBondContact O-CD1 3.35Å; C256-L260 VanDerWaalsContact O-CG 3.23Å; C256-L260 WeakPolarHBondContact O-CG 3.41Å; C256-L260 PolarHBondContact O-N 2.88Å
257A89.9Confident87.8Confident1 Ų147.1 Ų47.11%0.00828%0.284CS..Hα-helixtrans-63.4-45.4175.500000111L242 A245 A253 V254 M259 L260 V261 M285L242-A257 HydrophobicContact CD1-CB 4.29Å; A245-A257 HydrophobicContact CB-CB 3.96Å; A253-A257 PolarHBondContact O-N 2.86Å; V254-A257 WeakPolarHBondContact O-CB 3.42Å; V254-A257 PolarHBondContact O-N 3.25Å; V254-A257 VanDerWaalsContact O-N 3.17Å; A257-M259 PolarHBondContact O-N 3.4Å; A257-L260 WeakPolarHBondContact O-CB 3.32Å; A257-L260 PolarHBondContact O-N 3.35Å; A257-L260 VanDerWaalsContact O-N 3.12Å; A257-V261 WeakPolarHBondContact O-CG2 3.41Å; A257-V261 PolarHBondContact O-N 3.39Å; A257-M285 HydrophobicContact CB-CE 4.29Å; A257-M285 HydrophobicContact CB-SD 3.54Å; A257-M285 VanDerWaalsContact CB-SD 3.54Å
258D90.7Very high87.2Confident39 Ų3947.8 Ų47.821%0.20928%0.284CS..Hα-helixtrans-55.3-48.9174.8-175.535.5000111.9V254 L260 V261 K262 L288V254-D258 WeakPolarHBondContact O-CB 3.15Å; V254-D258 PolarHBondContact O-N 3.07Å; D258-L260 VanDerWaalsContact C-N 3.33Å; D258-L260 PolarHBondContact O-N 2.59Å; D258-V261 PolarHBondContact O-N 2.9Å; D258-K262 VanDerWaalsContact CG-NZ 3.26Å; D258-K262 WeakPolarHBondContact O-CB 3.39Å; D258-K262 WeakPolarHBondContact O-CG 3.49Å; D258-K262 PolarHBondContact O-N 3.42Å; D258-K262 WeakPolarHBondContact OD1-CE 3.42Å; D258-K262 IonicContact OD1-NZ 2.84Å; D258-K262 PolarHBondContact OD1-NZ 2.86Å; D258-K262 IonicContact OD2-NZ 2.8Å; D258-K262 PolarHBondContact OD2-NZ 3.44Å; D258-L288 HydrophobicContact CB-CD1 3.87Å
259M91Very high86.1Confident32 Ų3247.3 Ų47.316%0.15828%0.282CS..Hα-helixtrans-62.3-37.9176.2-71.2-172.9-62.700113P217 V220 E221 L224 Q255 C256 A257 S263P217-M259 HydrophobicContact CB-CE 3.51Å; V220-M259 HydrophobicContact CB-CE 4.06Å; V220-M259 HydrophobicContact CG1-CE 3.98Å; E221-M259 HydrophobicContact CB-SD 4Å; L224-M259 HydrophobicContact CD1-CB 4.39Å; Q255-M259 WeakPolarHBondContact O-CG 3.4Å; Q255-M259 PolarHBondContact O-N 3.31Å; Q255-M259 VanDerWaalsContact O-N 3.11Å; C256-M259 PolarHBondContact O-N 3.48Å; A257-M259 PolarHBondContact O-N 3.4Å; M259-S263 VanDerWaalsContact O-CB 3.31Å; M259-S263 WeakPolarHBondContact O-CB 3.32Å; M259-S263 PolarHBondContact O-N 2.98Å; M259-S263 VanDerWaalsContact O-N 3.08Å; M259-S263 PolarHBondContact O-OG 3.35Å
260L91.5Very high85Confident0 Ų045.3 Ų45.30%028%0.276CS..Hα-helixtrans-68-45.7177.4-73.4167.2000111.4L208 V212 L224 V230 P241 L242 A245 C256 A257 D258 S263 G264 A265L208-L260 HydrophobicContact CD2-CD2 4.4Å; V212-L260 HydrophobicContact CG1-CD1 4.49Å; V212-L260 HydrophobicContact CG2-CD1 4.05Å; L224-L260 HydrophobicContact CD1-CD2 4.39Å; L224-L260 HydrophobicContact CD2-CD2 4.28Å; V230-L260 HydrophobicContact CG1-CD2 4.1Å; P241-L260 HydrophobicContact CB-CD1 3.92Å; P241-L260 HydrophobicContact CB-CD2 3.78Å; L242-L260 HydrophobicContact CD1-CB 4.25Å; A245-L260 HydrophobicContact CB-CD1 4.1Å; C256-L260 WeakPolarHBondContact O-CD1 3.35Å; C256-L260 VanDerWaalsContact O-CG 3.23Å; C256-L260 WeakPolarHBondContact O-CG 3.41Å; C256-L260 PolarHBondContact O-N 2.88Å; A257-L260 WeakPolarHBondContact O-CB 3.32Å; A257-L260 PolarHBondContact O-N 3.35Å; A257-L260 VanDerWaalsContact O-N 3.12Å; D258-L260 VanDerWaalsContact C-N 3.33Å; D258-L260 PolarHBondContact O-N 2.59Å; L260-S263 CarbonylContact O-C 3.47Å; L260-S263 PolarHBondContact O-N 3.15Å; L260-S263 VanDerWaalsContact O-N 3.14Å; L260-G264 PolarHBondContact O-N 3.11Å; L260-A265 VanDerWaalsContact C-CB 3.49Å; L260-A265 HydrophobicContact CB-CB 3.99Å; L260-A265 WeakPolarHBondContact O-CB 3.44Å; L260-A265 PolarHBondContact O-N 3.19Å
261V88.5Confident84.1Confident20 Ų2044.8 Ų44.812%0.12127%0.266CS..Hα-helixtrans-62.1-47.1177.8175.10000110.2L242 A257 D258 S263 G264 E292L242-V261 HydrophobicContact CD1-CG2 3.79Å; L242-V261 HydrophobicContact CD2-CG2 4.49Å; A257-V261 WeakPolarHBondContact O-CG2 3.41Å; A257-V261 PolarHBondContact O-N 3.39Å; D258-V261 PolarHBondContact O-N 2.9Å; V261-S263 PolarHBondContact O-N 3.03Å; V261-G264 PolarHBondContact O-N 3.28Å; V261-E292 HydrophobicContact CG1-CB 4.04Å; V261-E292 HydrophobicContact CG1-CG 3.83Å
262K88.6Confident83.4Confident148 Ų14840.9 Ų40.964%0.64323%0.233SC*.Hα-helixtrans-59.3-27.7173.8-75.6171.7176.1160.10114D258 G264D258-K262 VanDerWaalsContact CG-NZ 3.26Å; D258-K262 WeakPolarHBondContact O-CB 3.39Å; D258-K262 WeakPolarHBondContact O-CG 3.49Å; D258-K262 PolarHBondContact O-N 3.42Å; D258-K262 WeakPolarHBondContact OD1-CE 3.42Å; D258-K262 IonicContact OD1-NZ 2.84Å; D258-K262 PolarHBondContact OD1-NZ 2.86Å; D258-K262 IonicContact OD2-NZ 2.8Å; D258-K262 PolarHBondContact OD2-NZ 3.44Å; K262-G264 VanDerWaalsContact C-N 3.3Å
263S88.5Confident83Confident60 Ų6035 Ų3542%0.4221%0.208SC..THydrogen-bonded Turntrans-89.18.3177.2-53.60000113.4M259 L260 V261M259-S263 VanDerWaalsContact O-CB 3.31Å; M259-S263 WeakPolarHBondContact O-CB 3.32Å; M259-S263 PolarHBondContact O-N 2.98Å; M259-S263 VanDerWaalsContact O-N 3.08Å; M259-S263 PolarHBondContact O-OG 3.35Å; L260-S263 CarbonylContact O-C 3.47Å; L260-S263 PolarHBondContact O-N 3.15Å; L260-S263 VanDerWaalsContact O-N 3.14Å; V261-S263 PolarHBondContact O-N 3.03Å
264G86.2Confident82.9Confident46 Ų4635 Ų3547%0.47421%0.207SC..THydrogen-bonded Turntrans95.519.4175.900000115.4H231 L260 V261 K262 D266H231-G264 PolarHBondContact CE1-O 3.17Å; L260-G264 PolarHBondContact O-N 3.11Å; V261-G264 PolarHBondContact O-N 3.28Å; K262-G264 VanDerWaalsContact C-N 3.3Å; G264-D266 PolarHBondContact O-N 2.89Å
265A84.3Confident82.7Confident9 Ų934 Ų347%0.07420%0.201CC..  trans-67.8118.317400000111.2V230 L242 L260 A267V230-A265 HydrophobicContact CG1-CB 3.57Å; L242-A265 HydrophobicContact CB-CB 4.11Å; L242-A265 HydrophobicContact CD1-CB 4.45Å; L242-A265 HydrophobicContact CD2-CB 4.04Å; L242-A265 HydrophobicContact CG-CB 4.43Å; L260-A265 VanDerWaalsContact C-CB 3.49Å; L260-A265 HydrophobicContact CB-CB 3.99Å; L260-A265 WeakPolarHBondContact O-CB 3.44Å; L260-A265 PolarHBondContact O-N 3.19Å; A265-A267 PolarHBondContact O-N 3.45Å
266D82.2Confident82.4Confident78 Ų7829.4 Ų29.442%0.41718%0.18SC..  trans-66.6126.6173.5178.216.5000110.6L242 G264 N268 N269L242-D266 WeakPolarHBondContact CD2-O 3.19Å; G264-D266 PolarHBondContact O-N 2.89Å; D266-N268 PolarHBondContact OD1-N 3.43Å; D266-N269 PolarHBondContact O-ND2 3Å; D266-N269 PolarHBondContact O-OD1 2.97Å
267A73.8Confident82.2Confident10 Ų1029.4 Ų29.48%0.08318%0.18CC..SBendtrans-88.6-14178.700000113.5L242 A265 L289L242-A267 HydrophobicContact CD2-CB 4.22Å; A265-A267 PolarHBondContact O-N 3.45Å; A267-L289 HydrophobicContact CB-CD2 4.33Å
268N74.7Confident82.1Confident58 Ų5829.3 Ų29.331%0.3118%0.179SC..SBendtrans-103.221.7-169.4-71.7-39000113.9D266 E293 N295 I298D266-N268 PolarHBondContact OD1-N 3.43Å; N268-E293 PolarHBondContact ND2-O 2.93Å; N268-N295 PolarHBondContact OD1-N 2.96Å; N268-N295 VanDerWaalsContact OD1-N 3.08Å; N268-I298 HydrophobicContact CB-CD1 3.81Å; N268-I298 WeakPolarHBondContact OD1-CD1 3.39Å
269N65Low81.9Confident32 Ų3232.3 Ų32.317%0.17119%0.188CC..SBendtrans-93128.4-176.535.423000112.7H243 D266 E271 T272H243-N269 PolarHBondContact CE1-OD1 2.91Å; H243-N269 PolarHBondContact NE2-O 3.36Å; D266-N269 PolarHBondContact O-ND2 3Å; D266-N269 PolarHBondContact O-OD1 2.97Å; N269-E271 CarbonylContact O-C 3.49Å; N269-E271 PolarHBondContact O-N 3.43Å; N269-T272 PolarHBondContact O-N 3.2Å
270G60.6Low81.6Confident51 Ų5132.9 Ų32.953%0.52619%0.193SC..SBendtrans48.1-126171.400000115T272G270-T272 PolarHBondContact O-N 2.83Å
271E67Low81.3Confident21 Ų2133.5 Ų33.510%0.09820%0.2CC..SBendtrans-7082.9168.8-161-178.5-160.700109.2H243 N269 H275 R279 Y302H243-E271 PolarHBondContact CD2-O 3.21Å; H243-E271 PolarHBondContact NE2-O 3.34Å; N269-E271 CarbonylContact O-C 3.49Å; N269-E271 PolarHBondContact O-N 3.43Å; E271-H275 HydrophobicContact CG-CB 4.4Å; E271-R279 IonicContact OE1-NH1 3.82Å; E271-Y302 WeakPolarHBondContact OE1-CD2 3.21Å; E271-Y302 VanDerWaalsContact OE1-CE2 3.23Å; E271-Y302 WeakPolarHBondContact OE1-CE2 3.35Å
272T74.2Confident81.2Confident0 Ų033.8 Ų33.80%020%0.2CC..  trans-48.3147.1-166.952.40000113.4N269 G270 L274 H275 L276 I298N269-T272 PolarHBondContact O-N 3.2Å; G270-T272 PolarHBondContact O-N 2.83Å; T272-L274 PolarHBondContact O-N 3.46Å; T272-H275 PolarHBondContact N-ND1 3.34Å; T272-H275 WeakPolarHBondContact O-CB 3.34Å; T272-H275 PolarHBondContact O-N 3.33Å; T272-H275 PolarHBondContact OG1-CE1 3.36Å; T272-H275 PolarHBondContact OG1-ND1 3.31Å; T272-L276 PolarHBondContact O-N 3.02Å; T272-I298 HydrophobicContact CG2-CB 4.01Å; T272-I298 HydrophobicContact CG2-CD1 3.87Å; T272-I298 HydrophobicContact CG2-CG2 3.68Å
273A82.2Confident81.2Confident0 Ų030 Ų300%019%0.185CC..Hα-helixtrans-49.1-32.5174.800000112.1L242 A246 H275 L276 A277 L289L242-A273 HydrophobicContact CD2-CB 4.01Å; L242-A273 HydrophobicContact CG-CB 4Å; A246-A273 HydrophobicContact CB-CB 3.98Å; A246-A273 WeakPolarHBondContact CB-O 3.42Å; A273-H275 PolarHBondContact O-N 3.02Å; A273-L276 PolarHBondContact O-N 3.19Å; A273-A277 PolarHBondContact O-N 3.46Å; A273-L289 HydrophobicContact CB-CD1 4.03Å; A273-L289 HydrophobicContact CB-CD2 4.02Å
274L87.4Confident81.2Confident1 Ų132.2 Ų32.21%0.00519%0.192CC..Hα-helixtrans-60.5-41.6174.4-167.370.9000113.2T272 L276 A277 C278 V286 L289 L290 P296 A306T272-L274 PolarHBondContact O-N 3.46Å; L274-L276 VanDerWaalsContact C-N 3.31Å; L274-L276 PolarHBondContact O-N 3.18Å; L274-A277 PolarHBondContact O-N 2.97Å; L274-C278 PolarHBondContact O-N 3.01Å; L274-C278 PolarHBondContact O-SG 3.48Å; L274-V286 HydrophobicContact CD1-CG1 4.26Å; L274-L289 HydrophobicContact CD1-CB 4.05Å; L274-L289 HydrophobicContact CD1-CD1 4.48Å; L274-L290 HydrophobicContact CD1-CD2 4.25Å; L274-L290 HydrophobicContact CD1-CG 4.19Å; L274-L290 HydrophobicContact CD2-CD2 4.35Å; L274-P296 HydrophobicContact CD2-CB 3.92Å; L274-A306 HydrophobicContact CD2-CB 3.84Å; L274-A306 HydrophobicContact CG-CB 4.15Å
275H86.5Confident81.3Confident1 Ų130.1 Ų30.11%0.00517%0.17CC..Hα-helixtrans-62.2-39.7175.1-68.897.8000112.1E271 T272 A273 R279 I298 S300 E304 T305 A306E271-H275 HydrophobicContact CG-CB 4.4Å; T272-H275 PolarHBondContact N-ND1 3.34Å; T272-H275 WeakPolarHBondContact O-CB 3.34Å; T272-H275 PolarHBondContact O-N 3.33Å; T272-H275 PolarHBondContact OG1-CE1 3.36Å; T272-H275 PolarHBondContact OG1-ND1 3.31Å; A273-H275 PolarHBondContact O-N 3.02Å; H275-R279 PolarHBondContact O-N 2.92Å; H275-R279 VanDerWaalsContact O-N 3.15Å; H275-I298 PolarHBondContact CE1-O 3.39Å; H275-I298 PolarHBondContact NE2-O 2.89Å; H275-S300 PolarHBondContact CE1-N 3.18Å; H275-E304 PolarHBondContact NE2-O 3.48Å; H275-T305 VanDerWaalsContact NE2-C 3.29Å; H275-T305 WeakPolarHBondContact NE2-CA 3.42Å; H275-A306 PolarHBondContact NE2-N 3.39Å
276L85.7Confident81.5Confident10 Ų1029.7 Ų29.75%0.05217%0.167CC..Hα-helixtrans-68.7-40.1178.1-68.1173.9000111.1H243 A246 T272 A273 L274 R279 T280H243-L276 HydrophobicContact CB-CD1 3.74Å; H243-L276 WeakPolarHBondContact O-CD1 3.31Å; A246-L276 HydrophobicContact CB-CB 3.98Å; A246-L276 CarbonylContact O-C 3.6Å; T272-L276 PolarHBondContact O-N 3.02Å; A273-L276 PolarHBondContact O-N 3.19Å; L274-L276 VanDerWaalsContact C-N 3.31Å; L274-L276 PolarHBondContact O-N 3.18Å; L276-R279 WeakPolarHBondContact O-CA 3.32Å; L276-R279 VanDerWaalsContact O-CB 3.28Å; L276-R279 WeakPolarHBondContact O-CB 3.16Å; L276-R279 PolarHBondContact O-N 2.76Å; L276-T280 PolarHBondContact O-N 3.31Å; L276-T280 PolarHBondContact O-OG1 2.99Å
277A87.8Confident81.8Confident0 Ų029 Ų290%016%0.163CC..Hα-helixtrans-63.8-41.5174.200000112.3A273 L274 R279 T280 G281 M285 V286 L289A273-A277 PolarHBondContact O-N 3.46Å; L274-A277 PolarHBondContact O-N 2.97Å; A277-R279 PolarHBondContact O-N 2.68Å; A277-T280 PolarHBondContact O-N 2.91Å; A277-T280 PolarHBondContact O-OG1 3.34Å; A277-G281 PolarHBondContact O-N 3.19Å; A277-M285 HydrophobicContact CB-CB 4.36Å; A277-M285 HydrophobicContact CB-CG 3.87Å; A277-V286 HydrophobicContact CB-CG2 3.78Å; A277-L289 HydrophobicContact CB-CD1 3.85Å
278C88.7Confident82.5Confident0 Ų030.1 Ų30.10%017%0.167CC..Hα-helixtrans-66.1-15.7171.9-65.60000113.3L274 V309 N313 F315L274-C278 PolarHBondContact O-N 3.01Å; L274-C278 PolarHBondContact O-SG 3.48Å; C278-V309 HydrophobicContact CB-CB 4.21Å; C278-V309 HydrophobicContact CB-CG1 4.03Å; C278-N313 PolarHBondContact O-ND2 3.41Å; C278-F315 WeakPolarHBondContact O-CD2 3.2Å; C278-F315 WeakPolarHBondContact O-CE2 3.42Å
279R86.4Confident83.1Confident102 Ų10227.4 Ų27.439%0.38515%0.153SC..Hα-helixtrans-89-36.3177.2-149.3-178.7-155.4122.3-1.5112.6E271 H275 L276 A277 V309E271-R279 IonicContact OE1-NH1 3.82Å; H275-R279 PolarHBondContact O-N 2.92Å; H275-R279 VanDerWaalsContact O-N 3.15Å; L276-R279 WeakPolarHBondContact O-CA 3.32Å; L276-R279 VanDerWaalsContact O-CB 3.28Å; L276-R279 WeakPolarHBondContact O-CB 3.16Å; L276-R279 PolarHBondContact O-N 2.76Å; A277-R279 PolarHBondContact O-N 2.68Å; R279-V309 HydrophobicContact CB-CG1 4.05Å; R279-V309 HydrophobicContact CG-CG1 4.22Å
280T84.4Confident84.1Confident43 Ų4326.7 Ų26.726%0.26415%0.149SC..Hα-helixtrans-76-31.7174.354.50000111.5S247 L276 A277S247-T280 WeakPolarHBondContact O-CG2 3.42Å; L276-T280 PolarHBondContact O-N 3.31Å; L276-T280 PolarHBondContact O-OG1 2.99Å; A277-T280 PolarHBondContact O-N 2.91Å; A277-T280 PolarHBondContact O-OG1 3.34Å
281G84.8Confident85.2Confident14 Ų1428.1 Ų28.114%0.14416%0.155CC..THydrogen-bonded Turntrans79.228.3179.700000113.2A277A277-G281 PolarHBondContact O-N 3.19Å
282D86.2Confident85.7Confident25 Ų2532 Ų3213%0.13417%0.174CC..  trans-89107.5178.5-155.5-12000109.7S249 G250 M285 V286S249-D282 WeakPolarHBondContact CA-OD2 3.36Å; G250-D282 PolarHBondContact N-OD2 3.02Å; D282-M285 HydrophobicContact CB-CB 3.95Å; D282-M285 PolarHBondContact O-N 3.14Å; D282-V286 WeakPolarHBondContact O-CG2 3.47Å; D282-V286 PolarHBondContact O-N 3.31Å
283E88Confident85.6Confident70 Ų7039.9 Ų39.933%0.32721%0.211SC..Hα-helixtrans-66.4-41.8-172.7-67.6-176-176.400111.8M285 V286 D287 N317 I318E283-M285 VanDerWaalsContact C-N 3.28Å; E283-M285 PolarHBondContact O-N 3.35Å; E283-V286 PolarHBondContact O-N 2.81Å; E283-V286 VanDerWaalsContact O-N 3.15Å; E283-D287 PolarHBondContact O-N 3.1Å; E283-N317 WeakPolarHBondContact OE1-CB 3.46Å; E283-N317 PolarHBondContact OE1-ND2 3.18Å; E283-I318 HydrophobicContact CG-CD1 4.44Å; E283-I318 HydrophobicContact CG-CG1 4.1Å
284D88.8Confident85.2Confident106 Ų10640.1 Ų40.157%0.56721%0.212SC*.Hα-helixtrans-64-35.9-179.7-63.2-23.8000111.5V254 D287 L288V254-D284 HydrophobicContact CG2-CB 4.25Å; D284-D287 PolarHBondContact O-N 2.63Å; D284-L288 WeakPolarHBondContact O-CB 3.39Å; D284-L288 PolarHBondContact O-N 3.25Å
285M89.7Confident84.8Confident1 Ų143.9 Ų43.91%0.00523%0.232CC..Hα-helixtrans-67.8-40.4175.3-170.977.373.200111.5A245 A253 V254 A257 A277 D282 E283 L288 L289A245-M285 WeakPolarHBondContact O-CE 3.41Å; A253-M285 HydrophobicContact CB-CE 4.05Å; V254-M285 HydrophobicContact CB-CE 4.48Å; V254-M285 HydrophobicContact CG2-CB 4.23Å; V254-M285 HydrophobicContact CG2-CE 3.91Å; V254-M285 HydrophobicContact CG2-SD 4.38Å; A257-M285 HydrophobicContact CB-CE 4.29Å; A257-M285 HydrophobicContact CB-SD 3.54Å; A257-M285 VanDerWaalsContact CB-SD 3.54Å; A277-M285 HydrophobicContact CB-CB 4.36Å; A277-M285 HydrophobicContact CB-CG 3.87Å; D282-M285 HydrophobicContact CB-CB 3.95Å; D282-M285 PolarHBondContact O-N 3.14Å; E283-M285 VanDerWaalsContact C-N 3.28Å; E283-M285 PolarHBondContact O-N 3.35Å; M285-L288 PolarHBondContact O-N 2.95Å; M285-L289 HydrophobicContact CG-CD1 4.23Å; M285-L289 WeakPolarHBondContact O-CB 3.32Å; M285-L289 VanDerWaalsContact O-CG 3.29Å; M285-L289 WeakPolarHBondContact O-CG 3.3Å; M285-L289 PolarHBondContact O-N 3.49Å
286V88.6Confident84.4Confident1 Ų143.9 Ų43.91%0.00623%0.232CC..Hα-helixtrans-65.8-42.3176.4171.30000110.4L274 A277 D282 E283 L289 L290 I318L274-V286 HydrophobicContact CD1-CG1 4.26Å; A277-V286 HydrophobicContact CB-CG2 3.78Å; D282-V286 WeakPolarHBondContact O-CG2 3.47Å; D282-V286 PolarHBondContact O-N 3.31Å; E283-V286 PolarHBondContact O-N 2.81Å; E283-V286 VanDerWaalsContact O-N 3.15Å; V286-L289 PolarHBondContact O-N 2.91Å; V286-L290 HydrophobicContact CG1-CD1 3.66Å; V286-L290 HydrophobicContact CG1-CG 4.19Å; V286-L290 WeakPolarHBondContact O-CB 3.38Å; V286-L290 VanDerWaalsContact O-CG 3.27Å; V286-L290 WeakPolarHBondContact O-CG 3.04Å; V286-L290 PolarHBondContact O-N 3.46Å; V286-I318 HydrophobicContact CG1-CG2 4.47Å; V286-I318 HydrophobicContact CG2-CD1 4.33Å; V286-I318 HydrophobicContact CG2-CG2 4.47Å
287D88.3Confident84.1Confident63 Ų6345.4 Ų45.434%0.33724%0.244SC..Hα-helixtrans-63.4-42.3177.2-72.7-12.4000111.6E283 D284 L290 A291 K321E283-D287 PolarHBondContact O-N 3.1Å; D284-D287 PolarHBondContact O-N 2.63Å; D287-L290 PolarHBondContact O-N 3.33Å; D287-A291 VanDerWaalsContact O-CB 3.28Å; D287-A291 WeakPolarHBondContact O-CB 3.47Å; D287-A291 PolarHBondContact O-N 3Å; D287-K321 IonicContact OD1-NZ 3.76Å; D287-K321 PolarHBondContact OD1-NZ 2.84Å; D287-K321 IonicContact OD2-NZ 3.49Å; D287-K321 PolarHBondContact OD2-NZ 3.47Å
288L87.5Confident83.8Confident33 Ų3347.5 Ų47.517%0.17326%0.255CS..Hα-helixtrans-63.1-44.5177-158.7155.2000111.5V254 D258 D284 M285 A291 E292V254-L288 HydrophobicContact CG1-CD1 3.54Å; D258-L288 HydrophobicContact CB-CD1 3.87Å; D284-L288 WeakPolarHBondContact O-CB 3.39Å; D284-L288 PolarHBondContact O-N 3.25Å; M285-L288 PolarHBondContact O-N 2.95Å; L288-A291 PolarHBondContact O-N 2.89Å; L288-E292 WeakPolarHBondContact O-CG 3.5Å; L288-E292 PolarHBondContact O-N 3.39Å
289L87.5Confident83.3Confident2 Ų251.2 Ų51.21%0.0128%0.277CS..Hα-helixtrans-68.8-37.1177.7-70.2170000112.6A267 A273 L274 A277 M285 V286 S294A267-L289 HydrophobicContact CB-CD2 4.33Å; A273-L289 HydrophobicContact CB-CD1 4.03Å; A273-L289 HydrophobicContact CB-CD2 4.02Å; L274-L289 HydrophobicContact CD1-CB 4.05Å; L274-L289 HydrophobicContact CD1-CD1 4.48Å; A277-L289 HydrophobicContact CB-CD1 3.85Å; M285-L289 HydrophobicContact CG-CD1 4.23Å; M285-L289 WeakPolarHBondContact O-CB 3.32Å; M285-L289 VanDerWaalsContact O-CG 3.29Å; M285-L289 WeakPolarHBondContact O-CG 3.3Å; M285-L289 PolarHBondContact O-N 3.49Å; V286-L289 PolarHBondContact O-N 2.91Å; L289-S294 WeakPolarHBondContact O-CB 3.31Å; L289-S294 PolarHBondContact O-N 2.92Å; L289-S294 VanDerWaalsContact O-N 3.16Å; L289-S294 PolarHBondContact O-OG 3.12Å
290L85.3Confident82.8Confident17 Ų1746.7 Ų46.79%0.08926%0.261CS..Hα-helixtrans-71-32176.5-73.8173.1000112.1L274 V286 D287 E292 F325L274-L290 HydrophobicContact CD1-CD2 4.25Å; L274-L290 HydrophobicContact CD1-CG 4.19Å; L274-L290 HydrophobicContact CD2-CD2 4.35Å; V286-L290 HydrophobicContact CG1-CD1 3.66Å; V286-L290 HydrophobicContact CG1-CG 4.19Å; V286-L290 WeakPolarHBondContact O-CB 3.38Å; V286-L290 VanDerWaalsContact O-CG 3.27Å; V286-L290 WeakPolarHBondContact O-CG 3.04Å; V286-L290 PolarHBondContact O-N 3.46Å; D287-L290 PolarHBondContact O-N 3.33Å; L290-E292 VanDerWaalsContact C-N 3.32Å; L290-F325 HydrophobicContact CD2-CE1 4.5Å
291A84.8Confident82.4Confident80 Ų8050.6 Ų50.666%0.66128%0.28SS*.Hα-helixtrans-67.7-30.9175.600000112.9D287 L288 E293D287-A291 VanDerWaalsContact O-CB 3.28Å; D287-A291 WeakPolarHBondContact O-CB 3.47Å; D287-A291 PolarHBondContact O-N 3Å; L288-A291 PolarHBondContact O-N 2.89Å; A291-E293 PolarHBondContact O-N 2.87Å
292E77.3Confident81.7Confident104 Ų10455.9 Ų55.949%0.48630%0.297SS..THydrogen-bonded Turntrans-97.235.7-178.6-64.9-74.4165.300112.4V261 L288 L290 S294V261-E292 HydrophobicContact CG1-CB 4.04Å; V261-E292 HydrophobicContact CG1-CG 3.83Å; L288-E292 WeakPolarHBondContact O-CG 3.5Å; L288-E292 PolarHBondContact O-N 3.39Å; L290-E292 VanDerWaalsContact C-N 3.32Å; E292-S294 PolarHBondContact O-N 3.09Å
293E72Confident81.1Confident165 Ų16556 Ų5677%0.77130%0.304SS*.THydrogen-bonded Turntrans60.329.3173.3-56-171.6167.400116.8N268 A291 N295N268-E293 PolarHBondContact ND2-O 2.93Å; A291-E293 PolarHBondContact O-N 2.87Å; E293-N295 PolarHBondContact O-N 3.41Å
294S73.2Confident80.8Confident4 Ų453 Ų533%0.02829%0.29CS..  trans-67.6128.9170.369.90000111.8L289 E292 P296L289-S294 WeakPolarHBondContact O-CB 3.31Å; L289-S294 PolarHBondContact O-N 2.92Å; L289-S294 VanDerWaalsContact O-N 3.16Å; L289-S294 PolarHBondContact O-OG 3.12Å; E292-S294 PolarHBondContact O-N 3.09Å; S294-P296 VanDerWaalsContact O-CD 3.31Å; S294-P296 WeakPolarHBondContact O-CD 3.49Å
295N79Confident80.7Confident80 Ų8048.1 Ų48.143%0.42826%0.264SS..  trans-84.7115.6-178-93.9-45.4000111.5N268 E293 S297 I298N268-N295 PolarHBondContact OD1-N 2.96Å; N268-N295 VanDerWaalsContact OD1-N 3.08Å; E293-N295 PolarHBondContact O-N 3.41Å; N295-S297 PolarHBondContact O-N 3.18Å; N295-I298 HydrophobicContact CB-CD1 3.72Å; N295-I298 HydrophobicContact CB-CG1 3.85Å; N295-I298 PolarHBondContact O-N 2.82Å
296P79.1Confident80.5Confident1 Ų148 Ų481%0.00626%0.263CS..THydrogen-bonded Turntrans-73.4-11.1-179.831.1-36.3000113.8L274 S294 A306 L322 L329L274-P296 HydrophobicContact CD2-CB 3.92Å; S294-P296 VanDerWaalsContact O-CD 3.31Å; S294-P296 WeakPolarHBondContact O-CD 3.49Å; P296-A306 HydrophobicContact CB-CB 4.44Å; P296-L322 HydrophobicContact CB-CD2 3.98Å; P296-L329 HydrophobicContact CB-CD1 3.88Å; P296-L329 HydrophobicContact CB-CD2 4.29Å; P296-L329 HydrophobicContact CG-CD1 3.92Å; P296-L329 VanDerWaalsContact O-CD2 3.29Å; P296-L329 WeakPolarHBondContact O-CD2 3.44Å
297S79.1Confident80.5Confident42 Ų4248 Ų4829%0.29426%0.263SS..THydrogen-bonded Turntrans-80-17.317858.10000113.7N295 V299N295-S297 PolarHBondContact O-N 3.18Å; S297-V299 PolarHBondContact O-N 3.26Å
298I80.3Confident80.4Confident45 Ų4545 Ų4523%0.23125%0.247CC..PPolyproline II helixtrans-62.8138.9178-62.7169.7000108.6N268 T272 H275 N295N268-I298 HydrophobicContact CB-CD1 3.81Å; N268-I298 WeakPolarHBondContact OD1-CD1 3.39Å; T272-I298 HydrophobicContact CG2-CB 4.01Å; T272-I298 HydrophobicContact CG2-CD1 3.87Å; T272-I298 HydrophobicContact CG2-CG2 3.68Å; H275-I298 PolarHBondContact CE1-O 3.39Å; H275-I298 PolarHBondContact NE2-O 2.89Å; N295-I298 HydrophobicContact CB-CD1 3.72Å; N295-I298 HydrophobicContact CB-CG1 3.85Å; N295-I298 PolarHBondContact O-N 2.82Å
299V78.5Confident80.4Confident77 Ų7743.6 Ų43.647%0.46724%0.24SC..PPolyproline II helixtrans-95132.2178-97.60000110.3S297 G303 T305S297-V299 PolarHBondContact O-N 3.26Å; V299-G303 WeakPolarHBondContact CG1-O 3.43Å; V299-T305 HydrophobicContact CG1-CG2 4.09Å
300S77.1Confident80.4Confident8 Ų843.5 Ų43.56%0.05624%0.239CC..PPolyproline II helixtrans-57169.1168.955.70000112.8H275 Y302 G303 E304H275-S300 PolarHBondContact CE1-N 3.18Å; S300-Y302 PolarHBondContact O-N 2.97Å; S300-Y302 PolarHBondContact OG-N 2.85Å; S300-G303 PolarHBondContact O-N 3.34Å; S300-E304 WeakPolarHBondContact CB-O 3.44Å; S300-E304 PolarHBondContact N-O 3.5Å; S300-E304 WeakPolarHBondContact OG-CA 3.38Å; S300-E304 WeakPolarHBondContact OG-CB 3.29Å; S300-E304 PolarHBondContact OG-N 3.02Å; S300-E304 PolarHBondContact OG-O 3.48Å
301N74.6Confident80.6Confident125 Ų12542.7 Ų42.767%0.66824%0.235SC*.THydrogen-bonded Turntrans-55.1-19.7169.7-61.5-12.1000113.2
302Y70.4Confident80.6Confident124 Ų12443 Ų4349%0.48622%0.222SC..THydrogen-bonded Turntrans-93.8-0.1176.8-55.3-76.9000113E271 S300 E304 K334E271-Y302 WeakPolarHBondContact OE1-CD2 3.21Å; E271-Y302 VanDerWaalsContact OE1-CE2 3.23Å; E271-Y302 WeakPolarHBondContact OE1-CE2 3.35Å; S300-Y302 PolarHBondContact O-N 2.97Å; S300-Y302 PolarHBondContact OG-N 2.85Å; Y302-E304 VanDerWaalsContact C-N 3.28Å; Y302-E304 PolarHBondContact O-N 3.31Å; Y302-K334 VanDerWaalsContact O-CD 3.22Å; Y302-K334 WeakPolarHBondContact O-CD 3.49Å; Y302-K334 WeakPolarHBondContact O-CE 3.29Å; Y302-K334 PolarHBondContact O-NZ 3.48Å
303G74.8Confident80.9Confident27 Ų2739.7 Ų39.728%0.27821%0.207SC..SBendtrans7511.9-175.600000114.6V299 S300 K334V299-G303 WeakPolarHBondContact CG1-O 3.43Å; S300-G303 PolarHBondContact O-N 3.34Å; G303-K334 WeakPolarHBondContact O-CB 3.1Å; G303-K334 WeakPolarHBondContact O-CD 3.43Å; G303-K334 WeakPolarHBondContact O-CG 3.38Å
304E81Confident81.4Confident9 Ų932 Ų324%0.04217%0.171CC..  trans-88.1139.3177.1-58.2-179.5165.300108.7H275 S300 Y302 H308 V309 K334 Y342H275-E304 PolarHBondContact NE2-O 3.48Å; S300-E304 WeakPolarHBondContact CB-O 3.44Å; S300-E304 PolarHBondContact N-O 3.5Å; S300-E304 WeakPolarHBondContact OG-CA 3.38Å; S300-E304 WeakPolarHBondContact OG-CB 3.29Å; S300-E304 PolarHBondContact OG-N 3.02Å; S300-E304 PolarHBondContact OG-O 3.48Å; Y302-E304 VanDerWaalsContact C-N 3.28Å; Y302-E304 PolarHBondContact O-N 3.31Å; E304-H308 HydrophobicContact CB-CB 3.96Å; E304-H308 HydrophobicContact CG-CB 4.48Å; E304-V309 HydrophobicContact CB-CG2 4.09Å; E304-K334 HydrophobicContact CB-CD 4.44Å; E304-K334 HydrophobicContact CG-CD 3.46Å; E304-K334 VanDerWaalsContact CG-CD 3.46Å; E304-K334 IonicContact OE1-NZ 3.98Å; E304-K334 PolarHBondContact OE1-NZ 2.62Å; E304-Y342 PolarHBondContact OE1-OH 2.98Å
305T86.6Confident82.1Confident2 Ų232.8 Ų32.81%0.01217%0.174CC..  trans-84.9168165.967.20000110.3H275 V299 L307 H308 V309 H332H275-T305 VanDerWaalsContact NE2-C 3.29Å; H275-T305 WeakPolarHBondContact NE2-CA 3.42Å; V299-T305 HydrophobicContact CG1-CG2 4.09Å; T305-L307 PolarHBondContact O-N 2.93Å; T305-L307 VanDerWaalsContact O-N 3.16Å; T305-H308 PolarHBondContact N-ND1 3.46Å; T305-H308 WeakPolarHBondContact O-CB 3.39Å; T305-H308 PolarHBondContact O-N 3.3Å; T305-H308 PolarHBondContact OG1-ND1 2.94Å; T305-V309 PolarHBondContact O-N 3.01Å; T305-H332 HydrophobicContact CG2-CB 4.01Å
306A86.1Confident82.3Confident0 Ų030.6 Ų30.60%016%0.163CC..Hα-helixtrans-53.2-36.8174.900000112.4L274 H275 P296 V309 A310 L322L274-A306 HydrophobicContact CD2-CB 3.84Å; L274-A306 HydrophobicContact CG-CB 4.15Å; H275-A306 PolarHBondContact NE2-N 3.39Å; P296-A306 HydrophobicContact CB-CB 4.44Å; A306-V309 PolarHBondContact O-N 3.41Å; A306-A310 WeakPolarHBondContact O-CB 3.37Å; A306-A310 PolarHBondContact O-N 2.98Å; A306-L322 HydrophobicContact CB-CD1 4.11Å; A306-L322 HydrophobicContact CB-CD2 4.2Å
307L87.9Confident82.7Confident0 Ų035.1 Ų35.10%019%0.186CC..Hα-helixtrans-62.6-42.8176.3-173.669.7000112.4T305 V309 A310 V311 T319 L322 V323 L329 A339T305-L307 PolarHBondContact O-N 2.93Å; T305-L307 VanDerWaalsContact O-N 3.16Å; L307-V309 VanDerWaalsContact C-N 3.32Å; L307-V309 PolarHBondContact O-N 3.42Å; L307-A310 PolarHBondContact O-N 3.5Å; L307-V311 WeakPolarHBondContact O-CG2 3.34Å; L307-V311 PolarHBondContact O-N 2.82Å; L307-T319 HydrophobicContact CD1-CG2 4Å; L307-L322 HydrophobicContact CD1-CB 4.18Å; L307-V323 HydrophobicContact CD1-CG2 3.67Å; L307-L329 HydrophobicContact CB-CB 4.43Å; L307-L329 HydrophobicContact CD2-CB 3.92Å; L307-A339 HydrophobicContact CD2-CB 3.81Å; L307-A339 HydrophobicContact CG-CB 4.08Å
308H87.2Confident83.1Confident1 Ų133.2 Ų33.21%0.00517%0.173CC..Hα-helixtrans-62.4-41.7178-68.593.2000111.3E304 T305 K312 H332 A339 Y342E304-H308 HydrophobicContact CB-CB 3.96Å; E304-H308 HydrophobicContact CG-CB 4.48Å; T305-H308 PolarHBondContact N-ND1 3.46Å; T305-H308 WeakPolarHBondContact O-CB 3.39Å; T305-H308 PolarHBondContact O-N 3.3Å; T305-H308 PolarHBondContact OG1-ND1 2.94Å; H308-K312 VanDerWaalsContact O-CB 3.27Å; H308-K312 WeakPolarHBondContact O-CB 3.29Å; H308-K312 PolarHBondContact O-N 2.9Å; H308-H332 PolarHBondContact CE1-O 3.2Å; H308-H332 VanDerWaalsContact CE1-O 3.3Å; H308-H332 PolarHBondContact NE2-O 2.83Å; H308-A339 PolarHBondContact NE2-N 3.23Å; H308-Y342 AromaticContact CD2-CD2 3.6Å; H308-Y342 AromaticContact CD2-CE2 3.61Å
309V86.6Confident83.4Confident2 Ų231 Ų311%0.01216%0.162CC..Hα-helixtrans-68-41.5179.1-178.10000111.2C278 R279 E304 T305 A306 L307 K312 N313C278-V309 HydrophobicContact CB-CB 4.21Å; C278-V309 HydrophobicContact CB-CG1 4.03Å; R279-V309 HydrophobicContact CB-CG1 4.05Å; R279-V309 HydrophobicContact CG-CG1 4.22Å; E304-V309 HydrophobicContact CB-CG2 4.09Å; T305-V309 PolarHBondContact O-N 3.01Å; A306-V309 PolarHBondContact O-N 3.41Å; L307-V309 VanDerWaalsContact C-N 3.32Å; L307-V309 PolarHBondContact O-N 3.42Å; V309-K312 PolarHBondContact O-N 3.1Å; V309-N313 PolarHBondContact O-N 3.12Å; V309-N313 PolarHBondContact O-ND2 3.42Å
310A88.2Confident83.7Confident0 Ų032.6 Ų32.60%016%0.162CC..Hα-helixtrans-63.1-43.6177.600000112.4A306 L307 N313 C314 F315 I318 L322A306-A310 WeakPolarHBondContact O-CB 3.37Å; A306-A310 PolarHBondContact O-N 2.98Å; L307-A310 PolarHBondContact O-N 3.5Å; A310-N313 PolarHBondContact O-N 2.94Å; A310-C314 PolarHBondContact O-N 3.29Å; A310-F315 PolarHBondContact O-N 3.04Å; A310-I318 HydrophobicContact CB-CG2 3.97Å; A310-L322 HydrophobicContact CB-CD1 3.91Å
311V88.3Confident84.1Confident0 Ų035.6 Ų35.60%017%0.174CC..Hα-helixtrans-68.3-41.6178173.40000111.4L307 N313 C314 T319 A339 A343 L364L307-V311 WeakPolarHBondContact O-CG2 3.34Å; L307-V311 PolarHBondContact O-N 2.82Å; V311-N313 PolarHBondContact O-N 3.47Å; V311-C314 PolarHBondContact O-N 3.44Å; V311-T319 HydrophobicContact CG2-CG2 3.68Å; V311-A339 WeakPolarHBondContact CG1-O 3.43Å; V311-A339 HydrophobicContact CG2-CB 4.36Å; V311-A343 HydrophobicContact CG1-CB 3.73Å; V311-L364 HydrophobicContact CG1-CD1 4.49Å; V311-L364 HydrophobicContact CG2-CD1 4.28Å
312K85.4Confident84.6Confident88 Ų8829.6 Ų29.638%0.38314%0.142SC..Hα-helixtrans-58.2-35.4177.3-174.6178.8-1781730113H308 V309 Y342H308-K312 VanDerWaalsContact O-CB 3.27Å; H308-K312 WeakPolarHBondContact O-CB 3.29Å; H308-K312 PolarHBondContact O-N 2.9Å; V309-K312 PolarHBondContact O-N 3.1Å; K312-Y342 HydrophobicContact CB-CD1 3.99Å; K312-Y342 HydrophobicContact CD-CD1 4.24Å; K312-Y342 HydrophobicContact CD-CE1 4.12Å; K312-Y342 HydrophobicContact CG-CD1 4.23Å
313N84.5Confident85.2Confident34 Ų3423.7 Ų23.718%0.18212%0.119CC..THydrogen-bonded Turntrans-94.97179-60.9-43.7000113.5C278 V309 A310 V311 F315C278-N313 PolarHBondContact O-ND2 3.41Å; V309-N313 PolarHBondContact O-N 3.12Å; V309-N313 PolarHBondContact O-ND2 3.42Å; A310-N313 PolarHBondContact O-N 2.94Å; V311-N313 PolarHBondContact O-N 3.47Å; N313-F315 VanDerWaalsContact C-N 3.31Å; N313-F315 HydrophobicContact CB-CD2 3.81Å; N313-F315 HydrophobicContact CB-CE1 4.19Å; N313-F315 HydrophobicContact CB-CE2 3.48Å; N313-F315 VanDerWaalsContact CB-CE2 3.48Å; N313-F315 HydrophobicContact CB-CG 4.35Å; N313-F315 HydrophobicContact CB-CZ 3.71Å; N313-F315 WeakPolarHBondContact O-CE1 3.27Å; N313-F315 PolarHBondContact O-N 2.96Å
314C82.4Confident85.6Confident3 Ų327.1 Ų27.12%0.0213%0.131CC..THydrogen-bonded Turntrans54.836.6-178.3-90.60000114.9A310 V311 L316 D356A310-C314 PolarHBondContact O-N 3.29Å; V311-C314 PolarHBondContact O-N 3.44Å; C314-L316 PolarHBondContact O-N 3.03Å; C314-L316 VanDerWaalsContact O-N 3.13Å; C314-D356 HydrophobicContact CB-CB 4.37Å
315F86.3Confident85.6Confident21 Ų2132.6 Ų32.69%0.09216%0.155CC..  trans-85.585.1174.8-60.2-33.9000111.3C278 A310 N313 N317 I318 T319C278-F315 WeakPolarHBondContact O-CD2 3.2Å; C278-F315 WeakPolarHBondContact O-CE2 3.42Å; A310-F315 PolarHBondContact O-N 3.04Å; N313-F315 VanDerWaalsContact C-N 3.31Å; N313-F315 HydrophobicContact CB-CD2 3.81Å; N313-F315 HydrophobicContact CB-CE1 4.19Å; N313-F315 HydrophobicContact CB-CE2 3.48Å; N313-F315 VanDerWaalsContact CB-CE2 3.48Å; N313-F315 HydrophobicContact CB-CG 4.35Å; N313-F315 HydrophobicContact CB-CZ 3.71Å; N313-F315 WeakPolarHBondContact O-CE1 3.27Å; N313-F315 PolarHBondContact O-N 2.96Å; F315-N317 PolarHBondContact O-N 3.48Å; F315-I318 HydrophobicContact CB-CB 3.93Å; F315-I318 HydrophobicContact CB-CD1 3.87Å; F315-I318 HydrophobicContact CB-CG1 4.1Å; F315-I318 HydrophobicContact CD2-CD1 3.99Å; F315-I318 HydrophobicContact CG-CD1 4.1Å; F315-I318 PolarHBondContact O-N 3.35Å; F315-T319 WeakPolarHBondContact O-CB 3.27Å; F315-T319 PolarHBondContact O-N 3.03Å; F315-T319 PolarHBondContact O-OG1 3.43Å
316L84.7Confident84.9Confident34 Ų3435.7 Ų35.718%0.17817%0.169CC..Hα-helixtrans-56.2-47.3-175-68.5171000113.9C314 T319 K320 D356 T359 A360 I363C314-L316 PolarHBondContact O-N 3.03Å; C314-L316 VanDerWaalsContact O-N 3.13Å; L316-T319 PolarHBondContact O-N 3.1Å; L316-K320 WeakPolarHBondContact O-CB 3.38Å; L316-K320 PolarHBondContact O-N 3.35Å; L316-D356 HydrophobicContact CD1-CB 4.16Å; L316-D356 WeakPolarHBondContact CD1-OD1 3.43Å; L316-T359 WeakPolarHBondContact CD1-OG1 3.29Å; L316-T359 WeakPolarHBondContact CD2-OG1 3.48Å; L316-A360 HydrophobicContact CD2-CB 3.82Å; L316-I363 HydrophobicContact CD2-CD1 4.17Å
317N86.4Confident84.2Confident95 Ų9543.9 Ų43.951%0.50820%0.2SC..Hα-helixtrans-63.2-44.7-180-71.8-6.8000111.8E283 F315 K320 K321E283-N317 WeakPolarHBondContact OE1-CB 3.46Å; E283-N317 PolarHBondContact OE1-ND2 3.18Å; F315-N317 PolarHBondContact O-N 3.48Å; N317-K320 PolarHBondContact O-N 3.4Å; N317-K321 WeakPolarHBondContact O-CB 3.36Å; N317-K321 WeakPolarHBondContact O-CG 3.03Å; N317-K321 PolarHBondContact O-N 3.41Å
318I87.5Confident83.4Confident2 Ų250.1 Ų50.11%0.0123%0.234CC..Hα-helixtrans-65.1-42.3176.7-60.2177.7000110.3E283 V286 A310 F315 K320 K321 L322E283-I318 HydrophobicContact CG-CD1 4.44Å; E283-I318 HydrophobicContact CG-CG1 4.1Å; V286-I318 HydrophobicContact CG1-CG2 4.47Å; V286-I318 HydrophobicContact CG2-CD1 4.33Å; V286-I318 HydrophobicContact CG2-CG2 4.47Å; A310-I318 HydrophobicContact CB-CG2 3.97Å; F315-I318 HydrophobicContact CB-CB 3.93Å; F315-I318 HydrophobicContact CB-CD1 3.87Å; F315-I318 HydrophobicContact CB-CG1 4.1Å; F315-I318 HydrophobicContact CD2-CD1 3.99Å; F315-I318 HydrophobicContact CG-CD1 4.1Å; F315-I318 PolarHBondContact O-N 3.35Å; I318-K320 VanDerWaalsContact C-N 3.32Å; I318-K320 PolarHBondContact O-N 2.95Å; I318-K321 PolarHBondContact O-N 3.45Å; I318-L322 HydrophobicContact CG2-CD1 3.93Å; I318-L322 HydrophobicContact CG2-CG 4.35Å; I318-L322 WeakPolarHBondContact O-CB 3.5Å; I318-L322 WeakPolarHBondContact O-CG 3.49Å; I318-L322 PolarHBondContact O-N 3.01Å
319T87.1Confident82.4Confident0 Ų050.2 Ų50.20%023%0.234CC..Hα-helixtrans-59.5-45.5176.6-53.70000110.4L307 V311 F315 L316 L322 V323L307-T319 HydrophobicContact CD1-CG2 4Å; V311-T319 HydrophobicContact CG2-CG2 3.68Å; F315-T319 WeakPolarHBondContact O-CB 3.27Å; F315-T319 PolarHBondContact O-N 3.03Å; F315-T319 PolarHBondContact O-OG1 3.43Å; L316-T319 PolarHBondContact O-N 3.1Å; T319-L322 PolarHBondContact O-N 2.89Å; T319-V323 WeakPolarHBondContact O-CB 3.44Å; T319-V323 VanDerWaalsContact O-CG2 3.25Å; T319-V323 WeakPolarHBondContact O-CG2 3.35Å; T319-V323 PolarHBondContact O-N 3.02Å
320K85.7Confident81.6Confident110 Ų11050.8 Ų50.848%0.47824%0.237SC..Hα-helixtrans-63.9-47.9177.4-160.7177.8-178.4-178.20111.5L316 N317 I318 L322 V323 D324L316-K320 WeakPolarHBondContact O-CB 3.38Å; L316-K320 PolarHBondContact O-N 3.35Å; N317-K320 PolarHBondContact O-N 3.4Å; I318-K320 VanDerWaalsContact C-N 3.32Å; I318-K320 PolarHBondContact O-N 2.95Å; K320-L322 PolarHBondContact O-N 3.38Å; K320-V323 PolarHBondContact O-N 3.25Å; K320-D324 WeakPolarHBondContact O-CB 3.42Å; K320-D324 VanDerWaalsContact O-CG 3.25Å; K320-D324 PolarHBondContact O-N 3.11Å
321K84.2Confident80.4Confident70 Ų7053.4 Ų53.430%0.30426%0.264SS..Hα-helixtrans-56.7-44.9175.2-78.8-176.7172.2-178.40112.4D287 N317 I318 D324 F325D287-K321 IonicContact OD1-NZ 3.76Å; D287-K321 PolarHBondContact OD1-NZ 2.84Å; D287-K321 IonicContact OD2-NZ 3.49Å; D287-K321 PolarHBondContact OD2-NZ 3.47Å; N317-K321 WeakPolarHBondContact O-CB 3.36Å; N317-K321 WeakPolarHBondContact O-CG 3.03Å; N317-K321 PolarHBondContact O-N 3.41Å; I318-K321 PolarHBondContact O-N 3.45Å; K321-D324 PolarHBondContact O-N 3.08Å; K321-F325 VanDerWaalsContact O-CB 3.27Å; K321-F325 WeakPolarHBondContact O-CB 3.47Å; K321-F325 PolarHBondContact O-N 3.07Å
322L85.8Confident79.3Confident0 Ų057.5 Ų57.50%028%0.283CS..Hα-helixtrans-66-40.8178.5-73.9170.1000112.5P296 A306 L307 A310 I318 T319 K320 Q326P296-L322 HydrophobicContact CB-CD2 3.98Å; A306-L322 HydrophobicContact CB-CD1 4.11Å; A306-L322 HydrophobicContact CB-CD2 4.2Å; L307-L322 HydrophobicContact CD1-CB 4.18Å; A310-L322 HydrophobicContact CB-CD1 3.91Å; I318-L322 HydrophobicContact CG2-CD1 3.93Å; I318-L322 HydrophobicContact CG2-CG 4.35Å; I318-L322 WeakPolarHBondContact O-CB 3.5Å; I318-L322 WeakPolarHBondContact O-CG 3.49Å; I318-L322 PolarHBondContact O-N 3.01Å; T319-L322 PolarHBondContact O-N 2.89Å; K320-L322 PolarHBondContact O-N 3.38Å; L322-Q326 PolarHBondContact O-N 3.25Å; L322-Q326 VanDerWaalsContact O-N 3.09Å
323V83.2Confident78.3Confident0 Ų058.5 Ų58.50%029%0.288CS..Hα-helixtrans-68.6-39.6177.4170.70000111.5L307 T319 K320 Q326 R327 I330 H367L307-V323 HydrophobicContact CD1-CG2 3.67Å; T319-V323 WeakPolarHBondContact O-CB 3.44Å; T319-V323 VanDerWaalsContact O-CG2 3.25Å; T319-V323 WeakPolarHBondContact O-CG2 3.35Å; T319-V323 PolarHBondContact O-N 3.02Å; K320-V323 PolarHBondContact O-N 3.25Å; V323-Q326 CarbonylContact O-C 3.48Å; V323-R327 PolarHBondContact O-N 2.73Å; V323-I330 HydrophobicContact CG1-CD1 4.12Å; V323-H367 HydrophobicContact CG1-CB 3.81Å
324D83.1Confident77.3Confident98 Ų9858.8 Ų58.852%0.52429%0.287SS..Hα-helixtrans-67.9-39.2176.8-73.1-21.7000111.5K320 K321K320-D324 WeakPolarHBondContact O-CB 3.42Å; K320-D324 VanDerWaalsContact O-CG 3.25Å; K320-D324 PolarHBondContact O-N 3.11Å; K321-D324 PolarHBondContact O-N 3.08Å
325F79.8Confident76.4Confident124 Ų12469.9 Ų69.954%0.54433%0.328SS..Hα-helixtrans-67.6-40.9177.3-158.7-91.5000111.7L290 K321L290-F325 HydrophobicContact CD2-CE1 4.5Å; K321-F325 VanDerWaalsContact O-CB 3.27Å; K321-F325 WeakPolarHBondContact O-CB 3.47Å; K321-F325 PolarHBondContact O-N 3.07Å
326Q73.2Confident75.4Confident67 Ų6770.1 Ų70.131%0.31333%0.332SS..  trans-152.196.1-178.7-156.4163.99.900114L322 V323 N328 L329L322-Q326 PolarHBondContact O-N 3.25Å; L322-Q326 VanDerWaalsContact O-N 3.09Å; V323-Q326 CarbonylContact O-C 3.48Å; Q326-N328 PolarHBondContact O-N 2.73Å; Q326-N328 VanDerWaalsContact O-N 3.09Å; Q326-L329 HydrophobicContact CB-CD1 3.83Å; Q326-L329 HydrophobicContact CB-CG 4.29Å; Q326-L329 WeakPolarHBondContact O-CB 3.49Å; Q326-L329 WeakPolarHBondContact O-CD1 3.42Å; Q326-L329 PolarHBondContact O-N 3.4Å; Q326-L329 VanDerWaalsContact O-N 3.14Å
327R70.4Confident74.9Confident172 Ų17271.1 Ų71.165%0.64934%0.336SS*.G310 helixtrans-56.2-27179-78-178176.9167.2-2.6115.1V323 L329 I330V323-R327 PolarHBondContact O-N 2.73Å; R327-L329 PolarHBondContact O-N 2.98Å; R327-I330 WeakPolarHBondContact O-CD1 3.19Å; R327-I330 VanDerWaalsContact O-CG1 3.31Å; R327-I330 WeakPolarHBondContact O-CG1 3.43Å; R327-I330 PolarHBondContact O-N 3.13Å
328N71.4Confident74.7Confident132 Ų13266.9 Ų66.971%0.70631%0.313SS*.G310 helixtrans-66.5-16-179.9-71.8-7.5000113.8Q326 I330 G331Q326-N328 PolarHBondContact O-N 2.73Å; Q326-N328 VanDerWaalsContact O-N 3.09Å; N328-I330 PolarHBondContact O-N 3.49Å; N328-G331 PolarHBondContact O-N 3.36Å
329L67.4Low74.5Confident2 Ų266.8 Ų66.81%0.0131%0.313CS..G310 helixtrans-63.2-24.5178.4-76159.5000113.4P296 L307 Q326 R327 G331 H332P296-L329 HydrophobicContact CB-CD1 3.88Å; P296-L329 HydrophobicContact CB-CD2 4.29Å; P296-L329 HydrophobicContact CG-CD1 3.92Å; P296-L329 VanDerWaalsContact O-CD2 3.29Å; P296-L329 WeakPolarHBondContact O-CD2 3.44Å; L307-L329 HydrophobicContact CB-CB 4.43Å; L307-L329 HydrophobicContact CD2-CB 3.92Å; Q326-L329 HydrophobicContact CB-CD1 3.83Å; Q326-L329 HydrophobicContact CB-CG 4.29Å; Q326-L329 WeakPolarHBondContact O-CB 3.49Å; Q326-L329 WeakPolarHBondContact O-CD1 3.42Å; Q326-L329 PolarHBondContact O-N 3.4Å; Q326-L329 VanDerWaalsContact O-N 3.14Å; R327-L329 PolarHBondContact O-N 2.98Å; L329-G331 VanDerWaalsContact C-N 3.26Å; L329-G331 PolarHBondContact O-N 3.21Å; L329-H332 PolarHBondContact O-N 3.25Å
330I68.6Low74.4Confident14 Ų1466.9 Ų66.97%0.07231%0.313CS..G310 helixtrans-66-31.3-174.4-55.3167.5000111.5V323 R327 N328 H367 A369V323-I330 HydrophobicContact CG1-CD1 4.12Å; R327-I330 WeakPolarHBondContact O-CD1 3.19Å; R327-I330 VanDerWaalsContact O-CG1 3.31Å; R327-I330 WeakPolarHBondContact O-CG1 3.43Å; R327-I330 PolarHBondContact O-N 3.13Å; N328-I330 PolarHBondContact O-N 3.49Å; I330-H367 HydrophobicContact CD1-CB 3.54Å; I330-H367 WeakPolarHBondContact CD1-O 3.38Å; I330-A369 HydrophobicContact CG2-CB 3.77Å
331G63.3Low74.4Confident56 Ų5661.8 Ų61.858%0.57729%0.291SS*.G310 helixtrans-87.2-7.5-178.700000115.2N328 L329 K333N328-G331 PolarHBondContact O-N 3.36Å; L329-G331 VanDerWaalsContact C-N 3.26Å; L329-G331 PolarHBondContact O-N 3.21Å; G331-K333 PolarHBondContact O-N 2.83Å
332H64.9Low74.3Confident85 Ų8560.2 Ų60.239%0.39428%0.283SS..  trans-68.5131.2-179.2-99.9-77.4000111.3T305 H308 L329T305-H332 HydrophobicContact CG2-CB 4.01Å; H308-H332 PolarHBondContact CE1-O 3.2Å; H308-H332 VanDerWaalsContact CE1-O 3.3Å; H308-H332 PolarHBondContact NE2-O 2.83Å; L329-H332 PolarHBondContact O-N 3.25Å
333K64.5Low74.3Confident110 Ų11060.2 Ų60.248%0.47828%0.284SS..  trans-111.7126.7-176.2-64.6173.8-171.1170.20110.6G331 T338G331-K333 PolarHBondContact O-N 2.83Å; K333-T338 HydrophobicContact CG-CG2 4.05Å
334K64Low74.1Confident39 Ų3960.3 Ų60.317%0.1728%0.284CS..BIsolated β-bridgetrans-93108.7162.3179.7177.8154.2167.80108.9Y302 G303 E304 T336 H337 Y342Y302-K334 VanDerWaalsContact O-CD 3.22Å; Y302-K334 WeakPolarHBondContact O-CD 3.49Å; Y302-K334 WeakPolarHBondContact O-CE 3.29Å; Y302-K334 PolarHBondContact O-NZ 3.48Å; G303-K334 WeakPolarHBondContact O-CB 3.1Å; G303-K334 WeakPolarHBondContact O-CD 3.43Å; G303-K334 WeakPolarHBondContact O-CG 3.38Å; E304-K334 HydrophobicContact CB-CD 4.44Å; E304-K334 HydrophobicContact CG-CD 3.46Å; E304-K334 VanDerWaalsContact CG-CD 3.46Å; E304-K334 IonicContact OE1-NZ 3.98Å; E304-K334 PolarHBondContact OE1-NZ 2.62Å; K334-T336 PolarHBondContact O-N 3.07Å; K334-H337 PolarHBondContact N-O 3.3Å; K334-H337 PolarHBondContact O-N 3.41Å; K334-Y342 WeakPolarHBondContact CD-OH 3.38Å; K334-Y342 PolarHBondContact NZ-OH 2.98Å
335R63.6Low74Confident236 Ų23658.3 Ų58.389%0.89128%0.282SS*.THydrogen-bonded Turntrans57-78.7-169-67.3177.3167.9156.6-3.2112.1
336T65.4Low74Confident27 Ų2753.1 Ų53.117%0.16626%0.26CS..THydrogen-bonded Turntrans-137-9-177.246.90000112.6K334K334-T336 PolarHBondContact O-N 3.07Å
337H72.9Confident74.1Confident55 Ų5555 Ų5526%0.25527%0.272SS..BIsolated β-bridgetrans-99.6132.8-173.8-62.5-92.6000110.7K334 H341 Y342 E375K334-H337 PolarHBondContact N-O 3.3Å; K334-H337 PolarHBondContact O-N 3.41Å; H337-H341 HydrophobicContact CB-CB 3.81Å; H337-H341 AromaticContact ND1-CD2 3.79Å; H337-H341 AromaticContact ND1-CG 3.89Å; H337-Y342 HydrophobicContact CB-CD2 4.36Å; H337-Y342 HydrophobicContact CB-CE2 4.06Å; H337-E375 IonicContact CE1-OE2 2.93Å; H337-E375 IonicContact NE2-OE2 2.67Å
338T83.4Confident74.4Confident5 Ų550.9 Ų50.93%0.03127%0.268CS..  trans-95.5172.7169.963.40000110.5K333 L340 H341 Y342K333-T338 HydrophobicContact CG-CG2 4.05Å; T338-L340 PolarHBondContact O-N 3.08Å; T338-L340 VanDerWaalsContact O-N 3.16Å; T338-L340 PolarHBondContact OG1-N 3.1Å; T338-H341 PolarHBondContact N-ND1 3.46Å; T338-H341 VanDerWaalsContact O-CB 3.31Å; T338-H341 WeakPolarHBondContact O-CB 3.25Å; T338-H341 PolarHBondContact O-N 3.44Å; T338-H341 PolarHBondContact OG1-ND1 3.38Å; T338-Y342 PolarHBondContact O-N 2.93Å
339A82.4Confident74.6Confident1 Ų149.7 Ų49.71%0.00827%0.27CS..Hα-helixtrans-53.1-34.3171.600000112.7L307 H308 V311 H341 Y342 A343 L364L307-A339 HydrophobicContact CD2-CB 3.81Å; L307-A339 HydrophobicContact CG-CB 4.08Å; H308-A339 PolarHBondContact NE2-N 3.23Å; V311-A339 WeakPolarHBondContact CG1-O 3.43Å; V311-A339 HydrophobicContact CG2-CB 4.36Å; A339-H341 VanDerWaalsContact C-N 3.32Å; A339-H341 PolarHBondContact O-N 3.37Å; A339-Y342 PolarHBondContact O-N 3.37Å; A339-A343 PolarHBondContact O-N 3.47Å; A339-L364 HydrophobicContact CB-CD1 4.14Å; A339-L364 HydrophobicContact CB-CD2 4Å
340L85.5Confident75Confident2 Ų251.9 Ų51.91%0.0128%0.283CS..Hα-helixtrans-66-32.5176.5-167.865.2000112.6T338 A343 A344 L364 L365 A369 V377T338-L340 PolarHBondContact O-N 3.08Å; T338-L340 VanDerWaalsContact O-N 3.16Å; T338-L340 PolarHBondContact OG1-N 3.1Å; L340-A343 PolarHBondContact O-N 3.42Å; L340-A344 PolarHBondContact O-N 3.15Å; L340-A344 VanDerWaalsContact O-N 3.09Å; L340-L364 HydrophobicContact CB-CD1 4.49Å; L340-L364 HydrophobicContact CD1-CB 4.14Å; L340-L364 HydrophobicContact CD1-CD1 4.26Å; L340-L365 HydrophobicContact CD1-CG 4.27Å; L340-L365 HydrophobicContact CD2-CD2 4.08Å; L340-A369 HydrophobicContact CB-CB 4.35Å; L340-A369 HydrophobicContact CD2-CB 4.08Å; L340-V377 HydrophobicContact CB-CG2 4.39Å; L340-V377 HydrophobicContact CD2-CG1 4.47Å; L340-V377 HydrophobicContact CD2-CG2 3.97Å; L340-V377 HydrophobicContact CG-CG1 4.37Å; L340-V377 HydrophobicContact CG-CG2 4.11Å
341H85Confident75.3Confident2 Ų255 Ų551%0.00929%0.294CS..Hα-helixtrans-68-38.5173.6-6879.7000112H337 T338 A339 A344 A345 T373 E375 V377H337-H341 HydrophobicContact CB-CB 3.81Å; H337-H341 AromaticContact ND1-CD2 3.79Å; H337-H341 AromaticContact ND1-CG 3.89Å; T338-H341 PolarHBondContact N-ND1 3.46Å; T338-H341 VanDerWaalsContact O-CB 3.31Å; T338-H341 WeakPolarHBondContact O-CB 3.25Å; T338-H341 PolarHBondContact O-N 3.44Å; T338-H341 PolarHBondContact OG1-ND1 3.38Å; A339-H341 VanDerWaalsContact C-N 3.32Å; A339-H341 PolarHBondContact O-N 3.37Å; H341-A344 PolarHBondContact O-N 3.15Å; H341-A345 PolarHBondContact O-N 2.82Å; H341-T373 PolarHBondContact CE1-O 2.81Å; H341-E375 PolarHBondContact NE2-O 3.45Å; H341-V377 VanDerWaalsContact CE1-CG2 3.47Å; H341-V377 WeakPolarHBondContact CE1-CG2 3.1Å
342Y83.4Confident76Confident37 Ų3760.3 Ų60.315%0.14530%0.297CS..Hα-helixtrans-65.8-40.3175.3-84.5-100.4000111.2E304 H308 K312 K334 H337 T338 A339 A344 A345 V346E304-Y342 PolarHBondContact OE1-OH 2.98Å; H308-Y342 AromaticContact CD2-CD2 3.6Å; H308-Y342 AromaticContact CD2-CE2 3.61Å; K312-Y342 HydrophobicContact CB-CD1 3.99Å; K312-Y342 HydrophobicContact CD-CD1 4.24Å; K312-Y342 HydrophobicContact CD-CE1 4.12Å; K312-Y342 HydrophobicContact CG-CD1 4.23Å; K334-Y342 WeakPolarHBondContact CD-OH 3.38Å; K334-Y342 PolarHBondContact NZ-OH 2.98Å; H337-Y342 HydrophobicContact CB-CD2 4.36Å; H337-Y342 HydrophobicContact CB-CE2 4.06Å; T338-Y342 PolarHBondContact O-N 2.93Å; A339-Y342 PolarHBondContact O-N 3.37Å; Y342-A344 VanDerWaalsContact C-N 3.31Å; Y342-A344 PolarHBondContact O-N 3.48Å; Y342-A345 PolarHBondContact O-N 2.9Å; Y342-A345 VanDerWaalsContact O-N 3.15Å; Y342-V346 VanDerWaalsContact O-CG2 3.22Å; Y342-V346 WeakPolarHBondContact O-CG2 3.24Å; Y342-V346 PolarHBondContact O-N 3.32Å
343A83.9Confident76.6Confident1 Ų165.4 Ų65.41%0.00831%0.312CS..Hα-helixtrans-60-40.1174.300000112.2V311 A339 L340 A345 L364V311-A343 HydrophobicContact CG1-CB 3.73Å; A339-A343 PolarHBondContact O-N 3.47Å; L340-A343 PolarHBondContact O-N 3.42Å; A343-A345 PolarHBondContact O-N 3.09Å; A343-L364 HydrophobicContact CB-CD1 4.18Å
344A81Confident77.1Confident1 Ų169.9 Ų69.91%0.00833%0.332CS..Hα-helixtrans-70-17.8177.700000114.3L340 H341 Y342 V377 C380 L381 S384L340-A344 PolarHBondContact O-N 3.15Å; L340-A344 VanDerWaalsContact O-N 3.09Å; H341-A344 PolarHBondContact O-N 3.15Å; Y342-A344 VanDerWaalsContact C-N 3.31Å; Y342-A344 PolarHBondContact O-N 3.48Å; A344-V377 HydrophobicContact CB-CG1 4.34Å; A344-C380 HydrophobicContact CB-CB 4.12Å; A344-L381 HydrophobicContact CB-CD2 3.9Å; A344-L381 HydrophobicContact CB-CG 4.09Å; A344-S384 WeakPolarHBondContact O-CB 3.44Å; A344-S384 PolarHBondContact O-OG 3.19Å
345A79.7Confident77.6Confident57 Ų5769 Ų6947%0.47133%0.334SS..THydrogen-bonded Turntrans-11111.1-175.100000113.7H341 Y342 A343 D347H341-A345 PolarHBondContact O-N 2.82Å; Y342-A345 PolarHBondContact O-N 2.9Å; Y342-A345 VanDerWaalsContact O-N 3.15Å; A343-A345 PolarHBondContact O-N 3.09Å; A345-D347 PolarHBondContact O-N 3.48Å
346V80.5Confident78.4Confident15 Ų1558.3 Ų58.39%0.09130%0.295CS..  trans-68.4127.5-179.8-179.80000110.7Y342 V350Y342-V346 VanDerWaalsContact O-CG2 3.22Å; Y342-V346 WeakPolarHBondContact O-CG2 3.24Å; Y342-V346 PolarHBondContact O-N 3.32Å; V346-V350 HydrophobicContact CG1-CB 4.07Å
347D75.7Confident79.1Confident107 Ų10757.2 Ų57.257%0.57229%0.288SS*.  trans-67.9138.3173-76.1-53.7000111.5A345 S349 V350A345-D347 PolarHBondContact O-N 3.48Å; D347-S349 PolarHBondContact O-N 3.42Å; D347-V350 HydrophobicContact CB-CG2 4.16Å; D347-V350 PolarHBondContact O-N 3.17Å
348P76Confident79.6Confident84 Ų8456.3 Ų56.355%0.54529%0.286SS..G310 helixtrans-56.2-21.3177.2-26.133.8000115.2V350 W351P348-V350 PolarHBondContact O-N 2.85Å; P348-W351 HydrophobicContact CB-CD2 4.2Å; P348-W351 HydrophobicContact CB-CE3 4.08Å; P348-W351 HydrophobicContact CB-CH2 3.86Å; P348-W351 HydrophobicContact CB-CZ2 3.98Å; P348-W351 HydrophobicContact CB-CZ3 3.91Å; P348-W351 HydrophobicContact CG-CH2 4.04Å; P348-W351 HydrophobicContact CG-CZ2 4.02Å
349S76Confident79.7Confident107 Ų10759 Ų5975%0.74830%0.303SS*.G310 helixtrans-70.1-17.3177.355.70000114D347D347-S349 PolarHBondContact O-N 3.42Å
350V76.2Confident79.8Confident49 Ų4959 Ų5930%0.29730%0.303SS..G310 helixtrans-91.3-13.4-175.9-169.10000111.7V346 D347 P348 R352V346-V350 HydrophobicContact CG1-CB 4.07Å; D347-V350 HydrophobicContact CB-CG2 4.16Å; D347-V350 PolarHBondContact O-N 3.17Å; P348-V350 PolarHBondContact O-N 2.85Å; V350-R352 PolarHBondContact O-N 3.24Å
351W74.8Confident79.8Confident80 Ų8059 Ų5930%0.30330%0.302SS..  trans-64.4131-177.7-59.3-13.4000112P348 D357P348-W351 HydrophobicContact CB-CD2 4.2Å; P348-W351 HydrophobicContact CB-CE3 4.08Å; P348-W351 HydrophobicContact CB-CH2 3.86Å; P348-W351 HydrophobicContact CB-CZ2 3.98Å; P348-W351 HydrophobicContact CB-CZ3 3.91Å; P348-W351 HydrophobicContact CG-CH2 4.04Å; P348-W351 HydrophobicContact CG-CZ2 4.02Å; W351-D357 WeakPolarHBondContact CZ2-OD2 3.49Å
352R76.2Confident79.8Confident167 Ų16760 Ų6063%0.6331%0.31SS*.SBendtrans-87.6-37.9169.8-68-176.5176.1-163.4-0.8110.8V350 D356V350-R352 PolarHBondContact O-N 3.24Å; R352-D356 PolarHBondContact N-OD2 3.45Å
353R78.5Confident79.9Confident191 Ų19159.6 Ų59.672%0.72131%0.31SS*.SBendtrans-129.4149170.9-58.2176-179.4135.8-0.8109.9G355 D356R353-G355 PolarHBondContact O-N 2.87Å; R353-D356 WeakPolarHBondContact CB-OD1 3.37Å; R353-D356 PolarHBondContact N-OD2 2.82Å; R353-D356 VanDerWaalsContact O-CG 3.22Å; R353-D356 PolarHBondContact O-N 3.02Å
354K74.6Confident80Confident204 Ų20459.5 Ų59.589%0.88731%0.309SS*.THydrogen-bonded Turntrans-62.8120.5175.4-79.8-177.3175.4177.50109.4
355G75.3Confident80.2Confident21 Ų2160.5 Ų60.522%0.21631%0.314CS..THydrogen-bonded Turntrans987.6179.500000115.1R353 D357 V358 T359R353-G355 PolarHBondContact O-N 2.87Å; G355-D357 VanDerWaalsContact C-OD1 3.28Å; G355-D357 VanDerWaalsContact CA-OD1 3.31Å; G355-D357 WeakPolarHBondContact CA-OD1 3.39Å; G355-D357 PolarHBondContact O-N 3.3Å; G355-V358 PolarHBondContact O-N 3.46Å; G355-T359 PolarHBondContact O-N 2.85Å; G355-T359 PolarHBondContact O-OG1 2.94Å
356D79.5Confident80.4Confident12 Ų1263.2 Ų63.26%0.06432%0.317CS..Hα-helixtrans-60.9-30.9174.6-75.4-14.7000112.9C314 L316 R352 R353 T359 A360C314-D356 HydrophobicContact CB-CB 4.37Å; L316-D356 HydrophobicContact CD1-CB 4.16Å; L316-D356 WeakPolarHBondContact CD1-OD1 3.43Å; R352-D356 PolarHBondContact N-OD2 3.45Å; R353-D356 WeakPolarHBondContact CB-OD1 3.37Å; R353-D356 PolarHBondContact N-OD2 2.82Å; R353-D356 VanDerWaalsContact O-CG 3.22Å; R353-D356 PolarHBondContact O-N 3.02Å; D356-T359 VanDerWaalsContact CA-OG1 3.31Å; D356-T359 WeakPolarHBondContact CA-OG1 3.48Å; D356-T359 PolarHBondContact O-OG1 3.44Å; D356-A360 WeakPolarHBondContact O-CB 3.46Å; D356-A360 PolarHBondContact O-N 2.88Å
357D80.6Confident80.4Confident4 Ų464.9 Ų64.92%0.02132%0.324CS..Hα-helixtrans-65.8-41.6173.757.3-29.7000112.3W351 G355 S361 N386 I389W351-D357 WeakPolarHBondContact CZ2-OD2 3.49Å; G355-D357 VanDerWaalsContact C-OD1 3.28Å; G355-D357 VanDerWaalsContact CA-OD1 3.31Å; G355-D357 WeakPolarHBondContact CA-OD1 3.39Å; G355-D357 PolarHBondContact O-N 3.3Å; D357-S361 WeakPolarHBondContact O-CB 3.35Å; D357-S361 PolarHBondContact O-N 3.05Å; D357-S361 PolarHBondContact O-OG 2.8Å; D357-N386 PolarHBondContact OD2-ND2 3.27Å; D357-I389 HydrophobicContact CB-CD1 4.28Å
358V83.5Confident80.6Confident36 Ų3662.6 Ų62.622%0.21833%0.325CS..Hα-helixtrans-69.4-42.4176.4-177.10000110.8G355 S361 S362 K388 I389 C392G355-V358 PolarHBondContact O-N 3.46Å; V358-S361 PolarHBondContact O-N 2.72Å; V358-S362 WeakPolarHBondContact O-CB 3.44Å; V358-S362 PolarHBondContact O-N 3.29Å; V358-K388 HydrophobicContact CG2-CB 4.03Å; V358-I389 HydrophobicContact CG2-CG1 4.3Å; V358-C392 HydrophobicContact CG1-CB 4.27Å
359T85.5Confident80.5Confident62 Ų6259.2 Ų59.238%0.3831%0.305SS..Hα-helixtrans-68.5-40.4177.854.60000111.7L316 G355 D356 S361 S362 I363L316-T359 WeakPolarHBondContact CD1-OG1 3.29Å; L316-T359 WeakPolarHBondContact CD2-OG1 3.48Å; G355-T359 PolarHBondContact O-N 2.85Å; G355-T359 PolarHBondContact O-OG1 2.94Å; D356-T359 VanDerWaalsContact CA-OG1 3.31Å; D356-T359 WeakPolarHBondContact CA-OG1 3.48Å; D356-T359 PolarHBondContact O-OG1 3.44Å; T359-S361 VanDerWaalsContact C-N 3.32Å; T359-S361 PolarHBondContact O-N 3.3Å; T359-S362 PolarHBondContact O-N 2.87Å; T359-I363 VanDerWaalsContact O-CG1 3.26Å; T359-I363 WeakPolarHBondContact O-CG1 3.36Å; T359-I363 PolarHBondContact O-N 3.2Å
360A84.7Confident80.4Confident1 Ų159.1 Ų59.11%0.00830%0.296CS..Hα-helixtrans-59.2-44.417200000111.5L316 D356 I363 L364L316-A360 HydrophobicContact CD2-CB 3.82Å; D356-A360 WeakPolarHBondContact O-CB 3.46Å; D356-A360 PolarHBondContact O-N 2.88Å; A360-I363 PolarHBondContact O-N 3.31Å; A360-L364 WeakPolarHBondContact O-CG 3.31Å; A360-L364 PolarHBondContact O-N 3.08Å
361S85Confident80.3Confident0 Ų057.5 Ų57.50%029%0.285CS..Hα-helixtrans-63.5-40.7176-56.70000112D357 V358 T359 L364 L365D357-S361 WeakPolarHBondContact O-CB 3.35Å; D357-S361 PolarHBondContact O-N 3.05Å; D357-S361 PolarHBondContact O-OG 2.8Å; V358-S361 PolarHBondContact O-N 2.72Å; T359-S361 VanDerWaalsContact C-N 3.32Å; T359-S361 PolarHBondContact O-N 3.3Å; S361-L364 PolarHBondContact O-N 2.97Å; S361-L365 WeakPolarHBondContact O-CB 3.37Å; S361-L365 VanDerWaalsContact O-CG 3.27Å; S361-L365 WeakPolarHBondContact O-CG 3.48Å; S361-L365 PolarHBondContact O-N 3.49Å
362S85.8Confident79.9Confident24 Ų2456.1 Ų56.117%0.16829%0.288CS..Hα-helixtrans-64.2-43.4176.3-166.30000111.8V358 T359 L364 L365 E366V358-S362 WeakPolarHBondContact O-CB 3.44Å; V358-S362 PolarHBondContact O-N 3.29Å; T359-S362 PolarHBondContact O-N 2.87Å; S362-L364 VanDerWaalsContact C-N 3.32Å; S362-L364 PolarHBondContact O-N 3.31Å; S362-L365 PolarHBondContact O-N 2.96Å; S362-E366 VanDerWaalsContact O-CB 3.3Å; S362-E366 WeakPolarHBondContact O-CB 3.49Å; S362-E366 VanDerWaalsContact O-CG 3.23Å; S362-E366 WeakPolarHBondContact O-CG 3.49Å; S362-E366 PolarHBondContact O-N 3.08Å; S362-E366 PolarHBondContact OG-OE1 3.42Å
363I84.5Confident78.8Confident28 Ų2849.5 Ų49.514%0.14427%0.266CS..Hα-helixtrans-60.1-44.5176.3-68.4163.8000110.2L316 T359 A360 H367L316-I363 HydrophobicContact CD2-CD1 4.17Å; T359-I363 VanDerWaalsContact O-CG1 3.26Å; T359-I363 WeakPolarHBondContact O-CG1 3.36Å; T359-I363 PolarHBondContact O-N 3.2Å; A360-I363 PolarHBondContact O-N 3.31Å; I363-H367 PolarHBondContact O-N 3.15Å; I363-H367 PolarHBondContact O-ND1 3.13Å
364L86.1Confident77.9Confident0 Ų042.9 Ų42.90%026%0.258CS..Hα-helixtrans-65.2-44.2178-70.2170000112.2V311 A339 L340 A343 A360 S361 S362 H367 G368 A369V311-L364 HydrophobicContact CG1-CD1 4.49Å; V311-L364 HydrophobicContact CG2-CD1 4.28Å; A339-L364 HydrophobicContact CB-CD1 4.14Å; A339-L364 HydrophobicContact CB-CD2 4Å; L340-L364 HydrophobicContact CB-CD1 4.49Å; L340-L364 HydrophobicContact CD1-CB 4.14Å; L340-L364 HydrophobicContact CD1-CD1 4.26Å; A343-L364 HydrophobicContact CB-CD1 4.18Å; A360-L364 WeakPolarHBondContact O-CG 3.31Å; A360-L364 PolarHBondContact O-N 3.08Å; S361-L364 PolarHBondContact O-N 2.97Å; S362-L364 VanDerWaalsContact C-N 3.32Å; S362-L364 PolarHBondContact O-N 3.31Å; L364-H367 PolarHBondContact O-N 2.65Å; L364-G368 PolarHBondContact O-N 3.26Å; L364-A369 HydrophobicContact CB-CB 4Å; L364-A369 WeakPolarHBondContact O-CB 3.31Å; L364-A369 PolarHBondContact O-N 2.8Å
365L84.7Confident77.2Confident22 Ų2235 Ų3512%0.11522%0.224CC..Hα-helixtrans-66.2-39.9178.4-72.4166.4000112.1L340 S361 S362 H367 G368 I393 K396 V397L340-L365 HydrophobicContact CD1-CG 4.27Å; L340-L365 HydrophobicContact CD2-CD2 4.08Å; S361-L365 WeakPolarHBondContact O-CB 3.37Å; S361-L365 VanDerWaalsContact O-CG 3.27Å; S361-L365 WeakPolarHBondContact O-CG 3.48Å; S361-L365 PolarHBondContact O-N 3.49Å; S362-L365 PolarHBondContact O-N 2.96Å; L365-H367 VanDerWaalsContact C-N 3.26Å; L365-H367 PolarHBondContact O-N 2.88Å; L365-G368 PolarHBondContact O-N 3.19Å; L365-I393 HydrophobicContact CD1-CG1 4.04Å; L365-K396 HydrophobicContact CD1-CB 4.28Å; L365-K396 HydrophobicContact CD1-CG 4.36Å; L365-V397 HydrophobicContact CD2-CG2 4.4Å
366E84.3Confident77.1Confident114 Ų11434.1 Ų34.153%0.53321%0.214SC..Hα-helixtrans-63.6-30.6176.2-77.9168.8-171.200113S362 K396S362-E366 VanDerWaalsContact O-CB 3.3Å; S362-E366 WeakPolarHBondContact O-CB 3.49Å; S362-E366 VanDerWaalsContact O-CG 3.23Å; S362-E366 WeakPolarHBondContact O-CG 3.49Å; S362-E366 PolarHBondContact O-N 3.08Å; S362-E366 PolarHBondContact OG-OE1 3.42Å; E366-K396 IonicContact OE1-NZ 3.58Å; E366-K396 PolarHBondContact OE1-NZ 3.31Å
367H80.8Confident77.1Confident49 Ų4933.6 Ų33.623%0.22721%0.211CC..THydrogen-bonded Turntrans-94.511.3178.3-66.978.8000113.5V323 I330 I363 L364 L365V323-H367 HydrophobicContact CG1-CB 3.81Å; I330-H367 HydrophobicContact CD1-CB 3.54Å; I330-H367 WeakPolarHBondContact CD1-O 3.38Å; I363-H367 PolarHBondContact O-N 3.15Å; I363-H367 PolarHBondContact O-ND1 3.13Å; L364-H367 PolarHBondContact O-N 2.65Å; L365-H367 VanDerWaalsContact C-N 3.26Å; L365-H367 PolarHBondContact O-N 2.88Å
368G79Confident77.4Confident59 Ų5933.5 Ų33.561%0.60821%0.211SC*.THydrogen-bonded Turntrans94.930.8169.700000116.1L364 L365 D370L364-G368 PolarHBondContact O-N 3.26Å; L365-G368 PolarHBondContact O-N 3.19Å; G368-D370 PolarHBondContact O-N 3.31Å
369A74.5Confident77.5Confident13 Ų1332 Ų3211%0.10720%0.202CC..  trans-69.8124.8174.300000112.9I330 L340 L364I330-A369 HydrophobicContact CG2-CB 3.77Å; L340-A369 HydrophobicContact CB-CB 4.35Å; L340-A369 HydrophobicContact CD2-CB 4.08Å; L364-A369 HydrophobicContact CB-CB 4Å; L364-A369 WeakPolarHBondContact O-CB 3.31Å; L364-A369 PolarHBondContact O-N 2.8Å
370D75.1Confident77.2Confident105 Ų10529.7 Ų29.756%0.56119%0.188SC*.  trans-83.1135.4-179.2-111.6-16.1000113.2G368 T373G368-D370 PolarHBondContact O-N 3.31Å; D370-T373 HydrophobicContact CB-CG2 4.1Å
371I73.1Confident77.2Confident15 Ų1529.7 Ų29.78%0.07719%0.187CC..SBendtrans-80.6-28.7180-49.9155.6000111.9T373 N376 V377 I393 V397I371-T373 PolarHBondContact O-N 2.86Å; I371-N376 PolarHBondContact O-OD1 3.44Å; I371-V377 HydrophobicContact CG2-CB 4.14Å; I371-I393 HydrophobicContact CD1-CG2 3.89Å; I371-I393 HydrophobicContact CG1-CG2 4.27Å; I371-V397 HydrophobicContact CD1-CB 3.76Å; I371-V397 HydrophobicContact CD1-CG1 3.42Å; I371-V397 VanDerWaalsContact CD1-CG1 3.42Å; I371-V397 HydrophobicContact CD1-CG2 3.31Å; I371-V397 HydrophobicContact CG1-CG2 4.17Å
372S65.8Low77.3Confident52 Ų5229.7 Ų29.736%0.36419%0.187SC..SBendtrans-89.9-2-160.683.90000115.3K408S372-K408 PolarHBondContact O-NZ 3.07Å
373T54.8Low77.2Confident28 Ų2834 Ų3417%0.17220%0.203CC..SBendtrans-95.6114.8-167.660.70000113H341 D370 I371H341-T373 PolarHBondContact CE1-O 2.81Å; D370-T373 HydrophobicContact CB-CG2 4.1Å; I371-T373 PolarHBondContact O-N 2.86Å
374G57.7Low77Confident52 Ų5235 Ų3554%0.53621%0.213SC..SBendtrans95.2-140.1178.300000113.1
375E61.7Low76.8Confident38 Ų3835.8 Ų35.818%0.17822%0.221CC..SBendtrans-61.1146.9156.9-75.7-171150.500107.4H337 H341 N410H337-E375 IonicContact CE1-OE2 2.93Å; H337-E375 IonicContact NE2-OE2 2.67Å; H341-E375 PolarHBondContact NE2-O 3.45Å; E375-N410 HydrophobicContact CG-CB 4.47Å
376N72.2Confident76.7Confident3 Ų335.8 Ų35.82%0.01622%0.221CC..  trans-73139.6-177.6-136.920.8000108.7I371 L378 H379 A405I371-N376 PolarHBondContact O-OD1 3.44Å; N376-L378 HydrophobicContact CB-CB 4.41Å; N376-L378 PolarHBondContact O-N 2.86Å; N376-H379 WeakPolarHBondContact CB-ND1 3.4Å; N376-H379 PolarHBondContact N-ND1 3.46Å; N376-H379 WeakPolarHBondContact O-CB 3.26Å; N376-H379 PolarHBondContact O-N 2.81Å; N376-A405 VanDerWaalsContact ND2-CA 3.32Å; N376-A405 WeakPolarHBondContact ND2-CA 3.21Å; N376-A405 WeakPolarHBondContact ND2-CB 3.33Å; N376-A405 PolarHBondContact ND2-O 3.14Å
377V80.7Confident76.7Confident0 Ų033.8 Ų33.80%021%0.212CC..Hα-helixtrans-54.2-30172.41670000111L340 H341 A344 I371 H379 C380 L381 I393L340-V377 HydrophobicContact CB-CG2 4.39Å; L340-V377 HydrophobicContact CD2-CG1 4.47Å; L340-V377 HydrophobicContact CD2-CG2 3.97Å; L340-V377 HydrophobicContact CG-CG1 4.37Å; L340-V377 HydrophobicContact CG-CG2 4.11Å; H341-V377 VanDerWaalsContact CE1-CG2 3.47Å; H341-V377 WeakPolarHBondContact CE1-CG2 3.1Å; A344-V377 HydrophobicContact CB-CG1 4.34Å; I371-V377 HydrophobicContact CG2-CB 4.14Å; V377-H379 VanDerWaalsContact C-N 3.3Å; V377-H379 PolarHBondContact O-N 2.91Å; V377-C380 WeakPolarHBondContact O-CB 3.41Å; V377-C380 PolarHBondContact O-N 3.49Å; V377-C380 VanDerWaalsContact O-N 3.1Å; V377-L381 HydrophobicContact CG1-CD1 4.09Å; V377-L381 HydrophobicContact CG1-CG 4.4Å; V377-L381 WeakPolarHBondContact O-CG 2.94Å; V377-L381 PolarHBondContact O-N 2.71Å; V377-I393 HydrophobicContact CG1-CD1 3.77Å
378L85.3Confident76.9Confident3 Ų337.3 Ų37.32%0.01623%0.226CC..Hα-helixtrans-59.7-33.3172.9-69.8174.7000114N376 L381 A382 F390 M402 A405 P416N376-L378 HydrophobicContact CB-CB 4.41Å; N376-L378 PolarHBondContact O-N 2.86Å; L378-L381 HydrophobicContact CD2-CD1 4.3Å; L378-L381 PolarHBondContact O-N 2.86Å; L378-A382 WeakPolarHBondContact O-CB 3.17Å; L378-A382 PolarHBondContact O-N 3.37Å; L378-F390 HydrophobicContact CD2-CD2 3.63Å; L378-F390 HydrophobicContact CD2-CE2 3.34Å; L378-F390 HydrophobicContact CD2-CZ 4.28Å; L378-M402 HydrophobicContact CD1-CE 4.3Å; L378-M402 HydrophobicContact CD2-CE 3.42Å; L378-M402 VanDerWaalsContact CD2-CE 3.42Å; L378-M402 HydrophobicContact CG-CE 4.29Å; L378-A405 HydrophobicContact CD1-CB 3.5Å; L378-A405 VanDerWaalsContact CD1-CB 3.5Å; L378-P416 HydrophobicContact CB-CB 4.08Å; L378-P416 HydrophobicContact CB-CG 3.93Å
379H85.3Confident77.2Confident5 Ų534.6 Ų34.62%0.02320%0.198CC..Hα-helixtrans-69.2-37.7173.1-67.991.1000111.8N376 V377 A382 K383 K408 R414N376-H379 WeakPolarHBondContact CB-ND1 3.4Å; N376-H379 PolarHBondContact N-ND1 3.46Å; N376-H379 WeakPolarHBondContact O-CB 3.26Å; N376-H379 PolarHBondContact O-N 2.81Å; V377-H379 VanDerWaalsContact C-N 3.3Å; V377-H379 PolarHBondContact O-N 2.91Å; H379-A382 PolarHBondContact O-N 2.86Å; H379-K383 PolarHBondContact O-N 2.79Å; H379-K408 PolarHBondContact CE1-O 3.4Å; H379-K408 PolarHBondContact NE2-O 2.83Å; H379-R414 PolarHBondContact NE2-O 3.45Å
380C81.1Confident77.6Confident13 Ų1334 Ų349%0.08819%0.193CC..Hα-helixtrans-66.1-40.1174.8-73.50000111.4A344 V377 K383 S384A344-C380 HydrophobicContact CB-CB 4.12Å; V377-C380 WeakPolarHBondContact O-CB 3.41Å; V377-C380 PolarHBondContact O-N 3.49Å; V377-C380 VanDerWaalsContact O-N 3.1Å; C380-K383 WeakPolarHBondContact O-CB 3.22Å; C380-K383 PolarHBondContact O-N 2.87Å; C380-S384 PolarHBondContact O-N 3.33Å; C380-S384 PolarHBondContact O-OG 3.35Å
381L84.8Confident78Confident0 Ų031.6 Ų31.60%019%0.187CC..Hα-helixtrans-65.4-40.7173.4-70.7168.3000112.5A344 V377 L378 K383 S384 G385 N386 I389 F390 I393 I428A344-L381 HydrophobicContact CB-CD2 3.9Å; A344-L381 HydrophobicContact CB-CG 4.09Å; V377-L381 HydrophobicContact CG1-CD1 4.09Å; V377-L381 HydrophobicContact CG1-CG 4.4Å; V377-L381 WeakPolarHBondContact O-CG 2.94Å; V377-L381 PolarHBondContact O-N 2.71Å; L378-L381 HydrophobicContact CD2-CD1 4.3Å; L378-L381 PolarHBondContact O-N 2.86Å; L381-K383 PolarHBondContact O-N 3.38Å; L381-S384 PolarHBondContact O-N 3.22Å; L381-G385 PolarHBondContact O-N 3.21Å; L381-N386 HydrophobicContact CD2-CB 4.29Å; L381-I389 HydrophobicContact CD1-CG2 4.35Å; L381-I389 HydrophobicContact CD2-CB 3.64Å; L381-I389 HydrophobicContact CD2-CG2 3.68Å; L381-F390 HydrophobicContact CD1-CB 4.33Å; L381-F390 HydrophobicContact CD1-CD2 4.32Å; L381-I393 HydrophobicContact CD1-CD1 3.59Å; L381-I428 WeakPolarHBondContact O-CD1 3.28Å
382A86Confident78.5Confident0 Ų031.5 Ų31.50%019%0.188CC..Hα-helixtrans-65.1-22.8173.900000112.9L378 H379 P416 E419 A420 N423 H425L378-A382 WeakPolarHBondContact O-CB 3.17Å; L378-A382 PolarHBondContact O-N 3.37Å; H379-A382 PolarHBondContact O-N 2.86Å; A382-P416 VanDerWaalsContact CB-O 3.23Å; A382-P416 WeakPolarHBondContact CB-O 3.36Å; A382-E419 HydrophobicContact CB-CB 4.05Å; A382-A420 HydrophobicContact CB-CB 3.96Å; A382-N423 PolarHBondContact O-ND2 3.44Å; A382-H425 PolarHBondContact O-CD2 3.46Å; A382-H425 VanDerWaalsContact O-CD2 3.27Å
383K83.1Confident79.4Confident114 Ų11429 Ų2950%0.49617%0.17SC..Hα-helixtrans-81-50169.1-95.2178.5175.5170.70112.8H379 C380 L381 E419 H425H379-K383 PolarHBondContact O-N 2.79Å; C380-K383 WeakPolarHBondContact O-CB 3.22Å; C380-K383 PolarHBondContact O-N 2.87Å; L381-K383 PolarHBondContact O-N 3.38Å; K383-E419 VanDerWaalsContact CE-OE1 3.26Å; K383-E419 WeakPolarHBondContact CE-OE1 3.36Å; K383-E419 HydrophobicContact CG-CG 3.96Å; K383-E419 IonicContact NZ-OE1 3.66Å; K383-H425 PolarHBondContact O-NE2 3.18Å; K383-H425 VanDerWaalsContact O-NE2 3.08Å
384S81.4Confident80.7Confident50 Ų5029.2 Ų29.235%0.3517%0.171SC..Hα-helixtrans-76.2-21.8-172.766.60000114.2A344 C380 L381 N386A344-S384 WeakPolarHBondContact O-CB 3.44Å; A344-S384 PolarHBondContact O-OG 3.19Å; C380-S384 PolarHBondContact O-N 3.33Å; C380-S384 PolarHBondContact O-OG 3.35Å; L381-S384 PolarHBondContact O-N 3.22Å; S384-N386 VanDerWaalsContact C-N 3.27Å; S384-N386 PolarHBondContact O-N 3.22Å
385G81.2Confident81.9Confident17 Ų1734.7 Ų34.718%0.17518%0.183CC..  trans78.49.7-177.900000113.9L381 H387 H425L381-G385 PolarHBondContact O-N 3.21Å; G385-H387 PolarHBondContact O-N 3.03Å; G385-H425 VanDerWaalsContact CA-CE1 3.46Å; G385-H425 WeakPolarHBondContact CA-CE1 3.37Å; G385-H425 WeakPolarHBondContact CA-NE2 3.25Å; G385-H425 PolarHBondContact N-NE2 3.06Å
386N83.3Confident82.8Confident22 Ų2237.4 Ų37.412%0.11819%0.194CC..  trans-82.576.4-171.7-153.4-15.4000113.1D357 L381 S384 K388 I389 F390D357-N386 PolarHBondContact OD2-ND2 3.27Å; L381-N386 HydrophobicContact CD2-CB 4.29Å; S384-N386 VanDerWaalsContact C-N 3.27Å; S384-N386 PolarHBondContact O-N 3.22Å; N386-K388 PolarHBondContact O-N 3.43Å; N386-K388 VanDerWaalsContact O-N 3.16Å; N386-I389 HydrophobicContact CB-CD1 4.22Å; N386-I389 HydrophobicContact CB-CG1 4.47Å; N386-I389 VanDerWaalsContact ND2-CD1 3.27Å; N386-I389 WeakPolarHBondContact ND2-CD1 3.31Å; N386-I389 PolarHBondContact O-N 3.48Å; N386-F390 PolarHBondContact O-N 3.03Å
387H84.5Confident83.1Confident72 Ų7240 Ų4033%0.33321%0.21SC..Hα-helixtrans-59.4-23.4-17966.8-77.5000114.6G385 F390 A391 I428 L431G385-H387 PolarHBondContact O-N 3.03Å; H387-F390 WeakPolarHBondContact O-CB 3.41Å; H387-F390 PolarHBondContact O-N 3.35Å; H387-A391 PolarHBondContact O-N 2.95Å; H387-I428 HydrophobicContact CB-CG1 4.25Å; H387-L431 HydrophobicContact CB-CD1 4.33Å
388K84.8Confident83Confident123 Ų12341.4 Ų41.454%0.53522%0.224SC..Hα-helixtrans-70.2-41.3177.5-67.4-176-179.3178.70112.2V358 N386 F390 A391 C392V358-K388 HydrophobicContact CG2-CB 4.03Å; N386-K388 PolarHBondContact O-N 3.43Å; N386-K388 VanDerWaalsContact O-N 3.16Å; K388-F390 VanDerWaalsContact C-N 3.31Å; K388-A391 PolarHBondContact O-N 3.34Å; K388-C392 PolarHBondContact O-N 2.91Å
389I84.1Confident82.4Confident1 Ų147 Ų471%0.00525%0.253CS..Hα-helixtrans-67-38.5174.8-60.7176000109.5D357 V358 L381 N386 A391 C392 I393D357-I389 HydrophobicContact CB-CD1 4.28Å; V358-I389 HydrophobicContact CG2-CG1 4.3Å; L381-I389 HydrophobicContact CD1-CG2 4.35Å; L381-I389 HydrophobicContact CD2-CB 3.64Å; L381-I389 HydrophobicContact CD2-CG2 3.68Å; N386-I389 HydrophobicContact CB-CD1 4.22Å; N386-I389 HydrophobicContact CB-CG1 4.47Å; N386-I389 VanDerWaalsContact ND2-CD1 3.27Å; N386-I389 WeakPolarHBondContact ND2-CD1 3.31Å; N386-I389 PolarHBondContact O-N 3.48Å; I389-A391 VanDerWaalsContact C-N 3.34Å; I389-A391 PolarHBondContact O-N 2.86Å; I389-C392 WeakPolarHBondContact O-CB 3.48Å; I389-C392 PolarHBondContact O-N 3.01Å; I389-I393 HydrophobicContact CG2-CD1 4.08Å; I389-I393 HydrophobicContact CG2-CG1 4.33Å; I389-I393 WeakPolarHBondContact O-CG1 3.48Å; I389-I393 PolarHBondContact O-N 2.92Å
390F84.8Confident81.7Confident2 Ų249.6 Ų49.61%0.00928%0.281CS..Hα-helixtrans-55.9-49.1172.8-169.7-79.3000111.3L378 L381 N386 H387 K388 C392 I393 V394 M402 L431 L432L378-F390 HydrophobicContact CD2-CD2 3.63Å; L378-F390 HydrophobicContact CD2-CE2 3.34Å; L378-F390 HydrophobicContact CD2-CZ 4.28Å; L381-F390 HydrophobicContact CD1-CB 4.33Å; L381-F390 HydrophobicContact CD1-CD2 4.32Å; N386-F390 PolarHBondContact O-N 3.03Å; H387-F390 WeakPolarHBondContact O-CB 3.41Å; H387-F390 PolarHBondContact O-N 3.35Å; K388-F390 VanDerWaalsContact C-N 3.31Å; F390-C392 PolarHBondContact O-N 3.45Å; F390-I393 PolarHBondContact O-N 2.75Å; F390-V394 HydrophobicContact CD1-CG2 3.84Å; F390-V394 HydrophobicContact CE1-CG2 3.65Å; F390-V394 VanDerWaalsContact O-CG2 3.31Å; F390-V394 WeakPolarHBondContact O-CG2 3.32Å; F390-V394 PolarHBondContact O-N 3.39Å; F390-M402 HydrophobicContact CE1-CE 4.45Å; F390-M402 HydrophobicContact CE2-CE 4.23Å; F390-M402 HydrophobicContact CZ-CE 4.15Å; F390-L431 HydrophobicContact CD1-CB 4.28Å; F390-L431 HydrophobicContact CD1-CD1 3.99Å; F390-L431 HydrophobicContact CE1-CB 3.92Å; F390-L431 HydrophobicContact CE1-CD1 4.45Å; F390-L431 HydrophobicContact CZ-CB 4.43Å; F390-L432 HydrophobicContact CE2-CD2 3.81Å; F390-L432 HydrophobicContact CE2-CG 4.42Å; F390-L432 HydrophobicContact CZ-CD2 4Å
391A83.5Confident81.2Confident54 Ų5450.6 Ų50.645%0.44629%0.294SS..Hα-helixtrans-60.6-42.2176.100000112.7H387 K388 I389 I393 V394 E395H387-A391 PolarHBondContact O-N 2.95Å; K388-A391 PolarHBondContact O-N 3.34Å; I389-A391 VanDerWaalsContact C-N 3.34Å; I389-A391 PolarHBondContact O-N 2.86Å; A391-I393 PolarHBondContact O-N 3.02Å; A391-V394 PolarHBondContact O-N 3.45Å; A391-E395 WeakPolarHBondContact O-CB 3.39Å; A391-E395 PolarHBondContact O-N 3.49Å
392C83.6Confident80.7Confident12 Ų1250.7 Ų50.78%0.08129%0.294CS..Hα-helixtrans-61.5-40.8176.1-178.50000112.6V358 K388 I389 F390 E395 K396V358-C392 HydrophobicContact CG1-CB 4.27Å; K388-C392 PolarHBondContact O-N 2.91Å; I389-C392 WeakPolarHBondContact O-CB 3.48Å; I389-C392 PolarHBondContact O-N 3.01Å; F390-C392 PolarHBondContact O-N 3.45Å; C392-E395 PolarHBondContact O-N 2.97Å; C392-K396 WeakPolarHBondContact O-CG 3.39Å; C392-K396 PolarHBondContact O-N 3.09Å
393I84Confident80.2Confident0 Ų054.2 Ų54.20%031%0.311CS..Hα-helixtrans-65.7-43.4175.2-67174.3000110.7L365 I371 V377 L381 I389 F390 A391 E395 K396 V397 M402L365-I393 HydrophobicContact CD1-CG1 4.04Å; I371-I393 HydrophobicContact CD1-CG2 3.89Å; I371-I393 HydrophobicContact CG1-CG2 4.27Å; V377-I393 HydrophobicContact CG1-CD1 3.77Å; L381-I393 HydrophobicContact CD1-CD1 3.59Å; I389-I393 HydrophobicContact CG2-CD1 4.08Å; I389-I393 HydrophobicContact CG2-CG1 4.33Å; I389-I393 WeakPolarHBondContact O-CG1 3.48Å; I389-I393 PolarHBondContact O-N 2.92Å; F390-I393 PolarHBondContact O-N 2.75Å; A391-I393 PolarHBondContact O-N 3.02Å; I393-E395 VanDerWaalsContact C-N 3.28Å; I393-E395 PolarHBondContact O-N 3.44Å; I393-K396 PolarHBondContact O-N 2.89Å; I393-V397 HydrophobicContact CG2-CG2 4.3Å; I393-V397 WeakPolarHBondContact O-CB 3.33Å; I393-V397 PolarHBondContact O-N 3.38Å; I393-M402 HydrophobicContact CB-CE 4.27Å; I393-M402 HydrophobicContact CG2-CE 3.64Å; I393-M402 HydrophobicContact CG2-SD 3.84Å
394V81.5Confident79.8Confident32 Ų3253.7 Ų53.719%0.19432%0.317CS..Hα-helixtrans-58.6-42.2176.4172.90000110.9F390 A391 G398 M402F390-V394 HydrophobicContact CD1-CG2 3.84Å; F390-V394 HydrophobicContact CE1-CG2 3.65Å; F390-V394 VanDerWaalsContact O-CG2 3.31Å; F390-V394 WeakPolarHBondContact O-CG2 3.32Å; F390-V394 PolarHBondContact O-N 3.39Å; A391-V394 PolarHBondContact O-N 3.45Å; V394-G398 PolarHBondContact O-N 3.25Å; V394-M402 HydrophobicContact CG2-CE 3.83Å; V394-M402 HydrophobicContact CG2-CG 4.33Å; V394-M402 HydrophobicContact CG2-SD 4.37Å
395E83.3Confident79.5Confident167 Ų16751.5 Ų51.578%0.7830%0.302SS*.Hα-helixtrans-68.1-41.8-179.8-164.1178.8-16600112.9A391 C392 I393A391-E395 WeakPolarHBondContact O-CB 3.39Å; A391-E395 PolarHBondContact O-N 3.49Å; C392-E395 PolarHBondContact O-N 2.97Å; I393-E395 VanDerWaalsContact C-N 3.28Å; I393-E395 PolarHBondContact O-N 3.44Å
396K81.1Confident79.4Confident96 Ų9650.8 Ų50.842%0.41729%0.294SS..Hα-helixtrans-82.9-30.1-175.9-71.4-79-170173.10114.6L365 E366 C392 I393L365-K396 HydrophobicContact CD1-CB 4.28Å; L365-K396 HydrophobicContact CD1-CG 4.36Å; E366-K396 IonicContact OE1-NZ 3.58Å; E366-K396 PolarHBondContact OE1-NZ 3.31Å; C392-K396 WeakPolarHBondContact O-CG 3.39Å; C392-K396 PolarHBondContact O-N 3.09Å; I393-K396 PolarHBondContact O-N 2.89Å
397V77Confident79.3Confident57 Ų5752.1 Ų52.135%0.34530%0.301SS..Hα-helixtrans-102.3-26.2-173.9173.40000113L365 I371 I393L365-V397 HydrophobicContact CD2-CG2 4.4Å; I371-V397 HydrophobicContact CD1-CB 3.76Å; I371-V397 HydrophobicContact CD1-CG1 3.42Å; I371-V397 VanDerWaalsContact CD1-CG1 3.42Å; I371-V397 HydrophobicContact CD1-CG2 3.31Å; I371-V397 HydrophobicContact CG1-CG2 4.17Å; I393-V397 HydrophobicContact CG2-CG2 4.3Å; I393-V397 WeakPolarHBondContact O-CB 3.33Å; I393-V397 PolarHBondContact O-N 3.38Å
398G78.6Confident79.2Confident29 Ų2952.8 Ų52.830%0.29930%0.303SS..Hα-helixtrans79.2168.2-177.800000114.6V394 G400 G401 M402V394-G398 PolarHBondContact O-N 3.25Å; G398-G400 VanDerWaalsContact C-N 3.35Å; G398-G400 PolarHBondContact O-N 3.28Å; G398-G401 PolarHBondContact O-N 2.96Å; G398-M402 PolarHBondContact O-N 3.27Å
399I72.7Confident79.3Confident121 Ų12152.1 Ų52.162%0.62130%0.302SS*.Hα-helixtrans-63.9-37.2-168.7-56.2164.6000112.1M402 Q403I399-M402 WeakPolarHBondContact O-CB 3.45Å; I399-M402 PolarHBondContact O-N 3.18Å; I399-Q403 PolarHBondContact O-N 3.24Å
400G71.9Confident79.1Confident59 Ų5953 Ų5361%0.60831%0.306SS*.Hα-helixtrans-65.9-42.3-177.500000113.7G398 M402G398-G400 VanDerWaalsContact C-N 3.35Å; G398-G400 PolarHBondContact O-N 3.28Å; G400-M402 VanDerWaalsContact C-N 3.28Å; G400-M402 PolarHBondContact O-N 3.32Å
401G70.5Confident78.9Confident35 Ų3559.8 Ų59.836%0.36134%0.336SS..Hα-helixtrans-68.6-30175.600000112.5G398G398-G401 PolarHBondContact O-N 2.96Å
402M74.5Confident78.6Confident2 Ų261 Ų611%0.0134%0.335CS..Hα-helixtrans-70.2-38.5-179.6-136.561.9-178.900112.9L378 F390 I393 V394 G398 I399 G400 V404 A405 L406L378-M402 HydrophobicContact CD1-CE 4.3Å; L378-M402 HydrophobicContact CD2-CE 3.42Å; L378-M402 VanDerWaalsContact CD2-CE 3.42Å; L378-M402 HydrophobicContact CG-CE 4.29Å; F390-M402 HydrophobicContact CE1-CE 4.45Å; F390-M402 HydrophobicContact CE2-CE 4.23Å; F390-M402 HydrophobicContact CZ-CE 4.15Å; I393-M402 HydrophobicContact CB-CE 4.27Å; I393-M402 HydrophobicContact CG2-CE 3.64Å; I393-M402 HydrophobicContact CG2-SD 3.84Å; V394-M402 HydrophobicContact CG2-CE 3.83Å; V394-M402 HydrophobicContact CG2-CG 4.33Å; V394-M402 HydrophobicContact CG2-SD 4.37Å; G398-M402 PolarHBondContact O-N 3.27Å; I399-M402 WeakPolarHBondContact O-CB 3.45Å; I399-M402 PolarHBondContact O-N 3.18Å; G400-M402 VanDerWaalsContact C-N 3.28Å; G400-M402 PolarHBondContact O-N 3.32Å; M402-V404 VanDerWaalsContact C-N 3.31Å; M402-V404 PolarHBondContact O-N 3.39Å; M402-A405 PolarHBondContact O-N 3.49Å; M402-A405 VanDerWaalsContact O-N 3.12Å; M402-L406 HydrophobicContact CB-CD1 4.43Å; M402-L406 HydrophobicContact CG-CD1 4.38Å; M402-L406 WeakPolarHBondContact O-CB 3.18Å; M402-L406 WeakPolarHBondContact O-CD1 3.5Å; M402-L406 VanDerWaalsContact O-CG 3.29Å; M402-L406 WeakPolarHBondContact O-CG 3.39Å; M402-L406 PolarHBondContact O-N 3.22Å
403Q74.8Confident78.5Confident74 Ų7460.9 Ų60.935%0.34634%0.335SS..Hα-helixtrans-62.8-35.6-178.9-142.471.722.400113I399 A405 H435I399-Q403 PolarHBondContact O-N 3.24Å; Q403-A405 VanDerWaalsContact C-N 3.3Å; Q403-A405 PolarHBondContact O-N 3Å; Q403-H435 PolarHBondContact NE2-O 2.93Å; Q403-H435 VanDerWaalsContact NE2-O 3.08Å
404V74.8Confident78.7Confident103 Ų10362.6 Ų62.662%0.62434%0.342SS*.Hα-helixtrans-68.5-32.7177.4-177.10000111.4M402M402-V404 VanDerWaalsContact C-N 3.31Å; M402-V404 PolarHBondContact O-N 3.39Å
405A75.6Confident79Confident4 Ų461.1 Ų61.13%0.03333%0.333CS..Hα-helixtrans-82.8-37.9-179.400000111.7N376 L378 M402 Q403 N407 K408N376-A405 VanDerWaalsContact ND2-CA 3.32Å; N376-A405 WeakPolarHBondContact ND2-CA 3.21Å; N376-A405 WeakPolarHBondContact ND2-CB 3.33Å; N376-A405 PolarHBondContact ND2-O 3.14Å; L378-A405 HydrophobicContact CD1-CB 3.5Å; L378-A405 VanDerWaalsContact CD1-CB 3.5Å; M402-A405 PolarHBondContact O-N 3.49Å; M402-A405 VanDerWaalsContact O-N 3.12Å; Q403-A405 VanDerWaalsContact C-N 3.3Å; Q403-A405 PolarHBondContact O-N 3Å; A405-N407 VanDerWaalsContact C-N 3.3Å; A405-N407 PolarHBondContact O-N 3.28Å; A405-N407 VanDerWaalsContact O-N 3.1Å; A405-K408 PolarHBondContact O-N 2.99Å
406L79.6Confident79.2Confident1 Ų153.2 Ų53.21%0.00530%0.296CS..Hα-helixtrans-54.6-35.1-170.9-88.6157.7000115.9M402 P416 L432 H435 A437M402-L406 HydrophobicContact CB-CD1 4.43Å; M402-L406 HydrophobicContact CG-CD1 4.38Å; M402-L406 WeakPolarHBondContact O-CB 3.18Å; M402-L406 WeakPolarHBondContact O-CD1 3.5Å; M402-L406 VanDerWaalsContact O-CG 3.29Å; M402-L406 WeakPolarHBondContact O-CG 3.39Å; M402-L406 PolarHBondContact O-N 3.22Å; L406-P416 WeakPolarHBondContact O-CD 3.32Å; L406-P416 WeakPolarHBondContact O-CG 3.36Å; L406-L432 HydrophobicContact CD2-CD2 3.31Å; L406-H435 HydrophobicContact CD1-CB 3.79Å; L406-A437 HydrophobicContact CD2-CB 4.23Å
407N80.8Confident79.6Confident50 Ų5048.8 Ų48.827%0.26728%0.277SS..THydrogen-bonded Turntrans-108.77.3-174.3-65.2-44.7000114A405 R438A405-N407 VanDerWaalsContact C-N 3.3Å; A405-N407 PolarHBondContact O-N 3.28Å; A405-N407 VanDerWaalsContact O-N 3.1Å; N407-R438 PolarHBondContact OD1-N 3.25Å
408K82.8Confident80.3Confident86 Ų8646.1 Ų46.137%0.37426%0.261SS..  trans-67137.4174.6-99.1177.8172.3177.80110.4S372 H379 A405S372-K408 PolarHBondContact O-NZ 3.07Å; H379-K408 PolarHBondContact CE1-O 3.4Å; H379-K408 PolarHBondContact NE2-O 2.83Å; A405-K408 PolarHBondContact O-N 2.99Å
409Q85.5Confident80.8Confident110 Ų11045 Ų4551%0.51425%0.248SC..  trans-95.2141.3176.9-67.8178.4-2500110.8G413 R414 V441 F442Q409-G413 VanDerWaalsContact CD-O 3.28Å; Q409-G413 VanDerWaalsContact CG-O 3.3Å; Q409-G413 WeakPolarHBondContact CG-O 3.25Å; Q409-G413 PolarHBondContact NE2-O 2.95Å; Q409-R414 CarbonylContact C-O 3.57Å; Q409-R414 WeakPolarHBondContact CA-O 3.45Å; Q409-V441 HydrophobicContact CG-CG1 4.22Å; Q409-F442 PolarHBondContact NE2-O 2.93Å
410N81.4Confident81.6Confident18 Ų1839.2 Ų39.210%0.09622%0.218CC..  trans-78.7-175.1171.2707.1000111.1E375 N412 G413 R414E375-N410 HydrophobicContact CG-CB 4.47Å; N410-N412 PolarHBondContact O-N 3.43Å; N410-N412 PolarHBondContact OD1-N 3.4Å; N410-G413 PolarHBondContact O-N 3.02Å; N410-G413 PolarHBondContact OD1-N 3.45Å; N410-R414 PolarHBondContact N-O 3.48Å; N410-R414 WeakPolarHBondContact OD1-CB 3.36Å; N410-R414 PolarHBondContact OD1-N 2.99Å
411K80.6Confident82.5Confident145 Ų14536.4 Ų36.463%0.6319%0.189SC*.THydrogen-bonded Turntrans-59.1-19.9-179.8-67.2-176.9179.4-179.60114.7
412N76.2Confident83.4Confident81 Ų8135.9 Ų35.943%0.43318%0.18SC..THydrogen-bonded Turntrans-97.39.9178.6-58.6-2.1000111.6N410 R414 E444N410-N412 PolarHBondContact O-N 3.43Å; N410-N412 PolarHBondContact OD1-N 3.4Å; N412-R414 HydrophobicContact CB-CG 4.14Å; N412-R414 PolarHBondContact O-N 2.85Å; N412-E444 PolarHBondContact O-N 3.38Å
413G82.2Confident84Confident8 Ų839 Ų398%0.08220%0.197CC..SBendtrans75.85.9-174.800000114.3Q409 N410Q409-G413 VanDerWaalsContact CD-O 3.28Å; Q409-G413 VanDerWaalsContact CG-O 3.3Å; Q409-G413 WeakPolarHBondContact CG-O 3.25Å; Q409-G413 PolarHBondContact NE2-O 2.95Å; N410-G413 PolarHBondContact O-N 3.02Å; N410-G413 PolarHBondContact OD1-N 3.45Å
414R86.5Confident84.7Confident36 Ų3636.4 Ų36.414%0.13619%0.189CC..  trans-84.3135.2-172.5-58.8-176.5-179.6-180-7111.9H379 Q409 N410 N412 L418 E419 D443H379-R414 PolarHBondContact NE2-O 3.45Å; Q409-R414 CarbonylContact C-O 3.57Å; Q409-R414 WeakPolarHBondContact CA-O 3.45Å; N410-R414 PolarHBondContact N-O 3.48Å; N410-R414 WeakPolarHBondContact OD1-CB 3.36Å; N410-R414 PolarHBondContact OD1-N 2.99Å; N412-R414 HydrophobicContact CB-CG 4.14Å; N412-R414 PolarHBondContact O-N 2.85Å; R414-L418 HydrophobicContact CB-CB 3.98Å; R414-L418 HydrophobicContact CB-CD1 4.43Å; R414-L418 HydrophobicContact CG-CB 4.44Å; R414-E419 WeakPolarHBondContact CD-OE2 3.31Å; R414-E419 IonicContact CZ-OE2 2.74Å; R414-E419 IonicContact NE-OE2 3.78Å; R414-E419 IonicContact NH1-OE1 2.81Å; R414-E419 PolarHBondContact NH1-OE1 3.19Å; R414-E419 IonicContact NH1-OE2 2.81Å; R414-E419 PolarHBondContact NH1-OE2 2.98Å; R414-D443 HydrophobicContact CG-CB 3.76Å
415S88.5Confident85.4Confident2 Ų234 Ų341%0.01417%0.171CC..  trans-77.6163.6167.167.50000111.1L417 L418 E419S415-L417 PolarHBondContact O-N 3.12Å; S415-L417 PolarHBondContact OG-N 3.1Å; S415-L418 WeakPolarHBondContact O-CB 3.45Å; S415-L418 PolarHBondContact O-N 2.96Å; S415-L418 VanDerWaalsContact O-N 3.1Å; S415-L418 PolarHBondContact OG-N 3.43Å; S415-L418 VanDerWaalsContact OG-N 3.16Å; S415-E419 PolarHBondContact O-N 3.32Å; S415-E419 VanDerWaalsContact O-N 3.12Å
416P87.2Confident86Confident0 Ų035.9 Ų35.90%018%0.183CC..Hα-helixtrans-55.4-32.5171-2232.4000112.2L378 A382 L406 E419 A420 L432L378-P416 HydrophobicContact CB-CB 4.08Å; L378-P416 HydrophobicContact CB-CG 3.93Å; A382-P416 VanDerWaalsContact CB-O 3.23Å; A382-P416 WeakPolarHBondContact CB-O 3.36Å; L406-P416 WeakPolarHBondContact O-CD 3.32Å; L406-P416 WeakPolarHBondContact O-CG 3.36Å; P416-E419 PolarHBondContact O-N 3.44Å; P416-A420 WeakPolarHBondContact O-CB 3.25Å; P416-A420 PolarHBondContact O-N 2.96Å; P416-L432 HydrophobicContact CB-CD1 4.35Å; P416-L432 HydrophobicContact CB-CD2 4.23Å
417L90.6Very high86.4Confident3 Ų341.9 Ų41.92%0.01621%0.209CC..Hα-helixtrans-65.1-47.7175.1-171.376.2000111.7S415 E419 A420 C421 V429 L432 L433 R438 I439S415-L417 PolarHBondContact O-N 3.12Å; S415-L417 PolarHBondContact OG-N 3.1Å; L417-E419 VanDerWaalsContact C-N 3.25Å; L417-E419 PolarHBondContact O-N 2.89Å; L417-A420 PolarHBondContact O-N 3.44Å; L417-C421 WeakPolarHBondContact O-CB 3.49Å; L417-C421 PolarHBondContact O-N 3.22Å; L417-C421 PolarHBondContact O-SG 3.47Å; L417-V429 HydrophobicContact CD1-CG1 4.03Å; L417-L432 HydrophobicContact CB-CD1 4.31Å; L417-L432 HydrophobicContact CD1-CB 3.99Å; L417-L432 HydrophobicContact CD1-CD1 4.1Å; L417-L433 HydrophobicContact CD1-CD2 4.25Å; L417-L433 HydrophobicContact CD1-CG 4.21Å; L417-R438 WeakPolarHBondContact CD2-O 3.46Å; L417-I439 HydrophobicContact CD2-CB 4.46Å; L417-I439 HydrophobicContact CD2-CG1 4.15Å
418L90.9Very high86.8Confident1 Ų139.7 Ų39.71%0.00520%0.197CC..Hα-helixtrans-56.7-41.8175.8-88149.5000111.4R414 S415 C421 S422 V441 M452R414-L418 HydrophobicContact CB-CB 3.98Å; R414-L418 HydrophobicContact CB-CD1 4.43Å; R414-L418 HydrophobicContact CG-CB 4.44Å; S415-L418 WeakPolarHBondContact O-CB 3.45Å; S415-L418 PolarHBondContact O-N 2.96Å; S415-L418 VanDerWaalsContact O-N 3.1Å; S415-L418 PolarHBondContact OG-N 3.43Å; S415-L418 VanDerWaalsContact OG-N 3.16Å; L418-C421 PolarHBondContact O-N 2.8Å; L418-S422 PolarHBondContact O-N 3.4Å; L418-V441 HydrophobicContact CD1-CB 4.4Å; L418-V441 HydrophobicContact CD1-CG1 4.22Å; L418-V441 WeakPolarHBondContact CD1-O 3.44Å; L418-M452 HydrophobicContact CD2-CE 4.14Å; L418-M452 HydrophobicContact CD2-CG 3.75Å
419E88.7Confident87.1Confident6 Ų635.6 Ų35.63%0.02818%0.179CC..Hα-helixtrans-74.9-33.4-178.4-145.968.2157.400113A382 K383 R414 S415 P416 L417 S422 N423A382-E419 HydrophobicContact CB-CB 4.05Å; K383-E419 VanDerWaalsContact CE-OE1 3.26Å; K383-E419 WeakPolarHBondContact CE-OE1 3.36Å; K383-E419 HydrophobicContact CG-CG 3.96Å; K383-E419 IonicContact NZ-OE1 3.66Å; R414-E419 WeakPolarHBondContact CD-OE2 3.31Å; R414-E419 IonicContact CZ-OE2 2.74Å; R414-E419 IonicContact NE-OE2 3.78Å; R414-E419 IonicContact NH1-OE1 2.81Å; R414-E419 PolarHBondContact NH1-OE1 3.19Å; R414-E419 IonicContact NH1-OE2 2.81Å; R414-E419 PolarHBondContact NH1-OE2 2.98Å; S415-E419 PolarHBondContact O-N 3.32Å; S415-E419 VanDerWaalsContact O-N 3.12Å; P416-E419 PolarHBondContact O-N 3.44Å; L417-E419 VanDerWaalsContact C-N 3.25Å; L417-E419 PolarHBondContact O-N 2.89Å; E419-S422 PolarHBondContact O-N 2.93Å; E419-N423 PolarHBondContact O-N 3.17Å; E419-N423 PolarHBondContact O-ND2 3.15Å
420A89.8Confident87.4Confident0 Ų034.6 Ų34.60%017%0.174CC..Hα-helixtrans-68.6-39.1172.700000111.4A382 P416 L417 S422 N423 G424 H425 I428 V429 L432A382-A420 HydrophobicContact CB-CB 3.96Å; P416-A420 WeakPolarHBondContact O-CB 3.25Å; P416-A420 PolarHBondContact O-N 2.96Å; L417-A420 PolarHBondContact O-N 3.44Å; A420-S422 VanDerWaalsContact C-N 3.35Å; A420-N423 PolarHBondContact O-N 3.38Å; A420-G424 PolarHBondContact O-N 2.76Å; A420-G424 VanDerWaalsContact O-N 3.1Å; A420-H425 PolarHBondContact O-N 3.29Å; A420-H425 VanDerWaalsContact O-N 3.13Å; A420-I428 HydrophobicContact CB-CB 4.45Å; A420-I428 HydrophobicContact CB-CG2 3.86Å; A420-V429 HydrophobicContact CB-CG2 3.63Å; A420-L432 HydrophobicContact CB-CD1 4.04Å
421C91.3Very high87.7Confident0 Ų035.9 Ų35.90%018%0.181CC..Hα-helixtrans-65.9-35.7173.7-68.90000112.4L417 L418 N423 M452 H458L417-C421 WeakPolarHBondContact O-CB 3.49Å; L417-C421 PolarHBondContact O-N 3.22Å; L417-C421 PolarHBondContact O-SG 3.47Å; L418-C421 PolarHBondContact O-N 2.8Å; C421-N423 VanDerWaalsContact C-N 3.33Å; C421-M452 HydrophobicContact CB-CB 4.39Å; C421-H458 PolarHBondContact O-CD2 3.07Å
422S89.7Confident88.1Confident23 Ų2329 Ų2916%0.16115%0.151CC..Hα-helixtrans-66.3-32.6175.4-177.10000112.8L418 E419 A420 N456L418-S422 PolarHBondContact O-N 3.4Å; E419-S422 PolarHBondContact O-N 2.93Å; A420-S422 VanDerWaalsContact C-N 3.35Å; S422-N456 PolarHBondContact O-ND2 2.75Å; S422-N456 PolarHBondContact OG-ND2 2.88Å
423N87.6Confident88.6Confident68 Ų6826.5 Ų26.536%0.36414%0.138SC..Hα-helixtrans-98.1-3-177.7-65.2-64.3000113.7A382 E419 A420 C421 H425A382-N423 PolarHBondContact O-ND2 3.44Å; E419-N423 PolarHBondContact O-N 3.17Å; E419-N423 PolarHBondContact O-ND2 3.15Å; A420-N423 PolarHBondContact O-N 3.38Å; C421-N423 VanDerWaalsContact C-N 3.33Å; N423-H425 VanDerWaalsContact CB-CD2 3.49Å; N423-H425 WeakPolarHBondContact CB-CD2 3.42Å; N423-H425 WeakPolarHBondContact CB-NE2 3.43Å
424G88.1Confident88.9Confident19 Ų1932.7 Ų32.720%0.19617%0.165CC..THydrogen-bonded Turntrans8315.2176.100000115.5A420 T426 H458A420-G424 PolarHBondContact O-N 2.76Å; A420-G424 VanDerWaalsContact O-N 3.1Å; G424-T426 PolarHBondContact O-N 3.24Å; G424-H458 VanDerWaalsContact CA-CD2 3.47Å; G424-H458 WeakPolarHBondContact CA-CD2 3.25Å; G424-H458 VanDerWaalsContact CA-CE1 3.46Å; G424-H458 WeakPolarHBondContact CA-CE1 3.47Å; G424-H458 WeakPolarHBondContact CA-NE2 2.98Å; G424-H458 PolarHBondContact N-NE2 3.26Å; G424-H458 VanDerWaalsContact N-NE2 3.2Å
425H89.2Confident88.8Confident52 Ų5233.1 Ų33.124%0.24117%0.168CC..  trans-81.678.6-172.8-64.2-52.5000112.4A382 K383 G385 A420 N423 K427 I428 V429A382-H425 PolarHBondContact O-CD2 3.46Å; A382-H425 VanDerWaalsContact O-CD2 3.27Å; K383-H425 PolarHBondContact O-NE2 3.18Å; K383-H425 VanDerWaalsContact O-NE2 3.08Å; G385-H425 VanDerWaalsContact CA-CE1 3.46Å; G385-H425 WeakPolarHBondContact CA-CE1 3.37Å; G385-H425 WeakPolarHBondContact CA-NE2 3.25Å; G385-H425 PolarHBondContact N-NE2 3.06Å; A420-H425 PolarHBondContact O-N 3.29Å; A420-H425 VanDerWaalsContact O-N 3.13Å; N423-H425 VanDerWaalsContact CB-CD2 3.49Å; N423-H425 WeakPolarHBondContact CB-CD2 3.42Å; N423-H425 WeakPolarHBondContact CB-NE2 3.43Å; H425-K427 PolarHBondContact O-N 3.16Å; H425-I428 HydrophobicContact CB-CB 4.12Å; H425-I428 HydrophobicContact CB-CD1 4.32Å; H425-I428 HydrophobicContact CB-CG1 4.36Å; H425-I428 PolarHBondContact O-N 3.28Å; H425-I428 VanDerWaalsContact O-N 3.1Å; H425-V429 WeakPolarHBondContact O-CG2 3.38Å; H425-V429 PolarHBondContact O-N 3.28Å
426T89.1Confident88.7Confident45 Ų4538.8 Ų38.828%0.27620%0.198SC..Hα-helixtrans-47.9-50.6-178.845.40000113.7G424 I428 V429 E430 L461G424-T426 PolarHBondContact O-N 3.24Å; T426-I428 VanDerWaalsContact C-N 3.35Å; T426-I428 PolarHBondContact O-N 3.05Å; T426-V429 WeakPolarHBondContact O-CB 3.09Å; T426-V429 PolarHBondContact O-N 2.9Å; T426-V429 VanDerWaalsContact O-N 3.14Å; T426-E430 WeakPolarHBondContact O-CG 3.04Å; T426-E430 PolarHBondContact O-N 2.88Å; T426-L461 HydrophobicContact CG2-CD1 4.33Å; T426-L461 HydrophobicContact CG2-CD2 4.37Å; T426-L461 HydrophobicContact CG2-CG 3.85Å
427K88Confident88.6Confident126 Ų12639.2 Ų39.255%0.54820%0.202SC..Hα-helixtrans-61.4-37.8-179.9-75.7170.2179168.50113.8H425 L431H425-K427 PolarHBondContact O-N 3.16Å; K427-L431 WeakPolarHBondContact O-CG 3.35Å; K427-L431 PolarHBondContact O-N 3.16Å; K427-L431 VanDerWaalsContact O-N 3.07Å
428I88.7Confident88.5Confident4 Ų446.7 Ų46.72%0.02123%0.23CC..Hα-helixtrans-70.3-40.9176.2-69.4-175.6000109.7L381 H387 A420 H425 T426 E430 L431 L432L381-I428 WeakPolarHBondContact O-CD1 3.28Å; H387-I428 HydrophobicContact CB-CG1 4.25Å; A420-I428 HydrophobicContact CB-CB 4.45Å; A420-I428 HydrophobicContact CB-CG2 3.86Å; H425-I428 HydrophobicContact CB-CB 4.12Å; H425-I428 HydrophobicContact CB-CD1 4.32Å; H425-I428 HydrophobicContact CB-CG1 4.36Å; H425-I428 PolarHBondContact O-N 3.28Å; H425-I428 VanDerWaalsContact O-N 3.1Å; T426-I428 VanDerWaalsContact C-N 3.35Å; T426-I428 PolarHBondContact O-N 3.05Å; I428-E430 VanDerWaalsContact C-N 3.32Å; I428-E430 PolarHBondContact O-N 3.09Å; I428-L431 PolarHBondContact O-N 3.03Å; I428-L432 HydrophobicContact CG2-CD1 3.73Å; I428-L432 HydrophobicContact CG2-CG 4.04Å; I428-L432 WeakPolarHBondContact O-CB 3.36Å; I428-L432 WeakPolarHBondContact O-CG 3.35Å; I428-L432 PolarHBondContact O-N 2.92Å
429V90Very high88.2Confident0 Ų048.3 Ų48.30%024%0.238CC..Hα-helixtrans-60.8-42.8176173.20000110.9L417 A420 H425 T426 L432 L433 L461L417-V429 HydrophobicContact CD1-CG1 4.03Å; A420-V429 HydrophobicContact CB-CG2 3.63Å; H425-V429 WeakPolarHBondContact O-CG2 3.38Å; H425-V429 PolarHBondContact O-N 3.28Å; T426-V429 WeakPolarHBondContact O-CB 3.09Å; T426-V429 PolarHBondContact O-N 2.9Å; T426-V429 VanDerWaalsContact O-N 3.14Å; V429-L432 PolarHBondContact O-N 2.71Å; V429-L433 HydrophobicContact CG1-CD1 3.67Å; V429-L433 HydrophobicContact CG1-CG 4.27Å; V429-L433 WeakPolarHBondContact O-CB 3.06Å; V429-L433 WeakPolarHBondContact O-CD1 3.49Å; V429-L433 WeakPolarHBondContact O-CG 3.33Å; V429-L433 PolarHBondContact O-N 3.42Å; V429-L461 HydrophobicContact CB-CD2 3.79Å; V429-L461 HydrophobicContact CG1-CD2 3.7Å; V429-L461 HydrophobicContact CG2-CD2 3.71Å
430E90.9Very high88Confident89 Ų8953.1 Ų53.142%0.41626%0.264SS..Hα-helixtrans-59-48173.1-73.1175.5168.800112.3T426 I428 L433 Q434 L464T426-E430 WeakPolarHBondContact O-CG 3.04Å; T426-E430 PolarHBondContact O-N 2.88Å; I428-E430 VanDerWaalsContact C-N 3.32Å; I428-E430 PolarHBondContact O-N 3.09Å; E430-L433 PolarHBondContact O-N 3.24Å; E430-Q434 WeakPolarHBondContact O-CB 3.26Å; E430-Q434 VanDerWaalsContact O-CG 3.28Å; E430-Q434 WeakPolarHBondContact O-CG 3.36Å; E430-Q434 PolarHBondContact O-N 3.37Å; E430-L464 HydrophobicContact CG-CD1 4.03Å
431L87.6Confident87.8Confident45 Ų4554 Ų5424%0.23627%0.269CS..Hα-helixtrans-63-41.4177.5-72.5169.7000112.3H387 F390 K427 I428 Q434 H435H387-L431 HydrophobicContact CB-CD1 4.33Å; F390-L431 HydrophobicContact CD1-CB 4.28Å; F390-L431 HydrophobicContact CD1-CD1 3.99Å; F390-L431 HydrophobicContact CE1-CB 3.92Å; F390-L431 HydrophobicContact CE1-CD1 4.45Å; F390-L431 HydrophobicContact CZ-CB 4.43Å; K427-L431 WeakPolarHBondContact O-CG 3.35Å; K427-L431 PolarHBondContact O-N 3.16Å; K427-L431 VanDerWaalsContact O-N 3.07Å; I428-L431 PolarHBondContact O-N 3.03Å; L431-Q434 PolarHBondContact O-N 3.29Å; L431-H435 PolarHBondContact O-CD2 3.45Å; L431-H435 PolarHBondContact O-N 2.78Å; L431-H435 VanDerWaalsContact O-N 3.13Å
432L88.5Confident87.7Confident1 Ų159.1 Ų59.11%0.00529%0.292CS..Hα-helixtrans-63.1-43.3176.1-71.9172000111F390 L406 P416 L417 A420 I428 V429 H435 N436 A437F390-L432 HydrophobicContact CE2-CD2 3.81Å; F390-L432 HydrophobicContact CE2-CG 4.42Å; F390-L432 HydrophobicContact CZ-CD2 4Å; L406-L432 HydrophobicContact CD2-CD2 3.31Å; P416-L432 HydrophobicContact CB-CD1 4.35Å; P416-L432 HydrophobicContact CB-CD2 4.23Å; L417-L432 HydrophobicContact CB-CD1 4.31Å; L417-L432 HydrophobicContact CD1-CB 3.99Å; L417-L432 HydrophobicContact CD1-CD1 4.1Å; A420-L432 HydrophobicContact CB-CD1 4.04Å; I428-L432 HydrophobicContact CG2-CD1 3.73Å; I428-L432 HydrophobicContact CG2-CG 4.04Å; I428-L432 WeakPolarHBondContact O-CB 3.36Å; I428-L432 WeakPolarHBondContact O-CG 3.35Å; I428-L432 PolarHBondContact O-N 2.92Å; V429-L432 PolarHBondContact O-N 2.71Å; L432-H435 CarbonylContact O-C 3.53Å; L432-H435 PolarHBondContact O-N 2.88Å; L432-N436 PolarHBondContact O-N 2.98Å; L432-A437 HydrophobicContact CB-CB 4.04Å; L432-A437 WeakPolarHBondContact O-CB 3.48Å; L432-A437 PolarHBondContact O-N 3.41Å
433L88.3Confident87.7Confident28 Ų2858.6 Ų58.615%0.14729%0.287CS..Hα-helixtrans-69-38178-69.5170.2000112.2L417 V429 E430 H435 N436 I439 L464L417-L433 HydrophobicContact CD1-CD2 4.25Å; L417-L433 HydrophobicContact CD1-CG 4.21Å; V429-L433 HydrophobicContact CG1-CD1 3.67Å; V429-L433 HydrophobicContact CG1-CG 4.27Å; V429-L433 WeakPolarHBondContact O-CB 3.06Å; V429-L433 WeakPolarHBondContact O-CD1 3.49Å; V429-L433 WeakPolarHBondContact O-CG 3.33Å; V429-L433 PolarHBondContact O-N 3.42Å; E430-L433 PolarHBondContact O-N 3.24Å; L433-H435 VanDerWaalsContact C-N 3.26Å; L433-H435 PolarHBondContact O-N 2.94Å; L433-N436 PolarHBondContact O-N 3.26Å; L433-N436 VanDerWaalsContact O-N 3.09Å; L433-I439 HydrophobicContact CD2-CD1 3.65Å; L433-I439 HydrophobicContact CD2-CG1 3.58Å; L433-L464 HydrophobicContact CD1-CD2 4.27Å
434Q88Confident87.7Confident139 Ų13961.4 Ų61.465%0.6530%0.298SS*.Hα-helixtrans-62.2-31.7173.7-78.6175.4-0.300112.8E430 L431 N436E430-Q434 WeakPolarHBondContact O-CB 3.26Å; E430-Q434 VanDerWaalsContact O-CG 3.28Å; E430-Q434 WeakPolarHBondContact O-CG 3.36Å; E430-Q434 PolarHBondContact O-N 3.37Å; L431-Q434 PolarHBondContact O-N 3.29Å; Q434-N436 VanDerWaalsContact C-N 3.3Å
435H84.2Confident87.6Confident44 Ų4462.4 Ų62.420%0.20430%0.302CS..THydrogen-bonded Turntrans-92.222.2174.5-69-65.1000113.5Q403 L406 L431 L432 L433Q403-H435 PolarHBondContact NE2-O 2.93Å; Q403-H435 VanDerWaalsContact NE2-O 3.08Å; L406-H435 HydrophobicContact CD1-CB 3.79Å; L431-H435 PolarHBondContact O-CD2 3.45Å; L431-H435 PolarHBondContact O-N 2.78Å; L431-H435 VanDerWaalsContact O-N 3.13Å; L432-H435 CarbonylContact O-C 3.53Å; L432-H435 PolarHBondContact O-N 2.88Å; L433-H435 VanDerWaalsContact C-N 3.26Å; L433-H435 PolarHBondContact O-N 2.94Å
436N85.7Confident87.5Confident121 Ų12160.4 Ų60.465%0.64730%0.295SS*.THydrogen-bonded Turntrans61.241.7174.8-60.2-2.2000114.7L432 L433 Q434L432-N436 PolarHBondContact O-N 2.98Å; L433-N436 PolarHBondContact O-N 3.26Å; L433-N436 VanDerWaalsContact O-N 3.09Å; Q434-N436 VanDerWaalsContact C-N 3.3Å
437A86.4Confident87.6Confident9 Ų960.5 Ų60.57%0.07429%0.29CS..  trans-63.3137.7167.100000111.5L406 L432L406-A437 HydrophobicContact CD2-CB 4.23Å; L432-A437 HydrophobicContact CB-CB 4.04Å; L432-A437 WeakPolarHBondContact O-CB 3.48Å; L432-A437 PolarHBondContact O-N 3.41Å
438R87.4Confident87.7Confident160 Ų16055.1 Ų55.160%0.60427%0.268SS*.  trans-72.9129176.6-85.4-174.5-179.3144-0.6111.6N407 L417 D440 V441N407-R438 PolarHBondContact OD1-N 3.25Å; L417-R438 WeakPolarHBondContact CD2-O 3.46Å; R438-D440 VanDerWaalsContact CB-OD1 3.31Å; R438-D440 WeakPolarHBondContact CB-OD1 3.04Å; R438-V441 HydrophobicContact CB-CG2 3.71Å
439I85.2Confident87.9Confident36 Ų3655 Ų5519%0.18527%0.268CS..SBendtrans-86.2-25.9-179.5-59.8169.1000111.3L417 L433 V441 N468 A470L417-I439 HydrophobicContact CD2-CB 4.46Å; L417-I439 HydrophobicContact CD2-CG1 4.15Å; L433-I439 HydrophobicContact CD2-CD1 3.65Å; L433-I439 HydrophobicContact CD2-CG1 3.58Å; I439-V441 PolarHBondContact O-N 3.5Å; I439-N468 HydrophobicContact CD1-CB 3.68Å; I439-N468 WeakPolarHBondContact CD1-O 3.31Å; I439-A470 HydrophobicContact CG2-CB 4.14Å
440D83.6Confident88Confident107 Ų10755.1 Ų55.157%0.57227%0.268SS*.  trans-83.319.7-177.458.7-28.5000113.8R438 F442R438-D440 VanDerWaalsContact CB-OD1 3.31Å; R438-D440 WeakPolarHBondContact CB-OD1 3.04Å; D440-F442 WeakPolarHBondContact O-CE2 3.39Å
441V87.4Confident88.1Confident18 Ų1850.9 Ų50.911%0.10925%0.249CC..  trans-84130.9175.4-173.60000109.8Q409 L418 R438 I439Q409-V441 HydrophobicContact CG-CG1 4.22Å; L418-V441 HydrophobicContact CD1-CB 4.4Å; L418-V441 HydrophobicContact CD1-CG1 4.22Å; L418-V441 WeakPolarHBondContact CD1-O 3.44Å; R438-V441 HydrophobicContact CB-CG2 3.71Å; I439-V441 PolarHBondContact O-N 3.5Å
442F88.2Confident88.2Confident108 Ų10848.8 Ų48.847%0.47424%0.238SC..  trans-103.3144.8177-55.2-76.2000111.2Q409 D440 R447 T448Q409-F442 PolarHBondContact NE2-O 2.93Å; D440-F442 WeakPolarHBondContact O-CE2 3.39Å; F442-R447 WeakPolarHBondContact CA-O 3.24Å; F442-T448 HydrophobicContact CD1-CG2 3.62Å; F442-T448 HydrophobicContact CE1-CG2 3.35Å; F442-T448 HydrophobicContact CZ-CG2 4.48Å
443D89.2Confident88.4Confident11 Ų1148.7 Ų48.76%0.05924%0.237CC..  trans-78.9179.1167.583.4-7.1000112.2R414 S445 G446 R447 M452R414-D443 HydrophobicContact CG-CB 3.76Å; D443-S445 PolarHBondContact O-N 3.08Å; D443-S445 VanDerWaalsContact OD1-C 3.29Å; D443-S445 VanDerWaalsContact OD1-CA 3.28Å; D443-S445 WeakPolarHBondContact OD1-CA 3.45Å; D443-S445 WeakPolarHBondContact OD1-CB 3.26Å; D443-S445 PolarHBondContact OD1-N 3.49Å; D443-S445 PolarHBondContact OD1-OG 3Å; D443-S445 PolarHBondContact OD2-OG 2.87Å; D443-G446 PolarHBondContact O-N 3.23Å; D443-G446 PolarHBondContact OD1-N 3.32Å; D443-R447 PolarHBondContact N-O 3.39Å; D443-R447 VanDerWaalsContact N-O 3.1Å; D443-R447 WeakPolarHBondContact OD1-CB 3.39Å; D443-R447 PolarHBondContact OD1-N 3.19Å; D443-R447 IonicContact OD2-CZ 3.76Å; D443-R447 IonicContact OD2-NE 3.87Å; D443-R447 PolarHBondContact OD2-NE 3.16Å; D443-R447 VanDerWaalsContact OD2-NE 3.15Å; D443-R447 IonicContact OD2-NH2 2.79Å; D443-M452 HydrophobicContact CB-CE 4.44Å; D443-M452 WeakPolarHBondContact OD2-CE 3.31Å
444E88.7Confident88.7Confident128 Ų12847.4 Ų47.460%0.59823%0.23SC*.THydrogen-bonded Turntrans-62.2-21.9178-79.2-168.9161.200114.3N412 K477N412-E444 PolarHBondContact O-N 3.38Å; E444-K477 VanDerWaalsContact O-CD 3.29Å; E444-K477 WeakPolarHBondContact O-CD 3.45Å; E444-K477 WeakPolarHBondContact O-CE 3.45Å; E444-K477 PolarHBondContact O-NZ 3.27Å
445S85.1Confident88.9Confident39 Ų3942.6 Ų42.627%0.27321%0.208SC..THydrogen-bonded Turntrans-89.9-0.3174.157.30000113.3D443 R447 T476 K477D443-S445 PolarHBondContact O-N 3.08Å; D443-S445 VanDerWaalsContact OD1-C 3.29Å; D443-S445 VanDerWaalsContact OD1-CA 3.28Å; D443-S445 WeakPolarHBondContact OD1-CA 3.45Å; D443-S445 WeakPolarHBondContact OD1-CB 3.26Å; D443-S445 PolarHBondContact OD1-N 3.49Å; D443-S445 PolarHBondContact OD1-OG 3Å; D443-S445 PolarHBondContact OD2-OG 2.87Å; S445-R447 VanDerWaalsContact C-N 3.34Å; S445-R447 WeakPolarHBondContact OG-CG 3.43Å; S445-R447 PolarHBondContact OG-NE 2.48Å; S445-R447 PolarHBondContact OG-NH2 2.94Å; S445-T476 WeakPolarHBondContact O-CB 3.47Å; S445-K477 WeakPolarHBondContact O-CB 3.49Å; S445-K477 WeakPolarHBondContact O-CG 3.36Å; S445-K477 PolarHBondContact O-N 3.04Å
446G88.2Confident89.2Confident10 Ų1043.6 Ų43.610%0.10322%0.215CC..  trans77.616-175.200000113.9D443D443-G446 PolarHBondContact O-N 3.23Å; D443-G446 PolarHBondContact OD1-N 3.32Å
447R90.3Very high89.4Confident47 Ų4738.7 Ų38.718%0.17719%0.193CC..  trans-74.6137.7175.6-72.7-177-86.8-163-14.8110.4F442 D443 S445 H451 M452 E455 T476 F485F442-R447 WeakPolarHBondContact CA-O 3.24Å; D443-R447 PolarHBondContact N-O 3.39Å; D443-R447 VanDerWaalsContact N-O 3.1Å; D443-R447 WeakPolarHBondContact OD1-CB 3.39Å; D443-R447 PolarHBondContact OD1-N 3.19Å; D443-R447 IonicContact OD2-CZ 3.76Å; D443-R447 IonicContact OD2-NE 3.87Å; D443-R447 PolarHBondContact OD2-NE 3.16Å; D443-R447 VanDerWaalsContact OD2-NE 3.15Å; D443-R447 IonicContact OD2-NH2 2.79Å; S445-R447 VanDerWaalsContact C-N 3.34Å; S445-R447 WeakPolarHBondContact OG-CG 3.43Å; S445-R447 PolarHBondContact OG-NE 2.48Å; S445-R447 PolarHBondContact OG-NH2 2.94Å; R447-H451 HydrophobicContact CB-CB 3.9Å; R447-H451 HydrophobicContact CG-CB 3.98Å; R447-M452 HydrophobicContact CB-CE 3.92Å; R447-M452 HydrophobicContact CG-CE 4.5Å; R447-E455 IonicContact CZ-OE2 2.68Å; R447-E455 IonicContact NH1-OE1 3.62Å; R447-E455 PolarHBondContact NH1-OE1 3.05Å; R447-E455 IonicContact NH1-OE2 3.77Å; R447-E455 PolarHBondContact NH1-OE2 3.02Å; R447-T476 HydrophobicContact CG-CG2 3.66Å; R447-F485 HydrophobicContact CG-CZ 4.4Å
448T91Very high89.6Confident13 Ų1340.8 Ų40.88%0.0820%0.201CC..  trans-91.316916960.90000110.5F442 L450 H451 M452 S474F442-T448 HydrophobicContact CD1-CG2 3.62Å; F442-T448 HydrophobicContact CE1-CG2 3.35Å; F442-T448 HydrophobicContact CZ-CG2 4.48Å; T448-L450 PolarHBondContact O-N 3.41Å; T448-H451 PolarHBondContact N-ND1 2.93Å; T448-H451 VanDerWaalsContact N-ND1 3.15Å; T448-H451 WeakPolarHBondContact O-CB 3.39Å; T448-H451 PolarHBondContact O-N 3.29Å; T448-H451 PolarHBondContact OG1-N 2.82Å; T448-H451 PolarHBondContact OG1-ND1 2.86Å; T448-M452 PolarHBondContact O-N 3.38Å; T448-S474 PolarHBondContact OG1-OG 3.39Å
449S91.2Very high89.8Confident3 Ų335.7 Ų35.72%0.02119%0.188CC..Hα-helixtrans-53.3-33.9170.743.60000112.9M452 A453S449-M452 PolarHBondContact O-N 3.42Å; S449-A453 WeakPolarHBondContact O-CB 3.28Å; S449-A453 PolarHBondContact O-N 3.28Å
450L92.5Very high90.1Very high1 Ų141.1 Ų41.11%0.00521%0.212CC..Hα-helixtrans-69.4-35.7176.4-164.571.2000112.6T448 A454 C462 L465 I466 P482T448-L450 PolarHBondContact O-N 3.41Å; L450-A454 VanDerWaalsContact O-CB 3.25Å; L450-A454 WeakPolarHBondContact O-CB 3.48Å; L450-A454 PolarHBondContact O-N 2.94Å; L450-C462 HydrophobicContact CD1-CB 4.29Å; L450-L465 HydrophobicContact CD1-CB 4.13Å; L450-L465 HydrophobicContact CD1-CD1 4.32Å; L450-I466 HydrophobicContact CD1-CD1 4.18Å; L450-I466 HydrophobicContact CD1-CG1 3.84Å; L450-I466 HydrophobicContact CD2-CG1 4.34Å; L450-P482 HydrophobicContact CB-CG 4.44Å; L450-P482 HydrophobicContact CD2-CB 4.38Å; L450-P482 HydrophobicContact CD2-CG 3.87Å; L450-P482 HydrophobicContact CG-CB 4.31Å; L450-P482 HydrophobicContact CG-CG 4.09Å
451H92.8Very high90.4Very high0 Ų036 Ų360%019%0.185CC..Hα-helixtrans-63-46.9173.8-70.892.7000111.2R447 T448 A453 A454 E455 S474 F480 P482 F485R447-H451 HydrophobicContact CB-CB 3.9Å; R447-H451 HydrophobicContact CG-CB 3.98Å; T448-H451 PolarHBondContact N-ND1 2.93Å; T448-H451 VanDerWaalsContact N-ND1 3.15Å; T448-H451 WeakPolarHBondContact O-CB 3.39Å; T448-H451 PolarHBondContact O-N 3.29Å; T448-H451 PolarHBondContact OG1-N 2.82Å; T448-H451 PolarHBondContact OG1-ND1 2.86Å; H451-A453 PolarHBondContact O-N 3.22Å; H451-A454 PolarHBondContact O-N 3.4Å; H451-E455 WeakPolarHBondContact O-CB 3.45Å; H451-E455 PolarHBondContact O-N 3.31Å; H451-S474 PolarHBondContact CE1-O 3.22Å; H451-S474 PolarHBondContact CE1-OG 2.81Å; H451-S474 PolarHBondContact NE2-O 3.47Å; H451-S474 VanDerWaalsContact NE2-O 3.14Å; H451-F480 PolarHBondContact NE2-O 3.45Å; H451-F480 VanDerWaalsContact NE2-O 3.15Å; H451-P482 WeakPolarHBondContact NE2-CD 3.1Å; H451-F485 HydrophobicContact CB-CD2 4.49Å; H451-F485 AromaticContact CD2-CD2 3.67Å; H451-F485 AromaticContact CD2-CE2 3.61Å
452M91.4Very high90.6Very high1 Ų135.2 Ų35.21%0.00518%0.18CC..Hα-helixtrans-62-42.8178.6-64.8-74.7171.300111.8L418 C421 D443 R447 T448 S449 A454 N456L418-M452 HydrophobicContact CD2-CE 4.14Å; L418-M452 HydrophobicContact CD2-CG 3.75Å; C421-M452 HydrophobicContact CB-CB 4.39Å; D443-M452 HydrophobicContact CB-CE 4.44Å; D443-M452 WeakPolarHBondContact OD2-CE 3.31Å; R447-M452 HydrophobicContact CB-CE 3.92Å; R447-M452 HydrophobicContact CG-CE 4.5Å; T448-M452 PolarHBondContact O-N 3.38Å; S449-M452 PolarHBondContact O-N 3.42Å; M452-A454 VanDerWaalsContact C-N 3.34Å; M452-N456 PolarHBondContact O-N 2.89Å; M452-N456 PolarHBondContact O-ND2 2.93Å
453A92.7Very high90.8Very high0 Ų031 Ų310%016%0.163CC..Hα-helixtrans-66.7-36.1177.900000112.2S449 H451 G457 H458 L461 L465S449-A453 WeakPolarHBondContact O-CB 3.28Å; S449-A453 PolarHBondContact O-N 3.28Å; H451-A453 PolarHBondContact O-N 3.22Å; A453-G457 PolarHBondContact O-N 3.46Å; A453-G457 VanDerWaalsContact O-N 3.14Å; A453-H458 PolarHBondContact O-N 2.97Å; A453-L461 HydrophobicContact CB-CB 4.32Å; A453-L465 HydrophobicContact CB-CD1 3.96Å
454A92.9Very high90.9Very high0 Ų032.2 Ų32.20%017%0.169CC..Hα-helixtrans-74.3-37.8178.100000113.2L450 H451 M452 G457 P482 H491 V494L450-A454 VanDerWaalsContact O-CB 3.25Å; L450-A454 WeakPolarHBondContact O-CB 3.48Å; L450-A454 PolarHBondContact O-N 2.94Å; H451-A454 PolarHBondContact O-N 3.4Å; M452-A454 VanDerWaalsContact C-N 3.34Å; A454-G457 PolarHBondContact O-N 2.94Å; A454-P482 HydrophobicContact CB-CB 3.86Å; A454-H491 PolarHBondContact O-CD2 3.4Å; A454-H491 VanDerWaalsContact O-CD2 3.32Å; A454-V494 HydrophobicContact CB-CG1 4.11Å
455E92.2Very high91Very high39 Ų3926.1 Ų26.118%0.18214%0.141CC..Hα-helixtrans-59.6-43.7174.2-172.4176.2174.200111R447 H451 F485 E489 H491R447-E455 IonicContact CZ-OE2 2.68Å; R447-E455 IonicContact NH1-OE1 3.62Å; R447-E455 PolarHBondContact NH1-OE1 3.05Å; R447-E455 IonicContact NH1-OE2 3.77Å; R447-E455 PolarHBondContact NH1-OE2 3.02Å; H451-E455 WeakPolarHBondContact O-CB 3.45Å; H451-E455 PolarHBondContact O-N 3.31Å; E455-F485 HydrophobicContact CB-CB 4.12Å; E455-F485 HydrophobicContact CB-CD1 4.15Å; E455-F485 HydrophobicContact CB-CG 4.37Å; E455-F485 HydrophobicContact CG-CD1 3.95Å; E455-E489 HydrophobicContact CG-CG 4.37Å; E455-E489 WeakPolarHBondContact O-CB 3.33Å; E455-E489 WeakPolarHBondContact O-CG 3.39Å; E455-H491 PolarHBondContact O-CD2 3.38Å; E455-H491 VanDerWaalsContact O-CD2 3.25Å; E455-H491 PolarHBondContact O-NE2 2.76Å
456N90.6Very high91.3Very high65 Ų6525.3 Ų25.335%0.34813%0.133SC..THydrogen-bonded Turntrans-92.74.1-179.1-62.1-43.2000114.7S422 M452 H458S422-N456 PolarHBondContact O-ND2 2.75Å; S422-N456 PolarHBondContact OG-ND2 2.88Å; M452-N456 PolarHBondContact O-N 2.89Å; M452-N456 PolarHBondContact O-ND2 2.93Å; N456-H458 WeakPolarHBondContact CB-NE2 3.02Å
457G90.4Very high91.4Very high18 Ų1833 Ų3319%0.18616%0.159CC..THydrogen-bonded Turntrans76.522171.900000115.7A453 A454 V459 H491A453-G457 PolarHBondContact O-N 3.46Å; A453-G457 VanDerWaalsContact O-N 3.14Å; A454-G457 PolarHBondContact O-N 2.94Å; G457-V459 PolarHBondContact O-N 2.72Å; G457-H491 VanDerWaalsContact CA-CD2 3.42Å; G457-H491 WeakPolarHBondContact CA-CD2 3.28Å; G457-H491 PolarHBondContact N-CD2 3.27Å; G457-H491 PolarHBondContact N-NE2 2.96Å
458H92Very high91.3Very high52 Ų5234 Ų3424%0.24117%0.168CC..  trans-8286.9-176.4-59-50.5000112.3C421 G424 A453 N456 E460 L461 C462C421-H458 PolarHBondContact O-CD2 3.07Å; G424-H458 VanDerWaalsContact CA-CD2 3.47Å; G424-H458 WeakPolarHBondContact CA-CD2 3.25Å; G424-H458 VanDerWaalsContact CA-CE1 3.46Å; G424-H458 WeakPolarHBondContact CA-CE1 3.47Å; G424-H458 WeakPolarHBondContact CA-NE2 2.98Å; G424-H458 PolarHBondContact N-NE2 3.26Å; G424-H458 VanDerWaalsContact N-NE2 3.2Å; A453-H458 PolarHBondContact O-N 2.97Å; N456-H458 WeakPolarHBondContact CB-NE2 3.02Å; H458-E460 PolarHBondContact O-N 2.97Å; H458-L461 HydrophobicContact CB-CB 3.86Å; H458-L461 HydrophobicContact CB-CD1 3.96Å; H458-L461 HydrophobicContact CB-CG 4.46Å; H458-L461 PolarHBondContact O-N 2.94Å; H458-C462 PolarHBondContact O-N 3.22Å; H458-C462 PolarHBondContact O-SG 2.81Å
459V91.6Very high91.1Very high54 Ų5444.3 Ų44.333%0.32721%0.205SC..Hα-helixtrans-57.1-50.2-176.5-174.50000112.6G457 L461 C462 D463 A493 V494 L497G457-V459 PolarHBondContact O-N 2.72Å; V459-L461 PolarHBondContact O-N 2.72Å; V459-C462 PolarHBondContact O-N 3.16Å; V459-D463 PolarHBondContact O-N 3.05Å; V459-A493 HydrophobicContact CG2-CB 3.87Å; V459-V494 HydrophobicContact CG2-CG2 3.87Å; V459-L497 HydrophobicContact CG1-CD1 3.65Å
460E89.7Confident91Very high149 Ų14944.8 Ų44.870%0.69621%0.209SC*.Hα-helixtrans-62.9-42-178.8-66.7-178.3172.200111.9H458 D463 L464H458-E460 PolarHBondContact O-N 2.97Å; E460-D463 PolarHBondContact O-N 3.43Å; E460-L464 WeakPolarHBondContact O-CB 3.13Å; E460-L464 PolarHBondContact O-N 3.39Å
461L91.7Very high90.8Very high1 Ų153.2 Ų53.21%0.00525%0.246CC..Hα-helixtrans-65.8-38.2176.7-91.5165.4000112.4T426 V429 A453 H458 V459 D463 L464 L465T426-L461 HydrophobicContact CG2-CD1 4.33Å; T426-L461 HydrophobicContact CG2-CD2 4.37Å; T426-L461 HydrophobicContact CG2-CG 3.85Å; V429-L461 HydrophobicContact CB-CD2 3.79Å; V429-L461 HydrophobicContact CG1-CD2 3.7Å; V429-L461 HydrophobicContact CG2-CD2 3.71Å; A453-L461 HydrophobicContact CB-CB 4.32Å; H458-L461 HydrophobicContact CB-CB 3.86Å; H458-L461 HydrophobicContact CB-CD1 3.96Å; H458-L461 HydrophobicContact CB-CG 4.46Å; H458-L461 PolarHBondContact O-N 2.94Å; V459-L461 PolarHBondContact O-N 2.72Å; L461-D463 VanDerWaalsContact C-N 3.33Å; L461-D463 PolarHBondContact O-N 3.22Å; L461-L464 PolarHBondContact O-N 2.97Å; L461-L465 WeakPolarHBondContact O-CB 3.13Å; L461-L465 VanDerWaalsContact O-CG 3.23Å; L461-L465 WeakPolarHBondContact O-CG 3.35Å; L461-L465 PolarHBondContact O-N 3.02Å
462C91.5Very high90.7Very high1 Ų155.2 Ų55.21%0.00726%0.256CS..Hα-helixtrans-59.9-45.5175.2-69.20000110.8L450 H458 V459 L465 I466L450-C462 HydrophobicContact CD1-CB 4.29Å; H458-C462 PolarHBondContact O-N 3.22Å; H458-C462 PolarHBondContact O-SG 2.81Å; V459-C462 PolarHBondContact O-N 3.16Å; C462-L465 PolarHBondContact O-N 2.86Å; C462-I466 WeakPolarHBondContact O-CB 3.47Å; C462-I466 WeakPolarHBondContact O-CD1 3.37Å; C462-I466 WeakPolarHBondContact O-CG1 3.39Å; C462-I466 PolarHBondContact O-N 3.34Å
463D91.4Very high90.4Very high19 Ų1959.1 Ų59.110%0.10228%0.277CS..Hα-helixtrans-64.1-44175.9-159.3-12.8000110.9V459 E460 L461 L465 I466 R467 L497 K501V459-D463 PolarHBondContact O-N 3.05Å; E460-D463 PolarHBondContact O-N 3.43Å; L461-D463 VanDerWaalsContact C-N 3.33Å; L461-D463 PolarHBondContact O-N 3.22Å; D463-L465 PolarHBondContact O-N 3.09Å; D463-I466 PolarHBondContact O-N 2.86Å; D463-R467 WeakPolarHBondContact O-CB 3.32Å; D463-R467 VanDerWaalsContact O-CG 3.26Å; D463-R467 WeakPolarHBondContact O-CG 3.48Å; D463-R467 PolarHBondContact O-N 3.02Å; D463-R467 IonicContact OD1-CZ 2.73Å; D463-R467 IonicContact OD1-NE 3.22Å; D463-R467 PolarHBondContact OD1-NE 3.31Å; D463-R467 IonicContact OD1-NH2 3.57Å; D463-R467 PolarHBondContact OD1-NH2 2.68Å; D463-R467 IonicContact OD2-CZ 3.79Å; D463-R467 IonicContact OD2-NE 2.77Å; D463-R467 IonicContact OD2-NH2 3.39Å; D463-R467 PolarHBondContact OD2-NH2 3.4Å; D463-L497 HydrophobicContact CB-CD1 4.4Å; D463-K501 IonicContact OD2-NZ 3.69Å; D463-K501 PolarHBondContact OD2-NZ 3.21Å
464L91.3Very high90.3Very high37 Ų3759.9 Ų59.919%0.19428%0.283CS..Hα-helixtrans-61.7-40.9178.5-137.5171.8000112.5E430 L433 E460 L461 N468E430-L464 HydrophobicContact CG-CD1 4.03Å; L433-L464 HydrophobicContact CD1-CD2 4.27Å; E460-L464 WeakPolarHBondContact O-CB 3.13Å; E460-L464 PolarHBondContact O-N 3.39Å; L461-L464 PolarHBondContact O-N 2.97Å; L464-N468 WeakPolarHBondContact CD2-ND2 3.18Å; L464-N468 PolarHBondContact O-N 2.86Å; L464-N468 VanDerWaalsContact O-N 3.16Å; L464-N468 PolarHBondContact O-ND2 3.38Å
465L91.1Very high90.2Very high0 Ų065.4 Ų65.40%031%0.307CS..Hα-helixtrans-68.9-44.6176.9-73.5169.5000111.6L450 A453 L461 C462 D463 R467 N468 R469 A470L450-L465 HydrophobicContact CD1-CB 4.13Å; L450-L465 HydrophobicContact CD1-CD1 4.32Å; A453-L465 HydrophobicContact CB-CD1 3.96Å; L461-L465 WeakPolarHBondContact O-CB 3.13Å; L461-L465 VanDerWaalsContact O-CG 3.23Å; L461-L465 WeakPolarHBondContact O-CG 3.35Å; L461-L465 PolarHBondContact O-N 3.02Å; C462-L465 PolarHBondContact O-N 2.86Å; D463-L465 PolarHBondContact O-N 3.09Å; L465-R467 VanDerWaalsContact C-N 3.34Å; L465-R467 PolarHBondContact O-N 3.2Å; L465-N468 CarbonylContact O-C 3.36Å; L465-N468 PolarHBondContact O-N 3.45Å; L465-N468 VanDerWaalsContact O-N 3.14Å; L465-R469 PolarHBondContact O-N 3.43Å; L465-A470 HydrophobicContact CB-CB 4.02Å; L465-A470 WeakPolarHBondContact O-CB 3.28Å; L465-A470 PolarHBondContact O-N 3.3Å
466I90.6Very high90.2Very high21 Ų2164.2 Ų64.211%0.10830%0.302CS..Hα-helixtrans-64.7-40.1178.9-64.6164000110.5L450 C462 D463 N468 R469 I472 L497 L498 H502L450-I466 HydrophobicContact CD1-CD1 4.18Å; L450-I466 HydrophobicContact CD1-CG1 3.84Å; L450-I466 HydrophobicContact CD2-CG1 4.34Å; C462-I466 WeakPolarHBondContact O-CB 3.47Å; C462-I466 WeakPolarHBondContact O-CD1 3.37Å; C462-I466 WeakPolarHBondContact O-CG1 3.39Å; C462-I466 PolarHBondContact O-N 3.34Å; D463-I466 PolarHBondContact O-N 2.86Å; I466-N468 VanDerWaalsContact C-N 3.26Å; I466-N468 PolarHBondContact O-N 3.24Å; I466-R469 PolarHBondContact O-N 3.35Å; I466-I472 HydrophobicContact CD1-CG1 4.37Å; I466-I472 HydrophobicContact CG1-CG1 4.29Å; I466-I472 HydrophobicContact CG2-CD1 4.37Å; I466-I472 HydrophobicContact CG2-CG1 4.32Å; I466-L497 HydrophobicContact CD1-CD2 4.2Å; I466-L498 HydrophobicContact CD1-CD2 4.26Å; I466-H502 VanDerWaalsContact CG2-CE1 3.48Å; I466-H502 WeakPolarHBondContact CG2-CE1 3.38Å
467R90.4Very high90.1Very high172 Ų17268 Ų6865%0.64932%0.315SS*.Hα-helixtrans-60.8-33.9172.8-73.2176.2-162178.92.8112.8D463 L465 R469D463-R467 WeakPolarHBondContact O-CB 3.32Å; D463-R467 VanDerWaalsContact O-CG 3.26Å; D463-R467 WeakPolarHBondContact O-CG 3.48Å; D463-R467 PolarHBondContact O-N 3.02Å; D463-R467 IonicContact OD1-CZ 2.73Å; D463-R467 IonicContact OD1-NE 3.22Å; D463-R467 PolarHBondContact OD1-NE 3.31Å; D463-R467 IonicContact OD1-NH2 3.57Å; D463-R467 PolarHBondContact OD1-NH2 2.68Å; D463-R467 IonicContact OD2-CZ 3.79Å; D463-R467 IonicContact OD2-NE 2.77Å; D463-R467 IonicContact OD2-NH2 3.39Å; D463-R467 PolarHBondContact OD2-NH2 3.4Å; L465-R467 VanDerWaalsContact C-N 3.34Å; L465-R467 PolarHBondContact O-N 3.2Å; R467-R469 PolarHBondContact O-N 3.47Å
468N88.2Confident90Very high68 Ų6872 Ų7236%0.36433%0.332SS..THydrogen-bonded Turntrans-86.127.4173.5-71.7-53.1000113.5I439 L464 L465 I466I439-N468 HydrophobicContact CD1-CB 3.68Å; I439-N468 WeakPolarHBondContact CD1-O 3.31Å; L464-N468 WeakPolarHBondContact CD2-ND2 3.18Å; L464-N468 PolarHBondContact O-N 2.86Å; L464-N468 VanDerWaalsContact O-N 3.16Å; L464-N468 PolarHBondContact O-ND2 3.38Å; L465-N468 CarbonylContact O-C 3.36Å; L465-N468 PolarHBondContact O-N 3.45Å; L465-N468 VanDerWaalsContact O-N 3.14Å; I466-N468 VanDerWaalsContact C-N 3.26Å; I466-N468 PolarHBondContact O-N 3.24Å
469R88Confident89.8Confident230 Ų23069.8 Ų69.887%0.86832%0.323SS*.THydrogen-bonded Turntrans6929.5173.6-50-179.3177.9-174.9-1115.4L465 I466 R467L465-R469 PolarHBondContact O-N 3.43Å; I466-R469 PolarHBondContact O-N 3.35Å; R467-R469 PolarHBondContact O-N 3.47Å
470A88.4Confident89.9Confident13 Ų1368.7 Ų68.711%0.10731%0.314CS..  trans-69.4138.317000000112.2I439 L465 I472I439-A470 HydrophobicContact CG2-CB 4.14Å; L465-A470 HydrophobicContact CB-CB 4.02Å; L465-A470 WeakPolarHBondContact O-CB 3.28Å; L465-A470 PolarHBondContact O-N 3.3Å; A470-I472 PolarHBondContact O-N 3.33Å
471F89.3Confident90Very high177 Ų17761.6 Ų61.678%0.77628%0.281SS*.  trans-76.4116.6178.1-86.5-85.7000112.5S474F471-S474 PolarHBondContact O-N 2.91Å; F471-S474 PolarHBondContact O-OG 3.32Å
472I88.8Confident90.1Very high43 Ų4361.6 Ų61.622%0.22128%0.282CS..THydrogen-bonded Turntrans-62.6-44.9-177.1-60.4153.6000112.2I466 A470 S474 P482 L498 H502 A504I466-I472 HydrophobicContact CD1-CG1 4.37Å; I466-I472 HydrophobicContact CG1-CG1 4.29Å; I466-I472 HydrophobicContact CG2-CD1 4.37Å; I466-I472 HydrophobicContact CG2-CG1 4.32Å; A470-I472 PolarHBondContact O-N 3.33Å; I472-S474 VanDerWaalsContact C-N 3.33Å; I472-S474 PolarHBondContact O-N 3.2Å; I472-P482 WeakPolarHBondContact O-CD 3.11Å; I472-P482 WeakPolarHBondContact O-CG 3.22Å; I472-L498 HydrophobicContact CG2-CD2 4.22Å; I472-H502 HydrophobicContact CD1-CB 3.93Å; I472-A504 HydrophobicContact CG2-CB 4.08Å
473N86.5Confident90.2Very high83 Ų8361.8 Ų61.844%0.44428%0.282SS..THydrogen-bonded Turntrans-97.533.6-177.6-69.3-23.4000112.8P505N473-P505 WeakPolarHBondContact ND2-CD 3.24Å
474S90.4Very high90.3Very high16 Ų1660.9 Ų60.911%0.11228%0.278CS..  trans-63.1140.5171.546.10000109.7T448 H451 F471 I472T448-S474 PolarHBondContact OG1-OG 3.39Å; H451-S474 PolarHBondContact CE1-O 3.22Å; H451-S474 PolarHBondContact CE1-OG 2.81Å; H451-S474 PolarHBondContact NE2-O 3.47Å; H451-S474 VanDerWaalsContact NE2-O 3.14Å; F471-S474 PolarHBondContact O-N 2.91Å; F471-S474 PolarHBondContact O-OG 3.32Å; I472-S474 VanDerWaalsContact C-N 3.33Å; I472-S474 PolarHBondContact O-N 3.2Å
475K89.9Confident90.4Very high116 Ų11660.1 Ų60.150%0.50427%0.273SS..  trans-111.6134.6179.6-70.6-169.6178.6-164.20110.1F480 T481K475-F480 WeakPolarHBondContact CA-O 3.48Å; K475-T481 HydrophobicContact CG-CG2 4.12Å
476T92.7Very high90.5Very high14 Ų1460.1 Ų60.19%0.08627%0.273CS..  trans-70.2176.6168.867.60000111.4S445 R447 N478 G479 F480 F485S445-T476 WeakPolarHBondContact O-CB 3.47Å; R447-T476 HydrophobicContact CG-CG2 3.66Å; T476-N478 PolarHBondContact O-N 3.31Å; T476-N478 PolarHBondContact OG1-N 2.99Å; T476-G479 WeakPolarHBondContact O-CA 3.33Å; T476-G479 PolarHBondContact O-N 3.44Å; T476-F480 HydrophobicContact CG2-CB 4.28Å; T476-F480 PolarHBondContact N-O 2.96Å; T476-F480 WeakPolarHBondContact OG1-CB 3.05Å; T476-F480 PolarHBondContact OG1-N 3.34Å; T476-F480 VanDerWaalsContact OG1-N 3.11Å; T476-F485 HydrophobicContact CG2-CE2 3.81Å; T476-F485 HydrophobicContact CG2-CZ 4.26Å
477K89.1Confident90.6Very high144 Ų14459.1 Ų59.163%0.62627%0.267SS*.THydrogen-bonded Turntrans-56.8-29.7172.9-71.5-176.6177.5178.90113.2E444 S445 G479E444-K477 VanDerWaalsContact O-CD 3.29Å; E444-K477 WeakPolarHBondContact O-CD 3.45Å; E444-K477 WeakPolarHBondContact O-CE 3.45Å; E444-K477 PolarHBondContact O-NZ 3.27Å; S445-K477 WeakPolarHBondContact O-CB 3.49Å; S445-K477 WeakPolarHBondContact O-CG 3.36Å; S445-K477 PolarHBondContact O-N 3.04Å; K477-G479 VanDerWaalsContact C-N 3.31Å
478N86.6Confident90.7Very high102 Ų10253.3 Ų53.355%0.54525%0.248SC..THydrogen-bonded Turntrans-91.35.7177.4-645000112.3T476 F480 M511T476-N478 PolarHBondContact O-N 3.31Å; T476-N478 PolarHBondContact OG1-N 2.99Å; N478-F480 VanDerWaalsContact C-N 3.3Å; N478-F480 HydrophobicContact CB-CD2 3.59Å; N478-F480 HydrophobicContact CB-CE2 3.78Å; N478-F480 PolarHBondContact O-N 3.43Å; N478-M511 WeakPolarHBondContact O-CB 3.45Å; N478-M511 VanDerWaalsContact O-CG 3.29Å; N478-M511 WeakPolarHBondContact O-CG 3.33Å; N478-M511 PolarHBondContact O-N 3.47Å
479G89.8Confident90.9Very high5 Ų554.5 Ų54.55%0.05225%0.252CS..  trans78.36.3179.700000115.1T476 K477T476-G479 WeakPolarHBondContact O-CA 3.33Å; T476-G479 PolarHBondContact O-N 3.44Å; K477-G479 VanDerWaalsContact C-N 3.31Å
480F92.2Very high91Very high31 Ų3144.7 Ų44.714%0.13622%0.223CC..  trans-68.8141.6177.1-73.7-108000109.8H451 K475 T476 N478 H484 F485 N510 V519H451-F480 PolarHBondContact NE2-O 3.45Å; H451-F480 VanDerWaalsContact NE2-O 3.15Å; K475-F480 WeakPolarHBondContact CA-O 3.48Å; T476-F480 HydrophobicContact CG2-CB 4.28Å; T476-F480 PolarHBondContact N-O 2.96Å; T476-F480 WeakPolarHBondContact OG1-CB 3.05Å; T476-F480 PolarHBondContact OG1-N 3.34Å; T476-F480 VanDerWaalsContact OG1-N 3.11Å; N478-F480 VanDerWaalsContact C-N 3.3Å; N478-F480 HydrophobicContact CB-CD2 3.59Å; N478-F480 HydrophobicContact CB-CE2 3.78Å; N478-F480 PolarHBondContact O-N 3.43Å; F480-H484 HydrophobicContact CB-CB 4.26Å; F480-H484 HydrophobicContact CD1-CB 3.58Å; F480-H484 HydrophobicContact CE1-CB 4.4Å; F480-H484 HydrophobicContact CG-CB 4.34Å; F480-F485 HydrophobicContact CB-CD2 4.22Å; F480-F485 HydrophobicContact CB-CE2 3.57Å; F480-F485 HydrophobicContact CB-CZ 4.14Å; F480-F485 HydrophobicContact CG-CE2 4.36Å; F480-N510 HydrophobicContact CD2-CB 4.11Å; F480-N510 HydrophobicContact CE2-CB 4.22Å; F480-N510 VanDerWaalsContact CE2-ND2 3.3Å; F480-N510 WeakPolarHBondContact CE2-ND2 3.26Å; F480-N510 HydrophobicContact CG-CB 4.46Å; F480-N510 WeakPolarHBondContact CZ-ND2 3.48Å; F480-V519 HydrophobicContact CE1-CG2 4.05Å
481T92.5Very high91.2Very high1 Ų146.6 Ų46.61%0.00623%0.229CC..  trans-104.8167.2172.161.90000110.4K475 L483 H484 F485 V508K475-T481 HydrophobicContact CG-CG2 4.12Å; T481-L483 PolarHBondContact O-N 3.32Å; T481-L483 VanDerWaalsContact O-N 3.13Å; T481-H484 PolarHBondContact N-ND1 3.39Å; T481-H484 WeakPolarHBondContact O-CB 3.08Å; T481-H484 PolarHBondContact O-N 2.63Å; T481-H484 PolarHBondContact OG1-ND1 3.05Å; T481-F485 WeakPolarHBondContact O-CD2 3.36Å; T481-F485 PolarHBondContact O-N 3.09Å; T481-V508 HydrophobicContact CG2-CB 4.46Å; T481-V508 HydrophobicContact CG2-CG1 3.69Å
482P92.7Very high91.3Very high1 Ų142.6 Ų42.61%0.00621%0.211CC..Hα-helixtrans-55.7-31.4174.7-25.335.3000112.8L450 H451 A454 I472 F485 A486 L498L450-P482 HydrophobicContact CB-CG 4.44Å; L450-P482 HydrophobicContact CD2-CB 4.38Å; L450-P482 HydrophobicContact CD2-CG 3.87Å; L450-P482 HydrophobicContact CG-CB 4.31Å; L450-P482 HydrophobicContact CG-CG 4.09Å; H451-P482 WeakPolarHBondContact NE2-CD 3.1Å; A454-P482 HydrophobicContact CB-CB 3.86Å; I472-P482 WeakPolarHBondContact O-CD 3.11Å; I472-P482 WeakPolarHBondContact O-CG 3.22Å; P482-F485 PolarHBondContact O-N 3.26Å; P482-A486 WeakPolarHBondContact O-CB 3.26Å; P482-A486 PolarHBondContact O-N 2.89Å; P482-L498 HydrophobicContact CB-CD1 4.22Å
483L93.5Very high91.5Very high5 Ų543 Ų433%0.02622%0.221CC..Hα-helixtrans-64.4-37.9174.9-172.466.1000112.5T481 A487 V495 L498 T499 P505 P516T481-L483 PolarHBondContact O-N 3.32Å; T481-L483 VanDerWaalsContact O-N 3.13Å; L483-A487 VanDerWaalsContact O-CB 3.22Å; L483-A487 WeakPolarHBondContact O-CB 3.49Å; L483-A487 PolarHBondContact O-N 3.47Å; L483-V495 HydrophobicContact CD1-CB 4.44Å; L483-V495 HydrophobicContact CD1-CG1 4.02Å; L483-V495 HydrophobicContact CD1-CG2 4.34Å; L483-L498 HydrophobicContact CD1-CB 4.37Å; L483-L498 HydrophobicContact CD1-CD1 4.43Å; L483-T499 HydrophobicContact CD1-CG2 3.93Å; L483-T499 HydrophobicContact CD2-CG2 4.39Å; L483-P505 VanDerWaalsContact CD2-O 3.23Å; L483-P505 WeakPolarHBondContact CD2-O 3.3Å; L483-P516 HydrophobicContact CD2-CG 3.99Å; L483-P516 HydrophobicContact CG-CB 4.45Å; L483-P516 HydrophobicContact CG-CG 4.21Å
484H94Very high91.8Very high0 Ų039.1 Ų39.10%020%0.2CC..Hα-helixtrans-64.5-43.5176.1-7188.4000111.7F480 T481 A487 M488 V508 Q514F480-H484 HydrophobicContact CB-CB 4.26Å; F480-H484 HydrophobicContact CD1-CB 3.58Å; F480-H484 HydrophobicContact CE1-CB 4.4Å; F480-H484 HydrophobicContact CG-CB 4.34Å; T481-H484 PolarHBondContact N-ND1 3.39Å; T481-H484 WeakPolarHBondContact O-CB 3.08Å; T481-H484 PolarHBondContact O-N 2.63Å; T481-H484 PolarHBondContact OG1-ND1 3.05Å; H484-A487 PolarHBondContact O-N 2.83Å; H484-M488 WeakPolarHBondContact O-CB 3.09Å; H484-M488 PolarHBondContact O-N 3.45Å; H484-V508 PolarHBondContact CE1-O 3.47Å; H484-V508 PolarHBondContact NE2-O 3.15Å; H484-V508 VanDerWaalsContact NE2-O 3.08Å; H484-Q514 PolarHBondContact NE2-O 3.04Å
485F93Very high91.8Very high20 Ų2038.4 Ų38.49%0.08820%0.195CC..Hα-helixtrans-66-43.6177.5-74.9-80.3000112R447 H451 E455 T476 F480 T481 P482 A487 M488 E489R447-F485 HydrophobicContact CG-CZ 4.4Å; H451-F485 HydrophobicContact CB-CD2 4.49Å; H451-F485 AromaticContact CD2-CD2 3.67Å; H451-F485 AromaticContact CD2-CE2 3.61Å; E455-F485 HydrophobicContact CB-CB 4.12Å; E455-F485 HydrophobicContact CB-CD1 4.15Å; E455-F485 HydrophobicContact CB-CG 4.37Å; E455-F485 HydrophobicContact CG-CD1 3.95Å; T476-F485 HydrophobicContact CG2-CE2 3.81Å; T476-F485 HydrophobicContact CG2-CZ 4.26Å; F480-F485 HydrophobicContact CB-CD2 4.22Å; F480-F485 HydrophobicContact CB-CE2 3.57Å; F480-F485 HydrophobicContact CB-CZ 4.14Å; F480-F485 HydrophobicContact CG-CE2 4.36Å; T481-F485 WeakPolarHBondContact O-CD2 3.36Å; T481-F485 PolarHBondContact O-N 3.09Å; P482-F485 PolarHBondContact O-N 3.26Å; F485-A487 VanDerWaalsContact C-N 3.26Å; F485-A487 PolarHBondContact O-N 2.92Å; F485-M488 HydrophobicContact CD1-CE 3.75Å; F485-M488 HydrophobicContact CE1-CE 4.17Å; F485-M488 WeakPolarHBondContact O-CB 3.14Å; F485-M488 PolarHBondContact O-N 3.19Å; F485-E489 PolarHBondContact O-N 3.44Å
486A93.5Very high92Very high0 Ų035.8 Ų35.80%019%0.185CC..Hα-helixtrans-61.5-36.2175.100000112P482 G490 H491 V494 V495 I528P482-A486 WeakPolarHBondContact O-CB 3.26Å; P482-A486 PolarHBondContact O-N 2.89Å; A486-G490 PolarHBondContact O-N 3.28Å; A486-H491 PolarHBondContact O-N 3.38Å; A486-V494 HydrophobicContact CB-CB 4.16Å; A486-V494 HydrophobicContact CB-CG1 3.84Å; A486-V495 HydrophobicContact CB-CG2 3.7Å; A486-I528 WeakPolarHBondContact O-CD1 3.44Å
487A93.3Very high91.9Very high0 Ų036 Ų360%019%0.186CC..Hα-helixtrans-71.5-35.6176.300000113.5L483 H484 F485 P516 A520 I528L483-A487 VanDerWaalsContact O-CB 3.22Å; L483-A487 WeakPolarHBondContact O-CB 3.49Å; L483-A487 PolarHBondContact O-N 3.47Å; H484-A487 PolarHBondContact O-N 2.83Å; F485-A487 VanDerWaalsContact C-N 3.26Å; F485-A487 PolarHBondContact O-N 2.92Å; A487-P516 HydrophobicContact CB-CB 4Å; A487-A520 HydrophobicContact CB-CB 4.38Å; A487-I528 HydrophobicContact CB-CG2 4.02Å
488M92.8Very high92Very high50 Ų5029.2 Ų29.225%0.24616%0.156CC..Hα-helixtrans-66.1-49176.6-168.9171.171.700111.9H484 F485 G490 V519 A523 Q525H484-M488 WeakPolarHBondContact O-CB 3.09Å; H484-M488 PolarHBondContact O-N 3.45Å; F485-M488 HydrophobicContact CD1-CE 3.75Å; F485-M488 HydrophobicContact CE1-CE 4.17Å; F485-M488 WeakPolarHBondContact O-CB 3.14Å; F485-M488 PolarHBondContact O-N 3.19Å; M488-G490 PolarHBondContact O-N 3.48Å; M488-V519 HydrophobicContact CB-CG1 3.5Å; M488-V519 HydrophobicContact CG-CG1 3.62Å; M488-V519 HydrophobicContact SD-CG1 3.96Å; M488-A523 HydrophobicContact CG-CB 4.3Å; M488-A523 WeakPolarHBondContact O-CB 3.36Å; M488-Q525 WeakPolarHBondContact O-CG 3.26Å; M488-Q525 PolarHBondContact O-NE2 3.31Å; M488-Q525 VanDerWaalsContact O-NE2 3.14Å
489E91.4Very high92.1Very high93 Ų9325.1 Ų25.144%0.43514%0.135SC..Hα-helixtrans-85.7-6-172.2-65.5-61.4140.200113.7E455 F485 H491E455-E489 HydrophobicContact CG-CG 4.37Å; E455-E489 WeakPolarHBondContact O-CB 3.33Å; E455-E489 WeakPolarHBondContact O-CG 3.39Å; F485-E489 PolarHBondContact O-N 3.44Å; E489-H491 WeakPolarHBondContact CB-NE2 3.31Å
490G91Very high92Very high25 Ų2529.9 Ų29.926%0.25816%0.158SC..THydrogen-bonded Turntrans89.214.8174.800000114.9A486 M488 K492 I528A486-G490 PolarHBondContact O-N 3.28Å; M488-G490 PolarHBondContact O-N 3.48Å; G490-K492 PolarHBondContact O-N 3.49Å; G490-I528 VanDerWaalsContact C-CD1 3.42Å
491H93.1Very high91.9Very high53 Ų5334.4 Ų34.425%0.24518%0.178CC..  trans-81.274.9-175.4-61.6-50.6000113.2A454 E455 G457 A486 E489 A493 V494 V495A454-H491 PolarHBondContact O-CD2 3.4Å; A454-H491 VanDerWaalsContact O-CD2 3.32Å; E455-H491 PolarHBondContact O-CD2 3.38Å; E455-H491 VanDerWaalsContact O-CD2 3.25Å; E455-H491 PolarHBondContact O-NE2 2.76Å; G457-H491 VanDerWaalsContact CA-CD2 3.42Å; G457-H491 WeakPolarHBondContact CA-CD2 3.28Å; G457-H491 PolarHBondContact N-CD2 3.27Å; G457-H491 PolarHBondContact N-NE2 2.96Å; A486-H491 PolarHBondContact O-N 3.38Å; E489-H491 WeakPolarHBondContact CB-NE2 3.31Å; H491-A493 VanDerWaalsContact C-N 3.28Å; H491-A493 PolarHBondContact O-N 3.06Å; H491-V494 HydrophobicContact CB-CB 4.04Å; H491-V494 HydrophobicContact CB-CG2 4.07Å; H491-V494 PolarHBondContact O-N 2.89Å; H491-V495 PolarHBondContact O-N 3.32Å
492K91.1Very high91.6Very high92 Ų9236.6 Ų36.640%0.419%0.188SC..Hα-helixtrans-51.5-43-179.3-168-173-176-124.10113.3G490 V494 V495 E496G490-K492 PolarHBondContact O-N 3.49Å; K492-V494 VanDerWaalsContact C-N 3.34Å; K492-V494 PolarHBondContact O-N 3.48Å; K492-V495 PolarHBondContact O-N 3.15Å; K492-E496 WeakPolarHBondContact CE-OE1 3.44Å; K492-E496 HydrophobicContact CG-CG 4.43Å; K492-E496 IonicContact NZ-OE1 3.28Å; K492-E496 PolarHBondContact NZ-OE1 3.36Å; K492-E496 WeakPolarHBondContact O-CB 3.4Å; K492-E496 WeakPolarHBondContact O-CG 3.41Å; K492-E496 PolarHBondContact O-N 3.46Å
493A91.9Very high91.4Very high52 Ų5242.9 Ų42.943%0.4322%0.222SC..Hα-helixtrans-65-34.9-179.400000113.1V459 H491 L497V459-A493 HydrophobicContact CG2-CB 3.87Å; H491-A493 VanDerWaalsContact C-N 3.28Å; H491-A493 PolarHBondContact O-N 3.06Å; A493-L497 WeakPolarHBondContact O-CB 3.47Å; A493-L497 PolarHBondContact O-N 3.06Å
494V92.7Very high91.1Very high1 Ų143 Ų431%0.00622%0.224CC..Hα-helixtrans-73.5-41.1175.1177.70000110.3A454 V459 A486 H491 K492 L497 L498A454-V494 HydrophobicContact CB-CG1 4.11Å; V459-V494 HydrophobicContact CG2-CG2 3.87Å; A486-V494 HydrophobicContact CB-CB 4.16Å; A486-V494 HydrophobicContact CB-CG1 3.84Å; H491-V494 HydrophobicContact CB-CB 4.04Å; H491-V494 HydrophobicContact CB-CG2 4.07Å; H491-V494 PolarHBondContact O-N 2.89Å; K492-V494 VanDerWaalsContact C-N 3.34Å; K492-V494 PolarHBondContact O-N 3.48Å; V494-L497 PolarHBondContact O-N 3.01Å; V494-L498 HydrophobicContact CG1-CD1 3.86Å; V494-L498 HydrophobicContact CG1-CG 4.25Å; V494-L498 WeakPolarHBondContact O-CB 3.24Å; V494-L498 VanDerWaalsContact O-CG 3.3Å; V494-L498 WeakPolarHBondContact O-CG 3.43Å; V494-L498 PolarHBondContact O-N 3.25Å
495V91.9Very high90.8Very high1 Ų145.9 Ų45.91%0.00624%0.242CC..Hα-helixtrans-58.1-49.3173.8174.20000110.4L483 A486 H491 K492 L497 L498 T499 I528 F531L483-V495 HydrophobicContact CD1-CB 4.44Å; L483-V495 HydrophobicContact CD1-CG1 4.02Å; L483-V495 HydrophobicContact CD1-CG2 4.34Å; A486-V495 HydrophobicContact CB-CG2 3.7Å; H491-V495 PolarHBondContact O-N 3.32Å; K492-V495 PolarHBondContact O-N 3.15Å; V495-L497 PolarHBondContact O-N 2.71Å; V495-L498 PolarHBondContact O-N 2.81Å; V495-T499 HydrophobicContact CG1-CG2 4.41Å; V495-T499 WeakPolarHBondContact O-CG2 3.47Å; V495-T499 PolarHBondContact O-N 3.04Å; V495-T499 PolarHBondContact O-OG1 3.43Å; V495-I528 HydrophobicContact CG2-CD1 4.1Å; V495-F531 HydrophobicContact CG1-CD1 3.89Å; V495-F531 HydrophobicContact CG1-CE1 3.87Å
496E93Very high90.5Very high61 Ų6146.4 Ų46.429%0.28525%0.247SC..Hα-helixtrans-59.2-44.4175.7-76174.3-179.600112.1K492 L500 F531K492-E496 WeakPolarHBondContact CE-OE1 3.44Å; K492-E496 HydrophobicContact CG-CG 4.43Å; K492-E496 IonicContact NZ-OE1 3.28Å; K492-E496 PolarHBondContact NZ-OE1 3.36Å; K492-E496 WeakPolarHBondContact O-CB 3.4Å; K492-E496 WeakPolarHBondContact O-CG 3.41Å; K492-E496 PolarHBondContact O-N 3.46Å; E496-L500 HydrophobicContact CB-CD1 4.18Å; E496-L500 HydrophobicContact CG-CD1 4.33Å; E496-L500 WeakPolarHBondContact O-CA 3.47Å; E496-L500 WeakPolarHBondContact O-CB 3.37Å; E496-L500 PolarHBondContact O-N 3.47Å; E496-F531 HydrophobicContact CG-CE1 4.39Å; E496-F531 HydrophobicContact CG-CE2 3.98Å; E496-F531 HydrophobicContact CG-CZ 3.8Å
497L91.4Very high90.3Very high19 Ų1950.2 Ų50.210%0.09927%0.267CS..Iπ-helixtrans-61.2-45.6177-176.5155.1000111.5V459 D463 I466 A493 V494 V495 K501 H502V459-L497 HydrophobicContact CG1-CD1 3.65Å; D463-L497 HydrophobicContact CB-CD1 4.4Å; I466-L497 HydrophobicContact CD1-CD2 4.2Å; A493-L497 WeakPolarHBondContact O-CB 3.47Å; A493-L497 PolarHBondContact O-N 3.06Å; V494-L497 PolarHBondContact O-N 3.01Å; V495-L497 PolarHBondContact O-N 2.71Å; L497-K501 HydrophobicContact CG-CD 4.49Å; L497-K501 VanDerWaalsContact O-CB 3.23Å; L497-K501 WeakPolarHBondContact O-CB 3.21Å; L497-K501 PolarHBondContact O-N 3.4Å; L497-K501 VanDerWaalsContact O-N 3.17Å; L497-H502 VanDerWaalsContact CD2-CD2 3.43Å; L497-H502 WeakPolarHBondContact CD2-CD2 3.35Å; L497-H502 PolarHBondContact O-N 3.01Å
498L90Very high90.1Very high1 Ų151.1 Ų51.11%0.00527%0.273CS..Iπ-helixtrans-68.7-44.1-178.9-70172.5000111.7I466 I472 P482 L483 V494 V495 H502 N503 A504I466-L498 HydrophobicContact CD1-CD2 4.26Å; I472-L498 HydrophobicContact CG2-CD2 4.22Å; P482-L498 HydrophobicContact CB-CD1 4.22Å; L483-L498 HydrophobicContact CD1-CB 4.37Å; L483-L498 HydrophobicContact CD1-CD1 4.43Å; V494-L498 HydrophobicContact CG1-CD1 3.86Å; V494-L498 HydrophobicContact CG1-CG 4.25Å; V494-L498 WeakPolarHBondContact O-CB 3.24Å; V494-L498 VanDerWaalsContact O-CG 3.3Å; V494-L498 WeakPolarHBondContact O-CG 3.43Å; V494-L498 PolarHBondContact O-N 3.25Å; V495-L498 PolarHBondContact O-N 2.81Å; L498-H502 CarbonylContact O-C 3.51Å; L498-N503 PolarHBondContact O-N 3.23Å; L498-A504 HydrophobicContact CB-CB 4.13Å; L498-A504 VanDerWaalsContact O-CB 3.25Å; L498-A504 WeakPolarHBondContact O-CB 3.23Å; L498-A504 PolarHBondContact O-N 3.42Å
499T88.9Confident90Very high16 Ų1652.7 Ų52.710%0.09828%0.281CS..Iπ-helixtrans-80.2-43.7-176.858.20000113.2L483 V495 V506L483-T499 HydrophobicContact CD1-CG2 3.93Å; L483-T499 HydrophobicContact CD2-CG2 4.39Å; V495-T499 HydrophobicContact CG1-CG2 4.41Å; V495-T499 WeakPolarHBondContact O-CG2 3.47Å; V495-T499 PolarHBondContact O-N 3.04Å; V495-T499 PolarHBondContact O-OG1 3.43Å; T499-V506 HydrophobicContact CG2-CG2 4.48Å
500L89.1Confident90.1Very high105 Ų10548.5 Ų48.555%0.5526%0.262SS..Iπ-helixtrans-88-40.2-174-61.9168.7000113.4E496E496-L500 HydrophobicContact CB-CD1 4.18Å; E496-L500 HydrophobicContact CG-CD1 4.33Å; E496-L500 WeakPolarHBondContact O-CA 3.47Å; E496-L500 WeakPolarHBondContact O-CB 3.37Å; E496-L500 PolarHBondContact O-N 3.47Å
501K88.4Confident89.9Confident126 Ų12654.1 Ų54.155%0.54828%0.283SS..Iπ-helixtrans-92.5-35-172-155.4-175.3-178.1-173.50112.6D463 L497D463-K501 IonicContact OD2-NZ 3.69Å; D463-K501 PolarHBondContact OD2-NZ 3.21Å; L497-K501 HydrophobicContact CG-CD 4.49Å; L497-K501 VanDerWaalsContact O-CB 3.23Å; L497-K501 WeakPolarHBondContact O-CB 3.21Å; L497-K501 PolarHBondContact O-N 3.4Å; L497-K501 VanDerWaalsContact O-N 3.17Å
502H87.5Confident89.6Confident48 Ų4855.6 Ų55.622%0.22229%0.29CS..SBendtrans-1168.5-176.5-65.5-74.2000114.3I466 I472 L497 L498 A504I466-H502 VanDerWaalsContact CG2-CE1 3.48Å; I466-H502 WeakPolarHBondContact CG2-CE1 3.38Å; I472-H502 HydrophobicContact CD1-CB 3.93Å; L497-H502 VanDerWaalsContact CD2-CD2 3.43Å; L497-H502 WeakPolarHBondContact CD2-CD2 3.35Å; L497-H502 PolarHBondContact O-N 3.01Å; L498-H502 CarbonylContact O-C 3.51Å; H502-A504 PolarHBondContact O-N 2.98Å
503N87.1Confident89.5Confident133 Ų13354.7 Ų54.771%0.71129%0.29SS*.  trans51.945.7174.7-70.4-10.1000114.9L498L498-N503 PolarHBondContact O-N 3.23Å
504A87.2Confident89.4Confident8 Ų852.4 Ų52.47%0.06627%0.27CS..  trans-69.2134.8172.300000111.4I472 L498 H502I472-A504 HydrophobicContact CG2-CB 4.08Å; L498-A504 HydrophobicContact CB-CB 4.13Å; L498-A504 VanDerWaalsContact O-CB 3.25Å; L498-A504 WeakPolarHBondContact O-CB 3.23Å; L498-A504 PolarHBondContact O-N 3.42Å; H502-A504 PolarHBondContact O-N 2.98Å
505P89.4Confident89.4Confident59 Ų5952.6 Ų52.638%0.38327%0.271SS..  trans-62.8140.3176.921.2-28.7000112.1N473 L483 V508N473-P505 WeakPolarHBondContact ND2-CD 3.24Å; L483-P505 VanDerWaalsContact CD2-O 3.23Å; L483-P505 WeakPolarHBondContact CD2-O 3.3Å; P505-V508 HydrophobicContact CB-CG2 3.89Å; P505-V508 HydrophobicContact CG-CG2 3.57Å; P505-V508 VanDerWaalsContact O-CG2 3.3Å; P505-V508 WeakPolarHBondContact O-CG2 3.42Å
506V86.2Confident89.4Confident31 Ų3152.6 Ų52.619%0.18827%0.271CS..SBendtrans-82.1-42.3-173.6-1790000112.1T499 V508 P516 L532 Q535 A537T499-V506 HydrophobicContact CG2-CG2 4.48Å; V506-V508 PolarHBondContact O-N 2.92Å; V506-P516 VanDerWaalsContact O-CD 3.26Å; V506-P516 WeakPolarHBondContact O-CD 3.27Å; V506-P516 VanDerWaalsContact O-CG 3.32Å; V506-P516 WeakPolarHBondContact O-CG 3.43Å; V506-L532 HydrophobicContact CG1-CD2 4Å; V506-Q535 HydrophobicContact CG2-CB 4.47Å; V506-A537 HydrophobicContact CG1-CB 3.91Å
507D88.5Confident89.4Confident80 Ų8049.8 Ų49.843%0.42826%0.258SS..SBendtrans-96.652.1-176.1-61.7-45.6000112.5A537 D538D507-A537 WeakPolarHBondContact OD1-CA 3.3Å; D507-D538 PolarHBondContact OD1-N 2.79Å
508V90.3Very high89.4Confident19 Ų1948.9 Ų48.912%0.11525%0.253CS..  trans-79134175.5-170.60000109.8T481 H484 P505 V506 T515 P516T481-V508 HydrophobicContact CG2-CB 4.46Å; T481-V508 HydrophobicContact CG2-CG1 3.69Å; H484-V508 PolarHBondContact CE1-O 3.47Å; H484-V508 PolarHBondContact NE2-O 3.15Å; H484-V508 VanDerWaalsContact NE2-O 3.08Å; P505-V508 HydrophobicContact CB-CG2 3.89Å; P505-V508 HydrophobicContact CG-CG2 3.57Å; P505-V508 VanDerWaalsContact O-CG2 3.3Å; P505-V508 WeakPolarHBondContact O-CG2 3.42Å; V506-V508 PolarHBondContact O-N 2.92Å; V508-T515 WeakPolarHBondContact O-CA 3.5Å; V508-P516 WeakPolarHBondContact O-CD 3.45Å
509I90.9Very high89.5Confident84 Ų8449 Ų4943%0.43125%0.254SS..  trans-96.8135.9176.255.4173.2000112Q514 T515I509-Q514 WeakPolarHBondContact CA-O 3.48Å; I509-T515 HydrophobicContact CG2-CG2 4.38Å
510N91.6Very high89.7Confident5 Ų548.2 Ų48.23%0.02725%0.249CC..  trans-83.4-174.9164.476.51.3000111F480 E512 N513 Q514F480-N510 HydrophobicContact CD2-CB 4.11Å; F480-N510 HydrophobicContact CE2-CB 4.22Å; F480-N510 VanDerWaalsContact CE2-ND2 3.3Å; F480-N510 WeakPolarHBondContact CE2-ND2 3.26Å; F480-N510 HydrophobicContact CG-CB 4.46Å; F480-N510 WeakPolarHBondContact CZ-ND2 3.48Å; N510-E512 PolarHBondContact O-N 3.29Å; N510-E512 WeakPolarHBondContact OD1-CA 3.47Å; N510-E512 PolarHBondContact OD1-N 3.05Å; N510-N513 PolarHBondContact O-N 2.9Å; N510-N513 VanDerWaalsContact O-N 3.08Å; N510-N513 PolarHBondContact OD1-N 3.45Å; N510-Q514 PolarHBondContact N-O 3.27Å; N510-Q514 PolarHBondContact ND2-OE1 3.36Å; N510-Q514 WeakPolarHBondContact OD1-CB 3.38Å; N510-Q514 PolarHBondContact OD1-N 2.83Å
511M88.4Confident89.7Confident142 Ų14243.2 Ų43.270%0.722%0.223SC*.THydrogen-bonded Turntrans-69.8-16.9-179.7-65.4-70-95.800113.8N478 N513N478-M511 WeakPolarHBondContact O-CB 3.45Å; N478-M511 VanDerWaalsContact O-CG 3.29Å; N478-M511 WeakPolarHBondContact O-CG 3.33Å; N478-M511 PolarHBondContact O-N 3.47Å; M511-N513 VanDerWaalsContact C-N 3.28Å
512E86.6Confident89.8Confident84 Ų8440.8 Ų40.839%0.39321%0.214SC..THydrogen-bonded Turntrans-90.811.3172-64-174.1177.700112.1N510 Q514 D543 V544N510-E512 PolarHBondContact O-N 3.29Å; N510-E512 WeakPolarHBondContact OD1-CA 3.47Å; N510-E512 PolarHBondContact OD1-N 3.05Å; E512-Q514 HydrophobicContact CB-CG 4.03Å; E512-Q514 PolarHBondContact O-N 3.08Å; E512-Q514 VanDerWaalsContact O-N 3.16Å; E512-Q514 VanDerWaalsContact OE2-CD 3.31Å; E512-Q514 PolarHBondContact OE2-NE2 2.9Å; E512-Q514 PolarHBondContact OE2-OE1 3.48Å; E512-D543 CarbonylContact O-C 3.58Å; E512-D543 WeakPolarHBondContact O-CA 3.27Å; E512-D543 WeakPolarHBondContact O-CB 3.45Å; E512-V544 VanDerWaalsContact C-CG2 3.46Å; E512-V544 WeakPolarHBondContact O-CG2 3.44Å; E512-V544 PolarHBondContact O-N 2.89Å
513N88.9Confident89.9Confident73 Ų7340.5 Ų40.539%0.3922%0.22SC..  trans55.523.3-172-65.6-20.9000113.7N510 M511 V544N510-N513 PolarHBondContact O-N 2.9Å; N510-N513 VanDerWaalsContact O-N 3.08Å; N510-N513 PolarHBondContact OD1-N 3.45Å; M511-N513 VanDerWaalsContact C-N 3.28Å; N513-V544 HydrophobicContact CB-CG2 4.23Å
514Q89.9Confident90Very high4 Ų435.3 Ų35.32%0.01920%0.198CC..  trans-81.7136.8174.2-66.4164.6-11.300109.7H484 I509 N510 E512 H518 V519 D543H484-Q514 PolarHBondContact NE2-O 3.04Å; I509-Q514 WeakPolarHBondContact CA-O 3.48Å; N510-Q514 PolarHBondContact N-O 3.27Å; N510-Q514 PolarHBondContact ND2-OE1 3.36Å; N510-Q514 WeakPolarHBondContact OD1-CB 3.38Å; N510-Q514 PolarHBondContact OD1-N 2.83Å; E512-Q514 HydrophobicContact CB-CG 4.03Å; E512-Q514 PolarHBondContact O-N 3.08Å; E512-Q514 VanDerWaalsContact O-N 3.16Å; E512-Q514 VanDerWaalsContact OE2-CD 3.31Å; E512-Q514 PolarHBondContact OE2-NE2 2.9Å; E512-Q514 PolarHBondContact OE2-OE1 3.48Å; Q514-H518 HydrophobicContact CB-CB 3.78Å; Q514-H518 HydrophobicContact CG-CB 3.99Å; Q514-V519 HydrophobicContact CB-CG2 4.4Å; Q514-D543 HydrophobicContact CG-CB 3.86Å
515T92.1Very high90.1Very high6 Ų637.5 Ų37.54%0.03721%0.207CC..  trans-86.8166.3168.260.10000110.2V508 I509 L517 H518 V519 A541V508-T515 WeakPolarHBondContact O-CA 3.5Å; I509-T515 HydrophobicContact CG2-CG2 4.38Å; T515-L517 PolarHBondContact O-N 3.25Å; T515-H518 PolarHBondContact N-ND1 3.43Å; T515-H518 WeakPolarHBondContact O-CB 3.48Å; T515-H518 PolarHBondContact O-N 3.08Å; T515-H518 PolarHBondContact OG1-ND1 2.85Å; T515-V519 PolarHBondContact O-N 3.19Å; T515-A541 HydrophobicContact CG2-CB 4.14Å
516P92.4Very high90.1Very high1 Ų138.6 Ų38.61%0.00621%0.208CC..Hα-helixtrans-56.9-26.3173.5-23.635.1000112.4L483 A487 V506 V508 A520 L532L483-P516 HydrophobicContact CD2-CG 3.99Å; L483-P516 HydrophobicContact CG-CB 4.45Å; L483-P516 HydrophobicContact CG-CG 4.21Å; A487-P516 HydrophobicContact CB-CB 4Å; V506-P516 VanDerWaalsContact O-CD 3.26Å; V506-P516 WeakPolarHBondContact O-CD 3.27Å; V506-P516 VanDerWaalsContact O-CG 3.32Å; V506-P516 WeakPolarHBondContact O-CG 3.43Å; V508-P516 WeakPolarHBondContact O-CD 3.45Å; P516-A520 VanDerWaalsContact O-CB 3.3Å; P516-A520 WeakPolarHBondContact O-CB 3.47Å; P516-A520 PolarHBondContact O-N 3.43Å; P516-L532 HydrophobicContact CB-CD1 4.07Å
517L92.2Very high90.3Very high1 Ų140 Ų401%0.00522%0.222CC..Hα-helixtrans-68-38.3174.8-171.267.7000112.8T515 A521 C529 L532 L533 A537 A539 P549 F565T515-L517 PolarHBondContact O-N 3.25Å; L517-A521 VanDerWaalsContact O-CB 3.27Å; L517-A521 WeakPolarHBondContact O-CB 3.35Å; L517-A521 PolarHBondContact O-N 3.41Å; L517-C529 HydrophobicContact CD1-CB 4.31Å; L517-L532 HydrophobicContact CB-CD1 4.38Å; L517-L532 HydrophobicContact CD1-CB 4.04Å; L517-L532 HydrophobicContact CD1-CD1 4.34Å; L517-L533 HydrophobicContact CD1-CG 4.18Å; L517-L533 HydrophobicContact CD2-CD2 4.04Å; L517-A537 HydrophobicContact CD2-CB 4.24Å; L517-A539 HydrophobicContact CD2-CB 4.4Å; L517-P549 HydrophobicContact CD2-CG 4.1Å; L517-P549 HydrophobicContact CG-CB 4.35Å; L517-P549 HydrophobicContact CG-CG 4.21Å; L517-F565 HydrophobicContact CD1-CZ 4.39Å; L517-F565 HydrophobicContact CD2-CE1 4.33Å; L517-F565 HydrophobicContact CG-CZ 4.41Å
518H91.7Very high90.5Very high0 Ų036.3 Ų36.30%020%0.203CC..Hα-helixtrans-61.3-47.2174.2-77.785.2000111.1Q514 T515 A521 Q522 A541 R547 L552Q514-H518 HydrophobicContact CB-CB 3.78Å; Q514-H518 HydrophobicContact CG-CB 3.99Å; T515-H518 PolarHBondContact N-ND1 3.43Å; T515-H518 WeakPolarHBondContact O-CB 3.48Å; T515-H518 PolarHBondContact O-N 3.08Å; T515-H518 PolarHBondContact OG1-ND1 2.85Å; H518-A521 PolarHBondContact O-N 3.28Å; H518-Q522 WeakPolarHBondContact O-CB 2.99Å; H518-Q522 PolarHBondContact O-N 3.33Å; H518-A541 PolarHBondContact CE1-O 3.21Å; H518-A541 PolarHBondContact NE2-O 3.47Å; H518-A541 VanDerWaalsContact NE2-O 3.11Å; H518-R547 PolarHBondContact NE2-O 3.4Å; H518-L552 HydrophobicContact CB-CD1 3.9Å
519V92Very high90.5Very high3 Ų335.4 Ų35.42%0.01820%0.197CC..Hα-helixtrans-68-41-178.1-173.20000110.9F480 M488 Q514 T515 A521 Q522 A523F480-V519 HydrophobicContact CE1-CG2 4.05Å; M488-V519 HydrophobicContact CB-CG1 3.5Å; M488-V519 HydrophobicContact CG-CG1 3.62Å; M488-V519 HydrophobicContact SD-CG1 3.96Å; Q514-V519 HydrophobicContact CB-CG2 4.4Å; T515-V519 PolarHBondContact O-N 3.19Å; V519-A521 VanDerWaalsContact C-N 3.35Å; V519-A521 PolarHBondContact O-N 3.46Å; V519-Q522 PolarHBondContact O-N 3.32Å; V519-A523 WeakPolarHBondContact O-CB 3.3Å; V519-A523 PolarHBondContact O-N 3.41Å
520A92.4Very high90.4Very high0 Ų033.6 Ų33.60%020%0.195CC..Hα-helixtrans-63.1-39.5174.400000112.5A487 P516 A523 G524 Q525 I528 C529 L532A487-A520 HydrophobicContact CB-CB 4.38Å; P516-A520 VanDerWaalsContact O-CB 3.3Å; P516-A520 WeakPolarHBondContact O-CB 3.47Å; P516-A520 PolarHBondContact O-N 3.43Å; A520-A523 PolarHBondContact O-N 3.33Å; A520-G524 PolarHBondContact O-N 3.35Å; A520-Q525 HydrophobicContact CB-CB 4.33Å; A520-Q525 PolarHBondContact O-N 2.84Å; A520-I528 HydrophobicContact CB-CB 4.45Å; A520-I528 HydrophobicContact CB-CG2 3.97Å; A520-C529 VanDerWaalsContact C-SG 3.6Å; A520-L532 HydrophobicContact CB-CD1 4.4Å
521A90.5Very high90.3Very high0 Ų034.5 Ų34.50%020%0.199CC..Hα-helixtrans-68.5-39.117700000112.2L517 H518 V519 P549 A553 I561 F565L517-A521 VanDerWaalsContact O-CB 3.27Å; L517-A521 WeakPolarHBondContact O-CB 3.35Å; L517-A521 PolarHBondContact O-N 3.41Å; H518-A521 PolarHBondContact O-N 3.28Å; V519-A521 VanDerWaalsContact C-N 3.35Å; V519-A521 PolarHBondContact O-N 3.46Å; A521-P549 HydrophobicContact CB-CB 3.9Å; A521-P549 WeakPolarHBondContact CB-O 3.41Å; A521-A553 HydrophobicContact CB-CB 4.42Å; A521-I561 HydrophobicContact CB-CG2 4.48Å; A521-F565 HydrophobicContact CB-CE2 3.83Å; A521-F565 HydrophobicContact CB-CZ 4.04Å
522Q89.8Confident90.4Very high76 Ų7627.8 Ų27.836%0.35517%0.166SC..Hα-helixtrans-64.5-40.9174.4-170.5-179.2-2.800111.9H518 V519 G524 L552 N556 H558H518-Q522 WeakPolarHBondContact O-CB 2.99Å; H518-Q522 PolarHBondContact O-N 3.33Å; V519-Q522 PolarHBondContact O-N 3.32Å; Q522-G524 VanDerWaalsContact C-N 3.32Å; Q522-G524 PolarHBondContact O-N 2.74Å; Q522-L552 HydrophobicContact CB-CB 4.04Å; Q522-L552 HydrophobicContact CB-CD1 4.27Å; Q522-L552 HydrophobicContact CG-CB 4.48Å; Q522-N556 WeakPolarHBondContact CG-ND2 3.41Å; Q522-N556 PolarHBondContact O-ND2 2.97Å; Q522-H558 PolarHBondContact O-NE2 3.46Å
523A89.2Confident90.5Very high41 Ų4126 Ų2634%0.33916%0.159SC..THydrogen-bonded Turntrans-82.9-4-178.200000114.4M488 V519 A520 Q525M488-A523 HydrophobicContact CG-CB 4.3Å; M488-A523 WeakPolarHBondContact O-CB 3.36Å; V519-A523 WeakPolarHBondContact O-CB 3.3Å; V519-A523 PolarHBondContact O-N 3.41Å; A520-A523 PolarHBondContact O-N 3.33Å; A523-Q525 HydrophobicContact CB-CG 4.03Å
524G89.7Confident90.4Very high25 Ų2526.6 Ų26.626%0.25817%0.168SC..THydrogen-bonded Turntrans82.220.3178.700000114.7A520 Q522 M526 H558A520-G524 PolarHBondContact O-N 3.35Å; Q522-G524 VanDerWaalsContact C-N 3.32Å; Q522-G524 PolarHBondContact O-N 2.74Å; G524-M526 PolarHBondContact O-N 3.43Å; G524-M526 VanDerWaalsContact O-N 3.1Å; G524-H558 WeakPolarHBondContact CA-CD2 3.48Å; G524-H558 WeakPolarHBondContact CA-NE2 3.37Å; G524-H558 PolarHBondContact N-NE2 3.43Å
525Q90.3Very high90.3Very high53 Ų5330.7 Ų30.725%0.24819%0.188CC..  trans-87.484.4-172-58.4-63.9-5.500112.9M488 A520 A523 A527 I528 C529M488-Q525 WeakPolarHBondContact O-CG 3.26Å; M488-Q525 PolarHBondContact O-NE2 3.31Å; M488-Q525 VanDerWaalsContact O-NE2 3.14Å; A520-Q525 HydrophobicContact CB-CB 4.33Å; A520-Q525 PolarHBondContact O-N 2.84Å; A523-Q525 HydrophobicContact CB-CG 4.03Å; Q525-A527 PolarHBondContact O-N 2.98Å; Q525-I528 HydrophobicContact CB-CB 4.14Å; Q525-I528 HydrophobicContact CB-CG1 4.46Å; Q525-I528 PolarHBondContact O-N 3.37Å; Q525-C529 WeakPolarHBondContact O-CB 3.2Å; Q525-C529 PolarHBondContact O-N 2.72Å; Q525-C529 PolarHBondContact O-SG 3.18Å
526M88.7Confident89.9Confident83 Ų8333.1 Ų33.141%0.40921%0.213SC..Hα-helixtrans-55.4-50.8-178.3-173.7-167.1-58.400113.4G524 I528 C529 A530 Q560 I564G524-M526 PolarHBondContact O-N 3.43Å; G524-M526 VanDerWaalsContact O-N 3.1Å; M526-I528 VanDerWaalsContact C-N 3.3Å; M526-I528 PolarHBondContact O-N 2.83Å; M526-C529 PolarHBondContact O-N 2.74Å; M526-A530 WeakPolarHBondContact O-CB 3.24Å; M526-A530 PolarHBondContact O-N 3.49Å; M526-Q560 HydrophobicContact CE-CB 3.52Å; M526-Q560 HydrophobicContact CE-CG 3.99Å; M526-I564 HydrophobicContact CG-CD1 3.5Å; M526-I564 VanDerWaalsContact CG-CD1 3.5Å; M526-I564 HydrophobicContact SD-CD1 4.39Å
527A90.3Very high89.7Confident60 Ų6033.5 Ų33.550%0.49622%0.217SC..Hα-helixtrans-64.8-36.1-174.500000112.2Q525 F531Q525-A527 PolarHBondContact O-N 2.98Å; A527-F531 WeakPolarHBondContact O-CB 3.29Å; A527-F531 PolarHBondContact O-N 3.07Å
528I91.7Very high89.3Confident2 Ų237.3 Ų37.31%0.0124%0.237CC..Hα-helixtrans-76.1-42.7178.3-63-170.4000110.9A486 A487 G490 V495 A520 Q525 M526 A530 F531 L532A486-I528 WeakPolarHBondContact O-CD1 3.44Å; A487-I528 HydrophobicContact CB-CG2 4.02Å; G490-I528 VanDerWaalsContact C-CD1 3.42Å; V495-I528 HydrophobicContact CG2-CD1 4.1Å; A520-I528 HydrophobicContact CB-CB 4.45Å; A520-I528 HydrophobicContact CB-CG2 3.97Å; Q525-I528 HydrophobicContact CB-CB 4.14Å; Q525-I528 HydrophobicContact CB-CG1 4.46Å; Q525-I528 PolarHBondContact O-N 3.37Å; M526-I528 VanDerWaalsContact C-N 3.3Å; M526-I528 PolarHBondContact O-N 2.83Å; I528-A530 VanDerWaalsContact C-N 3.28Å; I528-A530 PolarHBondContact O-N 3.1Å; I528-F531 PolarHBondContact O-N 3.46Å; I528-F531 VanDerWaalsContact O-N 3.12Å; I528-L532 HydrophobicContact CG2-CD1 3.65Å; I528-L532 HydrophobicContact CG2-CG 3.95Å; I528-L532 WeakPolarHBondContact O-CB 3.48Å; I528-L532 WeakPolarHBondContact O-CG 3.07Å; I528-L532 PolarHBondContact O-N 2.76Å
529C90.4Very high88.9Confident0 Ų038.6 Ų38.60%025%0.248CC..Hα-helixtrans-56.8-45.6174.5-69.90000111L517 A520 Q525 M526 F531 L533L517-C529 HydrophobicContact CD1-CB 4.31Å; A520-C529 VanDerWaalsContact C-SG 3.6Å; Q525-C529 WeakPolarHBondContact O-CB 3.2Å; Q525-C529 PolarHBondContact O-N 2.72Å; Q525-C529 PolarHBondContact O-SG 3.18Å; M526-C529 PolarHBondContact O-N 2.74Å; C529-F531 PolarHBondContact O-N 3.07Å; C529-L533 WeakPolarHBondContact O-CB 3.37Å; C529-L533 WeakPolarHBondContact O-CD1 3.43Å; C529-L533 WeakPolarHBondContact O-CG 3.32Å; C529-L533 PolarHBondContact O-N 3.06Å
530A89.5Confident88.4Confident47 Ų4741.7 Ų41.739%0.38827%0.273SS..Hα-helixtrans-62.8-41.5175.800000112.3M526 I528 S534M526-A530 WeakPolarHBondContact O-CB 3.24Å; M526-A530 PolarHBondContact O-N 3.49Å; I528-A530 VanDerWaalsContact C-N 3.28Å; I528-A530 PolarHBondContact O-N 3.1Å; A530-S534 WeakPolarHBondContact O-CB 3.41Å; A530-S534 PolarHBondContact O-N 3.09Å
531F89.9Confident88Confident24 Ų2442.4 Ų42.411%0.10528%0.28CS..Hα-helixtrans-66.6-47.8177.9-177.7-98.4000112.5V495 E496 A527 I528 C529 L533 S534 Q535V495-F531 HydrophobicContact CG1-CD1 3.89Å; V495-F531 HydrophobicContact CG1-CE1 3.87Å; E496-F531 HydrophobicContact CG-CE1 4.39Å; E496-F531 HydrophobicContact CG-CE2 3.98Å; E496-F531 HydrophobicContact CG-CZ 3.8Å; A527-F531 WeakPolarHBondContact O-CB 3.29Å; A527-F531 PolarHBondContact O-N 3.07Å; I528-F531 PolarHBondContact O-N 3.46Å; I528-F531 VanDerWaalsContact O-N 3.12Å; C529-F531 PolarHBondContact O-N 3.07Å; F531-L533 PolarHBondContact O-N 3.11Å; F531-S534 WeakPolarHBondContact O-CB 3.28Å; F531-S534 PolarHBondContact O-N 2.87Å; F531-S534 VanDerWaalsContact O-N 3.09Å; F531-S534 PolarHBondContact O-OG 2.67Å; F531-Q535 HydrophobicContact CD1-CG 4.35Å; F531-Q535 HydrophobicContact CE1-CG 3.93Å; F531-Q535 HydrophobicContact CE2-CG 4.5Å; F531-Q535 HydrophobicContact CZ-CG 4.02Å; F531-Q535 WeakPolarHBondContact O-CG 3.44Å; F531-Q535 PolarHBondContact O-N 3.21Å
532L90.1Very high87.7Confident1 Ų151.2 Ų51.21%0.00531%0.313CS..Hα-helixtrans-61.7-42.4177.7-70.2174.2000111.3V506 P516 L517 A520 I528 S534 Q535 G536 A537V506-L532 HydrophobicContact CG1-CD2 4Å; P516-L532 HydrophobicContact CB-CD1 4.07Å; L517-L532 HydrophobicContact CB-CD1 4.38Å; L517-L532 HydrophobicContact CD1-CB 4.04Å; L517-L532 HydrophobicContact CD1-CD1 4.34Å; A520-L532 HydrophobicContact CB-CD1 4.4Å; I528-L532 HydrophobicContact CG2-CD1 3.65Å; I528-L532 HydrophobicContact CG2-CG 3.95Å; I528-L532 WeakPolarHBondContact O-CB 3.48Å; I528-L532 WeakPolarHBondContact O-CG 3.07Å; I528-L532 PolarHBondContact O-N 2.76Å; L532-S534 VanDerWaalsContact C-N 3.3Å; L532-S534 PolarHBondContact O-N 3.29Å; L532-Q535 CarbonylContact O-C 3.59Å; L532-Q535 PolarHBondContact O-N 3.5Å; L532-Q535 VanDerWaalsContact O-N 3.15Å; L532-G536 PolarHBondContact O-N 2.85Å; L532-A537 HydrophobicContact CB-CB 4Å; L532-A537 VanDerWaalsContact O-CB 3.22Å; L532-A537 WeakPolarHBondContact O-CB 3.49Å; L532-A537 PolarHBondContact O-N 2.68Å
533L88.5Confident87.5Confident47 Ų4747.9 Ų47.925%0.24630%0.298CS..Hα-helixtrans-62-36.7173-72.6168.6000112L517 C529 F531 Q535 G536 A539 I564 F565L517-L533 HydrophobicContact CD1-CG 4.18Å; L517-L533 HydrophobicContact CD2-CD2 4.04Å; C529-L533 WeakPolarHBondContact O-CB 3.37Å; C529-L533 WeakPolarHBondContact O-CD1 3.43Å; C529-L533 WeakPolarHBondContact O-CG 3.32Å; C529-L533 PolarHBondContact O-N 3.06Å; F531-L533 PolarHBondContact O-N 3.11Å; L533-Q535 VanDerWaalsContact C-N 3.29Å; L533-Q535 PolarHBondContact O-N 3.14Å; L533-G536 PolarHBondContact O-N 2.96Å; L533-A539 HydrophobicContact CD2-CB 4.01Å; L533-I564 HydrophobicContact CD1-CG2 3.98Å; L533-F565 HydrophobicContact CD1-CD1 4.48Å; L533-F565 HydrophobicContact CD1-CE1 4.18Å
534S88.1Confident87.2Confident84 Ų8450.2 Ų50.259%0.58731%0.307SS*.Hα-helixtrans-68.1-26.6175.278.90000113.7A530 F531 L532 G536A530-S534 WeakPolarHBondContact O-CB 3.41Å; A530-S534 PolarHBondContact O-N 3.09Å; F531-S534 WeakPolarHBondContact O-CB 3.28Å; F531-S534 PolarHBondContact O-N 2.87Å; F531-S534 VanDerWaalsContact O-N 3.09Å; F531-S534 PolarHBondContact O-OG 2.67Å; L532-S534 VanDerWaalsContact C-N 3.3Å; L532-S534 PolarHBondContact O-N 3.29Å; S534-G536 VanDerWaalsContact C-N 3.29Å
535Q86.1Confident86.3Confident91 Ų9154.9 Ų54.943%0.42532%0.322SS..THydrogen-bonded Turntrans-885.8174.7-63.7-60.7-39.700112.7V506 F531 L532 L533V506-Q535 HydrophobicContact CG2-CB 4.47Å; F531-Q535 HydrophobicContact CD1-CG 4.35Å; F531-Q535 HydrophobicContact CE1-CG 3.93Å; F531-Q535 HydrophobicContact CE2-CG 4.5Å; F531-Q535 HydrophobicContact CZ-CG 4.02Å; F531-Q535 WeakPolarHBondContact O-CG 3.44Å; F531-Q535 PolarHBondContact O-N 3.21Å; L532-Q535 CarbonylContact O-C 3.59Å; L532-Q535 PolarHBondContact O-N 3.5Å; L532-Q535 VanDerWaalsContact O-N 3.15Å; L533-Q535 VanDerWaalsContact C-N 3.29Å; L533-Q535 PolarHBondContact O-N 3.14Å
536G84.8Confident85.4Confident56 Ų5654.2 Ų54.258%0.57733%0.329SS*.THydrogen-bonded Turntrans86.822.4174.800000115.8L532 L533 S534L532-G536 PolarHBondContact O-N 2.85Å; L533-G536 PolarHBondContact O-N 2.96Å; S534-G536 VanDerWaalsContact C-N 3.29Å
537A87Confident84.7Confident9 Ų952.7 Ų52.77%0.07432%0.319CS..  trans-63.2140.7176.800000112.8V506 D507 L517 L532 A539V506-A537 HydrophobicContact CG1-CB 3.91Å; D507-A537 WeakPolarHBondContact OD1-CA 3.3Å; L517-A537 HydrophobicContact CD2-CB 4.24Å; L532-A537 HydrophobicContact CB-CB 4Å; L532-A537 VanDerWaalsContact O-CB 3.22Å; L532-A537 WeakPolarHBondContact O-CB 3.49Å; L532-A537 PolarHBondContact O-N 2.68Å; A537-A539 PolarHBondContact O-N 2.64Å
538D85.5Confident84.4Confident81 Ų8150.6 Ų50.643%0.43330%0.3SS..  trans-74.4110.3-177.3-1758.9000112.8D507 A540 A541D507-D538 PolarHBondContact OD1-N 2.79Å; D538-A540 VanDerWaalsContact C-N 3.32Å; D538-A540 WeakPolarHBondContact OD1-CB 3.34Å; D538-A540 PolarHBondContact OD1-N 3.04Å; D538-A541 HydrophobicContact CB-CB 4.27Å
539A82Confident84Confident27 Ų2750.5 Ų50.522%0.22330%0.299CS..THydrogen-bonded Turntrans-77.3-14.7177.100000113.9L517 L533 A537 P549L517-A539 HydrophobicContact CD2-CB 4.4Å; L533-A539 HydrophobicContact CD2-CB 4.01Å; A537-A539 PolarHBondContact O-N 2.64Å; A539-P549 WeakPolarHBondContact O-CD 3.48Å
540A81.1Confident83.6Confident68 Ų6850.9 Ų50.956%0.56230%0.301SS*.THydrogen-bonded Turntrans-96.5-4-18000000113.1D538D538-A540 VanDerWaalsContact C-N 3.32Å; D538-A540 WeakPolarHBondContact OD1-CB 3.34Å; D538-A540 PolarHBondContact OD1-N 3.04Å
541A84.6Confident82.9Confident16 Ų1649.2 Ų49.213%0.13229%0.286CS..  trans-54141176.700000111T515 H518 D538T515-A541 HydrophobicContact CG2-CB 4.14Å; H518-A541 PolarHBondContact CE1-O 3.21Å; H518-A541 PolarHBondContact NE2-O 3.47Å; H518-A541 VanDerWaalsContact NE2-O 3.11Å; D538-A541 HydrophobicContact CB-CB 4.27Å
542R84.1Confident82.4Confident185 Ų18548 Ų4870%0.69828%0.281SS*.  trans-115.4130.2-177.3-65.3-177.8-178.3178.4-0.2110.1R547 T548R542-R547 WeakPolarHBondContact CA-O 3.04Å; R542-T548 HydrophobicContact CG-CG2 4.36Å
543D85.2Confident81.9Confident6 Ų648 Ų483%0.03228%0.28CS..  trans-71.9178.5169.381.8-8.4000111.4E512 Q514 H545 G546 R547E512-D543 CarbonylContact O-C 3.58Å; E512-D543 WeakPolarHBondContact O-CA 3.27Å; E512-D543 WeakPolarHBondContact O-CB 3.45Å; Q514-D543 HydrophobicContact CG-CB 3.86Å; D543-H545 PolarHBondContact O-N 3.49Å; D543-H545 VanDerWaalsContact O-N 3.15Å; D543-H545 VanDerWaalsContact OD1-C 3.29Å; D543-H545 VanDerWaalsContact OD1-CA 3.3Å; D543-H545 WeakPolarHBondContact OD1-CA 3.36Å; D543-H545 WeakPolarHBondContact OD1-CB 3.44Å; D543-H545 PolarHBondContact OD1-N 3.05Å; D543-H545 IonicContact OD2-CD2 2.9Å; D543-G546 PolarHBondContact O-N 2.86Å; D543-G546 PolarHBondContact OD1-N 2.76Å; D543-R547 PolarHBondContact N-O 2.81Å; D543-R547 WeakPolarHBondContact OD1-CA 3.31Å; D543-R547 VanDerWaalsContact OD1-CB 3.31Å; D543-R547 WeakPolarHBondContact OD1-CB 3.45Å; D543-R547 PolarHBondContact OD1-N 2.84Å; D543-R547 IonicContact OD1-NE 3.69Å; D543-R547 IonicContact OD2-CZ 2.8Å; D543-R547 IonicContact OD2-NE 2.83Å; D543-R547 PolarHBondContact OD2-NE 2.9Å; D543-R547 IonicContact OD2-NH2 3.2Å; D543-R547 PolarHBondContact OD2-NH2 3.4Å
544V84Confident81.2Confident89 Ų8945.8 Ų45.854%0.53927%0.269SS..THydrogen-bonded Turntrans-59.4-24.1177.9169.60000113E512 N513 G546E512-V544 VanDerWaalsContact C-CG2 3.46Å; E512-V544 WeakPolarHBondContact O-CG2 3.44Å; E512-V544 PolarHBondContact O-N 2.89Å; N513-V544 HydrophobicContact CB-CG2 4.23Å; V544-G546 VanDerWaalsContact C-N 3.32Å
545H70.7Confident80.4Confident123 Ų12343.3 Ų43.357%0.56925%0.248SC*.THydrogen-bonded Turntrans-90.94.4177.1-55.5-76.7000112.8D543 R547D543-H545 PolarHBondContact O-N 3.49Å; D543-H545 VanDerWaalsContact O-N 3.15Å; D543-H545 VanDerWaalsContact OD1-C 3.29Å; D543-H545 VanDerWaalsContact OD1-CA 3.3Å; D543-H545 WeakPolarHBondContact OD1-CA 3.36Å; D543-H545 WeakPolarHBondContact OD1-CB 3.44Å; D543-H545 PolarHBondContact OD1-N 3.05Å; D543-H545 IonicContact OD2-CD2 2.9Å; H545-R547 HydrophobicContact CB-CG 4Å; H545-R547 PolarHBondContact CD2-NH2 3Å; H545-R547 PolarHBondContact O-N 2.8Å
546G72.3Confident79.8Confident39 Ų3942.1 Ų42.140%0.40225%0.245SC..SBendtrans71.511.3-175.500000113.8D543 V544D543-G546 PolarHBondContact O-N 2.86Å; D543-G546 PolarHBondContact OD1-N 2.76Å; V544-G546 VanDerWaalsContact C-N 3.32Å
547R73.9Confident79.3Confident52 Ų5241.5 Ų41.520%0.19623%0.228CC..  trans-78.2139.8177.2-60.1177.2-65.8-171.8-0108.8H518 R542 D543 H545 H551 E555H518-R547 PolarHBondContact NE2-O 3.4Å; R542-R547 WeakPolarHBondContact CA-O 3.04Å; D543-R547 PolarHBondContact N-O 2.81Å; D543-R547 WeakPolarHBondContact OD1-CA 3.31Å; D543-R547 VanDerWaalsContact OD1-CB 3.31Å; D543-R547 WeakPolarHBondContact OD1-CB 3.45Å; D543-R547 PolarHBondContact OD1-N 2.84Å; D543-R547 IonicContact OD1-NE 3.69Å; D543-R547 IonicContact OD2-CZ 2.8Å; D543-R547 IonicContact OD2-NE 2.83Å; D543-R547 PolarHBondContact OD2-NE 2.9Å; D543-R547 IonicContact OD2-NH2 3.2Å; D543-R547 PolarHBondContact OD2-NH2 3.4Å; H545-R547 HydrophobicContact CB-CG 4Å; H545-R547 PolarHBondContact CD2-NH2 3Å; H545-R547 PolarHBondContact O-N 2.8Å; R547-H551 HydrophobicContact CB-CB 3.9Å; R547-H551 HydrophobicContact CG-CB 4.29Å; R547-E555 IonicContact NH1-OE2 2.83Å
548T82.8Confident78.8Confident15 Ų1543.6 Ų43.69%0.09224%0.236CC..  trans-96.1168.1169.968.70000109.4R542 L550 H551 L552R542-T548 HydrophobicContact CG-CG2 4.36Å; T548-L550 PolarHBondContact O-N 2.94Å; T548-L550 VanDerWaalsContact O-N 3.11Å; T548-H551 PolarHBondContact N-ND1 3.04Å; T548-H551 WeakPolarHBondContact O-CB 3.43Å; T548-H551 PolarHBondContact O-N 3.36Å; T548-H551 PolarHBondContact OG1-CE1 2.66Å; T548-H551 PolarHBondContact OG1-ND1 2.79Å; T548-L552 PolarHBondContact O-N 3.4Å
549P83.8Confident78.2Confident0 Ų042.5 Ų42.50%023%0.234CC..Hα-helixtrans-55.7-32176.6-22.632.5000112.8L517 A521 A539 H551 L552 A553 F565L517-P549 HydrophobicContact CD2-CG 4.1Å; L517-P549 HydrophobicContact CG-CB 4.35Å; L517-P549 HydrophobicContact CG-CG 4.21Å; A521-P549 HydrophobicContact CB-CB 3.9Å; A521-P549 WeakPolarHBondContact CB-O 3.41Å; A539-P549 WeakPolarHBondContact O-CD 3.48Å; P549-H551 VanDerWaalsContact C-N 3.34Å; P549-H551 PolarHBondContact O-N 3.29Å; P549-L552 PolarHBondContact O-N 3.06Å; P549-A553 PolarHBondContact O-N 3.18Å; P549-F565 HydrophobicContact CB-CE1 4.06Å; P549-F565 HydrophobicContact CB-CE2 4.07Å; P549-F565 HydrophobicContact CB-CZ 3.55Å
550L81.1Confident78Confident8 Ų846.6 Ų46.64%0.04225%0.248CC..Hα-helixtrans-62.4-37.3174.5-179.567.4000112.7T548 A554 V562 F565 V570T548-L550 PolarHBondContact O-N 2.94Å; T548-L550 VanDerWaalsContact O-N 3.11Å; L550-A554 VanDerWaalsContact O-CB 3.26Å; L550-A554 WeakPolarHBondContact O-CB 3.32Å; L550-A554 PolarHBondContact O-N 3.32Å; L550-V562 HydrophobicContact CD1-CB 4.4Å; L550-V562 HydrophobicContact CD1-CG1 4.11Å; L550-V562 HydrophobicContact CD1-CG2 4.27Å; L550-F565 HydrophobicContact CD1-CB 3.75Å; L550-F565 HydrophobicContact CD1-CD2 4.31Å; L550-F565 HydrophobicContact CD1-CG 4.39Å; L550-V570 HydrophobicContact CD2-CG1 4.11Å
551H75.5Confident78Confident12 Ų1243.6 Ų43.66%0.05622%0.222CC..Hα-helixtrans-65.6-40.8178.2-68.886.9000111.4R547 T548 P549 A554 E555 S574 A577 T578R547-H551 HydrophobicContact CB-CB 3.9Å; R547-H551 HydrophobicContact CG-CB 4.29Å; T548-H551 PolarHBondContact N-ND1 3.04Å; T548-H551 WeakPolarHBondContact O-CB 3.43Å; T548-H551 PolarHBondContact O-N 3.36Å; T548-H551 PolarHBondContact OG1-CE1 2.66Å; T548-H551 PolarHBondContact OG1-ND1 2.79Å; P549-H551 VanDerWaalsContact C-N 3.34Å; P549-H551 PolarHBondContact O-N 3.29Å; H551-A554 WeakPolarHBondContact O-CB 3.37Å; H551-A554 PolarHBondContact O-N 3.19Å; H551-E555 WeakPolarHBondContact O-CB 3.34Å; H551-E555 PolarHBondContact O-N 3.42Å; H551-S574 PolarHBondContact NE2-O 3.26Å; H551-A577 WeakPolarHBondContact NE2-CB 3.48Å; H551-T578 WeakPolarHBondContact CD2-CG2 3.43Å
552L80.2Confident77.6Confident0 Ų043.6 Ų43.60%022%0.221CC..Hα-helixtrans-70.2-41.5179-63.5171.9000111.7H518 Q522 T548 P549 A554 E555 N556H518-L552 HydrophobicContact CB-CD1 3.9Å; Q522-L552 HydrophobicContact CB-CB 4.04Å; Q522-L552 HydrophobicContact CB-CD1 4.27Å; Q522-L552 HydrophobicContact CG-CB 4.48Å; T548-L552 PolarHBondContact O-N 3.4Å; P549-L552 PolarHBondContact O-N 3.06Å; L552-A554 PolarHBondContact O-N 3.19Å; L552-E555 PolarHBondContact O-N 3.31Å; L552-N556 PolarHBondContact O-N 3.42Å; L552-N556 VanDerWaalsContact O-N 3.1Å
553A79.6Confident77.1Confident0 Ų040.3 Ų40.30%021%0.214CC..Hα-helixtrans-61.8-31.117300000112.4A521 P549 D557 H558 I561 V562 F565A521-A553 HydrophobicContact CB-CB 4.42Å; P549-A553 PolarHBondContact O-N 3.18Å; A553-D557 PolarHBondContact O-N 3.16Å; A553-H558 PolarHBondContact O-N 2.88Å; A553-I561 HydrophobicContact CB-CB 4.18Å; A553-I561 HydrophobicContact CB-CG2 3.64Å; A553-V562 HydrophobicContact CB-CG2 4Å; A553-F565 HydrophobicContact CB-CE2 4.43Å
554A73.5Confident76.9Confident1 Ų142.2 Ų42.21%0.00822%0.223CC..Hα-helixtrans-74.9-40.9176.400000113.4L550 H551 L552 D557 R582L550-A554 VanDerWaalsContact O-CB 3.26Å; L550-A554 WeakPolarHBondContact O-CB 3.32Å; L550-A554 PolarHBondContact O-N 3.32Å; H551-A554 WeakPolarHBondContact O-CB 3.37Å; H551-A554 PolarHBondContact O-N 3.19Å; L552-A554 PolarHBondContact O-N 3.19Å; A554-D557 PolarHBondContact O-N 3.32Å; A554-R582 VanDerWaalsContact CB-NH1 3.29Å; A554-R582 VanDerWaalsContact CB-NH2 3.33Å; A554-R582 PolarHBondContact O-NE 2.94Å; A554-R582 PolarHBondContact O-NH2 2.79Å
555E70Confident76.6Confident32 Ų3238 Ų3815%0.1520%0.198CC..Hα-helixtrans-66-36.1178.8-171.9172-178.300112R547 H551 L552 Y585R547-E555 IonicContact NH1-OE2 2.83Å; H551-E555 WeakPolarHBondContact O-CB 3.34Å; H551-E555 PolarHBondContact O-N 3.42Å; L552-E555 PolarHBondContact O-N 3.31Å; E555-Y585 HydrophobicContact CG-CD2 4.23Å
556N74.3Confident76.6Confident66 Ų6636.5 Ų36.535%0.35319%0.193SC..THydrogen-bonded Turntrans-97.514.2179.6-65.4-24.2000114.3Q522 L552 H558Q522-N556 WeakPolarHBondContact CG-ND2 3.41Å; Q522-N556 PolarHBondContact O-ND2 2.97Å; L552-N556 PolarHBondContact O-N 3.42Å; L552-N556 VanDerWaalsContact O-N 3.1Å; N556-H558 PolarHBondContact O-CE1 3.4Å; N556-H558 VanDerWaalsContact O-CE1 3.26Å; N556-H558 PolarHBondContact O-N 3.48Å; N556-H558 PolarHBondContact O-ND1 2.91Å
557D73.7Confident76.5Confident43 Ų4343.1 Ų43.123%0.2321%0.211CC..THydrogen-bonded Turntrans59.547.2171.4-114.813.7000114.9A553 A554 P559 S587 L590A553-D557 PolarHBondContact O-N 3.16Å; A554-D557 PolarHBondContact O-N 3.32Å; D557-P559 WeakPolarHBondContact O-CD 3.37Å; D557-S587 VanDerWaalsContact OD1-CB 3.24Å; D557-S587 WeakPolarHBondContact OD1-CB 3.03Å; D557-S587 PolarHBondContact OD1-OG 3.43Å; D557-S587 VanDerWaalsContact OD2-CA 3.24Å; D557-S587 WeakPolarHBondContact OD2-CA 3.36Å; D557-S587 WeakPolarHBondContact OD2-CB 3.47Å; D557-S587 PolarHBondContact OD2-OG 2.89Å; D557-S587 VanDerWaalsContact OD2-OG 3.12Å; D557-L590 VanDerWaalsContact OD1-CD1 3.29Å; D557-L590 WeakPolarHBondContact OD1-CD1 3.39Å
558H77.1Confident75.9Confident52 Ų5243 Ų4324%0.24122%0.218CC..  trans-103.582.7179.2-62.6-37.3000112.4Q522 G524 A553 N556 Q560 I561 V562Q522-H558 PolarHBondContact O-NE2 3.46Å; G524-H558 WeakPolarHBondContact CA-CD2 3.48Å; G524-H558 WeakPolarHBondContact CA-NE2 3.37Å; G524-H558 PolarHBondContact N-NE2 3.43Å; A553-H558 PolarHBondContact O-N 2.88Å; N556-H558 PolarHBondContact O-CE1 3.4Å; N556-H558 VanDerWaalsContact O-CE1 3.26Å; N556-H558 PolarHBondContact O-N 3.48Å; N556-H558 PolarHBondContact O-ND1 2.91Å; H558-Q560 VanDerWaalsContact C-N 3.3Å; H558-Q560 PolarHBondContact O-N 3.08Å; H558-I561 HydrophobicContact CB-CB 4.17Å; H558-I561 HydrophobicContact CB-CD1 4.02Å; H558-I561 HydrophobicContact CB-CG1 4.3Å; H558-I561 PolarHBondContact O-N 3.41Å; H558-V562 WeakPolarHBondContact O-CG2 3.46Å; H558-V562 PolarHBondContact O-N 3.29Å; H558-V562 VanDerWaalsContact O-N 3.14Å
559P72.2Confident74.7Confident59 Ų5950.2 Ų50.238%0.38326%0.256SS..Hα-helixtrans-63.4-33.5-17126.1-36.4000113.1D557 Q563 L590D557-P559 WeakPolarHBondContact O-CD 3.37Å; P559-Q563 WeakPolarHBondContact O-CG 3.29Å; P559-Q563 PolarHBondContact O-N 2.8Å; P559-L590 HydrophobicContact CB-CD1 4.43Å
560Q78.4Confident73.5Confident113 Ų11352.3 Ų52.353%0.52827%0.269SS..Hα-helixtrans-72.4-34.8-178.4-60.6128.2-200112.1M526 H558 Q563 I564M526-Q560 HydrophobicContact CE-CB 3.52Å; M526-Q560 HydrophobicContact CE-CG 3.99Å; H558-Q560 VanDerWaalsContact C-N 3.3Å; H558-Q560 PolarHBondContact O-N 3.08Å; Q560-Q563 WeakPolarHBondContact O-CB 3.42Å; Q560-Q563 PolarHBondContact O-N 3.17Å; Q560-I564 WeakPolarHBondContact O-CG1 3.2Å; Q560-I564 PolarHBondContact O-N 2.98Å; Q560-I564 VanDerWaalsContact O-N 3.09Å
561I81.8Confident72.3Confident4 Ų457.5 Ų57.52%0.02130%0.297CS..Hα-helixtrans-72-40.8176.7-65.6178.2000110.3A521 A553 H558 Q563 I564 F565A521-I561 HydrophobicContact CB-CG2 4.48Å; A553-I561 HydrophobicContact CB-CB 4.18Å; A553-I561 HydrophobicContact CB-CG2 3.64Å; H558-I561 HydrophobicContact CB-CB 4.17Å; H558-I561 HydrophobicContact CB-CD1 4.02Å; H558-I561 HydrophobicContact CB-CG1 4.3Å; H558-I561 PolarHBondContact O-N 3.41Å; I561-Q563 PolarHBondContact O-N 2.9Å; I561-I564 WeakPolarHBondContact O-CB 3.37Å; I561-I564 PolarHBondContact O-N 3.2Å; I561-F565 HydrophobicContact CG2-CD2 3.56Å; I561-F565 HydrophobicContact CG2-CE2 3.27Å; I561-F565 HydrophobicContact CG2-CZ 4.32Å; I561-F565 VanDerWaalsContact O-CD2 3.29Å; I561-F565 WeakPolarHBondContact O-CD2 3.44Å; I561-F565 PolarHBondContact O-N 3.48Å
562V75.3Confident71.2Confident16 Ų1661.9 Ų61.910%0.09733%0.326CS..Hα-helixtrans-57.9-38.7171.7172.90000110.8L550 A553 H558 F565 L566L550-V562 HydrophobicContact CD1-CB 4.4Å; L550-V562 HydrophobicContact CD1-CG1 4.11Å; L550-V562 HydrophobicContact CD1-CG2 4.27Å; A553-V562 HydrophobicContact CB-CG2 4Å; H558-V562 WeakPolarHBondContact O-CG2 3.46Å; H558-V562 PolarHBondContact O-N 3.29Å; H558-V562 VanDerWaalsContact O-N 3.14Å; V562-F565 PolarHBondContact O-N 3.39Å; V562-L566 HydrophobicContact CG1-CD1 3.73Å; V562-L566 HydrophobicContact CG1-CG 4.27Å; V562-L566 WeakPolarHBondContact O-CB 3.26Å; V562-L566 WeakPolarHBondContact O-CG 3.49Å; V562-L566 PolarHBondContact O-N 3.42Å
563Q74.9Confident69.9Low117 Ų11766.4 Ų66.455%0.54736%0.358SS..Hα-helixtrans-65.1-38.3172.9-751785.300113.4P559 Q560 I561 K567P559-Q563 WeakPolarHBondContact O-CG 3.29Å; P559-Q563 PolarHBondContact O-N 2.8Å; Q560-Q563 WeakPolarHBondContact O-CB 3.42Å; Q560-Q563 PolarHBondContact O-N 3.17Å; I561-Q563 PolarHBondContact O-N 2.9Å; Q563-K567 WeakPolarHBondContact O-CB 3.15Å; Q563-K567 WeakPolarHBondContact O-CG 3.44Å; Q563-K567 PolarHBondContact O-N 3.13Å
564I79.3Confident68.6Low45 Ų4567.5 Ų67.523%0.23137%0.365CS..Hα-helixtrans-64-46.7176.5-69.4167.9000110M526 L533 Q560 I561 K567 S568M526-I564 HydrophobicContact CG-CD1 3.5Å; M526-I564 VanDerWaalsContact CG-CD1 3.5Å; M526-I564 HydrophobicContact SD-CD1 4.39Å; L533-I564 HydrophobicContact CD1-CG2 3.98Å; Q560-I564 WeakPolarHBondContact O-CG1 3.2Å; Q560-I564 PolarHBondContact O-N 2.98Å; Q560-I564 VanDerWaalsContact O-N 3.09Å; I561-I564 WeakPolarHBondContact O-CB 3.37Å; I561-I564 PolarHBondContact O-N 3.2Å; I564-K567 PolarHBondContact O-N 3.03Å; I564-S568 PolarHBondContact O-N 3.33Å; I564-S568 PolarHBondContact O-OG 2.9Å
565F78Confident67.6Low2 Ų270 Ų701%0.00938%0.379CS..Hα-helixtrans-67.2-37.4177.8-74-56.7000113.2L517 A521 L533 P549 L550 A553 I561 V562 K567 S568 V570L517-F565 HydrophobicContact CD1-CZ 4.39Å; L517-F565 HydrophobicContact CD2-CE1 4.33Å; L517-F565 HydrophobicContact CG-CZ 4.41Å; A521-F565 HydrophobicContact CB-CE2 3.83Å; A521-F565 HydrophobicContact CB-CZ 4.04Å; L533-F565 HydrophobicContact CD1-CD1 4.48Å; L533-F565 HydrophobicContact CD1-CE1 4.18Å; P549-F565 HydrophobicContact CB-CE1 4.06Å; P549-F565 HydrophobicContact CB-CE2 4.07Å; P549-F565 HydrophobicContact CB-CZ 3.55Å; L550-F565 HydrophobicContact CD1-CB 3.75Å; L550-F565 HydrophobicContact CD1-CD2 4.31Å; L550-F565 HydrophobicContact CD1-CG 4.39Å; A553-F565 HydrophobicContact CB-CE2 4.43Å; I561-F565 HydrophobicContact CG2-CD2 3.56Å; I561-F565 HydrophobicContact CG2-CE2 3.27Å; I561-F565 HydrophobicContact CG2-CZ 4.32Å; I561-F565 VanDerWaalsContact O-CD2 3.29Å; I561-F565 WeakPolarHBondContact O-CD2 3.44Å; I561-F565 PolarHBondContact O-N 3.48Å; V562-F565 PolarHBondContact O-N 3.39Å; F565-K567 VanDerWaalsContact C-N 3.32Å; F565-K567 PolarHBondContact O-N 3.46Å; F565-S568 WeakPolarHBondContact CA-OG 3.14Å; F565-S568 CarbonylContact O-C 3.49Å; F565-S568 PolarHBondContact O-N 2.73Å; F565-S568 PolarHBondContact O-OG 3.27Å; F565-V570 WeakPolarHBondContact O-CG2 3.47Å
566L70.5Confident66.6Low91 Ų9170.8 Ų70.848%0.47639%0.387SS..Hα-helixtrans-70.2-27175.9-73.1170.6000112.9V562 S568V562-L566 HydrophobicContact CG1-CD1 3.73Å; V562-L566 HydrophobicContact CG1-CG 4.27Å; V562-L566 WeakPolarHBondContact O-CB 3.26Å; V562-L566 WeakPolarHBondContact O-CG 3.49Å; V562-L566 PolarHBondContact O-N 3.42Å; L566-S568 VanDerWaalsContact C-N 3.3Å
567K70.5Confident65.5Low177 Ų17770.1 Ų70.177%0.7739%0.391SS*.Hα-helixtrans-72-24.2171.8-79.9177.3179.2179.40112.7Q563 I564 F565Q563-K567 WeakPolarHBondContact O-CB 3.15Å; Q563-K567 WeakPolarHBondContact O-CG 3.44Å; Q563-K567 PolarHBondContact O-N 3.13Å; I564-K567 PolarHBondContact O-N 3.03Å; F565-K567 VanDerWaalsContact C-N 3.32Å; F565-K567 PolarHBondContact O-N 3.46Å
568S60.6Low64.4Low49 Ų4968.2 Ų68.234%0.34338%0.381SS..SBendtrans-99.572.5178.961.70000111.5I564 F565 L566 V570I564-S568 PolarHBondContact O-N 3.33Å; I564-S568 PolarHBondContact O-OG 2.9Å; F565-S568 WeakPolarHBondContact CA-OG 3.14Å; F565-S568 CarbonylContact O-C 3.49Å; F565-S568 PolarHBondContact O-N 2.73Å; F565-S568 PolarHBondContact O-OG 3.27Å; L566-S568 VanDerWaalsContact C-N 3.3Å; S568-V570 WeakPolarHBondContact O-CG2 3.49Å; S568-V570 PolarHBondContact O-N 3.07Å
569N58.5Low63.1Low167 Ų16765.8 Ų65.889%0.89337%0.37SS*.  trans29.653.4166.4-74.4-9.6000117.8
570V58.5Low62Low45 Ų4566.2 Ų66.227%0.27337%0.369SS..  trans-92.3132.9173.8-178.60000110.7L550 F565 S568 S574L550-V570 HydrophobicContact CD2-CG1 4.11Å; F565-V570 WeakPolarHBondContact O-CG2 3.47Å; S568-V570 WeakPolarHBondContact O-CG2 3.49Å; S568-V570 PolarHBondContact O-N 3.07Å; V570-S574 WeakPolarHBondContact CG1-OG 3.49Å
571D56.8Low60.7Low116 Ų11662.2 Ų62.262%0.6235%0.354SS*.  trans-62.1139.8-176-69.1-35.1000114.1S573 S574D571-S573 PolarHBondContact O-N 2.95Å; D571-S573 VanDerWaalsContact O-N 3.15Å; D571-S574 WeakPolarHBondContact O-CB 3.48Å; D571-S574 PolarHBondContact O-N 3.19Å; D571-S574 VanDerWaalsContact O-N 3.14Å; D571-S574 PolarHBondContact O-OG 2.87Å
572P51.8Low59.1Low105 Ų10562.6 Ų62.668%0.68236%0.355SS*.G310 helixtrans-67.6-15.2-176.925.6-33.8000114.7S574 L575P572-S574 VanDerWaalsContact C-N 3.29Å; P572-S574 PolarHBondContact O-N 3.36Å; P572-L575 HydrophobicContact CB-CD1 4.44Å; P572-L575 PolarHBondContact O-N 3.48Å
573S51.8Low57.8Low94 Ų9462.8 Ų62.866%0.65735%0.354SS*.G310 helixtrans-69.6-26.3174.755.50000112.8D571 L575D571-S573 PolarHBondContact O-N 2.95Å; D571-S573 VanDerWaalsContact O-N 3.15Å; S573-L575 VanDerWaalsContact C-N 3.25Å; S573-L575 PolarHBondContact O-N 3.25Å
574S53.3Low56.3Low23 Ų2366 Ų6616%0.16136%0.361CS..G310 helixtrans-69.3-20.5177.468.90000113.1H551 V570 D571 P572H551-S574 PolarHBondContact NE2-O 3.26Å; V570-S574 WeakPolarHBondContact CG1-OG 3.49Å; D571-S574 WeakPolarHBondContact O-CB 3.48Å; D571-S574 PolarHBondContact O-N 3.19Å; D571-S574 VanDerWaalsContact O-N 3.14Å; D571-S574 PolarHBondContact O-OG 2.87Å; P572-S574 VanDerWaalsContact C-N 3.29Å; P572-S574 PolarHBondContact O-N 3.36Å
575L52.7Low54.9Low55 Ų5570.5 Ų70.529%0.28838%0.377SS..Hα-helixtrans-72.2-28.6-180-75.5148.3000113.4P572 S573 A577 T578P572-L575 HydrophobicContact CB-CD1 4.44Å; P572-L575 PolarHBondContact O-N 3.48Å; S573-L575 VanDerWaalsContact C-N 3.25Å; S573-L575 PolarHBondContact O-N 3.25Å; L575-A577 VanDerWaalsContact C-N 3.26Å; L575-A577 PolarHBondContact O-N 3.45Å; L575-T578 PolarHBondContact O-N 3.04Å; L575-T578 PolarHBondContact O-OG1 3.3Å
576S49.5Very low53.6Low47 Ų4771.9 Ų71.933%0.32939%0.391SS..Hα-helixtrans-65.6-27.9-176.91780000113.3W602S576-W602 VanDerWaalsContact OG-CH2 3.26Å; S576-W602 WeakPolarHBondContact OG-CH2 3.49Å; S576-W602 WeakPolarHBondContact OG-CZ3 3.36Å
577A50.5Low52.7Low53 Ų5368.4 Ų68.444%0.43838%0.375SS..Hα-helixtrans-83.5-25.6178.100000112.1H551 L575 V579 N580H551-A577 WeakPolarHBondContact NE2-CB 3.48Å; L575-A577 VanDerWaalsContact C-N 3.26Å; L575-A577 PolarHBondContact O-N 3.45Å; A577-V579 VanDerWaalsContact C-N 3.28Å; A577-V579 PolarHBondContact O-N 3.25Å; A577-N580 PolarHBondContact O-N 3.43Å
578T49.8Very low51.8Low2 Ų265.5 Ų65.51%0.01237%0.367CS..Hα-helixtrans-66.8-22.218068.10000114.6H551 L575 S581 R582H551-T578 WeakPolarHBondContact CD2-CG2 3.43Å; L575-T578 PolarHBondContact O-N 3.04Å; L575-T578 PolarHBondContact O-OG1 3.3Å; T578-S581 PolarHBondContact O-OG 3.21Å; T578-R582 WeakPolarHBondContact O-CB 3.19Å
579V50Low51.3Low2 Ų269.2 Ų69.21%0.01238%0.383CS..Hα-helixtrans-81.4-34.9-178.2-175.80000111.7A577 S581 R582 M591 V594 I598 L607A577-V579 VanDerWaalsContact C-N 3.28Å; A577-V579 PolarHBondContact O-N 3.25Å; V579-S581 VanDerWaalsContact C-N 3.34Å; V579-S581 PolarHBondContact O-N 3.48Å; V579-R582 PolarHBondContact O-N 2.87Å; V579-M591 HydrophobicContact CG1-CE 4.09Å; V579-V594 HydrophobicContact CG2-CG1 3.97Å; V579-I598 HydrophobicContact CG2-CD1 4.29Å; V579-L607 HydrophobicContact CB-CD2 3.85Å; V579-L607 HydrophobicContact CB-CG 4.28Å; V579-L607 HydrophobicContact CG1-CD2 3.27Å; V579-L607 HydrophobicContact CG1-CG 3.73Å; V579-L607 HydrophobicContact CG2-CD2 4Å
580N50.4Low51Low67 Ų6762.3 Ų62.336%0.35835%0.345SS..Hα-helixtrans-72.9-23.8-176.8-64-19.5000113.5A577A577-N580 PolarHBondContact O-N 3.43Å
581S49.4Very low50.8Low30 Ų3061.8 Ų61.821%0.2134%0.341CS..Hα-helixtrans-85.3-27.2174.656.60000112.8T578 V579 E583T578-S581 PolarHBondContact O-OG 3.21Å; V579-S581 VanDerWaalsContact C-N 3.34Å; V579-S581 PolarHBondContact O-N 3.48Å; S581-E583 VanDerWaalsContact C-N 3.34Å; S581-E583 PolarHBondContact O-N 3.33Å
582R48.5Very low50.7Low12 Ų1259.7 Ų59.75%0.04533%0.333CS..Hα-helixtrans-69.2-25.3-170.2-125.3159.3179.2154.30.7115A554 T578 V579 L590 M591A554-R582 VanDerWaalsContact CB-NH1 3.29Å; A554-R582 VanDerWaalsContact CB-NH2 3.33Å; A554-R582 PolarHBondContact O-NE 2.94Å; A554-R582 PolarHBondContact O-NH2 2.79Å; T578-R582 WeakPolarHBondContact O-CB 3.19Å; V579-R582 PolarHBondContact O-N 2.87Å; R582-L590 VanDerWaalsContact NH2-CD1 3.27Å; R582-M591 HydrophobicContact CB-CE 4.05Å
583E47.8Very low50.9Low19 Ų1961.1 Ų61.19%0.08933%0.329CS..THydrogen-bonded Turntrans-86-9.1-169.6-66.3158.1178.200113.8S581 Y585 M591 S611 M614S581-E583 VanDerWaalsContact C-N 3.34Å; S581-E583 PolarHBondContact O-N 3.33Å; E583-Y585 VanDerWaalsContact C-N 3.35Å; E583-M591 HydrophobicContact CG-CE 3.85Å; E583-S611 WeakPolarHBondContact OE1-CB 3.21Å; E583-S611 PolarHBondContact OE1-OG 3.4Å; E583-S611 WeakPolarHBondContact OE2-CA 3.26Å; E583-S611 WeakPolarHBondContact OE2-CB 3.47Å; E583-S611 PolarHBondContact OE2-N 2.98Å; E583-S611 VanDerWaalsContact OE2-N 3.16Å; E583-S611 PolarHBondContact OE2-OG 3.08Å; E583-M614 HydrophobicContact CB-CB 3.93Å; E583-M614 HydrophobicContact CB-CG 4.5Å; E583-M614 HydrophobicContact CB-SD 3.94Å; E583-M614 WeakPolarHBondContact O-CB 3.35Å
584R45.2Very low51.2Low184 Ų18457.3 Ų57.369%0.69430%0.302SS*.THydrogen-bonded Turntrans-77.4-19.7171.4-77.3-175.4178.9171.3-0.6113.4M614R584-M614 HydrophobicContact CG-SD 3.97Å
585Y48.9Very low51.3Low140 Ų14058.6 Ų58.655%0.54931%0.306SS..THydrogen-bonded Turntrans-132.459.3-167.2-60.4-75.6000111.8E555 E583 S587E555-Y585 HydrophobicContact CG-CD2 4.23Å; E583-Y585 VanDerWaalsContact C-N 3.35Å; Y585-S587 VanDerWaalsContact C-N 3.27Å; Y585-S587 VanDerWaalsContact O-CB 3.28Å; Y585-S587 WeakPolarHBondContact O-CB 3.23Å; Y585-S587 PolarHBondContact O-N 3.33Å
586G51.3Low51.5Low31 Ų3166 Ų6632%0.3233%0.33SS..THydrogen-bonded Turntrans41.729149.300000121.1H620G586-H620 VanDerWaalsContact CA-NE2 3.3Å; G586-H620 WeakPolarHBondContact CA-NE2 3.48Å
587S51.9Low51.9Low19 Ų1969 Ų6913%0.13335%0.347CS..  trans-97.6103.9-166.4114.20000111.1D557 Y585 L589D557-S587 VanDerWaalsContact OD1-CB 3.24Å; D557-S587 WeakPolarHBondContact OD1-CB 3.03Å; D557-S587 PolarHBondContact OD1-OG 3.43Å; D557-S587 VanDerWaalsContact OD2-CA 3.24Å; D557-S587 WeakPolarHBondContact OD2-CA 3.36Å; D557-S587 WeakPolarHBondContact OD2-CB 3.47Å; D557-S587 PolarHBondContact OD2-OG 2.89Å; D557-S587 VanDerWaalsContact OD2-OG 3.12Å; Y585-S587 VanDerWaalsContact C-N 3.27Å; Y585-S587 VanDerWaalsContact O-CB 3.28Å; Y585-S587 WeakPolarHBondContact O-CB 3.23Å; Y585-S587 PolarHBondContact O-N 3.33Å; S587-L589 PolarHBondContact O-N 2.95Å
588L50.4Low52.2Low115 Ų11568.1 Ų68.160%0.60233%0.334SS*.  trans-73.2-23.8-160-105.6107.4000115.4
589L49.8Very low52.5Low128 Ų12872.3 Ų72.367%0.6736%0.362SS*.SBendtrans-104-26.3-156.3-89157.2000115.3S587 F593S587-L589 PolarHBondContact O-N 2.95Å; L589-F593 WeakPolarHBondContact O-CD2 3.34Å
590L53.3Low52.7Low21 Ų2178.5 Ų78.511%0.1139%0.394CS..SBendtrans-89.7-20.9-171.8-95.3135.1000113.8D557 P559 R582 F593 V594D557-L590 VanDerWaalsContact OD1-CD1 3.29Å; D557-L590 WeakPolarHBondContact OD1-CD1 3.39Å; P559-L590 HydrophobicContact CB-CD1 4.43Å; R582-L590 VanDerWaalsContact NH2-CD1 3.27Å; L590-F593 PolarHBondContact O-N 3.4Å; L590-F593 VanDerWaalsContact O-N 3.1Å; L590-V594 HydrophobicContact CB-CG2 4.45Å; L590-V594 HydrophobicContact CD2-CG2 4.17Å; L590-V594 WeakPolarHBondContact O-CB 3.18Å; L590-V594 VanDerWaalsContact O-CG2 3.28Å; L590-V594 WeakPolarHBondContact O-CG2 3.28Å; L590-V594 PolarHBondContact O-N 3.01Å
591M53.5Low52.7Low35 Ų3583.2 Ų83.217%0.17241%0.414CS..Hα-helixtrans-58.9-44.8-179.8-81-61.4175.500113.8V579 R582 E583 F593 V594 L595V579-M591 HydrophobicContact CG1-CE 4.09Å; R582-M591 HydrophobicContact CB-CE 4.05Å; E583-M591 HydrophobicContact CG-CE 3.85Å; M591-F593 VanDerWaalsContact C-N 3.26Å; M591-F593 PolarHBondContact O-N 3.05Å; M591-V594 PolarHBondContact O-N 3.2Å; M591-L595 HydrophobicContact CB-CD1 4.27Å; M591-L595 WeakPolarHBondContact O-CB 3.39Å; M591-L595 WeakPolarHBondContact O-CD1 3.5Å; M591-L595 WeakPolarHBondContact O-CG 3.36Å; M591-L595 PolarHBondContact O-N 2.88Å
592P55.1Low52.7Low71 Ų7187.4 Ų87.446%0.46143%0.425SS..Hα-helixtrans-62-32.4175.8-21.332.1000113.5R596P592-R596 WeakPolarHBondContact O-CB 3.24Å; P592-R596 WeakPolarHBondContact O-CG 2.94Å; P592-R596 PolarHBondContact O-N 3.27Å
593F56.3Low53Low136 Ų13688.2 Ų88.260%0.59643%0.429SS*.Hα-helixtrans-78.1-42.2179.5-77.5-86.9000112.1L589 L590 M591 R596 T597L589-F593 WeakPolarHBondContact O-CD2 3.34Å; L590-F593 PolarHBondContact O-N 3.4Å; L590-F593 VanDerWaalsContact O-N 3.1Å; M591-F593 VanDerWaalsContact C-N 3.26Å; M591-F593 PolarHBondContact O-N 3.05Å; F593-R596 PolarHBondContact O-N 3.4Å; F593-T597 PolarHBondContact O-N 3.27Å
594V56.8Low53Low14 Ų1495.2 Ų95.29%0.08546%0.46CS..Hα-helixtrans-72.3-37.5178.1175.80000111.1V579 L590 M591 R596 T597 I598V579-V594 HydrophobicContact CG2-CG1 3.97Å; L590-V594 HydrophobicContact CB-CG2 4.45Å; L590-V594 HydrophobicContact CD2-CG2 4.17Å; L590-V594 WeakPolarHBondContact O-CB 3.18Å; L590-V594 VanDerWaalsContact O-CG2 3.28Å; L590-V594 WeakPolarHBondContact O-CG2 3.28Å; L590-V594 PolarHBondContact O-N 3.01Å; M591-V594 PolarHBondContact O-N 3.2Å; V594-R596 VanDerWaalsContact C-N 3.26Å; V594-R596 PolarHBondContact O-N 2.82Å; V594-T597 PolarHBondContact O-N 3.39Å; V594-T597 PolarHBondContact O-OG1 3.47Å; V594-I598 HydrophobicContact CG1-CD1 3.76Å; V594-I598 WeakPolarHBondContact O-CD1 3.47Å; V594-I598 VanDerWaalsContact O-CG1 3.29Å; V594-I598 WeakPolarHBondContact O-CG1 3.29Å; V594-I598 PolarHBondContact O-N 3.34Å
595L55.9Low53.3Low49 Ų4994.4 Ų94.426%0.25746%0.464SS..Hα-helixtrans-69.3-22.1175.4-71166.3000112.7M591 Q603M591-L595 HydrophobicContact CB-CD1 4.27Å; M591-L595 WeakPolarHBondContact O-CB 3.39Å; M591-L595 WeakPolarHBondContact O-CD1 3.5Å; M591-L595 WeakPolarHBondContact O-CG 3.36Å; M591-L595 PolarHBondContact O-N 2.88Å; L595-Q603 HydrophobicContact CD2-CG 3.96Å; L595-Q603 PolarHBondContact O-NE2 3.32Å
596R57.9Low53.6Low211 Ų21196.3 Ų96.380%0.79647%0.47SS*.Hα-helixtrans-79.9-24.6174.4-86.5178.8177.5169.60.6113.7P592 F593 V594P592-R596 WeakPolarHBondContact O-CB 3.24Å; P592-R596 WeakPolarHBondContact O-CG 2.94Å; P592-R596 PolarHBondContact O-N 3.27Å; F593-R596 PolarHBondContact O-N 3.4Å; V594-R596 VanDerWaalsContact C-N 3.26Å; V594-R596 PolarHBondContact O-N 2.82Å
597T57.1Low53.7Low109 Ų10995.1 Ų95.167%0.66946%0.456SS*.Hα-helixtrans-90.3-13.3-179.654.20000113.1F593 V594F593-T597 PolarHBondContact O-N 3.27Å; V594-T597 PolarHBondContact O-N 3.39Å; V594-T597 PolarHBondContact O-OG1 3.47Å
598I57.8Low53.9Low35 Ų3594.9 Ų94.918%0.17945%0.453CS..SBendtrans-98132.4-178.3-61.4167.4000110.8V579 V594 W602 L607V579-I598 HydrophobicContact CG2-CD1 4.29Å; V594-I598 HydrophobicContact CG1-CD1 3.76Å; V594-I598 WeakPolarHBondContact O-CD1 3.47Å; V594-I598 VanDerWaalsContact O-CG1 3.29Å; V594-I598 WeakPolarHBondContact O-CG1 3.29Å; V594-I598 PolarHBondContact O-N 3.34Å; I598-W602 HydrophobicContact CG2-CB 3.95Å; I598-L607 HydrophobicContact CD1-CD2 4.4Å
599P56Low54.2Low90 Ų9090.2 Ų90.258%0.58443%0.43SS*.  trans-62.8135.6177.219.8-28.7000113.5Q601 W602P599-Q601 PolarHBondContact O-N 2.92Å; P599-W602 WeakPolarHBondContact O-CB 3.39Å; P599-W602 PolarHBondContact O-N 3.18Å
600L53.4Low54.8Low133 Ų13384.5 Ų84.570%0.69640%0.401SS*.Hα-helixtrans-47.9-29.5-175.8-89139.7000115.7W602L600-W602 VanDerWaalsContact C-N 3.33Å
601Q50Low55.4Low166 Ų16683.8 Ų83.878%0.77640%0.397SS*.Hα-helixtrans-66.2-35.6178.9-153.2104-11.800112.1P599P599-Q601 PolarHBondContact O-N 2.92Å
602W50.3Low56.5Low118 Ų11882.2 Ų82.245%0.44739%0.39SS..Hα-helixtrans-78.8-27.1-178-113.176.4000112.6S576 I598 P599 L600 L607S576-W602 VanDerWaalsContact OG-CH2 3.26Å; S576-W602 WeakPolarHBondContact OG-CH2 3.49Å; S576-W602 WeakPolarHBondContact OG-CZ3 3.36Å; I598-W602 HydrophobicContact CG2-CB 3.95Å; P599-W602 WeakPolarHBondContact O-CB 3.39Å; P599-W602 PolarHBondContact O-N 3.18Å; L600-W602 VanDerWaalsContact C-N 3.33Å; W602-L607 HydrophobicContact CE3-CD1 4.24Å; W602-L607 HydrophobicContact CZ3-CD1 4.41Å
603Q54.1Low57.4Low28 Ų2878.9 Ų78.913%0.13137%0.368CS..Iπ-helixtrans-62.5-57.3176.8-93.4169.8-17.700112.2L595 Q605 L608L595-Q603 HydrophobicContact CD2-CG 3.96Å; L595-Q603 PolarHBondContact O-NE2 3.32Å; Q603-Q605 VanDerWaalsContact C-N 3.32Å; Q603-Q605 PolarHBondContact O-N 3.27Å; Q603-L608 HydrophobicContact CB-CD1 3.61Å; Q603-L608 HydrophobicContact CG-CD1 4.13Å; Q603-L608 WeakPolarHBondContact O-CD1 3.4Å
604K48.8Very low58.2Low167 Ų16774 Ų7473%0.72635%0.347SS*.Iπ-helixtrans-64.2-25.2-165.9-79.3-176.8174.9179.70115.9
605Q50.9Low59Low166 Ų16673.5 Ų73.578%0.77635%0.345SS*.Iπ-helixtrans-105.9-22.6-167-69.9-171-7.500115.7Q603Q603-Q605 VanDerWaalsContact C-N 3.32Å; Q603-Q605 PolarHBondContact O-N 3.27Å
606R54.2Low60.2Low180 Ų18071.1 Ų71.168%0.67933%0.333SS*.Iπ-helixtrans-131.7-39.6-170.6-80.2-177.5174.4175-1.8115.6
607L55.1Low61.1Low7 Ų762.4 Ų62.44%0.03731%0.306CS..Iπ-helixtrans-81.7-63.4-176-97.573.4000111.9V579 I598 W602 P609 S610 S611V579-L607 HydrophobicContact CB-CD2 3.85Å; V579-L607 HydrophobicContact CB-CG 4.28Å; V579-L607 HydrophobicContact CG1-CD2 3.27Å; V579-L607 HydrophobicContact CG1-CG 3.73Å; V579-L607 HydrophobicContact CG2-CD2 4Å; I598-L607 HydrophobicContact CD1-CD2 4.4Å; W602-L607 HydrophobicContact CE3-CD1 4.24Å; W602-L607 HydrophobicContact CZ3-CD1 4.41Å; L607-P609 VanDerWaalsContact C-CD 3.46Å; L607-P609 VanDerWaalsContact O-N 3.15Å; L607-S610 PolarHBondContact O-N 3.25Å; L607-S611 PolarHBondContact O-N 3.3Å; L607-S611 PolarHBondContact O-OG 3.28Å
608L55.3Low61.9Low13 Ų1358.9 Ų58.97%0.06829%0.291CS..Hα-helixtrans-52.8-40.3-165.2-83.8121.6000116.5Q603 L612 L627 A632Q603-L608 HydrophobicContact CB-CD1 3.61Å; Q603-L608 HydrophobicContact CG-CD1 4.13Å; Q603-L608 WeakPolarHBondContact O-CD1 3.4Å; L608-L612 PolarHBondContact O-N 3.26Å; L608-L612 VanDerWaalsContact O-N 3.15Å; L608-L627 HydrophobicContact CD2-CD2 4.36Å; L608-A632 HydrophobicContact CB-CB 4.1Å; L608-A632 HydrophobicContact CD2-CB 3.84Å
609P55.9Low62.9Low17 Ų1758 Ų5811%0.1129%0.291CS..Hα-helixtrans-67.5-39.8178.8-19.331.9000112.6L607 L612 H613 N636L607-P609 VanDerWaalsContact C-CD 3.46Å; L607-P609 VanDerWaalsContact O-N 3.15Å; P609-L612 PolarHBondContact O-N 2.96Å; P609-H613 PolarHBondContact O-N 3.29Å; P609-H613 PolarHBondContact O-ND1 3.21Å; P609-N636 HydrophobicContact CB-CB 4.15Å
610S63.5Low64Low9 Ų956.7 Ų56.76%0.06328%0.276CS..Hα-helixtrans-68.4-40.1-179.7-57.50000110.7L607 L612 H613 M614L607-S610 PolarHBondContact O-N 3.25Å; S610-L612 VanDerWaalsContact C-N 3.34Å; S610-L612 PolarHBondContact O-N 3.03Å; S610-H613 PolarHBondContact O-N 3.3Å; S610-M614 PolarHBondContact O-N 3.1Å
611S66.5Low65.4Low5 Ų553.5 Ų53.54%0.03526%0.257CS..Hα-helixtrans-57.8-43.5173.9-35.30000113.2E583 L607 H613 M614 A615E583-S611 WeakPolarHBondContact OE1-CB 3.21Å; E583-S611 PolarHBondContact OE1-OG 3.4Å; E583-S611 WeakPolarHBondContact OE2-CA 3.26Å; E583-S611 WeakPolarHBondContact OE2-CB 3.47Å; E583-S611 PolarHBondContact OE2-N 2.98Å; E583-S611 VanDerWaalsContact OE2-N 3.16Å; E583-S611 PolarHBondContact OE2-OG 3.08Å; L607-S611 PolarHBondContact O-N 3.3Å; L607-S611 PolarHBondContact O-OG 3.28Å; S611-H613 PolarHBondContact O-N 2.65Å; S611-M614 PolarHBondContact O-N 3.47Å; S611-A615 VanDerWaalsContact O-CB 3.25Å; S611-A615 WeakPolarHBondContact O-CB 3.33Å; S611-A615 PolarHBondContact O-N 3.37Å
612L75.1Confident66.7Low2 Ų250.6 Ų50.61%0.0125%0.247CC..Hα-helixtrans-66.4-39.3-177.1-174.168.8000112.2L608 P609 S610 S616 V624 L627 L628 A632 P634 A648L608-L612 PolarHBondContact O-N 3.26Å; L608-L612 VanDerWaalsContact O-N 3.15Å; P609-L612 PolarHBondContact O-N 2.96Å; S610-L612 VanDerWaalsContact C-N 3.34Å; S610-L612 PolarHBondContact O-N 3.03Å; L612-S616 WeakPolarHBondContact O-CB 3.37Å; L612-S616 PolarHBondContact O-N 3.35Å; L612-S616 PolarHBondContact O-OG 3.15Å; L612-V624 HydrophobicContact CD1-CG1 3.96Å; L612-L627 HydrophobicContact CB-CD1 4.49Å; L612-L627 HydrophobicContact CD1-CB 4.16Å; L612-L628 HydrophobicContact CD1-CD2 4.14Å; L612-L628 HydrophobicContact CD1-CG 4.06Å; L612-L628 HydrophobicContact CD2-CD2 4.17Å; L612-A632 HydrophobicContact CB-CB 4.21Å; L612-A632 HydrophobicContact CD1-CB 4.42Å; L612-A632 HydrophobicContact CD2-CB 4.05Å; L612-A632 HydrophobicContact CG-CB 4.48Å; L612-P634 HydrophobicContact CD2-CB 4.15Å; L612-A648 HydrophobicContact CG-CB 4.36Å
613H75.2Confident67.7Low1 Ų146.8 Ų46.81%0.00524%0.236CC..Hα-helixtrans-68.7-43.1179.2-71.878.6000111.9P609 S610 S611 S616 A617 N636 L642 M646 A648 L651P609-H613 PolarHBondContact O-N 3.29Å; P609-H613 PolarHBondContact O-ND1 3.21Å; S610-H613 PolarHBondContact O-N 3.3Å; S611-H613 PolarHBondContact O-N 2.65Å; H613-S616 PolarHBondContact O-N 3.2Å; H613-A617 WeakPolarHBondContact O-CB 3.35Å; H613-A617 PolarHBondContact O-N 2.97Å; H613-N636 PolarHBondContact CE1-O 3.48Å; H613-N636 VanDerWaalsContact CE1-O 3.25Å; H613-L642 HydrophobicContact CB-CD1 3.32Å; H613-M646 PolarHBondContact CD2-O 3.09Å; H613-M646 PolarHBondContact NE2-O 3.1Å; H613-A648 PolarHBondContact CD2-N 3.33Å; H613-L651 HydrophobicContact CB-CD1 3.97Å
614M71.9Confident68.7Low33 Ų3345.5 Ų45.516%0.16323%0.23CC..Hα-helixtrans-68.1-40.7177.6-64.7-171.3-14200111.5E583 R584 S610 S611 S616 A617 G618E583-M614 HydrophobicContact CB-CB 3.93Å; E583-M614 HydrophobicContact CB-CG 4.5Å; E583-M614 HydrophobicContact CB-SD 3.94Å; E583-M614 WeakPolarHBondContact O-CB 3.35Å; R584-M614 HydrophobicContact CG-SD 3.97Å; S610-M614 PolarHBondContact O-N 3.1Å; S611-M614 PolarHBondContact O-N 3.47Å; M614-S616 VanDerWaalsContact C-N 3.32Å; M614-S616 PolarHBondContact O-N 2.54Å; M614-A617 PolarHBondContact O-N 3.12Å; M614-G618 PolarHBondContact O-N 2.73Å
615A74.7Confident70.3Confident4 Ų444 Ų443%0.03322%0.224CC..Hα-helixtrans-61.6-39174.100000112.5S611 G618 G619 H620 V623 V624 L627S611-A615 VanDerWaalsContact O-CB 3.25Å; S611-A615 WeakPolarHBondContact O-CB 3.33Å; S611-A615 PolarHBondContact O-N 3.37Å; A615-G618 PolarHBondContact O-N 2.7Å; A615-G619 PolarHBondContact O-N 2.86Å; A615-H620 PolarHBondContact O-N 3.44Å; A615-H620 VanDerWaalsContact O-N 3.08Å; A615-V623 HydrophobicContact CB-CB 4.22Å; A615-V623 HydrophobicContact CB-CG1 3.79Å; A615-V624 HydrophobicContact CB-CG2 3.76Å; A615-L627 HydrophobicContact CB-CD1 4.05Å
616S80.7Confident71.3Confident0 Ų039.2 Ų39.20%021%0.213CC..Hα-helixtrans-72.2-33.9177-550000112.7L612 H613 M614 A648 I660L612-S616 WeakPolarHBondContact O-CB 3.37Å; L612-S616 PolarHBondContact O-N 3.35Å; L612-S616 PolarHBondContact O-OG 3.15Å; H613-S616 PolarHBondContact O-N 3.2Å; M614-S616 VanDerWaalsContact C-N 3.32Å; M614-S616 PolarHBondContact O-N 2.54Å; S616-A648 VanDerWaalsContact CB-O 3.29Å; S616-A648 WeakPolarHBondContact CB-O 3.45Å; S616-A648 WeakPolarHBondContact OG-CB 3.47Å; S616-I660 WeakPolarHBondContact O-CD1 3.34Å
617A77.6Confident72.2Confident28 Ų2831.3 Ų31.323%0.23118%0.184CC..Hα-helixtrans-65.7-38.9171.200000111.7H613 M614 G619 L651 N655 W657H613-A617 WeakPolarHBondContact O-CB 3.35Å; H613-A617 PolarHBondContact O-N 2.97Å; M614-A617 PolarHBondContact O-N 3.12Å; A617-G619 VanDerWaalsContact C-N 3.32Å; A617-G619 PolarHBondContact O-N 3.49Å; A617-L651 HydrophobicContact CB-CB 4.13Å; A617-L651 HydrophobicContact CB-CD1 4.34Å; A617-N655 PolarHBondContact O-ND2 2.93Å; A617-W657 PolarHBondContact O-NE1 3.33Å
618G73.3Confident73.2Confident35 Ų3533.2 Ų33.236%0.36119%0.194SC..THydrogen-bonded Turntrans-77.6-6.5179.500000115.7M614 A615 H620M614-G618 PolarHBondContact O-N 2.73Å; A615-G618 PolarHBondContact O-N 2.7Å; G618-H620 VanDerWaalsContact C-N 3.31Å; G618-H620 PolarHBondContact O-N 3.29Å
619G79.1Confident74.2Confident17 Ų1737 Ų3718%0.17523%0.227CC..THydrogen-bonded Turntrans77.113.5-178.800000114.2A615 A617 K621A615-G619 PolarHBondContact O-N 2.86Å; A617-G619 VanDerWaalsContact C-N 3.32Å; A617-G619 PolarHBondContact O-N 3.49Å; G619-K621 PolarHBondContact O-N 3.33Å
620H79.1Confident74.8Confident61 Ų6138.6 Ų38.628%0.28225%0.246SC..  trans-83.781-170.9-59.5-48000112.5G586 A615 G618 D622 V623 V624G586-H620 VanDerWaalsContact CA-NE2 3.3Å; G586-H620 WeakPolarHBondContact CA-NE2 3.48Å; A615-H620 PolarHBondContact O-N 3.44Å; A615-H620 VanDerWaalsContact O-N 3.08Å; G618-H620 VanDerWaalsContact C-N 3.31Å; G618-H620 PolarHBondContact O-N 3.29Å; H620-D622 VanDerWaalsContact C-N 3.29Å; H620-D622 PolarHBondContact O-N 3.38Å; H620-V623 HydrophobicContact CB-CB 3.95Å; H620-V623 HydrophobicContact CB-CG2 3.97Å; H620-V623 PolarHBondContact O-N 2.96Å; H620-V623 VanDerWaalsContact O-N 3.15Å; H620-V624 WeakPolarHBondContact O-CG2 3.44Å; H620-V624 PolarHBondContact O-N 3.49Å
621K82Confident75Confident67 Ų6741.1 Ų41.129%0.29127%0.274SS..Hα-helixtrans-46-47.6-179.5-172.9176.7-175.9155.90113.7G619 V624 K625 E659 D662 V663G619-K621 PolarHBondContact O-N 3.33Å; K621-V624 PolarHBondContact O-N 2.95Å; K621-K625 WeakPolarHBondContact O-CB 3.37Å; K621-K625 PolarHBondContact O-N 2.94Å; K621-E659 HydrophobicContact CD-CB 4.44Å; K621-D662 IonicContact NZ-OD2 3.05Å; K621-D662 PolarHBondContact NZ-OD2 2.86Å; K621-V663 HydrophobicContact CD-CG2 4.36Å; K621-V663 HydrophobicContact CG-CG2 3.61Å
622D77.9Confident75.1Confident104 Ų10441.2 Ų41.256%0.55628%0.275SS*.Hα-helixtrans-71.4-37.3-175.8-65.3-32.6000113.2H620 K625 A626H620-D622 VanDerWaalsContact C-N 3.29Å; H620-D622 PolarHBondContact O-N 3.38Å; D622-K625 PolarHBondContact O-N 3.34Å; D622-A626 WeakPolarHBondContact O-CB 3.42Å; D622-A626 PolarHBondContact O-N 3.26Å
623V70.9Confident74.8Confident38 Ų3843 Ų4323%0.2329%0.288CS..Hα-helixtrans-69.1-42.5176.31800000109.8A615 H620 K625 A626 L627A615-V623 HydrophobicContact CB-CB 4.22Å; A615-V623 HydrophobicContact CB-CG1 3.79Å; H620-V623 HydrophobicContact CB-CB 3.95Å; H620-V623 HydrophobicContact CB-CG2 3.97Å; H620-V623 PolarHBondContact O-N 2.96Å; H620-V623 VanDerWaalsContact O-N 3.15Å; V623-K625 VanDerWaalsContact C-N 3.31Å; V623-K625 PolarHBondContact O-N 3.11Å; V623-A626 PolarHBondContact O-N 2.91Å; V623-L627 HydrophobicContact CG1-CD1 3.82Å; V623-L627 HydrophobicContact CG1-CG 4.23Å; V623-L627 WeakPolarHBondContact O-CB 3.31Å; V623-L627 VanDerWaalsContact O-CG 3.24Å; V623-L627 WeakPolarHBondContact O-CG 3.44Å; V623-L627 PolarHBondContact O-N 2.8Å
624V75.6Confident74.4Confident1 Ų144.6 Ų44.61%0.00630%0.298CS..Hα-helixtrans-58.7-45.2173.6173.90000110.1L612 A615 H620 K621 A626 L627 L628 V663L612-V624 HydrophobicContact CD1-CG1 3.96Å; A615-V624 HydrophobicContact CB-CG2 3.76Å; H620-V624 WeakPolarHBondContact O-CG2 3.44Å; H620-V624 PolarHBondContact O-N 3.49Å; K621-V624 PolarHBondContact O-N 2.95Å; V624-A626 PolarHBondContact O-N 3.42Å; V624-L627 PolarHBondContact O-N 3.23Å; V624-L628 HydrophobicContact CG1-CD1 3.78Å; V624-L628 HydrophobicContact CG1-CG 4.33Å; V624-L628 WeakPolarHBondContact O-CB 3.43Å; V624-L628 VanDerWaalsContact O-CG 3.23Å; V624-L628 WeakPolarHBondContact O-CG 3.36Å; V624-L628 PolarHBondContact O-N 2.86Å; V624-V663 HydrophobicContact CG1-CG1 3.99Å
625K81.1Confident74.1Confident137 Ų13748.5 Ų48.560%0.59631%0.312SS*.Hα-helixtrans-61-43.8175.7-171.3178.3-178.2178.80112.5K621 D622 V623 A629 V663K621-K625 WeakPolarHBondContact O-CB 3.37Å; K621-K625 PolarHBondContact O-N 2.94Å; D622-K625 PolarHBondContact O-N 3.34Å; V623-K625 VanDerWaalsContact C-N 3.31Å; V623-K625 PolarHBondContact O-N 3.11Å; K625-A629 VanDerWaalsContact O-CB 3.31Å; K625-A629 WeakPolarHBondContact O-CB 3.2Å; K625-A629 PolarHBondContact O-N 2.81Å; K625-V663 HydrophobicContact CB-CG1 4.31Å
626A72.5Confident73.3Confident65 Ų6551.6 Ų51.654%0.53733%0.328SS..Hα-helixtrans-66.6-39.7178.200000112.5D622 V623 V624 G630D622-A626 WeakPolarHBondContact O-CB 3.42Å; D622-A626 PolarHBondContact O-N 3.26Å; V623-A626 PolarHBondContact O-N 2.91Å; V624-A626 PolarHBondContact O-N 3.42Å; A626-G630 PolarHBondContact O-N 3.02Å
627L73.3Confident72Confident14 Ų1452.6 Ų52.67%0.07334%0.338CS..Hα-helixtrans-69.9-42.1177.6-71.8171.1000112L608 L612 A615 V623 V624 G630 G631 A632L608-L627 HydrophobicContact CD2-CD2 4.36Å; L612-L627 HydrophobicContact CB-CD1 4.49Å; L612-L627 HydrophobicContact CD1-CB 4.16Å; A615-L627 HydrophobicContact CB-CD1 4.05Å; V623-L627 HydrophobicContact CG1-CD1 3.82Å; V623-L627 HydrophobicContact CG1-CG 4.23Å; V623-L627 WeakPolarHBondContact O-CB 3.31Å; V623-L627 VanDerWaalsContact O-CG 3.24Å; V623-L627 WeakPolarHBondContact O-CG 3.44Å; V623-L627 PolarHBondContact O-N 2.8Å; V624-L627 PolarHBondContact O-N 3.23Å; L627-G630 CarbonylContact O-C 3.57Å; L627-G630 WeakPolarHBondContact O-CA 3.5Å; L627-G630 PolarHBondContact O-N 3.33Å; L627-G630 VanDerWaalsContact O-N 3.13Å; L627-G631 PolarHBondContact O-N 3.06Å; L627-A632 HydrophobicContact CB-CB 4.07Å; L627-A632 WeakPolarHBondContact O-CB 3.22Å; L627-A632 PolarHBondContact O-N 2.91Å
628L75.7Confident70.6Confident47 Ų4758.4 Ų58.425%0.24636%0.364CS..Hα-helixtrans-62.7-43173.9-71.1169.7000110.9L612 V624 G630 G631 A632 P634 V663L612-L628 HydrophobicContact CD1-CD2 4.14Å; L612-L628 HydrophobicContact CD1-CG 4.06Å; L612-L628 HydrophobicContact CD2-CD2 4.17Å; V624-L628 HydrophobicContact CG1-CD1 3.78Å; V624-L628 HydrophobicContact CG1-CG 4.33Å; V624-L628 WeakPolarHBondContact O-CB 3.43Å; V624-L628 VanDerWaalsContact O-CG 3.23Å; V624-L628 WeakPolarHBondContact O-CG 3.36Å; V624-L628 PolarHBondContact O-N 2.86Å; L628-G630 PolarHBondContact O-N 2.95Å; L628-G631 PolarHBondContact O-N 3.3Å; L628-A632 WeakPolarHBondContact CD2-O 3.26Å; L628-P634 HydrophobicContact CD2-CG 4.5Å; L628-V663 HydrophobicContact CD1-CG1 3.59Å
629A77.9Confident69.4Low91 Ų9157.3 Ų57.375%0.75235%0.351SS*.Hα-helixtrans-63.1-30.6172.800000112.8K625 G631K625-A629 VanDerWaalsContact O-CB 3.31Å; K625-A629 WeakPolarHBondContact O-CB 3.2Å; K625-A629 PolarHBondContact O-N 2.81Å; A629-G631 PolarHBondContact O-N 2.87Å
630G66.5Low67.8Low51 Ų5161.4 Ų61.453%0.52638%0.377SS..THydrogen-bonded Turntrans-77.30.7172.900000115.1A626 L627 L628A626-G630 PolarHBondContact O-N 3.02Å; L627-G630 CarbonylContact O-C 3.57Å; L627-G630 WeakPolarHBondContact O-CA 3.5Å; L627-G630 PolarHBondContact O-N 3.33Å; L627-G630 VanDerWaalsContact O-N 3.13Å; L628-G630 PolarHBondContact O-N 2.95Å
631G69.2Low66.3Low62 Ų6265.3 Ų65.364%0.63939%0.394SS*.THydrogen-bonded Turntrans90.618.5177.700000115.3L627 L628 A629 S633L627-G631 PolarHBondContact O-N 3.06Å; L628-G631 PolarHBondContact O-N 3.3Å; A629-G631 PolarHBondContact O-N 2.87Å; G631-S633 PolarHBondContact O-N 3.27Å
632A67.3Low64.9Low7 Ų764.2 Ų64.26%0.05839%0.391CS..  trans-67.5128.4171.500000110.7L608 L612 L627 L628L608-A632 HydrophobicContact CB-CB 4.1Å; L608-A632 HydrophobicContact CD2-CB 3.84Å; L612-A632 HydrophobicContact CB-CB 4.21Å; L612-A632 HydrophobicContact CD1-CB 4.42Å; L612-A632 HydrophobicContact CD2-CB 4.05Å; L612-A632 HydrophobicContact CG-CB 4.48Å; L627-A632 HydrophobicContact CB-CB 4.07Å; L627-A632 WeakPolarHBondContact O-CB 3.22Å; L627-A632 PolarHBondContact O-N 2.91Å; L628-A632 WeakPolarHBondContact CD2-O 3.26Å
633S68.7Low63.8Low41 Ų4167.4 Ų67.429%0.28740%0.403SS..  trans-89.5126.7176.460.70000111.3G631 Y635 N636G631-S633 PolarHBondContact O-N 3.27Å; S633-Y635 PolarHBondContact O-N 3.43Å; S633-N636 PolarHBondContact OG-ND2 2.98Å; S633-N636 VanDerWaalsContact OG-ND2 3.07Å
634P68Low63.3Low33 Ų3368.8 Ų68.821%0.21441%0.408CS..THydrogen-bonded Turntrans-69.4-11.1176.826.9-33.7000114.2L612 L628 L668L612-P634 HydrophobicContact CD2-CB 4.15Å; L628-P634 HydrophobicContact CD2-CG 4.5Å; P634-L668 HydrophobicContact CB-CD1 4.34Å; P634-L668 HydrophobicContact CG-CD1 3.57Å
635Y65.2Low62.8Low116 Ų11668.9 Ų68.946%0.45541%0.41SS..THydrogen-bonded Turntrans-89.7-14.9-173.4-171.3-106.3000114.4S633 G637 K671S633-Y635 PolarHBondContact O-N 3.43Å; Y635-G637 VanDerWaalsContact C-N 3.34Å; Y635-G637 PolarHBondContact O-N 3.38Å; Y635-K671 HydrophobicContact CD2-CD 4.27Å; Y635-K671 HydrophobicContact CE2-CD 4.07Å
636N58.8Low62.4Low69 Ų6962.6 Ų62.637%0.36938%0.383SS..  trans-78.580-173-79.6-2.4000112.1P609 H613 S633 L638P609-N636 HydrophobicContact CB-CB 4.15Å; H613-N636 PolarHBondContact CE1-O 3.48Å; H613-N636 VanDerWaalsContact CE1-O 3.25Å; S633-N636 PolarHBondContact OG-ND2 2.98Å; S633-N636 VanDerWaalsContact OG-ND2 3.07Å; N636-L638 PolarHBondContact O-N 3.08Å
637G51.9Low62.8Low21 Ų2160.6 Ų60.622%0.21636%0.363CS..THydrogen-bonded Turntrans-71.414.6170.600000115Y635Y635-G637 VanDerWaalsContact C-N 3.34Å; Y635-G637 PolarHBondContact O-N 3.38Å
638L48.2Very low63.1Low149 Ų14959.9 Ų59.978%0.7836%0.359SS*.THydrogen-bonded Turntrans-98.914.2-175.9-102.2143.7000113.4N636 S640N636-L638 PolarHBondContact O-N 3.08Å; L638-S640 PolarHBondContact O-N 3.32Å; L638-S640 VanDerWaalsContact O-N 3.11Å
639S47.8Very low63.6Low13 Ų1358.3 Ų58.39%0.09135%0.351CS..  trans-67.2116.6169.966.90000108.6F641S639-F641 PolarHBondContact O-N 2.76Å
640S45.7Very low63.9Low103 Ų10354.1 Ų54.172%0.7232%0.316SS*.THydrogen-bonded Turntrans-60.8-6.1175.152.60000113.3L638L638-S640 PolarHBondContact O-N 3.32Å; L638-S640 VanDerWaalsContact O-N 3.11Å
641F47.3Very low64.7Low142 Ų14252.3 Ų52.362%0.62329%0.294SS*.THydrogen-bonded Turntrans-99.7-16.8-168.2-75.5-83.1000114.6S639S639-F641 PolarHBondContact O-N 2.76Å
642L53.5Low65.6Low44 Ų4449.4 Ų49.423%0.2326%0.264CS..  trans-109.3102.7174.4-71160.3000108.4H613 D644 G645 L651H613-L642 HydrophobicContact CB-CD1 3.32Å; L642-D644 PolarHBondContact O-N 3.44Å; L642-D644 VanDerWaalsContact O-N 3.16Å; L642-G645 PolarHBondContact O-N 2.97Å; L642-L651 HydrophobicContact CD1-CD1 4.28Å
643Q55Low66.6Low172 Ų17249 Ų4980%0.80426%0.261SS*.THydrogen-bonded Turntrans-52.7-35.3178.5-80.8178.2-24.800111.4G645Q643-G645 VanDerWaalsContact C-N 3.3Å; Q643-G645 PolarHBondContact O-N 3.29Å
644D59.5Low67.5Low66 Ų6649.6 Ų49.635%0.35326%0.258SS..THydrogen-bonded Turntrans-70.7-16-172.6-59.66.8000114.8L642 M646 K654 T676L642-D644 PolarHBondContact O-N 3.44Å; L642-D644 VanDerWaalsContact O-N 3.16Å; D644-M646 HydrophobicContact CB-CG 4.07Å; D644-M646 PolarHBondContact O-N 3.44Å; D644-K654 IonicContact OD2-NZ 3.73Å; D644-T676 WeakPolarHBondContact O-CG2 3.43Å
645G66.5Low68.3Low4 Ų451.3 Ų51.34%0.04127%0.265CS..  trans61.515.8177.700000116L642 Q643 S673L642-G645 PolarHBondContact O-N 2.97Å; Q643-G645 VanDerWaalsContact C-N 3.3Å; Q643-G645 PolarHBondContact O-N 3.29Å; G645-S673 PolarHBondContact O-OG 2.97Å
646M72.7Confident69.4Low4 Ų446.6 Ų46.62%0.0225%0.252CS..  trans-75.5138179.8-68.6-68.3-171.100110.5H613 D644 Q650 L651 T676 V683 F715H613-M646 PolarHBondContact CD2-O 3.09Å; H613-M646 PolarHBondContact NE2-O 3.1Å; D644-M646 HydrophobicContact CB-CG 4.07Å; D644-M646 PolarHBondContact O-N 3.44Å; M646-Q650 HydrophobicContact CB-CB 4.08Å; M646-Q650 HydrophobicContact CG-CB 4.5Å; M646-Q650 HydrophobicContact SD-CB 3.84Å; M646-Q650 HydrophobicContact SD-CG 4.4Å; M646-Q650 PolarHBondContact SD-OE1 3.34Å; M646-L651 HydrophobicContact CB-CD2 3.91Å; M646-L651 HydrophobicContact CB-CG 3.85Å; M646-L651 HydrophobicContact CG-CD2 4.47Å; M646-T676 HydrophobicContact CE-CG2 3.89Å; M646-T676 HydrophobicContact CG-CG2 4.4Å; M646-T676 HydrophobicContact SD-CG2 3.8Å; M646-V683 HydrophobicContact CE-CG2 4.01Å; M646-V683 HydrophobicContact SD-CG2 4.14Å; M646-F715 HydrophobicContact CE-CD1 3.85Å; M646-F715 HydrophobicContact CE-CD2 3.33Å; M646-F715 HydrophobicContact CE-CE1 3.77Å; M646-F715 HydrophobicContact CE-CE2 3.25Å; M646-F715 HydrophobicContact CE-CG 3.61Å; M646-F715 HydrophobicContact CE-CZ 3.47Å; M646-F715 VanDerWaalsContact CE-CZ 3.47Å
647L79.8Confident70.8Confident23 Ų2348.5 Ų48.512%0.1225%0.254CS..  trans-67.3158169-81.678.1000110.2L649 Q650 L651 S673L647-L649 PolarHBondContact O-N 2.96Å; L647-Q650 HydrophobicContact CB-CG 4.25Å; L647-Q650 WeakPolarHBondContact O-CB 3.38Å; L647-Q650 PolarHBondContact O-N 2.9Å; L647-L651 PolarHBondContact O-N 2.79Å; L647-S673 VanDerWaalsContact CD1-CA 3.44Å
648A79.1Confident72.5Confident0 Ų049.9 Ų49.90%026%0.259CS..Hα-helixtrans-46.2-46.4172.900000113L612 H613 S616 Q650 L651 A652L612-A648 HydrophobicContact CG-CB 4.36Å; H613-A648 PolarHBondContact CD2-N 3.33Å; S616-A648 VanDerWaalsContact CB-O 3.29Å; S616-A648 WeakPolarHBondContact CB-O 3.45Å; S616-A648 WeakPolarHBondContact OG-CB 3.47Å; A648-Q650 PolarHBondContact O-N 3.3Å; A648-L651 PolarHBondContact O-N 2.9Å; A648-A652 PolarHBondContact O-N 3.35Å; A648-A652 VanDerWaalsContact O-N 3.1Å
649L86.4Confident74.3Confident13 Ų1348.3 Ų48.37%0.06825%0.247CC..Hα-helixtrans-68.1-31.1178.5-174.563.9000113.4L647 A652 A653 L661 I664 W669 A680 F692L647-L649 PolarHBondContact O-N 2.96Å; L649-A652 WeakPolarHBondContact O-CB 3.37Å; L649-A652 PolarHBondContact O-N 3.01Å; L649-A653 WeakPolarHBondContact O-CB 3.47Å; L649-A653 PolarHBondContact O-N 3.14Å; L649-L661 HydrophobicContact CD1-CD2 3.76Å; L649-I664 HydrophobicContact CB-CD1 4.11Å; L649-I664 HydrophobicContact CD1-CD1 4.02Å; L649-W669 HydrophobicContact CD2-CB 4.29Å; L649-W669 HydrophobicContact CD2-CG 4.11Å; L649-A680 HydrophobicContact CD2-CB 4.08Å; L649-A680 HydrophobicContact CG-CB 3.88Å; L649-F692 HydrophobicContact CD1-CZ 4.27Å
650Q85.6Confident76.1Confident3 Ų347.7 Ų47.71%0.01424%0.243CC..Hα-helixtrans-74.2-33.6176.6-67.4171.2-24.300112M646 L647 A648 A652 A653 K654 L678 V683M646-Q650 HydrophobicContact CB-CB 4.08Å; M646-Q650 HydrophobicContact CG-CB 4.5Å; M646-Q650 HydrophobicContact SD-CB 3.84Å; M646-Q650 HydrophobicContact SD-CG 4.4Å; M646-Q650 PolarHBondContact SD-OE1 3.34Å; L647-Q650 HydrophobicContact CB-CG 4.25Å; L647-Q650 WeakPolarHBondContact O-CB 3.38Å; L647-Q650 PolarHBondContact O-N 2.9Å; A648-Q650 PolarHBondContact O-N 3.3Å; Q650-A652 VanDerWaalsContact C-N 3.33Å; Q650-A653 WeakPolarHBondContact O-CB 3.48Å; Q650-A653 PolarHBondContact O-N 3.17Å; Q650-K654 WeakPolarHBondContact O-CB 3.35Å; Q650-K654 PolarHBondContact O-N 3.26Å; Q650-L678 PolarHBondContact NE2-O 3.38Å; Q650-V683 HydrophobicContact CB-CG2 4.44Å
651L83.1Confident77.9Confident14 Ų1443.3 Ų43.37%0.07321%0.211CC..Hα-helixtrans-66.3-38.1171.7-69.7168.8000111.1H613 A617 L642 M646 L647 A648 K654 N655H613-L651 HydrophobicContact CB-CD1 3.97Å; A617-L651 HydrophobicContact CB-CB 4.13Å; A617-L651 HydrophobicContact CB-CD1 4.34Å; L642-L651 HydrophobicContact CD1-CD1 4.28Å; M646-L651 HydrophobicContact CB-CD2 3.91Å; M646-L651 HydrophobicContact CB-CG 3.85Å; M646-L651 HydrophobicContact CG-CD2 4.47Å; L647-L651 PolarHBondContact O-N 2.79Å; A648-L651 PolarHBondContact O-N 2.9Å; L651-K654 PolarHBondContact O-N 3.5Å; L651-N655 PolarHBondContact O-N 3.34Å
652A87.3Confident79.6Confident0 Ų042.3 Ų42.30%021%0.213CC..Hα-helixtrans-62.4-44.5170.300000111.7A648 L649 Q650 K654 N655 G656 W657 I660 F692A648-A652 PolarHBondContact O-N 3.35Å; A648-A652 VanDerWaalsContact O-N 3.1Å; L649-A652 WeakPolarHBondContact O-CB 3.37Å; L649-A652 PolarHBondContact O-N 3.01Å; Q650-A652 VanDerWaalsContact C-N 3.33Å; A652-K654 PolarHBondContact O-N 3.12Å; A652-N655 PolarHBondContact O-N 3.38Å; A652-G656 PolarHBondContact O-N 3.08Å; A652-W657 HydrophobicContact CB-CB 4.37Å; A652-W657 PolarHBondContact O-N 3.2Å; A652-I660 HydrophobicContact CB-CB 3.98Å; A652-I660 HydrophobicContact CB-CD1 3.61Å; A652-I660 HydrophobicContact CB-CG1 4.36Å; A652-I660 HydrophobicContact CB-CG2 3.91Å; A652-F692 HydrophobicContact CB-CE2 4.36Å
653A88.7Confident81.1Confident0 Ų041.8 Ų41.80%021%0.211CC..Hα-helixtrans-63.3-38.6177.500000113.4L649 Q650 N655 G656 A680 V683 A684 Q689 F692L649-A653 WeakPolarHBondContact O-CB 3.47Å; L649-A653 PolarHBondContact O-N 3.14Å; Q650-A653 WeakPolarHBondContact O-CB 3.48Å; Q650-A653 PolarHBondContact O-N 3.17Å; A653-N655 VanDerWaalsContact C-N 3.33Å; A653-N655 PolarHBondContact O-N 2.93Å; A653-G656 PolarHBondContact O-N 3.22Å; A653-A680 HydrophobicContact CB-CB 3.92Å; A653-A680 VanDerWaalsContact CB-O 3.31Å; A653-A680 WeakPolarHBondContact CB-O 3.29Å; A653-V683 HydrophobicContact CB-CB 4.41Å; A653-V683 HydrophobicContact CB-CG1 4.44Å; A653-A684 HydrophobicContact CB-CB 4.29Å; A653-Q689 WeakPolarHBondContact O-CG 3.44Å; A653-F692 VanDerWaalsContact CA-CZ 3.49Å; A653-F692 HydrophobicContact CB-CD1 3.9Å; A653-F692 HydrophobicContact CB-CE1 3.33Å; A653-F692 HydrophobicContact CB-CE2 4.29Å; A653-F692 HydrophobicContact CB-CZ 3.56Å
654K87.1Confident82.3Confident53 Ų5334.2 Ų34.223%0.2318%0.176CC..Hα-helixtrans-59.1-43.8175.3172173-178.71790111.6D644 Q650 L651 A652 V683 Y687 Q689 F715D644-K654 IonicContact OD2-NZ 3.73Å; Q650-K654 WeakPolarHBondContact O-CB 3.35Å; Q650-K654 PolarHBondContact O-N 3.26Å; L651-K654 PolarHBondContact O-N 3.5Å; A652-K654 PolarHBondContact O-N 3.12Å; K654-V683 HydrophobicContact CB-CG1 3.83Å; K654-Y687 HydrophobicContact CB-CD2 4.16Å; K654-Y687 HydrophobicContact CB-CE2 4.01Å; K654-Y687 HydrophobicContact CD-CE2 4.01Å; K654-Y687 WeakPolarHBondContact CE-OH 3.23Å; K654-Y687 HydrophobicContact CG-CD2 3.96Å; K654-Y687 HydrophobicContact CG-CE2 3.51Å; K654-Q689 PolarHBondContact O-NE2 3.15Å; K654-F715 HydrophobicContact CD-CZ 4.15Å
655N85.6Confident83.2Confident68 Ų6836.8 Ų36.836%0.36419%0.19SC..Hα-helixtrans-91.6-6.2-175.6-65.5-19000113.7A617 L651 A652 A653 W657A617-N655 PolarHBondContact O-ND2 2.93Å; L651-N655 PolarHBondContact O-N 3.34Å; A652-N655 PolarHBondContact O-N 3.38Å; A653-N655 VanDerWaalsContact C-N 3.33Å; A653-N655 PolarHBondContact O-N 2.93Å; N655-W657 HydrophobicContact CB-CD2 4.43Å; N655-W657 HydrophobicContact CB-CG 4.25Å; N655-W657 HydrophobicContact CB-CZ2 4.5Å; N655-W657 VanDerWaalsContact CB-NE1 3.3Å
656G87Confident83.7Confident17 Ų1743.3 Ų43.318%0.17522%0.221CC..THydrogen-bonded Turntrans78.921.6178.600000114.5A652 A653 T658A652-G656 PolarHBondContact O-N 3.08Å; A653-G656 PolarHBondContact O-N 3.22Å; G656-T658 PolarHBondContact O-N 3.43Å
657W89.8Confident83.9Confident110 Ų11051.8 Ų51.842%0.41726%0.26SS..  trans-77.886.1-178.1-59.2134.8000112A617 A652 N655 E659 I660 F692A617-W657 PolarHBondContact O-NE1 3.33Å; A652-W657 HydrophobicContact CB-CB 4.37Å; A652-W657 PolarHBondContact O-N 3.2Å; N655-W657 HydrophobicContact CB-CD2 4.43Å; N655-W657 HydrophobicContact CB-CG 4.25Å; N655-W657 HydrophobicContact CB-CZ2 4.5Å; N655-W657 VanDerWaalsContact CB-NE1 3.3Å; W657-E659 VanDerWaalsContact C-N 3.26Å; W657-E659 PolarHBondContact O-N 3.49Å; W657-I660 HydrophobicContact CB-CD1 3.8Å; W657-I660 HydrophobicContact CB-CG1 4.15Å; W657-I660 HydrophobicContact CG-CD1 4.31Å; W657-I660 PolarHBondContact O-N 2.96Å; W657-F692 WeakPolarHBondContact O-CE2 3.21Å
658T87.1Confident83.7Confident50 Ų5052.5 Ų52.531%0.30726%0.264SS..G310 helixtrans-61.6-32.7178.653.10000112.5G656 I660 L661 E691 F692G656-T658 PolarHBondContact O-N 3.43Å; T658-I660 PolarHBondContact O-N 3.25Å; T658-I660 VanDerWaalsContact O-N 3.16Å; T658-L661 WeakPolarHBondContact O-CB 3.37Å; T658-L661 PolarHBondContact O-N 3.43Å; T658-L661 VanDerWaalsContact O-N 3.09Å; T658-E691 HydrophobicContact CG2-CB 4.2Å; T658-F692 HydrophobicContact CG2-CB 4.36Å; T658-F692 HydrophobicContact CG2-CD2 4.42Å
659E85.1Confident83.8Confident116 Ų11653.6 Ų53.654%0.54227%0.268SS..G310 helixtrans-63-22.6-178.2-58.5-172.1175.100114.6K621 W657 L661K621-E659 HydrophobicContact CD-CB 4.44Å; W657-E659 VanDerWaalsContact C-N 3.26Å; W657-E659 PolarHBondContact O-N 3.49Å; E659-L661 VanDerWaalsContact C-N 3.31Å
660I85.3Confident83.2Confident0 Ų055 Ų550%029%0.286CS..G310 helixtrans-73.7-26.2178.4-67.9175.9000111.1S616 A652 W657 T658 D662 V663 I664S616-I660 WeakPolarHBondContact O-CD1 3.34Å; A652-I660 HydrophobicContact CB-CB 3.98Å; A652-I660 HydrophobicContact CB-CD1 3.61Å; A652-I660 HydrophobicContact CB-CG1 4.36Å; A652-I660 HydrophobicContact CB-CG2 3.91Å; W657-I660 HydrophobicContact CB-CD1 3.8Å; W657-I660 HydrophobicContact CB-CG1 4.15Å; W657-I660 HydrophobicContact CG-CD1 4.31Å; W657-I660 PolarHBondContact O-N 2.96Å; T658-I660 PolarHBondContact O-N 3.25Å; T658-I660 VanDerWaalsContact O-N 3.16Å; I660-D662 PolarHBondContact O-N 3.3Å; I660-V663 PolarHBondContact O-N 3.37Å; I660-I664 HydrophobicContact CG2-CD1 3.59Å; I660-I664 HydrophobicContact CG2-CG1 4.13Å; I660-I664 PolarHBondContact O-N 3.13Å
661L84Confident82.8Confident11 Ų1159.7 Ų59.76%0.05831%0.306CS..THydrogen-bonded Turntrans-61.8-28.7177.6-68.7167.2000111.9L649 T658 E659 V663 W669 F692 A695L649-L661 HydrophobicContact CD1-CD2 3.76Å; T658-L661 WeakPolarHBondContact O-CB 3.37Å; T658-L661 PolarHBondContact O-N 3.43Å; T658-L661 VanDerWaalsContact O-N 3.09Å; E659-L661 VanDerWaalsContact C-N 3.31Å; L661-V663 PolarHBondContact O-N 2.7Å; L661-W669 HydrophobicContact CB-CH2 4.22Å; L661-W669 HydrophobicContact CB-CZ2 3.87Å; L661-W669 HydrophobicContact CD2-CD2 4.02Å; L661-W669 HydrophobicContact CD2-CE3 4.32Å; L661-W669 HydrophobicContact CD2-CH2 4.16Å; L661-W669 HydrophobicContact CD2-CZ2 3.79Å; L661-W669 HydrophobicContact CD2-CZ3 4.41Å; L661-W669 HydrophobicContact CG-CZ2 4.41Å; L661-F692 HydrophobicContact CD1-CD2 4.15Å; L661-F692 HydrophobicContact CD1-CE2 3.94Å; L661-F692 HydrophobicContact CD1-CZ 4.14Å; L661-F692 HydrophobicContact CD2-CE1 4.45Å; L661-F692 HydrophobicContact CD2-CE2 4.28Å; L661-F692 HydrophobicContact CD2-CZ 3.87Å; L661-F692 HydrophobicContact CG-CE2 3.95Å; L661-F692 HydrophobicContact CG-CZ 4.06Å; L661-A695 HydrophobicContact CD1-CB 3.76Å
662D84.1Confident82.5Confident121 Ų12161 Ų6165%0.64732%0.317SS*.THydrogen-bonded Turntrans-67.3-22.5176.2-63.4-17.1000113.4K621 I660K621-D662 IonicContact NZ-OD2 3.05Å; K621-D662 PolarHBondContact NZ-OD2 2.86Å; I660-D662 PolarHBondContact O-N 3.3Å
663V83.6Confident82Confident33 Ų3361.3 Ų61.320%0.232%0.318CS..THydrogen-bonded Turntrans-100.7-29.6-171.3-173.70000112K621 V624 K625 L628 I660 L661K621-V663 HydrophobicContact CD-CG2 4.36Å; K621-V663 HydrophobicContact CG-CG2 3.61Å; V624-V663 HydrophobicContact CG1-CG1 3.99Å; K625-V663 HydrophobicContact CB-CG1 4.31Å; L628-V663 HydrophobicContact CD1-CG1 3.59Å; I660-V663 PolarHBondContact O-N 3.37Å; L661-V663 PolarHBondContact O-N 2.7Å
664I80.6Confident81.2Confident12 Ų1268.1 Ų68.16%0.06235%0.35CS..SBendtrans-96.7127.5-176.4-60.9179.4000110.4L649 I660 L668 W669L649-I664 HydrophobicContact CB-CD1 4.11Å; L649-I664 HydrophobicContact CD1-CD1 4.02Å; I660-I664 HydrophobicContact CG2-CD1 3.59Å; I660-I664 HydrophobicContact CG2-CG1 4.13Å; I660-I664 PolarHBondContact O-N 3.13Å; I664-L668 HydrophobicContact CG2-CB 4.19Å; I664-L668 HydrophobicContact CG2-CD1 3.92Å; I664-W669 PolarHBondContact O-NE1 2.9Å; I664-W669 VanDerWaalsContact O-NE1 3.13Å
665D79.2Confident80.4Confident121 Ų12169.9 Ų69.965%0.64736%0.358SS*.  trans-51.3136.5-179.9-62.2-37.4000113.6E667 L668D665-E667 PolarHBondContact O-N 3.29Å; D665-L668 HydrophobicContact CB-CD1 4.34Å; D665-L668 WeakPolarHBondContact O-CB 3.43Å; D665-L668 PolarHBondContact O-N 3.21Å
666M77.4Confident79.9Confident140 Ų14067 Ų6769%0.6934%0.342SS*.G310 helixtrans-58.8-30.8-176.3-70.3-173.5-76.100113.9L668 W669M666-L668 PolarHBondContact O-N 3.25Å; M666-L668 VanDerWaalsContact O-N 3.14Å; M666-W669 HydrophobicContact CG-CH2 4.28Å; M666-W669 HydrophobicContact CG-CZ2 3.95Å; M666-W669 WeakPolarHBondContact O-CB 2.98Å; M666-W669 PolarHBondContact O-N 2.88Å
667E75.8Confident79.5Confident183 Ų18366.1 Ų66.186%0.85533%0.334SS*.G310 helixtrans-61.8-21.9178.3-63.9-174.3176.100113.1D665D665-E667 PolarHBondContact O-N 3.29Å
668L75.1Confident79.2Confident38 Ų3861 Ų6120%0.19932%0.315CS..G310 helixtrans-86-14.4-177.8-62.9171.4000113.1P634 I664 D665 M666 G670 K671P634-L668 HydrophobicContact CB-CD1 4.34Å; P634-L668 HydrophobicContact CG-CD1 3.57Å; I664-L668 HydrophobicContact CG2-CB 4.19Å; I664-L668 HydrophobicContact CG2-CD1 3.92Å; D665-L668 HydrophobicContact CB-CD1 4.34Å; D665-L668 WeakPolarHBondContact O-CB 3.43Å; D665-L668 PolarHBondContact O-N 3.21Å; M666-L668 PolarHBondContact O-N 3.25Å; M666-L668 VanDerWaalsContact O-N 3.14Å; L668-G670 VanDerWaalsContact C-N 3.3Å; L668-G670 PolarHBondContact O-N 3.46Å; L668-K671 HydrophobicContact CD2-CD 4.19Å; L668-K671 PolarHBondContact O-N 2.98Å
669W82.1Confident79.1Confident23 Ų2358.7 Ų58.79%0.08730%0.301CS..THydrogen-bonded Turntrans-66.9-31.3-172.7-63.914.1000112.6L649 L661 I664 M666 M696 S699 V700L649-W669 HydrophobicContact CD2-CB 4.29Å; L649-W669 HydrophobicContact CD2-CG 4.11Å; L661-W669 HydrophobicContact CB-CH2 4.22Å; L661-W669 HydrophobicContact CB-CZ2 3.87Å; L661-W669 HydrophobicContact CD2-CD2 4.02Å; L661-W669 HydrophobicContact CD2-CE3 4.32Å; L661-W669 HydrophobicContact CD2-CH2 4.16Å; L661-W669 HydrophobicContact CD2-CZ2 3.79Å; L661-W669 HydrophobicContact CD2-CZ3 4.41Å; L661-W669 HydrophobicContact CG-CZ2 4.41Å; I664-W669 PolarHBondContact O-NE1 2.9Å; I664-W669 VanDerWaalsContact O-NE1 3.13Å; M666-W669 HydrophobicContact CG-CH2 4.28Å; M666-W669 HydrophobicContact CG-CZ2 3.95Å; M666-W669 WeakPolarHBondContact O-CB 2.98Å; M666-W669 PolarHBondContact O-N 2.88Å; W669-M696 HydrophobicContact CB-CE 4.24Å; W669-M696 HydrophobicContact CE3-CG 4.16Å; W669-M696 WeakPolarHBondContact O-CE 3.39Å; W669-S699 VanDerWaalsContact CZ3-OG 3.26Å; W669-S699 WeakPolarHBondContact CZ3-OG 3.41Å; W669-V700 HydrophobicContact CB-CG2 3.81Å
670G73.4Confident79.3Confident43 Ų4353.3 Ų53.344%0.44328%0.276SS..THydrogen-bonded Turntrans-80.9-9.7-18000000115.8L668L668-G670 VanDerWaalsContact C-N 3.3Å; L668-G670 PolarHBondContact O-N 3.46Å
671K76.8Confident79.6Confident100 Ų10053.3 Ų53.344%0.43528%0.276SS..PPolyproline II helixtrans-77.3132.9-174.1-71.8-174.3178.9175.50112Y635 L668Y635-K671 HydrophobicContact CD2-CD 4.27Å; Y635-K671 HydrophobicContact CE2-CD 4.07Å; L668-K671 HydrophobicContact CD2-CD 4.19Å; L668-K671 PolarHBondContact O-N 2.98Å
672C77.3Confident79.8Confident43 Ų4352.8 Ų52.829%0.29127%0.273SS..PPolyproline II helixtrans-85.3146.3174.2-63.40000111L678 A707C672-L678 CarbonylContact C-O 3.52Å; C672-L678 VanDerWaalsContact CA-O 3.23Å; C672-L678 WeakPolarHBondContact CA-O 3.45Å; C672-A707 HydrophobicContact CB-CB 4.2Å
673S76.9Confident80Confident5 Ų547.1 Ų47.14%0.03524%0.243CC..PPolyproline II helixtrans-67.5140.3171.7173.80000110.9G645 L647 K675 T676 G677 L678G645-S673 PolarHBondContact O-OG 2.97Å; L647-S673 VanDerWaalsContact CD1-CA 3.44Å; S673-K675 PolarHBondContact O-N 2.98Å; S673-K675 PolarHBondContact OG-N 3.23Å; S673-K675 VanDerWaalsContact OG-N 3.13Å; S673-T676 VanDerWaalsContact CB-OG1 3.25Å; S673-T676 WeakPolarHBondContact CB-OG1 3.39Å; S673-T676 PolarHBondContact OG-N 2.99Å; S673-G677 WeakPolarHBondContact O-CA 3.42Å; S673-G677 PolarHBondContact O-N 2.91Å; S673-L678 PolarHBondContact N-O 3.5Å
674Q72Confident80.3Confident143 Ų14345.6 Ų45.667%0.66823%0.233SC*.THydrogen-bonded Turntrans-66-26.3173.3-66-176.3-10.600112.9
675K70.3Confident80.8Confident91 Ų9145 Ų4540%0.39623%0.231SC..THydrogen-bonded Turntrans-91.2-39.8-178-81.2179.3173.4177.70113.1S673 T709S673-K675 PolarHBondContact O-N 2.98Å; S673-K675 PolarHBondContact OG-N 3.23Å; S673-K675 VanDerWaalsContact OG-N 3.13Å; K675-T709 WeakPolarHBondContact O-CB 3.45Å; K675-T709 VanDerWaalsContact O-CG2 3.28Å; K675-T709 WeakPolarHBondContact O-CG2 3.41Å
676T74.1Confident81.3Confident6 Ų641.4 Ų41.44%0.03721%0.209CC..THydrogen-bonded Turntrans-103.4-14.7-177.566.20000113.7D644 M646 S673 L678 N713D644-T676 WeakPolarHBondContact O-CG2 3.43Å; M646-T676 HydrophobicContact CE-CG2 3.89Å; M646-T676 HydrophobicContact CG-CG2 4.4Å; M646-T676 HydrophobicContact SD-CG2 3.8Å; S673-T676 VanDerWaalsContact CB-OG1 3.25Å; S673-T676 WeakPolarHBondContact CB-OG1 3.39Å; S673-T676 PolarHBondContact OG-N 2.99Å; T676-L678 WeakPolarHBondContact O-CG 3.45Å; T676-L678 PolarHBondContact O-N 2.98Å; T676-N713 WeakPolarHBondContact CA-OD1 3.4Å; T676-N713 PolarHBondContact O-ND2 3.2Å; T676-N713 PolarHBondContact O-OD1 3.37Å
677G79.2Confident81.8Confident0 Ų039 Ų390%019%0.193CC..  trans65.8-4.9179.400000114.5S673 S706 A707S673-G677 WeakPolarHBondContact O-CA 3.42Å; S673-G677 PolarHBondContact O-N 2.91Å; G677-S706 CarbonylContact O-C 3.56Å; G677-S706 WeakPolarHBondContact O-CA 3.38Å; G677-S706 WeakPolarHBondContact O-CB 3.44Å; G677-A707 WeakPolarHBondContact CA-O 3.17Å; G677-A707 PolarHBondContact O-N 2.85Å
678L82.8Confident82.4Confident2 Ų231.2 Ų31.21%0.0116%0.162CC..  trans-86.4156.7177.7-57.5-177000109.4Q650 C672 S673 T676 H682 V683 M731Q650-L678 PolarHBondContact NE2-O 3.38Å; C672-L678 CarbonylContact C-O 3.52Å; C672-L678 VanDerWaalsContact CA-O 3.23Å; C672-L678 WeakPolarHBondContact CA-O 3.45Å; S673-L678 PolarHBondContact N-O 3.5Å; T676-L678 WeakPolarHBondContact O-CG 3.45Å; T676-L678 PolarHBondContact O-N 2.98Å; L678-H682 HydrophobicContact CB-CB 3.96Å; L678-H682 HydrophobicContact CD2-CB 4.01Å; L678-H682 HydrophobicContact CG-CB 4.39Å; L678-V683 HydrophobicContact CB-CG2 4.02Å; L678-V683 HydrophobicContact CD1-CG2 4.07Å; L678-M731 HydrophobicContact CD1-CE 4.44Å; L678-M731 HydrophobicContact CD2-CE 3.57Å
679N87Confident83.2Confident2 Ų232.2 Ų32.21%0.01117%0.166CC..  trans-100.9178.5162.667.913.4000109.1L681 H682 V683 C704N679-L681 VanDerWaalsContact C-N 3.25Å; N679-L681 PolarHBondContact O-N 3.27Å; N679-L681 WeakPolarHBondContact OD1-CA 3.49Å; N679-L681 WeakPolarHBondContact OD1-CB 3.37Å; N679-L681 PolarHBondContact OD1-N 3.08Å; N679-H682 PolarHBondContact N-ND1 3.08Å; N679-H682 PolarHBondContact O-N 3.47Å; N679-H682 PolarHBondContact OD1-N 3.45Å; N679-H682 PolarHBondContact OD1-ND1 2.93Å; N679-V683 PolarHBondContact O-N 3.02Å; N679-C704 PolarHBondContact ND2-SG 3.31Å
680A88.2Confident83.5Confident2 Ų237.4 Ų37.42%0.01719%0.186CC..Hα-helixtrans-61.4-32.1178.200000113L649 A653 V683 A684 F692 M696L649-A680 HydrophobicContact CD2-CB 4.08Å; L649-A680 HydrophobicContact CG-CB 3.88Å; A653-A680 HydrophobicContact CB-CB 3.92Å; A653-A680 VanDerWaalsContact CB-O 3.31Å; A653-A680 WeakPolarHBondContact CB-O 3.29Å; A680-V683 PolarHBondContact O-N 2.99Å; A680-A684 WeakPolarHBondContact O-CB 3.25Å; A680-A684 PolarHBondContact O-N 2.86Å; A680-F692 HydrophobicContact CB-CE1 4.25Å; A680-M696 HydrophobicContact CB-CE 3.84Å; A680-M696 HydrophobicContact CB-SD 3.76Å
681L90.9Very high84.2Confident1 Ų142.3 Ų42.31%0.00520%0.197CC..Hα-helixtrans-69.3-40.1179.4-174.359.6000112.1N679 V683 A684 A685 M696 L697 V700 P728N679-L681 VanDerWaalsContact C-N 3.25Å; N679-L681 PolarHBondContact O-N 3.27Å; N679-L681 WeakPolarHBondContact OD1-CA 3.49Å; N679-L681 WeakPolarHBondContact OD1-CB 3.37Å; N679-L681 PolarHBondContact OD1-N 3.08Å; L681-V683 VanDerWaalsContact C-N 3.34Å; L681-A684 PolarHBondContact O-N 3.39Å; L681-A685 VanDerWaalsContact O-CB 3.23Å; L681-A685 WeakPolarHBondContact O-CB 3.36Å; L681-A685 PolarHBondContact O-N 3.41Å; L681-M696 HydrophobicContact CB-CE 3.58Å; L681-M696 HydrophobicContact CB-CG 4.41Å; L681-M696 HydrophobicContact CB-SD 3.61Å; L681-M696 HydrophobicContact CD1-CB 4.35Å; L681-M696 HydrophobicContact CD1-SD 4.41Å; L681-M696 VanDerWaalsContact N-CE 3.31Å; L681-M696 PolarHBondContact N-SD 3.11Å; L681-L697 HydrophobicContact CD1-CG 4.37Å; L681-L697 HydrophobicContact CD2-CD2 4.04Å; L681-V700 HydrophobicContact CD2-CG1 4.23Å; L681-P728 HydrophobicContact CD2-CB 4.26Å; L681-P728 HydrophobicContact CD2-CG 3.67Å; L681-P728 HydrophobicContact CG-CB 4.07Å; L681-P728 HydrophobicContact CG-CG 3.81Å
682H89.1Confident84.9Confident0 Ų037.6 Ų37.60%018%0.176CC..Hα-helixtrans-61.9-43.9174.6-71.3101.2000111.3L678 N679 A685 F686 C704 F726 P728 M731L678-H682 HydrophobicContact CB-CB 3.96Å; L678-H682 HydrophobicContact CD2-CB 4.01Å; L678-H682 HydrophobicContact CG-CB 4.39Å; N679-H682 PolarHBondContact N-ND1 3.08Å; N679-H682 PolarHBondContact O-N 3.47Å; N679-H682 PolarHBondContact OD1-N 3.45Å; N679-H682 PolarHBondContact OD1-ND1 2.93Å; H682-A685 PolarHBondContact O-N 3.01Å; H682-F686 WeakPolarHBondContact O-CB 3.29Å; H682-F686 PolarHBondContact O-N 3.26Å; H682-C704 PolarHBondContact CE1-O 3.49Å; H682-C704 PolarHBondContact NE2-O 3.3Å; H682-F726 PolarHBondContact NE2-O 3.47Å; H682-P728 WeakPolarHBondContact NE2-CD 3.42Å; H682-M731 HydrophobicContact CB-CG 4.25Å
683V87.9Confident85.5Confident2 Ų235.5 Ų35.51%0.01216%0.163CC..Hα-helixtrans-66.8-44.9178.7177.90000110.4M646 Q650 A653 K654 L678 N679 A680 L681 A685 F686 Y687M646-V683 HydrophobicContact CE-CG2 4.01Å; M646-V683 HydrophobicContact SD-CG2 4.14Å; Q650-V683 HydrophobicContact CB-CG2 4.44Å; A653-V683 HydrophobicContact CB-CB 4.41Å; A653-V683 HydrophobicContact CB-CG1 4.44Å; K654-V683 HydrophobicContact CB-CG1 3.83Å; L678-V683 HydrophobicContact CB-CG2 4.02Å; L678-V683 HydrophobicContact CD1-CG2 4.07Å; N679-V683 PolarHBondContact O-N 3.02Å; A680-V683 PolarHBondContact O-N 2.99Å; L681-V683 VanDerWaalsContact C-N 3.34Å; V683-A685 VanDerWaalsContact C-N 3.3Å; V683-A685 PolarHBondContact O-N 2.9Å; V683-F686 PolarHBondContact O-N 3.39Å; V683-Y687 HydrophobicContact CG1-CD2 3.83Å; V683-Y687 HydrophobicContact CG1-CE2 3.96Å; V683-Y687 VanDerWaalsContact O-CD2 3.29Å; V683-Y687 WeakPolarHBondContact O-CD2 3.5Å; V683-Y687 PolarHBondContact O-N 3.42Å; V683-Y687 VanDerWaalsContact O-N 3.09Å
684A91Very high86.1Confident0 Ų041.6 Ų41.60%019%0.19CC..Hα-helixtrans-59.2-41.9174.700000111.8A653 A680 L681 Y687 G688 Q689 F692 S693A653-A684 HydrophobicContact CB-CB 4.29Å; A680-A684 WeakPolarHBondContact O-CB 3.25Å; A680-A684 PolarHBondContact O-N 2.86Å; L681-A684 PolarHBondContact O-N 3.39Å; A684-Y687 PolarHBondContact O-N 2.92Å; A684-G688 PolarHBondContact O-N 2.85Å; A684-G688 VanDerWaalsContact O-N 3.1Å; A684-Q689 HydrophobicContact CB-CB 4.16Å; A684-Q689 PolarHBondContact O-N 3.22Å; A684-F692 HydrophobicContact CB-CB 4.44Å; A684-F692 HydrophobicContact CB-CD1 3.64Å; A684-F692 HydrophobicContact CB-CE1 4.38Å; A684-F692 HydrophobicContact CB-CG 4.39Å; A684-S693 WeakPolarHBondContact CB-OG 3.46Å
685A91.1Very high86.8Confident1 Ų137 Ų371%0.00818%0.177CC..Hα-helixtrans-68.7-38.1-179.700000113.3L681 H682 V683 Y687 G688 P728 M731 A732 S735 L740L681-A685 VanDerWaalsContact O-CB 3.23Å; L681-A685 WeakPolarHBondContact O-CB 3.36Å; L681-A685 PolarHBondContact O-N 3.41Å; H682-A685 PolarHBondContact O-N 3.01Å; V683-A685 VanDerWaalsContact C-N 3.3Å; V683-A685 PolarHBondContact O-N 2.9Å; A685-Y687 VanDerWaalsContact C-N 3.34Å; A685-G688 PolarHBondContact O-N 3.06Å; A685-P728 HydrophobicContact CB-CB 4.21Å; A685-P728 WeakPolarHBondContact CB-O 3.29Å; A685-M731 HydrophobicContact CB-CB 3.96Å; A685-A732 HydrophobicContact CB-CB 4.44Å; A685-S735 WeakPolarHBondContact O-CB 3.4Å; A685-S735 PolarHBondContact O-OG 2.68Å; A685-S735 VanDerWaalsContact O-OG 3.14Å; A685-L740 VanDerWaalsContact CA-CD2 3.46Å; A685-L740 HydrophobicContact CB-CD2 3.85Å; A685-L740 WeakPolarHBondContact O-CD2 3.2Å
686F88.3Confident87.6Confident44 Ų4432.7 Ų32.719%0.19316%0.158CC..Hα-helixtrans-65-37175.4-178.2-99.7000112.4H682 V683 L716 M731 M734 S735H682-F686 WeakPolarHBondContact O-CB 3.29Å; H682-F686 PolarHBondContact O-N 3.26Å; V683-F686 PolarHBondContact O-N 3.39Å; F686-L716 HydrophobicContact CD2-CD2 4.17Å; F686-L716 HydrophobicContact CE2-CD2 3.96Å; F686-M731 HydrophobicContact CB-CB 4.06Å; F686-M731 HydrophobicContact CB-CG 4.49Å; F686-M731 HydrophobicContact CB-SD 4.37Å; F686-M731 HydrophobicContact CD2-SD 4.03Å; F686-M734 HydrophobicContact CD2-SD 4.3Å; F686-M734 HydrophobicContact CE2-CE 3.97Å; F686-M734 HydrophobicContact CE2-CG 4.18Å; F686-M734 HydrophobicContact CE2-SD 3.7Å; F686-S735 WeakPolarHBondContact O-CB 3.45Å
687Y88.6Confident88.2Confident89 Ų8934.2 Ų34.235%0.34917%0.166SC..THydrogen-bonded Turntrans-88.63.1177.3-75-69.7000114.3K654 V683 A684 A685 Q689 F715K654-Y687 HydrophobicContact CB-CD2 4.16Å; K654-Y687 HydrophobicContact CB-CE2 4.01Å; K654-Y687 HydrophobicContact CD-CE2 4.01Å; K654-Y687 WeakPolarHBondContact CE-OH 3.23Å; K654-Y687 HydrophobicContact CG-CD2 3.96Å; K654-Y687 HydrophobicContact CG-CE2 3.51Å; V683-Y687 HydrophobicContact CG1-CD2 3.83Å; V683-Y687 HydrophobicContact CG1-CE2 3.96Å; V683-Y687 VanDerWaalsContact O-CD2 3.29Å; V683-Y687 WeakPolarHBondContact O-CD2 3.5Å; V683-Y687 PolarHBondContact O-N 3.42Å; V683-Y687 VanDerWaalsContact O-N 3.09Å; A684-Y687 PolarHBondContact O-N 2.92Å; A685-Y687 VanDerWaalsContact C-N 3.34Å; Y687-Q689 VanDerWaalsContact C-N 3.29Å; Y687-Q689 PolarHBondContact O-N 3.46Å; Y687-F715 AromaticContact CE2-CE1 3.5Å; Y687-F715 HydrophobicContact CE2-CE1 3.5Å; Y687-F715 AromaticContact CE2-CZ 3.83Å; Y687-F715 HydrophobicContact CE2-CZ 3.83Å; Y687-F715 AromaticContact CZ-CE1 3.64Å; Y687-F715 AromaticContact CZ-CZ 3.87Å; Y687-F715 WeakPolarHBondContact OH-CE1 3.31Å; Y687-F715 WeakPolarHBondContact OH-CZ 3.18Å
688G88.6Confident88.2Confident21 Ų2137.8 Ų37.822%0.21620%0.203CC..THydrogen-bonded Turntrans67.726.5179.800000113.9A684 A685 R690A684-G688 PolarHBondContact O-N 2.85Å; A684-G688 VanDerWaalsContact O-N 3.1Å; A685-G688 PolarHBondContact O-N 3.06Å; G688-R690 VanDerWaalsContact C-N 3.31Å; G688-R690 PolarHBondContact O-N 2.8Å
689Q90.6Very high88Confident59 Ų5940.7 Ų40.728%0.27622%0.223SC..  trans-79.780-178.6-61.6-68.3-2.100110.1A653 K654 A684 Y687 E691 F692 S693A653-Q689 WeakPolarHBondContact O-CG 3.44Å; K654-Q689 PolarHBondContact O-NE2 3.15Å; A684-Q689 HydrophobicContact CB-CB 4.16Å; A684-Q689 PolarHBondContact O-N 3.22Å; Y687-Q689 VanDerWaalsContact C-N 3.29Å; Y687-Q689 PolarHBondContact O-N 3.46Å; Q689-E691 PolarHBondContact O-N 3.37Å; Q689-F692 HydrophobicContact CB-CB 3.95Å; Q689-F692 PolarHBondContact O-N 2.79Å; Q689-S693 VanDerWaalsContact O-CB 3.29Å; Q689-S693 WeakPolarHBondContact O-CB 3.45Å; Q689-S693 PolarHBondContact O-N 3.3Å; Q689-S693 PolarHBondContact O-OG 2.96Å
690R89Confident87.8Confident132 Ų13241.3 Ų41.350%0.49823%0.227SC..Hα-helixtrans-57.5-48.1-175-62.7-179.5-173.2160.81.6112.8G688 S693 Q694 D737 L740 M743G688-R690 VanDerWaalsContact C-N 3.31Å; G688-R690 PolarHBondContact O-N 2.8Å; R690-S693 PolarHBondContact O-N 3.24Å; R690-Q694 VanDerWaalsContact O-CB 3.31Å; R690-Q694 WeakPolarHBondContact O-CB 3.24Å; R690-Q694 PolarHBondContact O-N 3.38Å; R690-D737 WeakPolarHBondContact CG-OD2 3.41Å; R690-D737 IonicContact CZ-OD1 2.69Å; R690-D737 IonicContact CZ-OD2 3.94Å; R690-D737 IonicContact NE-OD1 3.05Å; R690-D737 PolarHBondContact NE-OD1 2.89Å; R690-D737 IonicContact NE-OD2 3.81Å; R690-D737 PolarHBondContact NE-OD2 3.33Å; R690-D737 IonicContact NH2-OD1 2.85Å; R690-D737 PolarHBondContact NH2-OD1 3.34Å; R690-D737 IonicContact NH2-OD2 2.98Å; R690-L740 HydrophobicContact CG-CB 4.33Å; R690-M743 HydrophobicContact CB-CE 4.39Å
691E89.1Confident87.5Confident145 Ų14544.6 Ų44.668%0.67825%0.25SS*.Hα-helixtrans-67.1-44.2-177-63.5-176.1177.900111.6T658 Q689 S693 Q694 A695T658-E691 HydrophobicContact CG2-CB 4.2Å; Q689-E691 PolarHBondContact O-N 3.37Å; E691-S693 VanDerWaalsContact C-N 3.34Å; E691-S693 PolarHBondContact O-N 2.99Å; E691-Q694 PolarHBondContact O-N 2.76Å; E691-A695 WeakPolarHBondContact O-CB 3.44Å; E691-A695 PolarHBondContact O-N 3.49Å
692F91Very high87.2Confident1 Ų144.7 Ų44.70%0.00425%0.251CS..Hα-helixtrans-62.3-42.9175-165.3-78.8000111.3L649 A652 A653 W657 T658 L661 A680 A684 Q689 A695 M696L649-F692 HydrophobicContact CD1-CZ 4.27Å; A652-F692 HydrophobicContact CB-CE2 4.36Å; A653-F692 VanDerWaalsContact CA-CZ 3.49Å; A653-F692 HydrophobicContact CB-CD1 3.9Å; A653-F692 HydrophobicContact CB-CE1 3.33Å; A653-F692 HydrophobicContact CB-CE2 4.29Å; A653-F692 HydrophobicContact CB-CZ 3.56Å; W657-F692 WeakPolarHBondContact O-CE2 3.21Å; T658-F692 HydrophobicContact CG2-CB 4.36Å; T658-F692 HydrophobicContact CG2-CD2 4.42Å; L661-F692 HydrophobicContact CD1-CD2 4.15Å; L661-F692 HydrophobicContact CD1-CE2 3.94Å; L661-F692 HydrophobicContact CD1-CZ 4.14Å; L661-F692 HydrophobicContact CD2-CE1 4.45Å; L661-F692 HydrophobicContact CD2-CE2 4.28Å; L661-F692 HydrophobicContact CD2-CZ 3.87Å; L661-F692 HydrophobicContact CG-CE2 3.95Å; L661-F692 HydrophobicContact CG-CZ 4.06Å; A680-F692 HydrophobicContact CB-CE1 4.25Å; A684-F692 HydrophobicContact CB-CB 4.44Å; A684-F692 HydrophobicContact CB-CD1 3.64Å; A684-F692 HydrophobicContact CB-CE1 4.38Å; A684-F692 HydrophobicContact CB-CG 4.39Å; Q689-F692 HydrophobicContact CB-CB 3.95Å; Q689-F692 PolarHBondContact O-N 2.79Å; F692-A695 PolarHBondContact O-N 3.32Å; F692-M696 HydrophobicContact CE1-SD 4.16Å; F692-M696 WeakPolarHBondContact O-CB 3.36Å; F692-M696 PolarHBondContact O-N 3.23Å
693S90.1Very high86.9Confident0 Ų048.1 Ų48.10%027%0.272CS..Hα-helixtrans-64.7-42.5177.2-57.40000111.6A684 Q689 R690 E691 M696 L697A684-S693 WeakPolarHBondContact CB-OG 3.46Å; Q689-S693 VanDerWaalsContact O-CB 3.29Å; Q689-S693 WeakPolarHBondContact O-CB 3.45Å; Q689-S693 PolarHBondContact O-N 3.3Å; Q689-S693 PolarHBondContact O-OG 2.96Å; R690-S693 PolarHBondContact O-N 3.24Å; E691-S693 VanDerWaalsContact C-N 3.34Å; E691-S693 PolarHBondContact O-N 2.99Å; S693-M696 PolarHBondContact O-N 3.09Å; S693-L697 WeakPolarHBondContact O-CB 3.21Å; S693-L697 WeakPolarHBondContact O-CG 3.34Å; S693-L697 PolarHBondContact O-N 3.06Å
694Q89.1Confident86.7Confident132 Ų13249.3 Ų49.362%0.61728%0.281SS*.Hα-helixtrans-63.1-42.8177.1-175.1177.7-0.500111.8R690 E691 M696 M743R690-Q694 VanDerWaalsContact O-CB 3.31Å; R690-Q694 WeakPolarHBondContact O-CB 3.24Å; R690-Q694 PolarHBondContact O-N 3.38Å; E691-Q694 PolarHBondContact O-N 2.76Å; Q694-M696 VanDerWaalsContact C-N 3.28Å; Q694-M696 PolarHBondContact O-N 2.87Å; Q694-M743 HydrophobicContact CB-CE 4.15Å; Q694-M743 HydrophobicContact CB-SD 4.46Å
695A86.6Confident86.4Confident48 Ų4855.2 Ų55.240%0.39731%0.306SS..Hα-helixtrans-62.2-37.5175.800000111.8L661 E691 F692L661-A695 HydrophobicContact CD1-CB 3.76Å; E691-A695 WeakPolarHBondContact O-CB 3.44Å; E691-A695 PolarHBondContact O-N 3.49Å; F692-A695 PolarHBondContact O-N 3.32Å
696M88Confident85.9Confident0 Ų055.4 Ų55.40%031%0.307CS..Hα-helixtrans-80.7-28.6-177.8-167.4171.8168.600113.8W669 A680 L681 F692 S693 Q694 G698 S699 V700W669-M696 HydrophobicContact CB-CE 4.24Å; W669-M696 HydrophobicContact CE3-CG 4.16Å; W669-M696 WeakPolarHBondContact O-CE 3.39Å; A680-M696 HydrophobicContact CB-CE 3.84Å; A680-M696 HydrophobicContact CB-SD 3.76Å; L681-M696 HydrophobicContact CB-CE 3.58Å; L681-M696 HydrophobicContact CB-CG 4.41Å; L681-M696 HydrophobicContact CB-SD 3.61Å; L681-M696 HydrophobicContact CD1-CB 4.35Å; L681-M696 HydrophobicContact CD1-SD 4.41Å; L681-M696 VanDerWaalsContact N-CE 3.31Å; L681-M696 PolarHBondContact N-SD 3.11Å; F692-M696 HydrophobicContact CE1-SD 4.16Å; F692-M696 WeakPolarHBondContact O-CB 3.36Å; F692-M696 PolarHBondContact O-N 3.23Å; S693-M696 PolarHBondContact O-N 3.09Å; Q694-M696 VanDerWaalsContact C-N 3.28Å; Q694-M696 PolarHBondContact O-N 2.87Å; M696-G698 PolarHBondContact O-N 3.28Å; M696-G698 VanDerWaalsContact O-N 3.17Å; M696-S699 PolarHBondContact O-N 3.37Å; M696-S699 VanDerWaalsContact O-N 3.15Å; M696-S699 PolarHBondContact O-OG 3.49Å; M696-V700 HydrophobicContact CE-CB 3.99Å; M696-V700 HydrophobicContact CE-CG1 4.07Å; M696-V700 HydrophobicContact CE-CG2 3.61Å; M696-V700 HydrophobicContact CG-CB 4.15Å; M696-V700 HydrophobicContact CG-CG2 4Å; M696-V700 PolarHBondContact O-N 3.17Å
697L85.7Confident85.6Confident37 Ų3755.3 Ų55.319%0.19432%0.315CS..THydrogen-bonded Turntrans-65.6-13.8178.5-79.2168.7000114.1L681 S693 S699 A702 M743 L744 V747L681-L697 HydrophobicContact CD1-CG 4.37Å; L681-L697 HydrophobicContact CD2-CD2 4.04Å; S693-L697 WeakPolarHBondContact O-CB 3.21Å; S693-L697 WeakPolarHBondContact O-CG 3.34Å; S693-L697 PolarHBondContact O-N 3.06Å; L697-S699 VanDerWaalsContact C-N 3.29Å; L697-A702 HydrophobicContact CD2-CB 3.71Å; L697-M743 HydrophobicContact CD1-CG 4.38Å; L697-M743 HydrophobicContact CD1-SD 3.25Å; L697-M743 WeakPolarHBondContact CD1-SD 3.36Å; L697-L744 HydrophobicContact CD1-CD2 4.09Å; L697-L744 HydrophobicContact CD2-CD2 4.12Å; L697-V747 HydrophobicContact CD1-CG2 4.48Å
698G79.2Confident84.9Confident76 Ų7654.3 Ų54.378%0.78433%0.325SS*.THydrogen-bonded Turntrans-68.5-25172.200000113.9M696M696-G698 PolarHBondContact O-N 3.28Å; M696-G698 VanDerWaalsContact O-N 3.17Å
699S79Confident84.1Confident62 Ų6254.6 Ų54.643%0.43432%0.322SS..THydrogen-bonded Turntrans-126-28.4-175.862.80000114.1W669 M696 L697W669-S699 VanDerWaalsContact CZ3-OG 3.26Å; W669-S699 WeakPolarHBondContact CZ3-OG 3.41Å; M696-S699 PolarHBondContact O-N 3.37Å; M696-S699 VanDerWaalsContact O-N 3.15Å; M696-S699 PolarHBondContact O-OG 3.49Å; L697-S699 VanDerWaalsContact C-N 3.29Å
700V82Confident82.9Confident15 Ų1558.5 Ų58.59%0.09135%0.351CS..SBendtrans-105.1129.3-179.8-178.30000110.8W669 L681 M696 A702W669-V700 HydrophobicContact CB-CG2 3.81Å; L681-V700 HydrophobicContact CD2-CG1 4.23Å; M696-V700 HydrophobicContact CE-CB 3.99Å; M696-V700 HydrophobicContact CE-CG1 4.07Å; M696-V700 HydrophobicContact CE-CG2 3.61Å; M696-V700 HydrophobicContact CG-CB 4.15Å; M696-V700 HydrophobicContact CG-CG2 4Å; M696-V700 PolarHBondContact O-N 3.17Å; V700-A702 PolarHBondContact O-N 2.89Å
701S83.4Confident81.6Confident71 Ų7160.5 Ų60.550%0.49736%0.363SS..  trans-64.2132.1178.7-177.50000112.1T703 C704S701-T703 PolarHBondContact O-N 3.07Å; S701-T703 VanDerWaalsContact O-N 3.1Å; S701-T703 PolarHBondContact OG-N 3.02Å; S701-T703 PolarHBondContact OG-OG1 3.18Å; S701-C704 WeakPolarHBondContact O-CB 3.42Å; S701-C704 PolarHBondContact O-N 3.04Å; S701-C704 PolarHBondContact O-SG 3.25Å
702A82.7Confident80.2Confident4 Ų453.9 Ų53.93%0.03333%0.334CS..THydrogen-bonded Turntrans-63.2-11.3172.600000113.8L697 V700 P728 L744 V747 V750L697-A702 HydrophobicContact CD2-CB 3.71Å; V700-A702 PolarHBondContact O-N 2.89Å; A702-P728 WeakPolarHBondContact O-CD 3.34Å; A702-L744 HydrophobicContact CB-CD2 4.18Å; A702-V747 HydrophobicContact CB-CB 4.29Å; A702-V747 HydrophobicContact CB-CG1 3.94Å; A702-V750 HydrophobicContact CB-CG2 3.56Å
703T83.5Confident78.9Confident71 Ų7153.9 Ų53.944%0.43633%0.334SS..THydrogen-bonded Turntrans-93.13.2178.763.10000113.6S701 K705 G749S701-T703 PolarHBondContact O-N 3.07Å; S701-T703 VanDerWaalsContact O-N 3.1Å; S701-T703 PolarHBondContact OG-N 3.02Å; S701-T703 PolarHBondContact OG-OG1 3.18Å; T703-K705 PolarHBondContact O-N 3Å; T703-G749 WeakPolarHBondContact CG2-O 3.12Å
704C83.8Confident77.5Confident28 Ų2861.4 Ų61.419%0.18937%0.369CS..PPolyproline II helixtrans-59.6132.6177.559.40000111.1N679 H682 S701 P728N679-C704 PolarHBondContact ND2-SG 3.31Å; H682-C704 PolarHBondContact CE1-O 3.49Å; H682-C704 PolarHBondContact NE2-O 3.3Å; S701-C704 WeakPolarHBondContact O-CB 3.42Å; S701-C704 PolarHBondContact O-N 3.04Å; S701-C704 PolarHBondContact O-SG 3.25Å; C704-P728 WeakPolarHBondContact O-CD 3.18Å
705K83.9Confident76Confident123 Ų12356.9 Ų56.954%0.53535%0.347SS..PPolyproline II helixtrans-97.5140.8177.3-68-178.3176.2-171.30109.5T703 F726 T727 T756T703-K705 PolarHBondContact O-N 3Å; K705-F726 CarbonylContact C-O 3.45Å; K705-T727 HydrophobicContact CG-CG2 4.31Å; K705-T756 HydrophobicContact CD-CG2 4.5Å
706S82.7Confident74.8Confident5 Ų554.7 Ų54.74%0.03533%0.329CS..PPolyproline II helixtrans-64.7145.6172.565.50000111.9G677 S725 F726G677-S706 CarbonylContact O-C 3.56Å; G677-S706 WeakPolarHBondContact O-CA 3.38Å; G677-S706 WeakPolarHBondContact O-CB 3.44Å; S706-S725 VanDerWaalsContact O-CA 3.25Å; S706-S725 WeakPolarHBondContact O-CA 3.38Å; S706-S725 PolarHBondContact O-N 2.89Å; S706-S725 PolarHBondContact OG-N 3.35Å; S706-F726 PolarHBondContact N-O 3.24Å; S706-F726 PolarHBondContact OG-N 2.75Å; S706-F726 VanDerWaalsContact OG-N 3.07Å
707A80.4Confident73.5Confident43 Ų4357 Ų5736%0.35535%0.352SS..PPolyproline II helixtrans-81.5152.9176.600000111.7C672 G677C672-A707 HydrophobicContact CB-CB 4.2Å; G677-A707 WeakPolarHBondContact CA-O 3.17Å; G677-A707 PolarHBondContact O-N 2.85Å
708A74.4Confident72.2Confident68 Ų6860.6 Ų60.656%0.56238%0.381SS*.PPolyproline II helixtrans-70.1142173.600000111.2Y724A708-Y724 HydrophobicContact CB-CD1 4.2Å; A708-Y724 HydrophobicContact CB-CD2 4.28Å; A708-Y724 HydrophobicContact CB-CG 3.93Å
709T71Confident71.4Confident26 Ų2662.3 Ų62.316%0.1637%0.368CS..  trans-112.4142.8178.661.90000111.8K675 K711 N713K675-T709 WeakPolarHBondContact O-CB 3.45Å; K675-T709 VanDerWaalsContact O-CG2 3.28Å; K675-T709 WeakPolarHBondContact O-CG2 3.41Å; T709-K711 VanDerWaalsContact C-N 3.34Å; T709-N713 WeakPolarHBondContact CG2-OD1 3.44Å; T709-N713 PolarHBondContact OG1-N 3.43Å; T709-N713 PolarHBondContact OG1-OD1 3.03Å
710T65.8Low71.1Confident142 Ų14259.9 Ų59.987%0.87135%0.35SS*.SBendtrans-76.4-19-178.737.30000113.8
711K62.5Low70.4Confident173 Ų17359.7 Ų59.775%0.75235%0.351SS*.SBendtrans-116.29.3-175.6-68-169.4176.2-173.40114.3T709T709-K711 VanDerWaalsContact C-N 3.34Å
712G60.4Low69.6Low6 Ų663.9 Ų63.96%0.06236%0.36CS..  trans70.3141.9-170.600000111.9Q714 A721G712-Q714 PolarHBondContact O-N 2.95Å; G712-A721 CarbonylContact C-O 3.57Å; G712-A721 WeakPolarHBondContact CA-O 3.5Å
713N62Low69.1Low2 Ų265.5 Ų65.51%0.01137%0.367CS..  trans-70.790.9170-72-9.5000109.3T676 T709 F715 L716 A721T676-N713 WeakPolarHBondContact CA-OD1 3.4Å; T676-N713 PolarHBondContact O-ND2 3.2Å; T676-N713 PolarHBondContact O-OD1 3.37Å; T709-N713 WeakPolarHBondContact CG2-OD1 3.44Å; T709-N713 PolarHBondContact OG1-N 3.43Å; T709-N713 PolarHBondContact OG1-OD1 3.03Å; N713-F715 PolarHBondContact O-N 3.07Å; N713-L716 HydrophobicContact CB-CB 4.46Å; N713-L716 HydrophobicContact CB-CD1 4.18Å; N713-L716 HydrophobicContact CB-CG 4.48Å; N713-L716 PolarHBondContact O-N 3.19Å; N713-A721 WeakPolarHBondContact CA-O 3.48Å; N713-A721 WeakPolarHBondContact CB-O 3.37Å; N713-A721 PolarHBondContact N-O 3.26Å; N713-A721 VanDerWaalsContact O-CA 3.3Å; N713-A721 WeakPolarHBondContact O-CA 3.21Å; N713-A721 VanDerWaalsContact O-CB 3.32Å; N713-A721 WeakPolarHBondContact O-CB 3.41Å
714Q60.8Low68.7Low157 Ų15767.1 Ų67.173%0.73437%0.366SS*.THydrogen-bonded Turntrans-55.7-15170.1-62.1179.87.800112.9G712G712-Q714 PolarHBondContact O-N 2.95Å
715F58.2Low68.5Low37 Ų3766.6 Ų66.616%0.16236%0.363CS..THydrogen-bonded Turntrans-80.5-31.5-176.8-136.6-90.8000114.4M646 K654 Y687 N713M646-F715 HydrophobicContact CE-CD1 3.85Å; M646-F715 HydrophobicContact CE-CD2 3.33Å; M646-F715 HydrophobicContact CE-CE1 3.77Å; M646-F715 HydrophobicContact CE-CE2 3.25Å; M646-F715 HydrophobicContact CE-CG 3.61Å; M646-F715 HydrophobicContact CE-CZ 3.47Å; M646-F715 VanDerWaalsContact CE-CZ 3.47Å; K654-F715 HydrophobicContact CD-CZ 4.15Å; Y687-F715 AromaticContact CE2-CE1 3.5Å; Y687-F715 HydrophobicContact CE2-CE1 3.5Å; Y687-F715 AromaticContact CE2-CZ 3.83Å; Y687-F715 HydrophobicContact CE2-CZ 3.83Å; Y687-F715 AromaticContact CZ-CE1 3.64Å; Y687-F715 AromaticContact CZ-CZ 3.87Å; Y687-F715 WeakPolarHBondContact OH-CE1 3.31Å; Y687-F715 WeakPolarHBondContact OH-CZ 3.18Å; N713-F715 PolarHBondContact O-N 3.07Å
716L61.4Low68.5Low3 Ų360.9 Ų60.92%0.01634%0.338CS..SBendtrans-97.3128.8173.5-62.8162.5000104.7F686 N713 L720 F726 M731 M734F686-L716 HydrophobicContact CD2-CD2 4.17Å; F686-L716 HydrophobicContact CE2-CD2 3.96Å; N713-L716 HydrophobicContact CB-CB 4.46Å; N713-L716 HydrophobicContact CB-CD1 4.18Å; N713-L716 HydrophobicContact CB-CG 4.48Å; N713-L716 PolarHBondContact O-N 3.19Å; L716-L720 HydrophobicContact CB-CB 3.89Å; L716-F726 HydrophobicContact CD1-CD2 4.03Å; L716-F726 HydrophobicContact CD1-CE2 4.02Å; L716-M731 HydrophobicContact CD1-CE 3.68Å; L716-M731 HydrophobicContact CD2-CE 3.82Å; L716-M731 HydrophobicContact CD2-SD 3.77Å; L716-M731 HydrophobicContact CG-CE 4.33Å; L716-M734 HydrophobicContact CD2-SD 4.28Å
717G60.8Low68.8Low47 Ų4761 Ų6149%0.48534%0.338SS..  trans-46.2161.4-170.500000114.1E719 L720 A721G717-E719 PolarHBondContact O-N 2.97Å; G717-L720 PolarHBondContact O-N 3.16Å; G717-A721 PolarHBondContact O-N 3.09Å
718S58.9Low69.2Low113 Ų11359 Ų5979%0.7932%0.322SS*.THydrogen-bonded Turntrans-46.2-33.7-166.658.80000115.8
719E62.2Low69.9Low113 Ų11355.8 Ų55.853%0.52830%0.295SS..THydrogen-bonded Turntrans-69.3-34.6176.7-68.6177.3-16400114G717 Q766 R801G717-E719 PolarHBondContact O-N 2.97Å; E719-Q766 PolarHBondContact OE2-NE2 3.21Å; E719-R801 IonicContact OE1-NH2 3.38Å; E719-R801 PolarHBondContact OE1-NH2 3.21Å; E719-R801 IonicContact OE2-NH2 2.67Å; E719-R801 PolarHBondContact OE2-NH2 2.97Å
720L72.7Confident70.8Confident10 Ų1054.6 Ų54.65%0.05229%0.287CS..THydrogen-bonded Turntrans-101.1-1.3-175.2-63.7171.4000113.1L716 G717 F722 E723 F726 M734 L758 L763L716-L720 HydrophobicContact CB-CB 3.89Å; G717-L720 PolarHBondContact O-N 3.16Å; L720-F722 PolarHBondContact O-N 3.29Å; L720-E723 PolarHBondContact O-N 3.44Å; L720-F726 HydrophobicContact CD2-CZ 4.19Å; L720-M734 HydrophobicContact CD1-CE 3.77Å; L720-M734 HydrophobicContact CD1-SD 3.89Å; L720-L758 HydrophobicContact CD2-CD1 3.31Å; L720-L763 HydrophobicContact CD1-CD2 3.96Å; L720-L763 HydrophobicContact CD2-CD2 4.1Å
721A66.1Low71.9Confident12 Ų1247.9 Ų47.910%0.09925%0.246CC..THydrogen-bonded Turntrans-58.7-33.3-173.600000113G712 N713 G717G712-A721 CarbonylContact C-O 3.57Å; G712-A721 WeakPolarHBondContact CA-O 3.5Å; N713-A721 WeakPolarHBondContact CA-O 3.48Å; N713-A721 WeakPolarHBondContact CB-O 3.37Å; N713-A721 PolarHBondContact N-O 3.26Å; N713-A721 VanDerWaalsContact O-CA 3.3Å; N713-A721 WeakPolarHBondContact O-CA 3.21Å; N713-A721 VanDerWaalsContact O-CB 3.32Å; N713-A721 WeakPolarHBondContact O-CB 3.41Å; G717-A721 PolarHBondContact O-N 3.09Å
722F66.9Low73.3Confident159 Ų15939.7 Ų39.770%0.69721%0.211SC*.THydrogen-bonded Turntrans-95.7-1.6-179.9-62.2-76.8000113.7L720L720-F722 PolarHBondContact O-N 3.29Å
723E72.1Confident74.8Confident38 Ų3839.4 Ų39.418%0.17821%0.208CC..  trans-81.4134178.8-65.6-153.2-167.500111.3L720 F726 L758L720-E723 PolarHBondContact O-N 3.44Å; E723-F726 HydrophobicContact CB-CE2 3.46Å; E723-F726 VanDerWaalsContact CB-CE2 3.46Å; E723-F726 HydrophobicContact CB-CZ 3.42Å; E723-F726 VanDerWaalsContact CB-CZ 3.42Å; E723-F726 HydrophobicContact CG-CZ 4.35Å; E723-F726 WeakPolarHBondContact OE2-CZ 3.49Å; E723-L758 WeakPolarHBondContact OE1-CD1 3.43Å; E723-L758 WeakPolarHBondContact OE2-CD1 3.34Å
724Y75Confident76Confident105 Ų10541.6 Ų41.641%0.41222%0.218SC..  trans-126.2178-177.860.5-87.2000110.2A708 F726 H757A708-Y724 HydrophobicContact CB-CD1 4.2Å; A708-Y724 HydrophobicContact CB-CD2 4.28Å; A708-Y724 HydrophobicContact CB-CG 3.93Å; Y724-F726 PolarHBondContact O-N 3.43Å; Y724-H757 AromaticContact CE1-NE2 3.75Å; Y724-H757 AromaticContact CZ-NE2 3.65Å
725S79.4Confident77.3Confident17 Ų1735.8 Ų35.812%0.11920%0.195CC..  trans63.714.5-179.465.10000116.6S706 T756S706-S725 VanDerWaalsContact O-CA 3.25Å; S706-S725 WeakPolarHBondContact O-CA 3.38Å; S706-S725 PolarHBondContact O-N 2.89Å; S706-S725 PolarHBondContact OG-N 3.35Å; S725-T756 WeakPolarHBondContact O-CG2 3.46Å; S725-T756 WeakPolarHBondContact OG-CB 3.33Å; S725-T756 WeakPolarHBondContact OG-CG2 3.43Å
726F84.3Confident78.7Confident2 Ų235.1 Ų35.11%0.00920%0.199CC..  trans-54.5142.3165-67.5-55.6000110.7H682 K705 S706 L716 L720 E723 Y724 H730 M731 L758 L763H682-F726 PolarHBondContact NE2-O 3.47Å; K705-F726 CarbonylContact C-O 3.45Å; S706-F726 PolarHBondContact N-O 3.24Å; S706-F726 PolarHBondContact OG-N 2.75Å; S706-F726 VanDerWaalsContact OG-N 3.07Å; L716-F726 HydrophobicContact CD1-CD2 4.03Å; L716-F726 HydrophobicContact CD1-CE2 4.02Å; L720-F726 HydrophobicContact CD2-CZ 4.19Å; E723-F726 HydrophobicContact CB-CE2 3.46Å; E723-F726 VanDerWaalsContact CB-CE2 3.46Å; E723-F726 HydrophobicContact CB-CZ 3.42Å; E723-F726 VanDerWaalsContact CB-CZ 3.42Å; E723-F726 HydrophobicContact CG-CZ 4.35Å; E723-F726 WeakPolarHBondContact OE2-CZ 3.49Å; Y724-F726 PolarHBondContact O-N 3.43Å; F726-H730 HydrophobicContact CB-CB 4Å; F726-H730 HydrophobicContact CD1-CB 3.72Å; F726-H730 AromaticContact CD1-CD2 3.87Å; F726-H730 AromaticContact CD1-CG 3.82Å; F726-H730 HydrophobicContact CG-CB 4.23Å; F726-M731 HydrophobicContact CB-CE 3.74Å; F726-M731 HydrophobicContact CD2-CE 3.79Å; F726-M731 HydrophobicContact CG-CE 4.03Å; F726-L758 HydrophobicContact CE1-CB 4.48Å; F726-L763 HydrophobicContact CD1-CD1 4.23Å; F726-L763 HydrophobicContact CE1-CD1 4.02Å
727T88.5Confident80Confident9 Ų935.9 Ų35.96%0.05520%0.203CC..  trans-95.1166.117064.30000109.8K705 L729 H730 M731 V754K705-T727 HydrophobicContact CG-CG2 4.31Å; T727-L729 PolarHBondContact O-N 2.78Å; T727-L729 VanDerWaalsContact O-N 3.12Å; T727-L729 PolarHBondContact OG1-N 2.9Å; T727-H730 PolarHBondContact N-ND1 3.28Å; T727-H730 WeakPolarHBondContact O-CB 3.34Å; T727-H730 PolarHBondContact O-N 3.29Å; T727-H730 PolarHBondContact OG1-ND1 3.04Å; T727-M731 PolarHBondContact O-N 3.05Å; T727-V754 HydrophobicContact CG2-CG1 4.44Å
728P89.1Confident81.4Confident0 Ų037.3 Ų37.30%020%0.197CC..Hα-helixtrans-53.5-30.2170.7-27.534.8000113.1L681 H682 A685 A702 C704 M731 A732 L744L681-P728 HydrophobicContact CD2-CB 4.26Å; L681-P728 HydrophobicContact CD2-CG 3.67Å; L681-P728 HydrophobicContact CG-CB 4.07Å; L681-P728 HydrophobicContact CG-CG 3.81Å; H682-P728 WeakPolarHBondContact NE2-CD 3.42Å; A685-P728 HydrophobicContact CB-CB 4.21Å; A685-P728 WeakPolarHBondContact CB-O 3.29Å; A702-P728 WeakPolarHBondContact O-CD 3.34Å; C704-P728 WeakPolarHBondContact O-CD 3.18Å; P728-M731 PolarHBondContact O-N 3.05Å; P728-A732 WeakPolarHBondContact O-CB 3.26Å; P728-A732 PolarHBondContact O-N 3.1Å; P728-L744 HydrophobicContact CB-CD1 4.17Å; P728-L744 HydrophobicContact CB-CD2 4.33Å
729L90.8Very high82.9Confident1 Ų133 Ų331%0.00517%0.17CC..Hα-helixtrans-65.5-37.9175-177.365.3000112.4T727 M731 A732 A733 V741 L744 L745 V750 P760T727-L729 PolarHBondContact O-N 2.78Å; T727-L729 VanDerWaalsContact O-N 3.12Å; T727-L729 PolarHBondContact OG1-N 2.9Å; L729-M731 VanDerWaalsContact C-N 3.35Å; L729-A732 PolarHBondContact O-N 3.46Å; L729-A733 VanDerWaalsContact O-CB 3.28Å; L729-A733 WeakPolarHBondContact O-CB 3.36Å; L729-A733 PolarHBondContact O-N 3.26Å; L729-V741 HydrophobicContact CD1-CG1 4.14Å; L729-L744 HydrophobicContact CD1-CB 4.24Å; L729-L745 HydrophobicContact CD1-CD2 4.13Å; L729-L745 HydrophobicContact CD1-CG 4.13Å; L729-L745 HydrophobicContact CD2-CD2 3.93Å; L729-V750 HydrophobicContact CB-CG1 4.28Å; L729-V750 HydrophobicContact CD2-CG1 3.73Å; L729-V750 HydrophobicContact CG-CG1 4.47Å; L729-P760 HydrophobicContact CD2-CB 4.43Å; L729-P760 HydrophobicContact CD2-CG 3.94Å; L729-P760 HydrophobicContact CG-CB 4.26Å; L729-P760 HydrophobicContact CG-CG 4.09Å
730H89.6Confident84.3Confident0 Ų027.6 Ų27.60%015%0.145CC..Hα-helixtrans-63.3-43.6174.5-71.286.4000111.2F726 T727 A733 M734 V754 L758 P760 L763F726-H730 HydrophobicContact CB-CB 4Å; F726-H730 HydrophobicContact CD1-CB 3.72Å; F726-H730 AromaticContact CD1-CD2 3.87Å; F726-H730 AromaticContact CD1-CG 3.82Å; F726-H730 HydrophobicContact CG-CB 4.23Å; T727-H730 PolarHBondContact N-ND1 3.28Å; T727-H730 WeakPolarHBondContact O-CB 3.34Å; T727-H730 PolarHBondContact O-N 3.29Å; T727-H730 PolarHBondContact OG1-ND1 3.04Å; H730-A733 PolarHBondContact O-N 2.94Å; H730-M734 PolarHBondContact O-N 3.29Å; H730-V754 PolarHBondContact CE1-O 3.29Å; H730-V754 PolarHBondContact NE2-O 2.96Å; H730-L758 PolarHBondContact NE2-O 2.89Å; H730-P760 VanDerWaalsContact NE2-CD 3.32Å; H730-P760 WeakPolarHBondContact NE2-CD 3.15Å; H730-L763 HydrophobicContact CB-CD1 3.68Å; H730-L763 WeakPolarHBondContact O-CD1 3.25Å
731M88.6Confident85.2Confident2 Ų227.1 Ų27.11%0.0114%0.143CC..Hα-helixtrans-66.1-40.4177.4-63.8-56.6177.700112.2L678 H682 A685 F686 L716 F726 T727 P728 L729 M734 S735L678-M731 HydrophobicContact CD1-CE 4.44Å; L678-M731 HydrophobicContact CD2-CE 3.57Å; H682-M731 HydrophobicContact CB-CG 4.25Å; A685-M731 HydrophobicContact CB-CB 3.96Å; F686-M731 HydrophobicContact CB-CB 4.06Å; F686-M731 HydrophobicContact CB-CG 4.49Å; F686-M731 HydrophobicContact CB-SD 4.37Å; F686-M731 HydrophobicContact CD2-SD 4.03Å; L716-M731 HydrophobicContact CD1-CE 3.68Å; L716-M731 HydrophobicContact CD2-CE 3.82Å; L716-M731 HydrophobicContact CD2-SD 3.77Å; L716-M731 HydrophobicContact CG-CE 4.33Å; F726-M731 HydrophobicContact CB-CE 3.74Å; F726-M731 HydrophobicContact CD2-CE 3.79Å; F726-M731 HydrophobicContact CG-CE 4.03Å; T727-M731 PolarHBondContact O-N 3.05Å; P728-M731 PolarHBondContact O-N 3.05Å; L729-M731 VanDerWaalsContact C-N 3.35Å; M731-M734 PolarHBondContact O-N 3.37Å; M731-S735 PolarHBondContact O-N 2.95Å
732A91.4Very high86.4Confident0 Ų031.6 Ų31.60%016%0.157CC..Hα-helixtrans-66.7-37.3174.900000112.2A685 P728 L729 M734 S735 G736 L740 V741 L744A685-A732 HydrophobicContact CB-CB 4.44Å; P728-A732 WeakPolarHBondContact O-CB 3.26Å; P728-A732 PolarHBondContact O-N 3.1Å; L729-A732 PolarHBondContact O-N 3.46Å; A732-M734 VanDerWaalsContact C-N 3.29Å; A732-M734 PolarHBondContact O-N 3.36Å; A732-S735 WeakPolarHBondContact CA-OG 3.39Å; A732-S735 PolarHBondContact O-N 3.45Å; A732-S735 PolarHBondContact O-OG 3.45Å; A732-G736 PolarHBondContact O-N 3.46Å; A732-L740 HydrophobicContact CB-CD2 3.62Å; A732-L740 HydrophobicContact CB-CG 3.99Å; A732-V741 HydrophobicContact CB-CG2 3.76Å; A732-L744 HydrophobicContact CB-CD1 3.63Å
733A91.2Very high87.5Confident0 Ų026.1 Ų26.10%013%0.134CC..Hα-helixtrans-66.5-33.2176.200000112.1L729 H730 P760 A764 H769 V772L729-A733 VanDerWaalsContact O-CB 3.28Å; L729-A733 WeakPolarHBondContact O-CB 3.36Å; L729-A733 PolarHBondContact O-N 3.26Å; H730-A733 PolarHBondContact O-N 2.94Å; A733-P760 HydrophobicContact CB-CB 3.92Å; A733-P760 WeakPolarHBondContact CB-O 3.44Å; A733-A764 HydrophobicContact CB-CB 4.47Å; A733-H769 PolarHBondContact O-CD2 2.81Å; A733-V772 HydrophobicContact CB-CG1 4.05Å
734M88.5Confident88.3Confident48 Ų4824.4 Ų24.424%0.23613%0.126CC..Hα-helixtrans-74.9-34.8174.3-170.8172.117800112.7F686 L716 L720 H730 M731 A732 G736 H769F686-M734 HydrophobicContact CD2-SD 4.3Å; F686-M734 HydrophobicContact CE2-CE 3.97Å; F686-M734 HydrophobicContact CE2-CG 4.18Å; F686-M734 HydrophobicContact CE2-SD 3.7Å; L716-M734 HydrophobicContact CD2-SD 4.28Å; L720-M734 HydrophobicContact CD1-CE 3.77Å; L720-M734 HydrophobicContact CD1-SD 3.89Å; H730-M734 PolarHBondContact O-N 3.29Å; M731-M734 PolarHBondContact O-N 3.37Å; A732-M734 VanDerWaalsContact C-N 3.29Å; A732-M734 PolarHBondContact O-N 3.36Å; M734-G736 VanDerWaalsContact C-N 3.29Å; M734-G736 PolarHBondContact O-N 3.14Å; M734-H769 PolarHBondContact O-CD2 3.15Å; M734-H769 PolarHBondContact O-NE2 2.86Å
735S86.7Confident89Confident35 Ų3520.4 Ų20.425%0.24511%0.112CC..Hα-helixtrans-70.8-25.5179.373.70000113.2A685 F686 M731 A732 D737A685-S735 WeakPolarHBondContact O-CB 3.4Å; A685-S735 PolarHBondContact O-OG 2.68Å; A685-S735 VanDerWaalsContact O-OG 3.14Å; F686-S735 WeakPolarHBondContact O-CB 3.45Å; M731-S735 PolarHBondContact O-N 2.95Å; A732-S735 WeakPolarHBondContact CA-OG 3.39Å; A732-S735 PolarHBondContact O-N 3.45Å; A732-S735 PolarHBondContact O-OG 3.45Å; S735-D737 VanDerWaalsContact C-N 3.28Å; S735-D737 PolarHBondContact OG-N 3.14Å
736G87.7Confident89.5Confident24 Ų2424.6 Ų24.625%0.24713%0.133CC..THydrogen-bonded Turntrans82.16.5-179.600000113.8A732 M734 E738 H769A732-G736 PolarHBondContact O-N 3.46Å; M734-G736 VanDerWaalsContact C-N 3.29Å; M734-G736 PolarHBondContact O-N 3.14Å; G736-E738 PolarHBondContact O-N 3.04Å; G736-H769 WeakPolarHBondContact CA-CD2 3.39Å; G736-H769 VanDerWaalsContact CA-NE2 3.31Å; G736-H769 WeakPolarHBondContact CA-NE2 3.48Å; G736-H769 PolarHBondContact N-CD2 3.41Å; G736-H769 VanDerWaalsContact N-CD2 3.34Å; G736-H769 PolarHBondContact N-NE2 3.04Å
737D89.5Confident89.6Confident18 Ų1826.6 Ų26.610%0.09615%0.145CC..  trans-77.493.1-180-173.1-5.8000111.5R690 S735 G739 L740 V741R690-D737 WeakPolarHBondContact CG-OD2 3.41Å; R690-D737 IonicContact CZ-OD1 2.69Å; R690-D737 IonicContact CZ-OD2 3.94Å; R690-D737 IonicContact NE-OD1 3.05Å; R690-D737 PolarHBondContact NE-OD1 2.89Å; R690-D737 IonicContact NE-OD2 3.81Å; R690-D737 PolarHBondContact NE-OD2 3.33Å; R690-D737 IonicContact NH2-OD1 2.85Å; R690-D737 PolarHBondContact NH2-OD1 3.34Å; R690-D737 IonicContact NH2-OD2 2.98Å; S735-D737 VanDerWaalsContact C-N 3.28Å; S735-D737 PolarHBondContact OG-N 3.14Å; D737-G739 PolarHBondContact O-N 3.24Å; D737-G739 PolarHBondContact OD1-N 3.09Å; D737-L740 HydrophobicContact CB-CB 3.89Å; D737-L740 PolarHBondContact O-N 3.24Å; D737-L740 VanDerWaalsContact O-N 3.14Å; D737-L740 PolarHBondContact OD1-N 3.03Å; D737-L740 WeakPolarHBondContact OD2-CB 3.41Å; D737-V741 WeakPolarHBondContact O-CG2 3.32Å; D737-V741 PolarHBondContact O-N 3.37Å
738E90.1Very high89.3Confident78 Ų7832 Ų3236%0.36418%0.181SC..Hα-helixtrans-52.2-38.5175.6-170.1-160.712900113G736 R742G736-E738 PolarHBondContact O-N 3.04Å; E738-R742 VanDerWaalsContact O-CB 3.23Å; E738-R742 WeakPolarHBondContact O-CB 3.4Å; E738-R742 PolarHBondContact O-N 3.47Å; E738-R742 IonicContact OE1-CZ 2.88Å; E738-R742 IonicContact OE1-NH1 3.48Å; E738-R742 PolarHBondContact OE1-NH1 3.48Å; E738-R742 IonicContact OE1-NH2 3.27Å; E738-R742 PolarHBondContact OE1-NH2 3.11Å
739G90.1Very high88.9Confident22 Ų2234.9 Ų34.923%0.22721%0.21CC..Hα-helixtrans-66.8-43.7-179.900000111.7D737 M743D737-G739 PolarHBondContact O-N 3.24Å; D737-G739 PolarHBondContact OD1-N 3.09Å; G739-M743 WeakPolarHBondContact O-CB 3.43Å; G739-M743 PolarHBondContact O-N 3.41Å
740L91.7Very high88.4Confident0 Ų036 Ų360%022%0.216CC..Hα-helixtrans-69.1-42.6176-176.870.5000112A685 R690 A732 D737 R742 M743 L744A685-L740 VanDerWaalsContact CA-CD2 3.46Å; A685-L740 HydrophobicContact CB-CD2 3.85Å; A685-L740 WeakPolarHBondContact O-CD2 3.2Å; R690-L740 HydrophobicContact CG-CB 4.33Å; A732-L740 HydrophobicContact CB-CD2 3.62Å; A732-L740 HydrophobicContact CB-CG 3.99Å; D737-L740 HydrophobicContact CB-CB 3.89Å; D737-L740 PolarHBondContact O-N 3.24Å; D737-L740 VanDerWaalsContact O-N 3.14Å; D737-L740 PolarHBondContact OD1-N 3.03Å; D737-L740 WeakPolarHBondContact OD2-CB 3.41Å; L740-R742 VanDerWaalsContact C-N 3.33Å; L740-R742 PolarHBondContact O-N 2.68Å; L740-M743 HydrophobicContact CD1-CE 3.67Å; L740-M743 HydrophobicContact CD1-SD 4.25Å; L740-M743 WeakPolarHBondContact O-CB 2.99Å; L740-M743 PolarHBondContact O-N 2.94Å; L740-L744 HydrophobicContact CG-CD1 4.18Å; L740-L744 WeakPolarHBondContact O-CG 3.43Å; L740-L744 PolarHBondContact O-N 3.31Å
741V91.5Very high88Confident0 Ų042.4 Ų42.40%025%0.247CC..Hα-helixtrans-60.6-44176.2171.40000110.4L729 A732 D737 M743 L744 L745 V772L729-V741 HydrophobicContact CD1-CG1 4.14Å; A732-V741 HydrophobicContact CB-CG2 3.76Å; D737-V741 WeakPolarHBondContact O-CG2 3.32Å; D737-V741 PolarHBondContact O-N 3.37Å; V741-M743 VanDerWaalsContact C-N 3.35Å; V741-M743 PolarHBondContact O-N 2.94Å; V741-L744 PolarHBondContact O-N 3.26Å; V741-L745 HydrophobicContact CG1-CD1 3.77Å; V741-L745 HydrophobicContact CG1-CG 4.26Å; V741-L745 WeakPolarHBondContact O-CB 3.32Å; V741-L745 VanDerWaalsContact O-CG 3.27Å; V741-L745 WeakPolarHBondContact O-CG 3.45Å; V741-L745 PolarHBondContact O-N 2.85Å; V741-V772 HydrophobicContact CG1-CG1 4.34Å; V741-V772 HydrophobicContact CG2-CG1 4.1Å; V741-V772 HydrophobicContact CG2-CG2 4.18Å
742R91.3Very high87.6Confident105 Ų10543.1 Ų43.140%0.39625%0.251SS..Hα-helixtrans-60.4-43.1173.6-173.3177.7-70.8115.8-3.8112.4E738 L740 N746 Q775E738-R742 VanDerWaalsContact O-CB 3.23Å; E738-R742 WeakPolarHBondContact O-CB 3.4Å; E738-R742 PolarHBondContact O-N 3.47Å; E738-R742 IonicContact OE1-CZ 2.88Å; E738-R742 IonicContact OE1-NH1 3.48Å; E738-R742 PolarHBondContact OE1-NH1 3.48Å; E738-R742 IonicContact OE1-NH2 3.27Å; E738-R742 PolarHBondContact OE1-NH2 3.11Å; L740-R742 VanDerWaalsContact C-N 3.33Å; L740-R742 PolarHBondContact O-N 2.68Å; R742-N746 PolarHBondContact O-N 2.87Å; R742-N746 PolarHBondContact O-ND2 3.35Å; R742-Q775 VanDerWaalsContact CB-NE2 3.28Å
743M89.7Confident86.8Confident44 Ų4446 Ų4622%0.21727%0.266CS..Hα-helixtrans-60.9-48.9177.1-174.1-139.7-61.400110.9R690 Q694 L697 G739 L740 V741 N746 V747R690-M743 HydrophobicContact CB-CE 4.39Å; Q694-M743 HydrophobicContact CB-CE 4.15Å; Q694-M743 HydrophobicContact CB-SD 4.46Å; L697-M743 HydrophobicContact CD1-CG 4.38Å; L697-M743 HydrophobicContact CD1-SD 3.25Å; L697-M743 WeakPolarHBondContact CD1-SD 3.36Å; G739-M743 WeakPolarHBondContact O-CB 3.43Å; G739-M743 PolarHBondContact O-N 3.41Å; L740-M743 HydrophobicContact CD1-CE 3.67Å; L740-M743 HydrophobicContact CD1-SD 4.25Å; L740-M743 WeakPolarHBondContact O-CB 2.99Å; L740-M743 PolarHBondContact O-N 2.94Å; V741-M743 VanDerWaalsContact C-N 3.35Å; V741-M743 PolarHBondContact O-N 2.94Å; M743-N746 PolarHBondContact O-N 3.45Å; M743-V747 PolarHBondContact O-N 3.46Å
744L90.7Very high85.7Confident2 Ų247.2 Ų47.21%0.0127%0.274CS..Hα-helixtrans-66-40.7-179.8-69.8172.8000112.6L697 A702 P728 L729 A732 L740 V741 N746 V747 V750L697-L744 HydrophobicContact CD1-CD2 4.09Å; L697-L744 HydrophobicContact CD2-CD2 4.12Å; A702-L744 HydrophobicContact CB-CD2 4.18Å; P728-L744 HydrophobicContact CB-CD1 4.17Å; P728-L744 HydrophobicContact CB-CD2 4.33Å; L729-L744 HydrophobicContact CD1-CB 4.24Å; A732-L744 HydrophobicContact CB-CD1 3.63Å; L740-L744 HydrophobicContact CG-CD1 4.18Å; L740-L744 WeakPolarHBondContact O-CG 3.43Å; L740-L744 PolarHBondContact O-N 3.31Å; V741-L744 PolarHBondContact O-N 3.26Å; L744-N746 PolarHBondContact O-N 2.87Å; L744-V747 WeakPolarHBondContact O-CB 3.46Å; L744-V747 PolarHBondContact O-N 3.34Å; L744-V747 VanDerWaalsContact O-N 3.13Å; L744-V750 WeakPolarHBondContact O-CB 3.33Å; L744-V750 WeakPolarHBondContact O-CG2 3.14Å
745L88.9Confident84.6Confident21 Ų2149.2 Ų49.211%0.1129%0.292CS..Hα-helixtrans-66.9-19.9176.7-72.7174.9000113.5L729 V741 V752 Q775 L776L729-L745 HydrophobicContact CD1-CD2 4.13Å; L729-L745 HydrophobicContact CD1-CG 4.13Å; L729-L745 HydrophobicContact CD2-CD2 3.93Å; V741-L745 HydrophobicContact CG1-CD1 3.77Å; V741-L745 HydrophobicContact CG1-CG 4.26Å; V741-L745 WeakPolarHBondContact O-CB 3.32Å; V741-L745 VanDerWaalsContact O-CG 3.27Å; V741-L745 WeakPolarHBondContact O-CG 3.45Å; V741-L745 PolarHBondContact O-N 2.85Å; L745-V752 HydrophobicContact CD2-CG1 4.32Å; L745-V752 HydrophobicContact CD2-CG2 3.57Å; L745-Q775 HydrophobicContact CD1-CG 4.09Å; L745-L776 HydrophobicContact CD1-CD2 4.35Å
746N89.2Confident83.4Confident105 Ų10548.3 Ų48.356%0.56129%0.285SS*.THydrogen-bonded Turntrans-86.4-11.3175.1-71.4-16.4000112.8R742 M743 L744R742-N746 PolarHBondContact O-N 2.87Å; R742-N746 PolarHBondContact O-ND2 3.35Å; M743-N746 PolarHBondContact O-N 3.45Å; L744-N746 PolarHBondContact O-N 2.87Å
747V87.1Confident82.8Confident44 Ų4449.2 Ų49.227%0.26728%0.283SS..SBendtrans-75.7127.5175.4179.70000109.3L697 A702 M743 L744 G749 V750L697-V747 HydrophobicContact CD1-CG2 4.48Å; A702-V747 HydrophobicContact CB-CB 4.29Å; A702-V747 HydrophobicContact CB-CG1 3.94Å; M743-V747 PolarHBondContact O-N 3.46Å; L744-V747 WeakPolarHBondContact O-CB 3.46Å; L744-V747 PolarHBondContact O-N 3.34Å; L744-V747 VanDerWaalsContact O-N 3.13Å; V747-G749 PolarHBondContact O-N 2.96Å; V747-V750 HydrophobicContact CB-CG2 4.05Å; V747-V750 HydrophobicContact CG1-CG2 4.38Å; V747-V750 PolarHBondContact O-N 3.15Å
748P81.9Confident82.6Confident124 Ų12448.4 Ų48.481%0.80528%0.279SS*.THydrogen-bonded Turntrans-61.1132.8-179.524.1-33.2000111.3
749G79.9Confident82.5Confident59 Ų5944.7 Ų44.761%0.60826%0.262SS*.THydrogen-bonded Turntrans96.7-9.8178.400000115.3T703 V747 Q751T703-G749 WeakPolarHBondContact CG2-O 3.12Å; V747-G749 PolarHBondContact O-N 2.96Å; G749-Q751 PolarHBondContact O-N 3.26Å; G749-Q751 VanDerWaalsContact O-N 3.14Å
750V81.7Confident82.5Confident24 Ų2443.7 Ų43.715%0.14525%0.251CS..  trans-74.7105.1173.3179.60000109.3A702 L729 L744 V747A702-V750 HydrophobicContact CB-CG2 3.56Å; L729-V750 HydrophobicContact CB-CG1 4.28Å; L729-V750 HydrophobicContact CD2-CG1 3.73Å; L729-V750 HydrophobicContact CG-CG1 4.47Å; L744-V750 WeakPolarHBondContact O-CB 3.33Å; L744-V750 WeakPolarHBondContact O-CG2 3.14Å; V747-V750 HydrophobicContact CB-CG2 4.05Å; V747-V750 HydrophobicContact CG1-CG2 4.38Å; V747-V750 PolarHBondContact O-N 3.15Å
751Q81.3Confident82.5Confident136 Ų13643.7 Ų43.764%0.63625%0.251SS*.  trans-85.9143.4173.2-68.5177.5-6.400110G749 V754G749-Q751 PolarHBondContact O-N 3.26Å; G749-Q751 VanDerWaalsContact O-N 3.14Å; Q751-V754 HydrophobicContact CB-CG2 3.71Å; Q751-V754 WeakPolarHBondContact O-CG2 3.37Å
752V79.6Confident82.5Confident17 Ų1743.7 Ų43.710%0.10325%0.251CS..SBendtrans-86.4-21.5-178.5-156.80000111.1L745 P760 L776 R779 Q783L745-V752 HydrophobicContact CD2-CG1 4.32Å; L745-V752 HydrophobicContact CD2-CG2 3.57Å; V752-P760 WeakPolarHBondContact O-CD 3.31Å; V752-L776 HydrophobicContact CG1-CB 4.14Å; V752-L776 HydrophobicContact CG1-CD2 3.32Å; V752-L776 HydrophobicContact CG1-CG 4.3Å; V752-R779 HydrophobicContact CG2-CB 4.14Å; V752-Q783 PolarHBondContact O-NE2 2.91Å
753D73.9Confident82.4Confident60 Ų6038.9 Ų38.932%0.32123%0.233SC..  trans-97.118.8-173.5-56.511000112.4S755 Q783 I786D753-S755 PolarHBondContact O-N 3.27Å; D753-Q783 VanDerWaalsContact OD1-CG 3.25Å; D753-Q783 WeakPolarHBondContact OD1-CG 3.47Å; D753-Q783 PolarHBondContact OD1-NE2 2.89Å; D753-I786 HydrophobicContact CB-CD1 4.49Å
754V69.7Low82.6Confident26 Ų2636.8 Ų36.816%0.15822%0.223CC..  trans-67.196-178.7-178.30000108.9T727 H730 Q751 T756T727-V754 HydrophobicContact CG2-CG1 4.44Å; H730-V754 PolarHBondContact CE1-O 3.29Å; H730-V754 PolarHBondContact NE2-O 2.96Å; Q751-V754 HydrophobicContact CB-CG2 3.71Å; Q751-V754 WeakPolarHBondContact O-CG2 3.37Å; V754-T756 HydrophobicContact CG1-CG2 3.83Å; V754-T756 PolarHBondContact O-N 3.46Å
755S63.9Low82.7Confident89 Ų8936.7 Ų36.762%0.62222%0.222SC*.  trans-78.896.7173.350.50000109.1D753D753-S755 PolarHBondContact O-N 3.27Å
756T61.2Low82.7Confident16 Ų1637 Ų3710%0.09822%0.223CC..SBendtrans-91.1-45.6169.346.50000110.6K705 S725 V754K705-T756 HydrophobicContact CD-CG2 4.5Å; S725-T756 WeakPolarHBondContact O-CG2 3.46Å; S725-T756 WeakPolarHBondContact OG-CB 3.33Å; S725-T756 WeakPolarHBondContact OG-CG2 3.43Å; V754-T756 HydrophobicContact CG1-CG2 3.83Å; V754-T756 PolarHBondContact O-N 3.46Å
757H76.7Confident82.7Confident43 Ų4334.1 Ų34.120%0.19921%0.211CC..SBendtrans-159.5-41.1164.2-72.8-43.3000110Y724 D788 N789Y724-H757 AromaticContact CE1-NE2 3.75Å; Y724-H757 AromaticContact CZ-NE2 3.65Å; H757-D788 WeakPolarHBondContact O-CB 3.3Å; H757-N789 PolarHBondContact ND1-ND2 3.43Å; H757-N789 PolarHBondContact ND1-OD1 3.37Å
758L84.5Confident82.9Confident1 Ų133.2 Ų33.21%0.00521%0.211CC..SBendtrans-110.9152166.4-68.7160.1000108.4L720 E723 F726 H730 H762 L763 D788 L797L720-L758 HydrophobicContact CD2-CD1 3.31Å; E723-L758 WeakPolarHBondContact OE1-CD1 3.43Å; E723-L758 WeakPolarHBondContact OE2-CD1 3.34Å; F726-L758 HydrophobicContact CE1-CB 4.48Å; H730-L758 PolarHBondContact NE2-O 2.89Å; L758-H762 HydrophobicContact CB-CB 4.18Å; L758-H762 HydrophobicContact CD2-CB 3.72Å; L758-L763 HydrophobicContact CB-CG 4.44Å; L758-L763 HydrophobicContact CD1-CD2 3.85Å; L758-D788 HydrophobicContact CD2-CB 3.99Å; L758-L797 HydrophobicContact CD2-CD1 4.09Å
759T88.3Confident83.5Confident1 Ų129.9 Ų29.91%0.00618%0.184CC..  trans-91.3163.4168.269.40000109.9L761 H762 L763 I786T759-L761 PolarHBondContact O-N 3.28Å; T759-L761 VanDerWaalsContact O-N 3.16Å; T759-L761 PolarHBondContact OG1-N 2.86Å; T759-H762 PolarHBondContact N-ND1 3.26Å; T759-H762 WeakPolarHBondContact O-CB 3.29Å; T759-H762 PolarHBondContact O-N 3.16Å; T759-H762 PolarHBondContact OG1-N 3.23Å; T759-H762 PolarHBondContact OG1-ND1 3.5Å; T759-L763 PolarHBondContact O-N 3.11Å; T759-I786 HydrophobicContact CG2-CB 4.26Å; T759-I786 HydrophobicContact CG2-CD1 4.09Å; T759-I786 HydrophobicContact CG2-CG2 3.69Å
760P89.5Confident84.1Confident0 Ų030.4 Ų30.40%017%0.173CC..Hα-helixtrans-56.8-31.1173.3-23.234.5000112.2L729 H730 A733 V752 L763 A764 L776L729-P760 HydrophobicContact CD2-CB 4.43Å; L729-P760 HydrophobicContact CD2-CG 3.94Å; L729-P760 HydrophobicContact CG-CB 4.26Å; L729-P760 HydrophobicContact CG-CG 4.09Å; H730-P760 VanDerWaalsContact NE2-CD 3.32Å; H730-P760 WeakPolarHBondContact NE2-CD 3.15Å; A733-P760 HydrophobicContact CB-CB 3.92Å; A733-P760 WeakPolarHBondContact CB-O 3.44Å; V752-P760 WeakPolarHBondContact O-CD 3.31Å; P760-L763 PolarHBondContact O-N 3.07Å; P760-A764 WeakPolarHBondContact O-CB 3.44Å; P760-A764 PolarHBondContact O-N 3.35Å; P760-L776 HydrophobicContact CB-CD1 3.96Å; P760-L776 HydrophobicContact CB-CD2 4.22Å
761L92.1Very high84.6Confident0 Ų031.9 Ų31.90%019%0.187CC..Hα-helixtrans-67.1-40.1175.7-17764.3000112.2T759 L763 A764 A765 A773 L776 L777 Q783 A794 L810T759-L761 PolarHBondContact O-N 3.28Å; T759-L761 VanDerWaalsContact O-N 3.16Å; T759-L761 PolarHBondContact OG1-N 2.86Å; L761-L763 VanDerWaalsContact C-N 3.32Å; L761-L763 PolarHBondContact O-N 3.13Å; L761-A764 PolarHBondContact O-N 3.39Å; L761-A765 WeakPolarHBondContact O-CB 3.46Å; L761-A765 PolarHBondContact O-N 2.97Å; L761-A773 HydrophobicContact CD1-CB 4.01Å; L761-L776 HydrophobicContact CB-CD1 4.34Å; L761-L777 HydrophobicContact CD1-CD1 4.06Å; L761-L777 HydrophobicContact CD1-CD2 4.49Å; L761-L777 HydrophobicContact CD1-CG 4.02Å; L761-L777 HydrophobicContact CD2-CD2 3.76Å; L761-L777 HydrophobicContact CD2-CG 4.2Å; L761-Q783 HydrophobicContact CD2-CB 3.75Å; L761-A794 HydrophobicContact CD2-CB 4.22Å; L761-A794 HydrophobicContact CG-CB 4.05Å; L761-L810 HydrophobicContact CD2-CD2 4.25Å
762H91.2Very high85.2Confident1 Ų125.4 Ų25.41%0.00516%0.157CC..Hα-helixtrans-59.8-43.9174.6-73.296.5000111.5L758 T759 A765 Q766 I786 R792 A794 L797L758-H762 HydrophobicContact CB-CB 4.18Å; L758-H762 HydrophobicContact CD2-CB 3.72Å; T759-H762 PolarHBondContact N-ND1 3.26Å; T759-H762 WeakPolarHBondContact O-CB 3.29Å; T759-H762 PolarHBondContact O-N 3.16Å; T759-H762 PolarHBondContact OG1-N 3.23Å; T759-H762 PolarHBondContact OG1-ND1 3.5Å; H762-A765 PolarHBondContact O-N 2.9Å; H762-Q766 WeakPolarHBondContact O-CB 3.38Å; H762-Q766 PolarHBondContact O-N 3.43Å; H762-I786 PolarHBondContact CE1-O 2.85Å; H762-I786 PolarHBondContact NE2-O 3.32Å; H762-R792 PolarHBondContact NE2-O 3.06Å; H762-A794 PolarHBondContact CD2-N 2.95Å; H762-A794 PolarHBondContact NE2-N 2.91Å; H762-L797 HydrophobicContact CB-CD1 3.68Å
763L89.8Confident85.8Confident4 Ų424.6 Ų24.62%0.02115%0.152CC..Hα-helixtrans-67.4-44.2178.5-65.7175.7000111.8L720 F726 H730 L758 T759 P760 L761 A765 Q766 S767L720-L763 HydrophobicContact CD1-CD2 3.96Å; L720-L763 HydrophobicContact CD2-CD2 4.1Å; F726-L763 HydrophobicContact CD1-CD1 4.23Å; F726-L763 HydrophobicContact CE1-CD1 4.02Å; H730-L763 HydrophobicContact CB-CD1 3.68Å; H730-L763 WeakPolarHBondContact O-CD1 3.25Å; L758-L763 HydrophobicContact CB-CG 4.44Å; L758-L763 HydrophobicContact CD1-CD2 3.85Å; T759-L763 PolarHBondContact O-N 3.11Å; P760-L763 PolarHBondContact O-N 3.07Å; L761-L763 VanDerWaalsContact C-N 3.32Å; L761-L763 PolarHBondContact O-N 3.13Å; L763-A765 VanDerWaalsContact C-N 3.32Å; L763-A765 PolarHBondContact O-N 3.47Å; L763-Q766 PolarHBondContact O-N 2.81Å; L763-S767 WeakPolarHBondContact O-CB 3.4Å; L763-S767 PolarHBondContact O-N 3.46Å; L763-S767 PolarHBondContact O-OG 3.46Å
764A92.6Very high86.7Confident0 Ų023 Ų230%015%0.149CC..Hα-helixtrans-62-39.5175.600000112.1A733 P760 L761 S767 G768 H769 V772 A773 L776A733-A764 HydrophobicContact CB-CB 4.47Å; P760-A764 WeakPolarHBondContact O-CB 3.44Å; P760-A764 PolarHBondContact O-N 3.35Å; L761-A764 PolarHBondContact O-N 3.39Å; A764-S767 PolarHBondContact O-OG 2.84Å; A764-G768 PolarHBondContact O-N 2.84Å; A764-H769 PolarHBondContact O-N 2.55Å; A764-V772 HydrophobicContact CB-CB 4.33Å; A764-V772 HydrophobicContact CB-CG1 3.83Å; A764-A773 HydrophobicContact CB-CB 4.4Å; A764-L776 HydrophobicContact CB-CD1 4.21Å
765A92.8Very high87.7Confident0 Ų022.9 Ų22.90%015%0.147CC..Hα-helixtrans-69.2-36176.700000112.5L761 H762 L763 A794 A798 H803 I806L761-A765 WeakPolarHBondContact O-CB 3.46Å; L761-A765 PolarHBondContact O-N 2.97Å; H762-A765 PolarHBondContact O-N 2.9Å; L763-A765 VanDerWaalsContact C-N 3.32Å; L763-A765 PolarHBondContact O-N 3.47Å; A765-A794 HydrophobicContact CB-CB 3.98Å; A765-A798 HydrophobicContact CB-CB 4.33Å; A765-H803 PolarHBondContact O-CD2 3.21Å; A765-I806 HydrophobicContact CB-CG2 4.04Å
766Q90.6Very high89Confident28 Ų2818.7 Ų18.713%0.13112%0.118CC..Hα-helixtrans-71.6-40.6175.2-174.11761.400112E719 H762 L763 L797 R801 H803E719-Q766 PolarHBondContact OE2-NE2 3.21Å; H762-Q766 WeakPolarHBondContact O-CB 3.38Å; H762-Q766 PolarHBondContact O-N 3.43Å; L763-Q766 PolarHBondContact O-N 2.81Å; Q766-L797 HydrophobicContact CB-CB 4.24Å; Q766-L797 HydrophobicContact CB-CD1 4.44Å; Q766-R801 HydrophobicContact CG-CG 4.33Å; Q766-R801 WeakPolarHBondContact O-CG 3.45Å; Q766-H803 PolarHBondContact O-NE2 2.94Å
767S88.9Confident90.5Very high43 Ų4318.2 Ų18.230%0.30112%0.115SC..Hα-helixtrans-81.4-16.9-177.663.90000114.2L763 A764 H769L763-S767 WeakPolarHBondContact O-CB 3.4Å; L763-S767 PolarHBondContact O-N 3.46Å; L763-S767 PolarHBondContact O-OG 3.46Å; A764-S767 PolarHBondContact O-OG 2.84Å; S767-H769 PolarHBondContact OG-CD2 2.85Å; S767-H769 PolarHBondContact OG-NE2 3.44Å
768G90.9Very high91Very high25 Ų2520.4 Ų20.426%0.25814%0.135SC..THydrogen-bonded Turntrans92.120.8176.500000114.8A764 L770 H803A764-G768 PolarHBondContact O-N 2.84Å; G768-L770 PolarHBondContact O-N 3.24Å; G768-H803 VanDerWaalsContact CA-CD2 3.49Å; G768-H803 WeakPolarHBondContact CA-CD2 3.2Å; G768-H803 VanDerWaalsContact CA-CE1 3.44Å; G768-H803 WeakPolarHBondContact CA-CE1 3.49Å; G768-H803 VanDerWaalsContact CA-NE2 3.32Å; G768-H803 WeakPolarHBondContact CA-NE2 2.98Å; G768-H803 PolarHBondContact N-NE2 3.42Å
769H93.6Very high91.1Very high54 Ų5427.6 Ų27.625%0.2516%0.162CC..  trans-90.283.5-175.4-61.6-44.2000112.1A733 M734 G736 A764 S767 A771 V772 A773A733-H769 PolarHBondContact O-CD2 2.81Å; M734-H769 PolarHBondContact O-CD2 3.15Å; M734-H769 PolarHBondContact O-NE2 2.86Å; G736-H769 WeakPolarHBondContact CA-CD2 3.39Å; G736-H769 VanDerWaalsContact CA-NE2 3.31Å; G736-H769 WeakPolarHBondContact CA-NE2 3.48Å; G736-H769 PolarHBondContact N-CD2 3.41Å; G736-H769 VanDerWaalsContact N-CD2 3.34Å; G736-H769 PolarHBondContact N-NE2 3.04Å; A764-H769 PolarHBondContact O-N 2.55Å; S767-H769 PolarHBondContact OG-CD2 2.85Å; S767-H769 PolarHBondContact OG-NE2 3.44Å; H769-A771 PolarHBondContact O-N 3.32Å; H769-V772 HydrophobicContact CB-CB 3.92Å; H769-V772 HydrophobicContact CB-CG2 4.02Å; H769-V772 PolarHBondContact O-N 3.2Å; H769-A773 PolarHBondContact O-N 2.92Å
770L93.6Very high91Very high70 Ų7028.8 Ų28.837%0.36617%0.17SC..Hα-helixtrans-54-47-178.8179.867.7000113.3G768 V772 A773 G774 D805 I806 L809G768-L770 PolarHBondContact O-N 3.24Å; L770-V772 VanDerWaalsContact C-N 3.33Å; L770-V772 PolarHBondContact O-N 3.12Å; L770-A773 PolarHBondContact O-N 3.4Å; L770-G774 PolarHBondContact O-N 3.46Å; L770-D805 HydrophobicContact CD1-CB 4.05Å; L770-D805 HydrophobicContact CD2-CB 3.97Å; L770-I806 HydrophobicContact CB-CG1 4.41Å; L770-I806 HydrophobicContact CD1-CG1 4.2Å; L770-L809 HydrophobicContact CD1-CB 4.31Å; L770-L809 HydrophobicContact CD1-CD1 3.77Å
771A92.9Very high90.7Very high55 Ų5532.6 Ų32.646%0.45519%0.194SC..Hα-helixtrans-62.6-41.2-178.400000111.8H769 Q775H769-A771 PolarHBondContact O-N 3.32Å; A771-Q775 WeakPolarHBondContact O-CB 3.17Å; A771-Q775 PolarHBondContact O-N 3.01Å
772V92.9Very high90.3Very high1 Ų135.8 Ų35.81%0.00622%0.216CC..Hα-helixtrans-66.4-47.1175.5174.40000110.3A733 V741 A764 H769 L770 G774 Q775 L776A733-V772 HydrophobicContact CB-CG1 4.05Å; V741-V772 HydrophobicContact CG1-CG1 4.34Å; V741-V772 HydrophobicContact CG2-CG1 4.1Å; V741-V772 HydrophobicContact CG2-CG2 4.18Å; A764-V772 HydrophobicContact CB-CB 4.33Å; A764-V772 HydrophobicContact CB-CG1 3.83Å; H769-V772 HydrophobicContact CB-CB 3.92Å; H769-V772 HydrophobicContact CB-CG2 4.02Å; H769-V772 PolarHBondContact O-N 3.2Å; L770-V772 VanDerWaalsContact C-N 3.33Å; L770-V772 PolarHBondContact O-N 3.12Å; V772-G774 PolarHBondContact O-N 3.26Å; V772-Q775 PolarHBondContact O-N 3.25Å; V772-Q775 VanDerWaalsContact O-N 3.15Å; V772-L776 HydrophobicContact CG1-CD1 3.94Å; V772-L776 HydrophobicContact CG1-CG 4.3Å; V772-L776 VanDerWaalsContact O-CG 3.28Å; V772-L776 WeakPolarHBondContact O-CG 3.43Å; V772-L776 PolarHBondContact O-N 3.32Å
773A93Very high89.8Confident0 Ų035.7 Ų35.70%022%0.216CC..Hα-helixtrans-59-45.4177.900000111.8L761 A764 H769 L770 Q775 L776 L777L761-A773 HydrophobicContact CD1-CB 4.01Å; A764-A773 HydrophobicContact CB-CB 4.4Å; H769-A773 PolarHBondContact O-N 2.92Å; L770-A773 PolarHBondContact O-N 3.4Å; A773-Q775 VanDerWaalsContact C-N 3.34Å; A773-Q775 PolarHBondContact O-N 2.84Å; A773-L776 PolarHBondContact O-N 3.28Å; A773-L777 WeakPolarHBondContact O-CB 3.42Å; A773-L777 WeakPolarHBondContact O-CG 3.49Å; A773-L777 PolarHBondContact O-N 2.97Å
774G92.4Very high89.7Confident25 Ų2535.5 Ų35.526%0.25822%0.215SC..Hα-helixtrans-61.4-40.2174.400000112.7L770 V772 L777 S778L770-G774 PolarHBondContact O-N 3.46Å; V772-G774 PolarHBondContact O-N 3.26Å; G774-L777 PolarHBondContact O-N 2.79Å; G774-S778 WeakPolarHBondContact O-CB 3.12Å; G774-S778 PolarHBondContact O-N 3.39Å
775Q91.1Very high89.5Confident25 Ų2540.8 Ų40.812%0.11724%0.239CC..Hα-helixtrans-67.9-39.3177.2-170.7175.1-3.800112.7R742 L745 A771 V772 A773 S778R742-Q775 VanDerWaalsContact CB-NE2 3.28Å; L745-Q775 HydrophobicContact CD1-CG 4.09Å; A771-Q775 WeakPolarHBondContact O-CB 3.17Å; A771-Q775 PolarHBondContact O-N 3.01Å; V772-Q775 PolarHBondContact O-N 3.25Å; V772-Q775 VanDerWaalsContact O-N 3.15Å; A773-Q775 VanDerWaalsContact C-N 3.34Å; A773-Q775 PolarHBondContact O-N 2.84Å; Q775-S778 PolarHBondContact O-N 3.3Å; Q775-S778 PolarHBondContact O-OG 3.47Å
776L91.2Very high89.3Confident0 Ų042.9 Ų42.90%025%0.25CC..Hα-helixtrans-64.9-45.9175.3-65.1169.9000110.9L745 V752 P760 L761 A764 V772 A773 S778 R779 S780L745-L776 HydrophobicContact CD1-CD2 4.35Å; V752-L776 HydrophobicContact CG1-CB 4.14Å; V752-L776 HydrophobicContact CG1-CD2 3.32Å; V752-L776 HydrophobicContact CG1-CG 4.3Å; P760-L776 HydrophobicContact CB-CD1 3.96Å; P760-L776 HydrophobicContact CB-CD2 4.22Å; L761-L776 HydrophobicContact CB-CD1 4.34Å; A764-L776 HydrophobicContact CB-CD1 4.21Å; V772-L776 HydrophobicContact CG1-CD1 3.94Å; V772-L776 HydrophobicContact CG1-CG 4.3Å; V772-L776 VanDerWaalsContact O-CG 3.28Å; V772-L776 WeakPolarHBondContact O-CG 3.43Å; V772-L776 PolarHBondContact O-N 3.32Å; A773-L776 PolarHBondContact O-N 3.28Å; L776-S778 VanDerWaalsContact C-N 3.32Å; L776-S778 PolarHBondContact O-N 2.84Å; L776-R779 WeakPolarHBondContact O-CB 3.4Å; L776-R779 PolarHBondContact O-N 2.89Å; L776-R779 VanDerWaalsContact O-N 3.11Å; L776-S780 PolarHBondContact O-N 2.95Å
777L91.1Very high89.2Confident6 Ų646.2 Ų46.23%0.03126%0.264CS..Hα-helixtrans-68.4-28.8178.8-71.6167000113.3L761 A773 G774 R779 S780 Q783 V784 L809 L810 Q813L761-L777 HydrophobicContact CD1-CD1 4.06Å; L761-L777 HydrophobicContact CD1-CD2 4.49Å; L761-L777 HydrophobicContact CD1-CG 4.02Å; L761-L777 HydrophobicContact CD2-CD2 3.76Å; L761-L777 HydrophobicContact CD2-CG 4.2Å; A773-L777 WeakPolarHBondContact O-CB 3.42Å; A773-L777 WeakPolarHBondContact O-CG 3.49Å; A773-L777 PolarHBondContact O-N 2.97Å; G774-L777 PolarHBondContact O-N 2.79Å; L777-R779 PolarHBondContact O-N 3.32Å; L777-S780 CarbonylContact O-C 3.46Å; L777-S780 PolarHBondContact O-N 2.86Å; L777-Q783 HydrophobicContact CD2-CB 4.5Å; L777-V784 HydrophobicContact CD2-CG2 3.34Å; L777-L809 HydrophobicContact CD1-CD2 3.14Å; L777-L809 HydrophobicContact CG-CD2 4.49Å; L777-L810 HydrophobicContact CD1-CD2 3.94Å; L777-Q813 HydrophobicContact CD1-CG 4.43Å
778S89.2Confident89.1Confident90 Ų9044.8 Ų44.863%0.62925%0.253SS*.Hα-helixtrans-63.5-21.9172.477.90000113.5G774 Q775 L776G774-S778 WeakPolarHBondContact O-CB 3.12Å; G774-S778 PolarHBondContact O-N 3.39Å; Q775-S778 PolarHBondContact O-N 3.3Å; Q775-S778 PolarHBondContact O-OG 3.47Å; L776-S778 VanDerWaalsContact C-N 3.32Å; L776-S778 PolarHBondContact O-N 2.84Å
779R86.4Confident88.8Confident152 Ų15248.9 Ų48.957%0.57427%0.269SS*.Hα-helixtrans-89.7-39.9176.9-67.3-62.1-170.3170.22.9112.2V752 L776 L777V752-R779 HydrophobicContact CG2-CB 4.14Å; L776-R779 WeakPolarHBondContact O-CB 3.4Å; L776-R779 PolarHBondContact O-N 2.89Å; L776-R779 VanDerWaalsContact O-N 3.11Å; L777-R779 PolarHBondContact O-N 3.32Å
780S84.3Confident88.4Confident25 Ų2552.3 Ų52.318%0.17528%0.283CS..  trans-151.8115.6-179.9-174.90000111L776 L777 S782L776-S780 PolarHBondContact O-N 2.95Å; L777-S780 CarbonylContact O-C 3.46Å; L777-S780 PolarHBondContact O-N 2.86Å; S780-S782 VanDerWaalsContact C-N 3.32Å; S780-S782 PolarHBondContact OG-OG 2.87Å
781T83.4Confident88.1Confident81 Ų8149.3 Ų49.350%0.49727%0.269SS..G310 helixtrans-78.3-17.2175.553.10000112.6Q783 V784T781-Q783 PolarHBondContact O-N 3.3Å; T781-Q783 VanDerWaalsContact O-N 3.11Å; T781-V784 WeakPolarHBondContact O-CG2 3.5Å; T781-V784 PolarHBondContact O-N 3.14Å
782S84Confident88.1Confident66 Ų6648.1 Ų48.146%0.46225%0.253SS..G310 helixtrans-65.9-14.9179.157.90000113.5S780 V784S780-S782 VanDerWaalsContact C-N 3.32Å; S780-S782 PolarHBondContact OG-OG 2.87Å; S782-V784 PolarHBondContact O-N 3.37Å
783Q81.7Confident88Confident0 Ų048.2 Ų48.20%025%0.253CS..G310 helixtrans-65.9-23.7178.8-67.21796.100114.5V752 D753 L761 L777 T781 H785 I786V752-Q783 PolarHBondContact O-NE2 2.91Å; D753-Q783 VanDerWaalsContact OD1-CG 3.25Å; D753-Q783 WeakPolarHBondContact OD1-CG 3.47Å; D753-Q783 PolarHBondContact OD1-NE2 2.89Å; L761-Q783 HydrophobicContact CD2-CB 3.75Å; L777-Q783 HydrophobicContact CD2-CB 4.5Å; T781-Q783 PolarHBondContact O-N 3.3Å; T781-Q783 VanDerWaalsContact O-N 3.11Å; Q783-H785 PolarHBondContact O-N 2.79Å; Q783-I786 HydrophobicContact CB-CD1 4.33Å; Q783-I786 HydrophobicContact CG-CD1 4.26Å; Q783-I786 PolarHBondContact O-N 3.39Å; Q783-I786 VanDerWaalsContact O-N 3.16Å
784V87.7Confident88Confident0 Ų048.3 Ų48.30%025%0.254CS..G310 helixtrans-59.8-32.9-175-179.40000111.5L777 T781 S782 L810 Q813 S815L777-V784 HydrophobicContact CD2-CG2 3.34Å; T781-V784 WeakPolarHBondContact O-CG2 3.5Å; T781-V784 PolarHBondContact O-N 3.14Å; S782-V784 PolarHBondContact O-N 3.37Å; V784-L810 HydrophobicContact CG1-CD2 4.32Å; V784-L810 HydrophobicContact CG2-CD2 4.33Å; V784-Q813 HydrophobicContact CG2-CB 4.09Å; V784-S815 VanDerWaalsContact CG1-CA 3.47Å
785H88.3Confident88.1Confident111 Ų11147.1 Ų47.151%0.51424%0.242SC..G310 helixtrans-92.5-3.3-177-55-67.1000114.3Q783 K787 G814Q783-H785 PolarHBondContact O-N 2.79Å; H785-K787 PolarHBondContact O-N 2.71Å; H785-G814 PolarHBondContact CE1-O 3.22Å
786I88.5Confident88.3Confident43 Ų4346 Ų4622%0.22124%0.236CC..  trans-68.7129-179.6-59.6175.8000108.2D753 T759 H762 Q783D753-I786 HydrophobicContact CB-CD1 4.49Å; T759-I786 HydrophobicContact CG2-CB 4.26Å; T759-I786 HydrophobicContact CG2-CD1 4.09Å; T759-I786 HydrophobicContact CG2-CG2 3.69Å; H762-I786 PolarHBondContact CE1-O 2.85Å; H762-I786 PolarHBondContact NE2-O 3.32Å; Q783-I786 HydrophobicContact CB-CD1 4.33Å; Q783-I786 HydrophobicContact CG-CD1 4.26Å; Q783-I786 PolarHBondContact O-N 3.39Å; Q783-I786 VanDerWaalsContact O-N 3.16Å
787K88.7Confident88.4Confident99 Ų9946.2 Ų46.243%0.4324%0.238SC..  trans-98.9143.8174.9-67.5-175.7172.5-157.30110.1H785 G791 R792 T793 D820H785-K787 PolarHBondContact O-N 2.71Å; K787-G791 VanDerWaalsContact CD-O 3.28Å; K787-G791 WeakPolarHBondContact CD-O 3.36Å; K787-G791 WeakPolarHBondContact CG-O 3.28Å; K787-R792 CarbonylContact C-O 3.58Å; K787-R792 WeakPolarHBondContact CA-O 3.24Å; K787-T793 HydrophobicContact CG-CG2 3.84Å; K787-D820 PolarHBondContact NZ-O 3.15Å; K787-D820 IonicContact NZ-OD1 3.77Å
788D86.6Confident88.5Confident13 Ų1346 Ų467%0.0724%0.236CC..  trans-76.5-178.8169.876.21.5000111.8H757 L758 K790 G791 R792H757-D788 WeakPolarHBondContact O-CB 3.3Å; L758-D788 HydrophobicContact CD2-CB 3.99Å; D788-K790 PolarHBondContact O-N 3.48Å; D788-K790 VanDerWaalsContact O-N 3.13Å; D788-K790 WeakPolarHBondContact OD1-CA 3.35Å; D788-K790 WeakPolarHBondContact OD1-CB 3.41Å; D788-K790 PolarHBondContact OD1-N 2.9Å; D788-G791 PolarHBondContact O-N 3.14Å; D788-G791 PolarHBondContact OD1-N 3.44Å; D788-R792 PolarHBondContact N-O 2.66Å; D788-R792 WeakPolarHBondContact OD1-CB 3.08Å; D788-R792 PolarHBondContact OD1-N 3.22Å; D788-R792 IonicContact OD1-NE 3.8Å; D788-R792 IonicContact OD2-CZ 2.64Å; D788-R792 IonicContact OD2-NE 3.95Å; D788-R792 PolarHBondContact OD2-NE 3.45Å; D788-R792 IonicContact OD2-NH2 3.01Å; D788-R792 PolarHBondContact OD2-NH2 2.85Å
789N84.4Confident88.8Confident110 Ų11041.7 Ų41.759%0.58821%0.206SC*.THydrogen-bonded Turntrans-61-20.5178.4-72.20.7000114.5H757 G791 L822H757-N789 PolarHBondContact ND1-ND2 3.43Å; H757-N789 PolarHBondContact ND1-OD1 3.37Å; N789-G791 VanDerWaalsContact C-N 3.34Å; N789-L822 VanDerWaalsContact O-CD1 3.32Å; N789-L822 WeakPolarHBondContact O-CD1 3.43Å
790K84.8Confident89.1Confident127 Ų12736.3 Ų36.355%0.55219%0.192SC*.THydrogen-bonded Turntrans-91.91.6176.1-63-171.9-176.1-179.70111.9D788 R792 D821 L822D788-K790 PolarHBondContact O-N 3.48Å; D788-K790 VanDerWaalsContact O-N 3.13Å; D788-K790 WeakPolarHBondContact OD1-CA 3.35Å; D788-K790 WeakPolarHBondContact OD1-CB 3.41Å; D788-K790 PolarHBondContact OD1-N 2.9Å; K790-R792 VanDerWaalsContact C-N 3.32Å; K790-R792 HydrophobicContact CB-CG 4.08Å; K790-D821 WeakPolarHBondContact O-CB 3.43Å; K790-L822 WeakPolarHBondContact O-CB 3.26Å; K790-L822 WeakPolarHBondContact O-CG 3.31Å; K790-L822 PolarHBondContact O-N 2.77Å
791G88.5Confident89.5Confident7 Ų740.4 Ų40.47%0.07220%0.204CC..SBendtrans82.85.1-176.100000114.1K787 D788 N789K787-G791 VanDerWaalsContact CD-O 3.28Å; K787-G791 WeakPolarHBondContact CD-O 3.36Å; K787-G791 WeakPolarHBondContact CG-O 3.28Å; D788-G791 PolarHBondContact O-N 3.14Å; D788-G791 PolarHBondContact OD1-N 3.44Å; N789-G791 VanDerWaalsContact C-N 3.34Å
792R91Very high89.9Confident29 Ų2937.6 Ų37.611%0.10919%0.191CC..  trans-81.8135.3-176.3-56.6174.9-61.1175.73.8109.9H762 K787 D788 K790 H796 D821 Y830H762-R792 PolarHBondContact NE2-O 3.06Å; K787-R792 CarbonylContact C-O 3.58Å; K787-R792 WeakPolarHBondContact CA-O 3.24Å; D788-R792 PolarHBondContact N-O 2.66Å; D788-R792 WeakPolarHBondContact OD1-CB 3.08Å; D788-R792 PolarHBondContact OD1-N 3.22Å; D788-R792 IonicContact OD1-NE 3.8Å; D788-R792 IonicContact OD2-CZ 2.64Å; D788-R792 IonicContact OD2-NE 3.95Å; D788-R792 PolarHBondContact OD2-NE 3.45Å; D788-R792 IonicContact OD2-NH2 3.01Å; D788-R792 PolarHBondContact OD2-NH2 2.85Å; K790-R792 VanDerWaalsContact C-N 3.32Å; K790-R792 HydrophobicContact CB-CG 4.08Å; R792-H796 HydrophobicContact CB-CB 3.96Å; R792-H796 HydrophobicContact CG-CB 4.45Å; R792-D821 HydrophobicContact CG-CB 3.86Å; R792-Y830 WeakPolarHBondContact CD-OH 3.09Å
793T92.8Very high90.4Very high4 Ų436.9 Ų36.93%0.02518%0.18CC..  trans-87.1170168.263.80000110.9K787 L795 H796 L797K787-T793 HydrophobicContact CG-CG2 3.84Å; T793-L795 PolarHBondContact O-N 3.42Å; T793-L795 VanDerWaalsContact O-N 3.15Å; T793-L795 PolarHBondContact OG1-N 3.43Å; T793-H796 PolarHBondContact N-ND1 2.83Å; T793-H796 WeakPolarHBondContact O-CB 3.23Å; T793-H796 PolarHBondContact O-N 2.99Å; T793-H796 PolarHBondContact OG1-ND1 3.32Å; T793-L797 PolarHBondContact O-N 3.41Å
794A92.5Very high91Very high1 Ų141.9 Ų41.91%0.00820%0.2CC..Hα-helixtrans-55.8-30.5172.700000112.6L761 H762 A765 L797 A798 L810L761-A794 HydrophobicContact CD2-CB 4.22Å; L761-A794 HydrophobicContact CG-CB 4.05Å; H762-A794 PolarHBondContact CD2-N 2.95Å; H762-A794 PolarHBondContact NE2-N 2.91Å; A765-A794 HydrophobicContact CB-CB 3.98Å; A794-L797 PolarHBondContact O-N 3.09Å; A794-A798 WeakPolarHBondContact O-CB 3.32Å; A794-A798 PolarHBondContact O-N 3.35Å; A794-L810 HydrophobicContact CB-CD1 3.89Å; A794-L810 HydrophobicContact CB-CD2 4.26Å
795L94.9Very high91.4Very high1 Ų146.5 Ų46.51%0.00523%0.225CC..Hα-helixtrans-63.4-41176.6-17170.1000111.9T793 A798 A799 I807 L810 V811 A827T793-L795 PolarHBondContact O-N 3.42Å; T793-L795 VanDerWaalsContact O-N 3.15Å; T793-L795 PolarHBondContact OG1-N 3.43Å; L795-A798 PolarHBondContact O-N 3.26Å; L795-A799 WeakPolarHBondContact O-CB 3.3Å; L795-A799 PolarHBondContact O-N 2.93Å; L795-I807 HydrophobicContact CD1-CB 4.29Å; L795-I807 HydrophobicContact CD1-CG1 4.28Å; L795-I807 HydrophobicContact CD1-CG2 3.85Å; L795-L810 HydrophobicContact CB-CD1 4.39Å; L795-L810 HydrophobicContact CD1-CB 4.16Å; L795-L810 HydrophobicContact CD1-CD1 4.41Å; L795-V811 HydrophobicContact CD1-CG2 3.95Å; L795-A827 HydrophobicContact CD2-CB 3.95Å; L795-A827 HydrophobicContact CG-CB 3.98Å
796H94.3Very high91.6Very high0 Ų041.3 Ų41.30%020%0.201CC..Hα-helixtrans-62.6-43.8177.4-67.586.9000111.7R792 T793 A799 S800 S819 W825 A827 Y830R792-H796 HydrophobicContact CB-CB 3.96Å; R792-H796 HydrophobicContact CG-CB 4.45Å; T793-H796 PolarHBondContact N-ND1 2.83Å; T793-H796 WeakPolarHBondContact O-CB 3.23Å; T793-H796 PolarHBondContact O-N 2.99Å; T793-H796 PolarHBondContact OG1-ND1 3.32Å; H796-A799 PolarHBondContact O-N 3.44Å; H796-S800 WeakPolarHBondContact O-CB 3.16Å; H796-S800 PolarHBondContact O-N 3.45Å; H796-S819 PolarHBondContact CE1-O 3.08Å; H796-S819 PolarHBondContact CE1-OG 3.36Å; H796-S819 PolarHBondContact NE2-O 3.45Å; H796-W825 PolarHBondContact CD2-O 2.85Å; H796-W825 PolarHBondContact NE2-O 2.9Å; H796-W825 VanDerWaalsContact NE2-O 3.14Å; H796-A827 PolarHBondContact CD2-N 2.75Å; H796-A827 PolarHBondContact NE2-N 3.21Å; H796-Y830 HydrophobicContact CB-CD2 4.2Å; H796-Y830 HydrophobicContact CB-CE2 4.31Å; H796-Y830 AromaticContact CD2-CD2 3.7Å; H796-Y830 AromaticContact CD2-CE2 3.75Å
797L92.8Very high92Very high6 Ų639.3 Ų39.33%0.03119%0.19CC..Hα-helixtrans-68.7-41.1179.5-61.1-178.9000111.8L758 H762 Q766 T793 A794 S800 R801L758-L797 HydrophobicContact CD2-CD1 4.09Å; H762-L797 HydrophobicContact CB-CD1 3.68Å; Q766-L797 HydrophobicContact CB-CB 4.24Å; Q766-L797 HydrophobicContact CB-CD1 4.44Å; T793-L797 PolarHBondContact O-N 3.41Å; A794-L797 PolarHBondContact O-N 3.09Å; L797-S800 PolarHBondContact O-N 2.9Å; L797-R801 PolarHBondContact O-N 3.4Å
798A94.7Very high92.2Very high0 Ų036.3 Ų36.30%018%0.182CC..Hα-helixtrans-63.3-42.917400000111.5A765 A794 L795 R801 G802 H803 I806 I807 L810A765-A798 HydrophobicContact CB-CB 4.33Å; A794-A798 WeakPolarHBondContact O-CB 3.32Å; A794-A798 PolarHBondContact O-N 3.35Å; L795-A798 PolarHBondContact O-N 3.26Å; A798-R801 PolarHBondContact O-N 3.19Å; A798-G802 PolarHBondContact O-N 3.42Å; A798-H803 PolarHBondContact O-N 3.23Å; A798-H803 VanDerWaalsContact O-N 3.09Å; A798-I806 HydrophobicContact CB-CB 4.35Å; A798-I806 HydrophobicContact CB-CG2 3.98Å; A798-I807 HydrophobicContact CB-CD1 4.34Å; A798-I807 HydrophobicContact CB-CG1 3.65Å; A798-L810 HydrophobicContact CB-CD1 4.43Å
799A94.8Very high92.6Very high0 Ų037.4 Ų37.40%019%0.188CC..Hα-helixtrans-64.6-38.5177.200000112.8L795 H796 R801 G802 I807 A827 A831 H836 V839L795-A799 WeakPolarHBondContact O-CB 3.3Å; L795-A799 PolarHBondContact O-N 2.93Å; H796-A799 PolarHBondContact O-N 3.44Å; A799-R801 VanDerWaalsContact C-N 3.28Å; A799-R801 PolarHBondContact O-N 3.24Å; A799-G802 PolarHBondContact O-N 3.4Å; A799-I807 HydrophobicContact CB-CD1 4.19Å; A799-A827 HydrophobicContact CB-CB 4.08Å; A799-A827 WeakPolarHBondContact CB-O 3.46Å; A799-A831 HydrophobicContact CB-CB 4.3Å; A799-H836 PolarHBondContact O-CD2 2.97Å; A799-V839 HydrophobicContact CB-CG1 4.41Å
800S92.7Very high93Very high40 Ų4032.2 Ų32.228%0.2816%0.16SC..Hα-helixtrans-61.7-35174.6172.20000112.8H796 L797 A834H796-S800 WeakPolarHBondContact O-CB 3.16Å; H796-S800 PolarHBondContact O-N 3.45Å; L797-S800 PolarHBondContact O-N 2.9Å; S800-A834 VanDerWaalsContact O-CB 3.3Å; S800-A834 WeakPolarHBondContact O-CB 3.34Å
801R92.3Very high93.5Very high110 Ų11027.7 Ų27.742%0.41514%0.143SC..Hα-helixtrans-97.3-11.8-175.9-62.3-72.6177.9179.8-4113.3E719 Q766 L797 A798 A799 H803 H836E719-R801 IonicContact OE1-NH2 3.38Å; E719-R801 PolarHBondContact OE1-NH2 3.21Å; E719-R801 IonicContact OE2-NH2 2.67Å; E719-R801 PolarHBondContact OE2-NH2 2.97Å; Q766-R801 HydrophobicContact CG-CG 4.33Å; Q766-R801 WeakPolarHBondContact O-CG 3.45Å; L797-R801 PolarHBondContact O-N 3.4Å; A798-R801 PolarHBondContact O-N 3.19Å; A799-R801 VanDerWaalsContact C-N 3.28Å; A799-R801 PolarHBondContact O-N 3.24Å; R801-H803 WeakPolarHBondContact CB-NE2 3.18Å; R801-H836 PolarHBondContact O-NE2 2.93Å
802G92.5Very high93.6Very high22 Ų2231.4 Ų31.423%0.22717%0.168CC..THydrogen-bonded Turntrans86.421.5174.800000114.5A798 A799 Y804 H836A798-G802 PolarHBondContact O-N 3.42Å; A799-G802 PolarHBondContact O-N 3.4Å; G802-Y804 PolarHBondContact O-N 2.86Å; G802-H836 WeakPolarHBondContact CA-CD2 3.41Å; G802-H836 WeakPolarHBondContact CA-NE2 3.19Å; G802-H836 PolarHBondContact N-CD2 2.98Å; G802-H836 PolarHBondContact N-NE2 3.47Å
803H94.5Very high93.6Very high52 Ų5234.3 Ų34.324%0.24118%0.182CC..  trans-80.878.6-175.2-62.5-50000111.7A765 Q766 G768 A798 R801 D805 I806 I807A765-H803 PolarHBondContact O-CD2 3.21Å; Q766-H803 PolarHBondContact O-NE2 2.94Å; G768-H803 VanDerWaalsContact CA-CD2 3.49Å; G768-H803 WeakPolarHBondContact CA-CD2 3.2Å; G768-H803 VanDerWaalsContact CA-CE1 3.44Å; G768-H803 WeakPolarHBondContact CA-CE1 3.49Å; G768-H803 VanDerWaalsContact CA-NE2 3.32Å; G768-H803 WeakPolarHBondContact CA-NE2 2.98Å; G768-H803 PolarHBondContact N-NE2 3.42Å; A798-H803 PolarHBondContact O-N 3.23Å; A798-H803 VanDerWaalsContact O-N 3.09Å; R801-H803 WeakPolarHBondContact CB-NE2 3.18Å; H803-D805 VanDerWaalsContact C-N 3.32Å; H803-D805 PolarHBondContact O-N 3.38Å; H803-I806 HydrophobicContact CB-CB 4.12Å; H803-I806 HydrophobicContact CB-CD1 4.11Å; H803-I806 HydrophobicContact CB-CG1 4.19Å; H803-I806 PolarHBondContact O-N 3.34Å; H803-I806 VanDerWaalsContact O-N 3.11Å; H803-I807 VanDerWaalsContact O-CG1 3.32Å; H803-I807 WeakPolarHBondContact O-CG1 3.34Å; H803-I807 PolarHBondContact O-N 3.15Å
804Y94.4Very high93.5Very high104 Ų10436.2 Ų36.241%0.40820%0.203SC..Hα-helixtrans-50.1-46.6-177.6178.3-89.3000113.3G802 I806 I807 S808 F842G802-Y804 PolarHBondContact O-N 2.86Å; Y804-I806 VanDerWaalsContact C-N 3.31Å; Y804-I806 PolarHBondContact O-N 2.97Å; Y804-I807 PolarHBondContact O-N 2.95Å; Y804-I807 VanDerWaalsContact O-N 3.15Å; Y804-S808 PolarHBondContact O-N 3.43Å; Y804-S808 PolarHBondContact O-OG 2.8Å; Y804-F842 HydrophobicContact CD2-CB 4.47Å; Y804-F842 HydrophobicContact CE2-CB 3.85Å; Y804-F842 HydrophobicContact CE2-CD2 4.01Å; Y804-F842 AromaticContact CE2-CG 3.95Å; Y804-F842 HydrophobicContact CE2-CG 3.95Å
805D94.5Very high93.5Very high97 Ų9736.6 Ų36.652%0.51921%0.205SC..Hα-helixtrans-63.9-36.6-177.7-59.8-23.8000112.2L770 H803 S808 L809L770-D805 HydrophobicContact CD1-CB 4.05Å; L770-D805 HydrophobicContact CD2-CB 3.97Å; H803-D805 VanDerWaalsContact C-N 3.32Å; H803-D805 PolarHBondContact O-N 3.38Å; D805-S808 PolarHBondContact O-OG 3.43Å; D805-L809 WeakPolarHBondContact O-CB 3.43Å; D805-L809 PolarHBondContact O-N 3.11Å
806I94.4Very high93.3Very high3 Ų341 Ų412%0.01523%0.229CC..Hα-helixtrans-72.1-38.7176.2-61.6-176.1000110.5A765 L770 A798 H803 Y804 L809 L810A765-I806 HydrophobicContact CB-CG2 4.04Å; L770-I806 HydrophobicContact CB-CG1 4.41Å; L770-I806 HydrophobicContact CD1-CG1 4.2Å; A798-I806 HydrophobicContact CB-CB 4.35Å; A798-I806 HydrophobicContact CB-CG2 3.98Å; H803-I806 HydrophobicContact CB-CB 4.12Å; H803-I806 HydrophobicContact CB-CD1 4.11Å; H803-I806 HydrophobicContact CB-CG1 4.19Å; H803-I806 PolarHBondContact O-N 3.34Å; H803-I806 VanDerWaalsContact O-N 3.11Å; Y804-I806 VanDerWaalsContact C-N 3.31Å; Y804-I806 PolarHBondContact O-N 2.97Å; I806-L809 PolarHBondContact O-N 2.96Å; I806-L810 HydrophobicContact CG2-CD1 3.8Å; I806-L810 HydrophobicContact CG2-CG 4.14Å; I806-L810 WeakPolarHBondContact O-CB 3.3Å; I806-L810 VanDerWaalsContact O-CG 3.28Å; I806-L810 WeakPolarHBondContact O-CG 3.13Å; I806-L810 PolarHBondContact O-N 3.02Å
807I94.9Very high93.2Very high0 Ų041.5 Ų41.50%023%0.232CC..Hα-helixtrans-63.9-47.7178.3-67.4169.2000110.2L795 A798 A799 H803 Y804 L809 L810 V811 V839 F842 L843L795-I807 HydrophobicContact CD1-CB 4.29Å; L795-I807 HydrophobicContact CD1-CG1 4.28Å; L795-I807 HydrophobicContact CD1-CG2 3.85Å; A798-I807 HydrophobicContact CB-CD1 4.34Å; A798-I807 HydrophobicContact CB-CG1 3.65Å; A799-I807 HydrophobicContact CB-CD1 4.19Å; H803-I807 VanDerWaalsContact O-CG1 3.32Å; H803-I807 WeakPolarHBondContact O-CG1 3.34Å; H803-I807 PolarHBondContact O-N 3.15Å; Y804-I807 PolarHBondContact O-N 2.95Å; Y804-I807 VanDerWaalsContact O-N 3.15Å; I807-L809 VanDerWaalsContact C-N 3.3Å; I807-L809 PolarHBondContact O-N 3.48Å; I807-L810 PolarHBondContact O-N 3.24Å; I807-V811 HydrophobicContact CG2-CG2 4.4Å; I807-V811 WeakPolarHBondContact O-CB 3.2Å; I807-V811 VanDerWaalsContact O-CG2 3.32Å; I807-V811 WeakPolarHBondContact O-CG2 3.36Å; I807-V811 PolarHBondContact O-N 2.76Å; I807-V839 HydrophobicContact CD1-CB 4.19Å; I807-V839 HydrophobicContact CD1-CG1 3.35Å; I807-V839 HydrophobicContact CD1-CG2 3.73Å; I807-F842 HydrophobicContact CG2-CD1 3.86Å; I807-F842 HydrophobicContact CG2-CE1 4Å; I807-L843 HydrophobicContact CG2-CD2 4.18Å
808S94.6Very high93.1Very high36 Ų3644 Ų4425%0.25225%0.246SC..Hα-helixtrans-59.8-41.3175.265.90000111.7Y804 D805 S812Y804-S808 PolarHBondContact O-N 3.43Å; Y804-S808 PolarHBondContact O-OG 2.8Å; D805-S808 PolarHBondContact O-OG 3.43Å; S808-S812 VanDerWaalsContact O-CB 3.26Å; S808-S812 WeakPolarHBondContact O-CB 3.19Å; S808-S812 PolarHBondContact O-N 2.86Å; S808-S812 PolarHBondContact O-OG 3.24Å
809L94.2Very high93Very high37 Ų3744.6 Ų44.619%0.19425%0.25CC..Hα-helixtrans-63.1-48.7174.9-169.9150.7000111.3L770 L777 D805 I806 I807 S812 Q813L770-L809 HydrophobicContact CD1-CB 4.31Å; L770-L809 HydrophobicContact CD1-CD1 3.77Å; L777-L809 HydrophobicContact CD1-CD2 3.14Å; L777-L809 HydrophobicContact CG-CD2 4.49Å; D805-L809 WeakPolarHBondContact O-CB 3.43Å; D805-L809 PolarHBondContact O-N 3.11Å; I806-L809 PolarHBondContact O-N 2.96Å; I807-L809 VanDerWaalsContact C-N 3.3Å; I807-L809 PolarHBondContact O-N 3.48Å; L809-S812 PolarHBondContact O-N 2.94Å; L809-S812 PolarHBondContact O-OG 2.93Å; L809-Q813 HydrophobicContact CD2-CG 4.18Å; L809-Q813 VanDerWaalsContact O-CG 3.3Å; L809-Q813 WeakPolarHBondContact O-CG 3.48Å; L809-Q813 PolarHBondContact O-N 3.32Å
810L93.7Very high92.8Very high1 Ų148.5 Ų48.51%0.00527%0.271CS..Hα-helixtrans-63.8-43.3-179.6-72.4171.8000112.6L761 L777 V784 A794 L795 A798 I806 I807 Q813 G814 S815L761-L810 HydrophobicContact CD2-CD2 4.25Å; L777-L810 HydrophobicContact CD1-CD2 3.94Å; V784-L810 HydrophobicContact CG1-CD2 4.32Å; V784-L810 HydrophobicContact CG2-CD2 4.33Å; A794-L810 HydrophobicContact CB-CD1 3.89Å; A794-L810 HydrophobicContact CB-CD2 4.26Å; L795-L810 HydrophobicContact CB-CD1 4.39Å; L795-L810 HydrophobicContact CD1-CB 4.16Å; L795-L810 HydrophobicContact CD1-CD1 4.41Å; A798-L810 HydrophobicContact CB-CD1 4.43Å; I806-L810 HydrophobicContact CG2-CD1 3.8Å; I806-L810 HydrophobicContact CG2-CG 4.14Å; I806-L810 WeakPolarHBondContact O-CB 3.3Å; I806-L810 VanDerWaalsContact O-CG 3.28Å; I806-L810 WeakPolarHBondContact O-CG 3.13Å; I806-L810 PolarHBondContact O-N 3.02Å; I807-L810 PolarHBondContact O-N 3.24Å; L810-Q813 PolarHBondContact O-N 3.28Å; L810-G814 PolarHBondContact O-N 2.99Å; L810-S815 WeakPolarHBondContact O-CB 3.34Å; L810-S815 PolarHBondContact O-N 3.2Å
811V93.5Very high92.8Very high31 Ų3147.1 Ų47.119%0.18826%0.26CS..Hα-helixtrans-64.5-42.1176174.20000110.3L795 I807 Q813 G814 V817 F842L795-V811 HydrophobicContact CD1-CG2 3.95Å; I807-V811 HydrophobicContact CG2-CG2 4.4Å; I807-V811 WeakPolarHBondContact O-CB 3.2Å; I807-V811 VanDerWaalsContact O-CG2 3.32Å; I807-V811 WeakPolarHBondContact O-CG2 3.36Å; I807-V811 PolarHBondContact O-N 2.76Å; V811-Q813 VanDerWaalsContact C-N 3.27Å; V811-Q813 PolarHBondContact O-N 3.47Å; V811-G814 PolarHBondContact O-N 3.45Å; V811-V817 HydrophobicContact CG1-CG2 4.33Å; V811-V817 HydrophobicContact CG2-CG2 4.13Å; V811-F842 HydrophobicContact CB-CE1 4.2Å; V811-F842 HydrophobicContact CG1-CE1 4.45Å; V811-F842 HydrophobicContact CG2-CE1 4.12Å
812S92Very high92.7Very high86 Ų8647.9 Ų47.960%0.60127%0.272SS*.Hα-helixtrans-65-27.4176.474.20000114S808 L809 G814S808-S812 VanDerWaalsContact O-CB 3.26Å; S808-S812 WeakPolarHBondContact O-CB 3.19Å; S808-S812 PolarHBondContact O-N 2.86Å; S808-S812 PolarHBondContact O-OG 3.24Å; L809-S812 PolarHBondContact O-N 2.94Å; L809-S812 PolarHBondContact O-OG 2.93Å; S812-G814 VanDerWaalsContact C-N 3.28Å
813Q91.3Very high92.5Very high89 Ų8952.7 Ų52.742%0.41629%0.288SS..THydrogen-bonded Turntrans-84.21.6174.4-64.4-59.6-43.900113.4L777 V784 L809 L810 V811L777-Q813 HydrophobicContact CD1-CG 4.43Å; V784-Q813 HydrophobicContact CG2-CB 4.09Å; L809-Q813 HydrophobicContact CD2-CG 4.18Å; L809-Q813 VanDerWaalsContact O-CG 3.3Å; L809-Q813 WeakPolarHBondContact O-CG 3.48Å; L809-Q813 PolarHBondContact O-N 3.32Å; L810-Q813 PolarHBondContact O-N 3.28Å; V811-Q813 VanDerWaalsContact C-N 3.27Å; V811-Q813 PolarHBondContact O-N 3.47Å
814G89.9Confident92.3Very high44 Ų4450.8 Ų50.845%0.45428%0.282SS..THydrogen-bonded Turntrans101.120.4173.700000115.6H785 L810 V811 S812 D816H785-G814 PolarHBondContact CE1-O 3.22Å; L810-G814 PolarHBondContact O-N 2.99Å; V811-G814 PolarHBondContact O-N 3.45Å; S812-G814 VanDerWaalsContact C-N 3.28Å; G814-D816 PolarHBondContact O-N 3.07Å
815S91.5Very high92.3Very high9 Ų947.2 Ų47.26%0.06327%0.268CS..  trans-61.9131.8174.2-169.40000111.9V784 L810 V817V784-S815 VanDerWaalsContact CG1-CA 3.47Å; L810-S815 WeakPolarHBondContact O-CB 3.34Å; L810-S815 PolarHBondContact O-N 3.2Å; S815-V817 PolarHBondContact O-N 3.25Å
816D91.2Very high92.3Very high93 Ų9343 Ų4350%0.49725%0.246SC..  trans-72.3116.2172.8-173.10.6000110.6G814 N818 S819G814-D816 PolarHBondContact O-N 3.07Å; D816-N818 VanDerWaalsContact C-N 3.33Å; D816-N818 PolarHBondContact OD1-N 2.96Å; D816-S819 PolarHBondContact O-N 3.14Å; D816-S819 PolarHBondContact O-OG 3.32Å
817V92.2Very high92.3Very high12 Ų1242.8 Ų42.87%0.07325%0.245CC..THydrogen-bonded Turntrans-69.5-32.1-174.41800000111.5V811 S815 L843 A848V811-V817 HydrophobicContact CG1-CG2 4.33Å; V811-V817 HydrophobicContact CG2-CG2 4.13Å; S815-V817 PolarHBondContact O-N 3.25Å; V817-L843 HydrophobicContact CG1-CD2 3.93Å; V817-A848 HydrophobicContact CG1-CB 3.66Å
818N91.8Very high92.2Very high59 Ų5942.9 Ų42.932%0.31625%0.245SC..THydrogen-bonded Turntrans-96.613.5-178-68.8-45.3000112.9D816 D820 G847 A848 D849D816-N818 VanDerWaalsContact C-N 3.33Å; D816-N818 PolarHBondContact OD1-N 2.96Å; N818-D820 PolarHBondContact O-N 3.32Å; N818-G847 PolarHBondContact ND2-O 3.18Å; N818-A848 WeakPolarHBondContact OD1-CA 3.36Å; N818-D849 PolarHBondContact OD1-N 3.47Å
819S91.4Very high92.2Very high12 Ų1241.1 Ų41.18%0.08423%0.233CC..  trans-61.6136171.156.90000110.4H796 D816 T826H796-S819 PolarHBondContact CE1-O 3.08Å; H796-S819 PolarHBondContact CE1-OG 3.36Å; H796-S819 PolarHBondContact NE2-O 3.45Å; D816-S819 PolarHBondContact O-N 3.14Å; D816-S819 PolarHBondContact O-OG 3.32Å; S819-T826 WeakPolarHBondContact O-CA 3.47Å
820D91.1Very high92.2Very high82 Ų8241 Ų4144%0.43923%0.23SC..BIsolated β-bridgetrans-107.2153.5178.658-5.6000111.8K787 N818 W825K787-D820 PolarHBondContact NZ-O 3.15Å; K787-D820 IonicContact NZ-OD1 3.77Å; N818-D820 PolarHBondContact O-N 3.32Å; D820-W825 WeakPolarHBondContact CA-O 3.29Å
821D92Very high92.3Very high11 Ų1141 Ų416%0.05923%0.23CC..  trans-87.2-176.8168.278.71.1000111.7K790 R792 E823 G824 W825 Y830K790-D821 WeakPolarHBondContact O-CB 3.43Å; R792-D821 HydrophobicContact CG-CB 3.86Å; D821-E823 PolarHBondContact O-N 3.33Å; D821-E823 WeakPolarHBondContact OD1-CA 3.49Å; D821-E823 PolarHBondContact OD1-N 3.42Å; D821-G824 PolarHBondContact O-N 2.93Å; D821-G824 PolarHBondContact OD1-N 2.68Å; D821-G824 VanDerWaalsContact OD1-N 3.14Å; D821-W825 PolarHBondContact N-O 2.94Å; D821-W825 WeakPolarHBondContact OD1-CB 3.44Å; D821-W825 PolarHBondContact OD1-N 3.38Å; D821-Y830 WeakPolarHBondContact OD2-CE2 3.38Å; D821-Y830 PolarHBondContact OD2-OH 3.49Å
822L91.3Very high92.3Very high125 Ų12539.5 Ų39.565%0.65422%0.221SC*.THydrogen-bonded Turntrans-66.5-16.4-179-66.7176.4000114N789 K790 L855N789-L822 VanDerWaalsContact O-CD1 3.32Å; N789-L822 WeakPolarHBondContact O-CD1 3.43Å; K790-L822 WeakPolarHBondContact O-CB 3.26Å; K790-L822 WeakPolarHBondContact O-CG 3.31Å; K790-L822 PolarHBondContact O-N 2.77Å; L822-L855 VanDerWaalsContact O-CD1 3.28Å; L822-L855 WeakPolarHBondContact O-CD1 3.43Å
823E88.9Confident92.4Very high124 Ų12438.1 Ų38.158%0.57921%0.207SC*.THydrogen-bonded Turntrans-94.22.3174-66.5-169.7-175.900112.5D821 W825 L855D821-E823 PolarHBondContact O-N 3.33Å; D821-E823 WeakPolarHBondContact OD1-CA 3.49Å; D821-E823 PolarHBondContact OD1-N 3.42Å; E823-W825 VanDerWaalsContact C-N 3.34Å; E823-L855 WeakPolarHBondContact O-CB 3.47Å; E823-L855 WeakPolarHBondContact O-CG 3.18Å; E823-L855 PolarHBondContact O-N 3.38Å
824G90.4Very high92.4Very high11 Ų1135.5 Ų35.511%0.11320%0.201CC..SBendtrans78.515.1-174.500000113.6D821D821-G824 PolarHBondContact O-N 2.93Å; D821-G824 PolarHBondContact OD1-N 2.68Å; D821-G824 VanDerWaalsContact OD1-N 3.14Å
825W93.6Very high92.5Very high29 Ų2934.4 Ų34.411%0.1119%0.189CC..  trans-83123.1178.4-70.347.1000110.3H796 D820 D821 E823 H829 Y830 N833 L863H796-W825 PolarHBondContact CD2-O 2.85Å; H796-W825 PolarHBondContact NE2-O 2.9Å; H796-W825 VanDerWaalsContact NE2-O 3.14Å; D820-W825 WeakPolarHBondContact CA-O 3.29Å; D821-W825 PolarHBondContact N-O 2.94Å; D821-W825 WeakPolarHBondContact OD1-CB 3.44Å; D821-W825 PolarHBondContact OD1-N 3.38Å; E823-W825 VanDerWaalsContact C-N 3.34Å; W825-H829 HydrophobicContact CB-CB 3.98Å; W825-H829 HydrophobicContact CD2-CB 4Å; W825-H829 HydrophobicContact CE3-CB 3.74Å; W825-H829 HydrophobicContact CG-CB 4.13Å; W825-Y830 HydrophobicContact CB-CD2 4.08Å; W825-Y830 HydrophobicContact CB-CE2 3.56Å; W825-Y830 HydrophobicContact CD2-CE2 4.42Å; W825-Y830 HydrophobicContact CE3-CD1 4.25Å; W825-Y830 HydrophobicContact CE3-CD2 4.06Å; W825-Y830 HydrophobicContact CE3-CE1 4.2Å; W825-Y830 AromaticContact CE3-CE2 4Å; W825-Y830 HydrophobicContact CE3-CE2 4Å; W825-Y830 HydrophobicContact CE3-CG 4.2Å; W825-Y830 HydrophobicContact CG-CE2 4.32Å; W825-N833 HydrophobicContact CH2-CB 4.43Å; W825-N833 HydrophobicContact CZ3-CB 3.96Å; W825-L863 HydrophobicContact CH2-CD1 4.16Å; W825-L863 HydrophobicContact CH2-CD2 4.3Å; W825-L863 HydrophobicContact CZ3-CD1 4.18Å
826T94Very high92.7Very high8 Ų836.8 Ų36.85%0.04920%0.2CC..BIsolated β-bridgetrans-82.6167.7168.9630000111.5S819 L828 H829 Y830S819-T826 WeakPolarHBondContact O-CA 3.47Å; T826-L828 PolarHBondContact O-N 3.4Å; T826-L828 VanDerWaalsContact O-N 3.11Å; T826-H829 PolarHBondContact N-ND1 3.14Å; T826-H829 VanDerWaalsContact N-ND1 3.19Å; T826-H829 WeakPolarHBondContact O-CB 3.44Å; T826-H829 PolarHBondContact O-N 3.12Å; T826-H829 PolarHBondContact OG1-ND1 3.01Å; T826-Y830 WeakPolarHBondContact O-CD2 3.27Å; T826-Y830 PolarHBondContact O-N 3.04Å
827A94Very high92.8Very high0 Ų034.3 Ų34.30%019%0.186CC..Hα-helixtrans-54-32172.600000112.6L795 H796 A799 Y830 A831 L843L795-A827 HydrophobicContact CD2-CB 3.95Å; L795-A827 HydrophobicContact CG-CB 3.98Å; H796-A827 PolarHBondContact CD2-N 2.75Å; H796-A827 PolarHBondContact NE2-N 3.21Å; A799-A827 HydrophobicContact CB-CB 4.08Å; A799-A827 WeakPolarHBondContact CB-O 3.46Å; A827-Y830 PolarHBondContact O-N 2.91Å; A827-A831 WeakPolarHBondContact O-CB 3.42Å; A827-A831 PolarHBondContact O-N 3.2Å; A827-L843 HydrophobicContact CB-CD1 4.11Å; A827-L843 HydrophobicContact CB-CD2 4.35Å
828L94.6Very high92.9Very high1 Ų138.8 Ų38.81%0.00521%0.21CC..Hα-helixtrans-65.9-37.5175.9-170.564.1000112.4T826 A831 T832 I840 L843 I844 A848 P850 P860T826-L828 PolarHBondContact O-N 3.4Å; T826-L828 VanDerWaalsContact O-N 3.11Å; L828-A831 PolarHBondContact O-N 3.33Å; L828-T832 HydrophobicContact CD1-CG2 4.35Å; L828-T832 HydrophobicContact CG-CG2 4.39Å; L828-T832 WeakPolarHBondContact O-CB 3.46Å; L828-T832 VanDerWaalsContact O-CG2 3.24Å; L828-T832 WeakPolarHBondContact O-CG2 3.47Å; L828-T832 PolarHBondContact O-N 3.11Å; L828-T832 PolarHBondContact O-OG1 3.33Å; L828-I840 HydrophobicContact CD1-CB 4.33Å; L828-I840 HydrophobicContact CD1-CG1 4.35Å; L828-I840 HydrophobicContact CD1-CG2 3.92Å; L828-L843 HydrophobicContact CD1-CB 4.28Å; L828-L843 HydrophobicContact CD1-CD1 4.44Å; L828-I844 HydrophobicContact CD1-CD1 4.21Å; L828-I844 HydrophobicContact CD1-CG1 4.01Å; L828-I844 HydrophobicContact CD2-CD1 4.33Å; L828-I844 HydrophobicContact CD2-CG1 4.14Å; L828-A848 HydrophobicContact CB-CB 4.38Å; L828-A848 HydrophobicContact CD2-CB 4.14Å; L828-P850 HydrophobicContact CD2-CB 4.43Å; L828-P860 HydrophobicContact CD2-CB 4.37Å; L828-P860 HydrophobicContact CD2-CG 4.05Å; L828-P860 HydrophobicContact CG-CB 4.21Å; L828-P860 HydrophobicContact CG-CG 4.15Å
829H94.4Very high93Very high0 Ų036.2 Ų36.20%020%0.196CC..Hα-helixtrans-63.1-43174.1-71.192.1000111.6W825 T826 T832 N833 S852 K858 P860 L863W825-H829 HydrophobicContact CB-CB 3.98Å; W825-H829 HydrophobicContact CD2-CB 4Å; W825-H829 HydrophobicContact CE3-CB 3.74Å; W825-H829 HydrophobicContact CG-CB 4.13Å; T826-H829 PolarHBondContact N-ND1 3.14Å; T826-H829 VanDerWaalsContact N-ND1 3.19Å; T826-H829 WeakPolarHBondContact O-CB 3.44Å; T826-H829 PolarHBondContact O-N 3.12Å; T826-H829 PolarHBondContact OG1-ND1 3.01Å; H829-T832 WeakPolarHBondContact CA-OG1 3.47Å; H829-T832 PolarHBondContact O-OG1 3.38Å; H829-N833 WeakPolarHBondContact O-CB 3.38Å; H829-N833 PolarHBondContact O-N 2.88Å; H829-S852 PolarHBondContact CE1-O 3.34Å; H829-S852 VanDerWaalsContact CE1-O 3.24Å; H829-S852 PolarHBondContact CE1-OG 2.89Å; H829-S852 PolarHBondContact NE2-O 3.31Å; H829-K858 PolarHBondContact NE2-O 3.5Å; H829-P860 WeakPolarHBondContact NE2-CD 3.29Å; H829-L863 HydrophobicContact CB-CD1 4.01Å
830Y93.7Very high93.2Very high34 Ų3435.6 Ų35.613%0.13319%0.192CC..Hα-helixtrans-65.5-44.4176.7-78.5-84.2000112.2R792 H796 D821 W825 T826 A827 N833 A834R792-Y830 WeakPolarHBondContact CD-OH 3.09Å; H796-Y830 HydrophobicContact CB-CD2 4.2Å; H796-Y830 HydrophobicContact CB-CE2 4.31Å; H796-Y830 AromaticContact CD2-CD2 3.7Å; H796-Y830 AromaticContact CD2-CE2 3.75Å; D821-Y830 WeakPolarHBondContact OD2-CE2 3.38Å; D821-Y830 PolarHBondContact OD2-OH 3.49Å; W825-Y830 HydrophobicContact CB-CD2 4.08Å; W825-Y830 HydrophobicContact CB-CE2 3.56Å; W825-Y830 HydrophobicContact CD2-CE2 4.42Å; W825-Y830 HydrophobicContact CE3-CD1 4.25Å; W825-Y830 HydrophobicContact CE3-CD2 4.06Å; W825-Y830 HydrophobicContact CE3-CE1 4.2Å; W825-Y830 AromaticContact CE3-CE2 4Å; W825-Y830 HydrophobicContact CE3-CE2 4Å; W825-Y830 HydrophobicContact CE3-CG 4.2Å; W825-Y830 HydrophobicContact CG-CE2 4.32Å; T826-Y830 WeakPolarHBondContact O-CD2 3.27Å; T826-Y830 PolarHBondContact O-N 3.04Å; A827-Y830 PolarHBondContact O-N 2.91Å; Y830-N833 PolarHBondContact O-N 2.88Å; Y830-A834 WeakPolarHBondContact O-CB 3.32Å; Y830-A834 PolarHBondContact O-N 3.11Å
831A95Very high93.4Very high0 Ų035.2 Ų35.20%019%0.186CC..Hα-helixtrans-63.9-41.2178.100000112.3A799 A827 L828 A834 G835 H836 V839 I840 L843A799-A831 HydrophobicContact CB-CB 4.3Å; A827-A831 WeakPolarHBondContact O-CB 3.42Å; A827-A831 PolarHBondContact O-N 3.2Å; L828-A831 PolarHBondContact O-N 3.33Å; A831-A834 PolarHBondContact O-N 2.71Å; A831-G835 PolarHBondContact O-N 3.13Å; A831-H836 PolarHBondContact O-N 2.74Å; A831-V839 HydrophobicContact CB-CB 4.32Å; A831-V839 HydrophobicContact CB-CG1 3.71Å; A831-I840 HydrophobicContact CB-CG1 3.81Å; A831-L843 HydrophobicContact CB-CD1 4.1Å
832T94.5Very high93.5Very high0 Ų036.5 Ų36.50%019%0.191CC..Hα-helixtrans-70.8-39.2177.651.70000113.1L828 H829 A834 G835 I840 P860 H869 L876L828-T832 HydrophobicContact CD1-CG2 4.35Å; L828-T832 HydrophobicContact CG-CG2 4.39Å; L828-T832 WeakPolarHBondContact O-CB 3.46Å; L828-T832 VanDerWaalsContact O-CG2 3.24Å; L828-T832 WeakPolarHBondContact O-CG2 3.47Å; L828-T832 PolarHBondContact O-N 3.11Å; L828-T832 PolarHBondContact O-OG1 3.33Å; H829-T832 WeakPolarHBondContact CA-OG1 3.47Å; H829-T832 PolarHBondContact O-OG1 3.38Å; T832-A834 VanDerWaalsContact C-N 3.32Å; T832-A834 PolarHBondContact O-N 3.02Å; T832-G835 PolarHBondContact O-N 3.14Å; T832-I840 HydrophobicContact CG2-CD1 3.67Å; T832-I840 HydrophobicContact CG2-CG1 3.83Å; T832-I840 HydrophobicContact CG2-CG2 4.39Å; T832-P860 HydrophobicContact CG2-CB 3.75Å; T832-H869 PolarHBondContact O-CD2 3.15Å; T832-H869 VanDerWaalsContact O-CD2 3.28Å; T832-L876 HydrophobicContact CG2-CD1 3.72Å
833N93.2Very high93.7Very high57 Ų5730.5 Ų30.531%0.30516%0.16SC..Hα-helixtrans-62.1-41.5173.7-16948.3000111.1W825 H829 Y830 L863 N867 H869W825-N833 HydrophobicContact CH2-CB 4.43Å; W825-N833 HydrophobicContact CZ3-CB 3.96Å; H829-N833 WeakPolarHBondContact O-CB 3.38Å; H829-N833 PolarHBondContact O-N 2.88Å; Y830-N833 PolarHBondContact O-N 2.88Å; N833-L863 HydrophobicContact CB-CB 4.5Å; N833-L863 HydrophobicContact CB-CD1 4.32Å; N833-N867 PolarHBondContact O-ND2 3.42Å; N833-N867 PolarHBondContact OD1-ND2 3.29Å; N833-H869 PolarHBondContact O-NE2 3.02Å
834A92.1Very high93.9Very high35 Ų3526 Ų2629%0.28914%0.139SC..Hα-helixtrans-77.1-25.5178.600000114.1S800 Y830 A831 T832 H836 H869S800-A834 VanDerWaalsContact O-CB 3.3Å; S800-A834 WeakPolarHBondContact O-CB 3.34Å; Y830-A834 WeakPolarHBondContact O-CB 3.32Å; Y830-A834 PolarHBondContact O-N 3.11Å; A831-A834 PolarHBondContact O-N 2.71Å; T832-A834 VanDerWaalsContact C-N 3.32Å; T832-A834 PolarHBondContact O-N 3.02Å; A834-H836 VanDerWaalsContact CB-CD2 3.45Å; A834-H836 WeakPolarHBondContact CB-CD2 3.17Å; A834-H836 WeakPolarHBondContact CB-NE2 3.33Å; A834-H869 PolarHBondContact O-NE2 2.98Å
835G92.5Very high94Very high20 Ų2032.8 Ų32.821%0.20617%0.168CC..THydrogen-bonded Turntrans9519176.500000115.5A831 T832 L837 H869A831-G835 PolarHBondContact O-N 3.13Å; T832-G835 PolarHBondContact O-N 3.14Å; G835-L837 PolarHBondContact O-N 3.01Å; G835-L837 VanDerWaalsContact O-N 3.15Å; G835-H869 VanDerWaalsContact CA-CD2 3.47Å; G835-H869 WeakPolarHBondContact CA-CD2 3.41Å; G835-H869 WeakPolarHBondContact CA-NE2 3.36Å; G835-H869 PolarHBondContact N-NE2 2.81Å
836H94.1Very high93.9Very high60 Ų6033.6 Ų33.628%0.27818%0.178SC..  trans-84.687.2-173.7-61.6-53.1000112.3A799 R801 G802 A831 A834 D838 V839 I840A799-H836 PolarHBondContact O-CD2 2.97Å; R801-H836 PolarHBondContact O-NE2 2.93Å; G802-H836 WeakPolarHBondContact CA-CD2 3.41Å; G802-H836 WeakPolarHBondContact CA-NE2 3.19Å; G802-H836 PolarHBondContact N-CD2 2.98Å; G802-H836 PolarHBondContact N-NE2 3.47Å; A831-H836 PolarHBondContact O-N 2.74Å; A834-H836 VanDerWaalsContact CB-CD2 3.45Å; A834-H836 WeakPolarHBondContact CB-CD2 3.17Å; A834-H836 WeakPolarHBondContact CB-NE2 3.33Å; H836-D838 PolarHBondContact O-N 3.11Å; H836-V839 HydrophobicContact CB-CB 3.96Å; H836-V839 HydrophobicContact CB-CG2 3.99Å; H836-V839 PolarHBondContact O-N 3.29Å; H836-I840 WeakPolarHBondContact O-CD1 3.33Å; H836-I840 VanDerWaalsContact O-CG1 3.23Å; H836-I840 WeakPolarHBondContact O-CG1 3.46Å; H836-I840 PolarHBondContact O-N 3.49Å
837L93.6Very high93.8Very high40 Ų4035.1 Ų35.121%0.20920%0.196CC..Hα-helixtrans-53.4-46.3-175.9-17966.2000113.8G835 V839 I840 K841 E871 P872 F875G835-L837 PolarHBondContact O-N 3.01Å; G835-L837 VanDerWaalsContact O-N 3.15Å; L837-V839 VanDerWaalsContact C-N 3.31Å; L837-V839 PolarHBondContact O-N 2.95Å; L837-I840 WeakPolarHBondContact O-CB 3.14Å; L837-I840 PolarHBondContact O-N 2.77Å; L837-K841 HydrophobicContact CD1-CG 4.45Å; L837-K841 HydrophobicContact CG-CD 4.26Å; L837-K841 WeakPolarHBondContact O-CG 3.13Å; L837-K841 PolarHBondContact O-N 3.19Å; L837-E871 HydrophobicContact CD2-CB 4.02Å; L837-P872 HydrophobicContact CB-CG 4.36Å; L837-P872 HydrophobicContact CD1-CG 4.44Å; L837-F875 HydrophobicContact CD1-CB 4.02Å; L837-F875 HydrophobicContact CD1-CG 4.39Å
838D94.2Very high93.7Very high107 Ų10735.3 Ų35.357%0.57220%0.197SC*.Hα-helixtrans-67.9-35.5-175.1-59.7-26.2000111.6H836 F842H836-D838 PolarHBondContact O-N 3.11Å; D838-F842 WeakPolarHBondContact O-CB 3.31Å; D838-F842 PolarHBondContact O-N 3.39Å
839V95.4Very high93.4Very high4 Ų439.8 Ų39.82%0.02422%0.221CC..Hα-helixtrans-66.9-42.2172.6175.70000110.9A799 I807 A831 H836 L837 F842 L843A799-V839 HydrophobicContact CB-CG1 4.41Å; I807-V839 HydrophobicContact CD1-CB 4.19Å; I807-V839 HydrophobicContact CD1-CG1 3.35Å; I807-V839 HydrophobicContact CD1-CG2 3.73Å; A831-V839 HydrophobicContact CB-CB 4.32Å; A831-V839 HydrophobicContact CB-CG1 3.71Å; H836-V839 HydrophobicContact CB-CB 3.96Å; H836-V839 HydrophobicContact CB-CG2 3.99Å; H836-V839 PolarHBondContact O-N 3.29Å; L837-V839 VanDerWaalsContact C-N 3.31Å; L837-V839 PolarHBondContact O-N 2.95Å; V839-F842 PolarHBondContact O-N 3.48Å; V839-L843 HydrophobicContact CG1-CD1 3.74Å; V839-L843 HydrophobicContact CG1-CG 4.14Å; V839-L843 WeakPolarHBondContact O-CB 3.47Å; V839-L843 VanDerWaalsContact O-CG 3.25Å; V839-L843 WeakPolarHBondContact O-CG 3.49Å; V839-L843 PolarHBondContact O-N 2.93Å
840I94.7Very high93.1Very high0 Ų041.2 Ų41.20%023%0.231CC..Hα-helixtrans-62.3-45.5178.5-66.9160.3000110.7L828 A831 T832 H836 L837 L843 I844 P872 F875 L876L828-I840 HydrophobicContact CD1-CB 4.33Å; L828-I840 HydrophobicContact CD1-CG1 4.35Å; L828-I840 HydrophobicContact CD1-CG2 3.92Å; A831-I840 HydrophobicContact CB-CG1 3.81Å; T832-I840 HydrophobicContact CG2-CD1 3.67Å; T832-I840 HydrophobicContact CG2-CG1 3.83Å; T832-I840 HydrophobicContact CG2-CG2 4.39Å; H836-I840 WeakPolarHBondContact O-CD1 3.33Å; H836-I840 VanDerWaalsContact O-CG1 3.23Å; H836-I840 WeakPolarHBondContact O-CG1 3.46Å; H836-I840 PolarHBondContact O-N 3.49Å; L837-I840 WeakPolarHBondContact O-CB 3.14Å; L837-I840 PolarHBondContact O-N 2.77Å; I840-L843 PolarHBondContact O-N 3.46Å; I840-I844 HydrophobicContact CG2-CD1 4Å; I840-I844 WeakPolarHBondContact O-CB 3.36Å; I840-I844 WeakPolarHBondContact O-CG1 3.5Å; I840-I844 PolarHBondContact O-N 2.92Å; I840-P872 HydrophobicContact CD1-CB 3.68Å; I840-P872 HydrophobicContact CD1-CG 3.87Å; I840-F875 HydrophobicContact CG2-CD1 4.09Å; I840-F875 HydrophobicContact CG2-CE1 4.35Å; I840-L876 HydrophobicContact CG2-CD2 4.29Å
841K94.5Very high92.6Very high73 Ų7343.1 Ų43.132%0.31725%0.249SC..Hα-helixtrans-58.1-51.6175.1-73.2174.7178.6172.90110.7L837 L843 I844 E845 F875L837-K841 HydrophobicContact CD1-CG 4.45Å; L837-K841 HydrophobicContact CG-CD 4.26Å; L837-K841 WeakPolarHBondContact O-CG 3.13Å; L837-K841 PolarHBondContact O-N 3.19Å; K841-L843 PolarHBondContact O-N 3.36Å; K841-I844 PolarHBondContact O-N 3.1Å; K841-E845 WeakPolarHBondContact O-CB 3.23Å; K841-E845 VanDerWaalsContact O-CG 3.31Å; K841-E845 WeakPolarHBondContact O-CG 3.48Å; K841-E845 PolarHBondContact O-N 2.92Å; K841-F875 HydrophobicContact CB-CE1 4.5Å; K841-F875 HydrophobicContact CB-CZ 4.42Å; K841-F875 HydrophobicContact CG-CD1 4.25Å; K841-F875 HydrophobicContact CG-CD2 4.42Å; K841-F875 HydrophobicContact CG-CE1 3.85Å; K841-F875 HydrophobicContact CG-CE2 4.05Å; K841-F875 HydrophobicContact CG-CZ 3.75Å
842F95.1Very high92.3Very high38 Ų3844.4 Ų44.417%0.16726%0.258CS..Hα-helixtrans-61.9-41.9-179.2-177.5-98000113.2Y804 I807 V811 D838 V839 E845 S846Y804-F842 HydrophobicContact CD2-CB 4.47Å; Y804-F842 HydrophobicContact CE2-CB 3.85Å; Y804-F842 HydrophobicContact CE2-CD2 4.01Å; Y804-F842 AromaticContact CE2-CG 3.95Å; Y804-F842 HydrophobicContact CE2-CG 3.95Å; I807-F842 HydrophobicContact CG2-CD1 3.86Å; I807-F842 HydrophobicContact CG2-CE1 4Å; V811-F842 HydrophobicContact CB-CE1 4.2Å; V811-F842 HydrophobicContact CG1-CE1 4.45Å; V811-F842 HydrophobicContact CG2-CE1 4.12Å; D838-F842 WeakPolarHBondContact O-CB 3.31Å; D838-F842 PolarHBondContact O-N 3.39Å; V839-F842 PolarHBondContact O-N 3.48Å; F842-E845 PolarHBondContact O-N 2.95Å; F842-S846 VanDerWaalsContact O-CB 3.26Å; F842-S846 WeakPolarHBondContact O-CB 3.36Å; F842-S846 PolarHBondContact O-N 3.38Å; F842-S846 PolarHBondContact O-OG 2.94Å
843L94.4Very high91.9Very high0 Ų049.1 Ų49.10%028%0.28CS..Hα-helixtrans-64.4-43.5177.2-72172.7000111.3I807 V817 A827 L828 A831 V839 I840 K841 S846 G847 A848I807-L843 HydrophobicContact CG2-CD2 4.18Å; V817-L843 HydrophobicContact CG1-CD2 3.93Å; A827-L843 HydrophobicContact CB-CD1 4.11Å; A827-L843 HydrophobicContact CB-CD2 4.35Å; L828-L843 HydrophobicContact CD1-CB 4.28Å; L828-L843 HydrophobicContact CD1-CD1 4.44Å; A831-L843 HydrophobicContact CB-CD1 4.1Å; V839-L843 HydrophobicContact CG1-CD1 3.74Å; V839-L843 HydrophobicContact CG1-CG 4.14Å; V839-L843 WeakPolarHBondContact O-CB 3.47Å; V839-L843 VanDerWaalsContact O-CG 3.25Å; V839-L843 WeakPolarHBondContact O-CG 3.49Å; V839-L843 PolarHBondContact O-N 2.93Å; I840-L843 PolarHBondContact O-N 3.46Å; K841-L843 PolarHBondContact O-N 3.36Å; L843-S846 CarbonylContact O-C 3.59Å; L843-S846 PolarHBondContact O-N 3.22Å; L843-G847 PolarHBondContact O-N 3.32Å; L843-A848 VanDerWaalsContact C-CB 3.49Å; L843-A848 HydrophobicContact CB-CB 3.97Å; L843-A848 WeakPolarHBondContact O-CB 3.41Å; L843-A848 PolarHBondContact O-N 2.89Å
844I93.6Very high91.6Very high28 Ų2846.7 Ų46.714%0.14427%0.267CS..Hα-helixtrans-66.8-42177.6-69.7176.3000111L828 I840 K841 S846 G847 A848 P850 F875 L876L828-I844 HydrophobicContact CD1-CD1 4.21Å; L828-I844 HydrophobicContact CD1-CG1 4.01Å; L828-I844 HydrophobicContact CD2-CD1 4.33Å; L828-I844 HydrophobicContact CD2-CG1 4.14Å; I840-I844 HydrophobicContact CG2-CD1 4Å; I840-I844 WeakPolarHBondContact O-CB 3.36Å; I840-I844 WeakPolarHBondContact O-CG1 3.5Å; I840-I844 PolarHBondContact O-N 2.92Å; K841-I844 PolarHBondContact O-N 3.1Å; I844-S846 PolarHBondContact O-N 3.48Å; I844-G847 PolarHBondContact O-N 3.31Å; I844-A848 HydrophobicContact CG1-CB 4.49Å; I844-P850 HydrophobicContact CD1-CB 4.38Å; I844-F875 HydrophobicContact CD1-CD1 4.46Å; I844-F875 HydrophobicContact CD1-CE1 3.89Å; I844-L876 HydrophobicContact CD1-CD2 3.7Å
845E93.2Very high91.4Very high155 Ų15551.9 Ų51.972%0.72429%0.289SS*.Hα-helixtrans-61.9-30.7172.9-73.4170.8-170.700112.3K841 F842 G847K841-E845 WeakPolarHBondContact O-CB 3.23Å; K841-E845 VanDerWaalsContact O-CG 3.31Å; K841-E845 WeakPolarHBondContact O-CG 3.48Å; K841-E845 PolarHBondContact O-N 2.92Å; F842-E845 PolarHBondContact O-N 2.95Å; E845-G847 VanDerWaalsContact C-N 3.29Å; E845-G847 PolarHBondContact O-N 3.05Å
846S91.7Very high90.9Very high45 Ų4554.6 Ų54.632%0.31531%0.305SS..THydrogen-bonded Turntrans-832175.4-56.20000114F842 L843 I844F842-S846 VanDerWaalsContact O-CB 3.26Å; F842-S846 WeakPolarHBondContact O-CB 3.36Å; F842-S846 PolarHBondContact O-N 3.38Å; F842-S846 PolarHBondContact O-OG 2.94Å; L843-S846 CarbonylContact O-C 3.59Å; L843-S846 PolarHBondContact O-N 3.22Å; I844-S846 PolarHBondContact O-N 3.48Å
847G91.3Very high90.3Very high41 Ų4153.5 Ų53.542%0.42331%0.31SS..THydrogen-bonded Turntrans99.619.9176.200000116.2N818 L843 I844 E845N818-G847 PolarHBondContact ND2-O 3.18Å; L843-G847 PolarHBondContact O-N 3.32Å; I844-G847 PolarHBondContact O-N 3.31Å; E845-G847 VanDerWaalsContact C-N 3.29Å; E845-G847 PolarHBondContact O-N 3.05Å
848A91.4Very high89.8Confident4 Ų455.3 Ų55.33%0.03332%0.316CS..  trans-69.7130.4172.100000111.9V817 N818 L828 L843 I844 P850V817-A848 HydrophobicContact CG1-CB 3.66Å; N818-A848 WeakPolarHBondContact OD1-CA 3.36Å; L828-A848 HydrophobicContact CB-CB 4.38Å; L828-A848 HydrophobicContact CD2-CB 4.14Å; L843-A848 VanDerWaalsContact C-CB 3.49Å; L843-A848 HydrophobicContact CB-CB 3.97Å; L843-A848 WeakPolarHBondContact O-CB 3.41Å; L843-A848 PolarHBondContact O-N 2.89Å; I844-A848 HydrophobicContact CG1-CB 4.49Å; A848-P850 WeakPolarHBondContact O-CD 3.33Å
849D88.9Confident89.5Confident94 Ų9451.1 Ų51.150%0.50329%0.294SS..  trans-79.9115.7179.2-74-29.6000111.7N818 S851 S852N818-D849 PolarHBondContact OD1-N 3.47Å; D849-S851 PolarHBondContact O-N 3.09Å; D849-S852 PolarHBondContact O-N 2.87Å; D849-S852 PolarHBondContact O-OG 3.3Å
850P87Confident89.2Confident31 Ų3151 Ų5120%0.20129%0.293CS..THydrogen-bonded Turntrans-73.3-12.8-178.130.5-35.6000113.6L828 I844 A848 I859 L876 Q879L828-P850 HydrophobicContact CD2-CB 4.43Å; I844-P850 HydrophobicContact CD1-CB 4.38Å; A848-P850 WeakPolarHBondContact O-CD 3.33Å; P850-I859 WeakPolarHBondContact O-CG2 3.31Å; P850-L876 HydrophobicContact CB-CD2 4.29Å; P850-Q879 HydrophobicContact CG-CB 4.43Å
851S85.1Confident88.9Confident74 Ų7451.3 Ų51.352%0.51729%0.294SS..THydrogen-bonded Turntrans-967177.760.90000113.6D849 E853D849-S851 PolarHBondContact O-N 3.09Å; S851-E853 PolarHBondContact O-N 3.34Å
852S86.8Confident88.6Confident26 Ų2648.3 Ų48.318%0.18228%0.282CS..PPolyproline II helixtrans-61.5128176.662.10000110.1H829 D849 P860H829-S852 PolarHBondContact CE1-O 3.34Å; H829-S852 VanDerWaalsContact CE1-O 3.24Å; H829-S852 PolarHBondContact CE1-OG 2.89Å; H829-S852 PolarHBondContact NE2-O 3.31Å; D849-S852 PolarHBondContact O-N 2.87Å; D849-S852 PolarHBondContact O-OG 3.3Å; S852-P860 WeakPolarHBondContact O-CD 3.4Å
853E86.6Confident88.4Confident99 Ų9946.8 Ų46.846%0.46328%0.276SS..PPolyproline II helixtrans-98.1131.8176.9-67.9178-167.800110.4S851 I859 Q885S851-E853 PolarHBondContact O-N 3.34Å; E853-I859 HydrophobicContact CG-CG1 3.91Å; E853-Q885 PolarHBondContact OE1-NE2 3.46Å
854S87.7Confident88.3Confident6 Ų646.8 Ų46.84%0.04228%0.276CS..PPolyproline II helixtrans-67.6167.2164.362.10000111.3S856 G857 K858S854-S856 PolarHBondContact O-N 3.13Å; S854-S856 PolarHBondContact OG-OG 3.36Å; S854-G857 PolarHBondContact O-N 2.77Å; S854-K858 PolarHBondContact N-O 3.02Å; S854-K858 WeakPolarHBondContact OG-CB 3.3Å; S854-K858 PolarHBondContact OG-N 2.8Å; S854-K858 PolarHBondContact OG-O 3.47Å; S854-K858 VanDerWaalsContact OG-O 3.06Å
855L87.9Confident88.1Confident145 Ų14545.5 Ų45.576%0.75927%0.27SS*.THydrogen-bonded Turntrans-58.8-19.3173.8-67.4177.7000113.5L822 E823 G857L822-L855 VanDerWaalsContact O-CD1 3.28Å; L822-L855 WeakPolarHBondContact O-CD1 3.43Å; E823-L855 WeakPolarHBondContact O-CB 3.47Å; E823-L855 WeakPolarHBondContact O-CG 3.18Å; E823-L855 PolarHBondContact O-N 3.38Å; L855-G857 VanDerWaalsContact C-N 3.31Å
856S80.9Confident87.9Confident76 Ų7640 Ų4053%0.53125%0.251SS..THydrogen-bonded Turntrans-85.51.5174.270.10000114.4S854 K858S854-S856 PolarHBondContact O-N 3.13Å; S854-S856 PolarHBondContact OG-OG 3.36Å; S856-K858 PolarHBondContact O-N 2.91Å; S856-K858 WeakPolarHBondContact OG-CG 3.4Å
857G82.1Confident87.8Confident37 Ų3741.1 Ų41.138%0.38125%0.253SS..SBendtrans74.65.4-174.200000114.1S854 L855S854-G857 PolarHBondContact O-N 2.77Å; L855-G857 VanDerWaalsContact C-N 3.31Å
858K83.4Confident87.7Confident79 Ų7941.2 Ų41.234%0.34324%0.244SC..  trans-77.5128.6177.5-65.4179-169.8172.40110.2H829 S854 S856 S862 L863H829-K858 PolarHBondContact NE2-O 3.5Å; S854-K858 PolarHBondContact N-O 3.02Å; S854-K858 WeakPolarHBondContact OG-CB 3.3Å; S854-K858 PolarHBondContact OG-N 2.8Å; S854-K858 PolarHBondContact OG-O 3.47Å; S854-K858 VanDerWaalsContact OG-O 3.06Å; S856-K858 PolarHBondContact O-N 2.91Å; S856-K858 WeakPolarHBondContact OG-CG 3.4Å; K858-S862 WeakPolarHBondContact CB-OG 3.45Å; K858-L863 HydrophobicContact CD-CD2 3.75Å
859I87.7Confident87.6Confident19 Ų1943.3 Ų43.310%0.09725%0.253CS..  trans-92.9150.8171.8-61.1166.2000108.1P850 E853 M861 S862 L863 L886P850-I859 WeakPolarHBondContact O-CG2 3.31Å; E853-I859 HydrophobicContact CG-CG1 3.91Å; I859-M861 HydrophobicContact CG2-CB 4.34Å; I859-M861 PolarHBondContact O-N 3.14Å; I859-S862 PolarHBondContact N-OG 2.86Å; I859-S862 WeakPolarHBondContact O-CA 3.43Å; I859-S862 WeakPolarHBondContact O-CB 3.35Å; I859-S862 PolarHBondContact O-N 2.67Å; I859-S862 PolarHBondContact O-OG 3.39Å; I859-L863 PolarHBondContact O-N 3.31Å; I859-L886 HydrophobicContact CD1-CD2 4Å
860P88.9Confident87.7Confident0 Ų040.4 Ų40.40%024%0.237CC..Hα-helixtrans-51.4-34.2179.1-28.233.6000114.1L828 H829 T832 S852 S862 L863 A864L828-P860 HydrophobicContact CD2-CB 4.37Å; L828-P860 HydrophobicContact CD2-CG 4.05Å; L828-P860 HydrophobicContact CG-CB 4.21Å; L828-P860 HydrophobicContact CG-CG 4.15Å; H829-P860 WeakPolarHBondContact NE2-CD 3.29Å; T832-P860 HydrophobicContact CG2-CB 3.75Å; S852-P860 WeakPolarHBondContact O-CD 3.4Å; P860-S862 VanDerWaalsContact C-N 3.34Å; P860-S862 PolarHBondContact O-N 3.13Å; P860-L863 PolarHBondContact O-N 2.95Å; P860-A864 PolarHBondContact O-N 3.4Å; P860-A864 VanDerWaalsContact O-N 3.09Å
861M89.1Confident87.9Confident7 Ų743.6 Ų43.63%0.03425%0.249CC..Hα-helixtrans-62.2-37.9174.3-172.1-173.5-69.400113I859 L863 A864 A865 L873 L876 L877 H881 L886 F892I859-M861 HydrophobicContact CG2-CB 4.34Å; I859-M861 PolarHBondContact O-N 3.14Å; M861-L863 VanDerWaalsContact C-N 3.31Å; M861-L863 PolarHBondContact O-N 3.16Å; M861-A864 PolarHBondContact O-N 2.92Å; M861-A865 PolarHBondContact O-N 3.41Å; M861-L873 HydrophobicContact CG-CD1 3.58Å; M861-L876 HydrophobicContact CB-CB 4.4Å; M861-L876 HydrophobicContact CB-CD1 4.37Å; M861-L876 VanDerWaalsContact CE-C 3.5Å; M861-L876 HydrophobicContact CE-CB 4.08Å; M861-L876 VanDerWaalsContact CE-O 3.28Å; M861-L876 WeakPolarHBondContact CE-O 3.47Å; M861-L876 HydrophobicContact CG-CB 4.39Å; M861-L877 HydrophobicContact CE-CD2 3.91Å; M861-L877 HydrophobicContact CE-CG 4.24Å; M861-L877 HydrophobicContact SD-CD2 3.56Å; M861-L877 VanDerWaalsContact SD-CD2 3.56Å; M861-L877 HydrophobicContact SD-CG 4.18Å; M861-H881 HydrophobicContact CE-CB 3.87Å; M861-L886 HydrophobicContact SD-CD1 3.81Å; M861-F892 HydrophobicContact CG-CE2 4.06Å; M861-F892 HydrophobicContact CG-CZ 4.29Å; M861-F892 HydrophobicContact SD-CE2 4.26Å; M861-F892 HydrophobicContact SD-CZ 3.89Å
862S88.1Confident88.2Confident10 Ų1040.4 Ų40.47%0.0723%0.227CC..Hα-helixtrans-66.8-34177.273.40000112.3K858 I859 P860 A865 A866K858-S862 WeakPolarHBondContact CB-OG 3.45Å; I859-S862 PolarHBondContact N-OG 2.86Å; I859-S862 WeakPolarHBondContact O-CA 3.43Å; I859-S862 WeakPolarHBondContact O-CB 3.35Å; I859-S862 PolarHBondContact O-N 2.67Å; I859-S862 PolarHBondContact O-OG 3.39Å; P860-S862 VanDerWaalsContact C-N 3.34Å; P860-S862 PolarHBondContact O-N 3.13Å; S862-A865 PolarHBondContact O-N 2.94Å; S862-A866 WeakPolarHBondContact O-CB 3.37Å; S862-A866 PolarHBondContact O-N 3.43Å
863L90.6Very high88.4Confident6 Ų639.2 Ų39.23%0.03122%0.218CC..Hα-helixtrans-69.8-40.6175-64.1174.5000111.3W825 H829 N833 K858 I859 P860 M861 A865 A866 N867W825-L863 HydrophobicContact CH2-CD1 4.16Å; W825-L863 HydrophobicContact CH2-CD2 4.3Å; W825-L863 HydrophobicContact CZ3-CD1 4.18Å; H829-L863 HydrophobicContact CB-CD1 4.01Å; N833-L863 HydrophobicContact CB-CB 4.5Å; N833-L863 HydrophobicContact CB-CD1 4.32Å; K858-L863 HydrophobicContact CD-CD2 3.75Å; I859-L863 PolarHBondContact O-N 3.31Å; P860-L863 PolarHBondContact O-N 2.95Å; M861-L863 VanDerWaalsContact C-N 3.31Å; M861-L863 PolarHBondContact O-N 3.16Å; L863-A865 VanDerWaalsContact C-N 3.33Å; L863-A865 PolarHBondContact O-N 3.09Å; L863-A866 PolarHBondContact O-N 3.37Å; L863-N867 PolarHBondContact O-N 2.64Å
864A91.8Very high88.6Confident0 Ų037.5 Ų37.50%021%0.208CC..Hα-helixtrans-61.5-41.1174.400000111.9P860 M861 N868 H869 P872 L873 L876P860-A864 PolarHBondContact O-N 3.4Å; P860-A864 VanDerWaalsContact O-N 3.09Å; M861-A864 PolarHBondContact O-N 2.92Å; A864-N868 PolarHBondContact O-N 3.4Å; A864-H869 HydrophobicContact CB-CB 4.44Å; A864-H869 PolarHBondContact O-N 2.83Å; A864-P872 HydrophobicContact CB-CB 4.29Å; A864-L873 HydrophobicContact CB-CB 4.02Å; A864-L873 HydrophobicContact CB-CD1 4.24Å; A864-L876 HydrophobicContact CB-CD1 4.28Å
865A90.4Very high88.8Confident1 Ų139.3 Ų39.31%0.00822%0.215CC..Hα-helixtrans-67.1-46.5173.900000112.2M861 S862 L863 N867 N868 L873 F892 D895 C899M861-A865 PolarHBondContact O-N 3.41Å; S862-A865 PolarHBondContact O-N 2.94Å; L863-A865 VanDerWaalsContact C-N 3.33Å; L863-A865 PolarHBondContact O-N 3.09Å; A865-N867 VanDerWaalsContact C-N 3.28Å; A865-N867 PolarHBondContact O-N 3.01Å; A865-N868 PolarHBondContact O-N 3.44Å; A865-L873 HydrophobicContact CB-CD1 4.15Å; A865-L873 HydrophobicContact CB-CD2 4.2Å; A865-F892 HydrophobicContact CB-CD2 4.13Å; A865-F892 HydrophobicContact CB-CE2 4.01Å; A865-D895 HydrophobicContact CB-CB 4.18Å; A865-C899 PolarHBondContact O-SG 3.07Å
866A89.4Confident88.9Confident40 Ų4032.6 Ų32.633%0.33118%0.18SC..Hα-helixtrans-59.4-38-179.400000112.9S862 L863S862-A866 WeakPolarHBondContact O-CB 3.37Å; S862-A866 PolarHBondContact O-N 3.43Å; L863-A866 PolarHBondContact O-N 3.37Å
867N89.1Confident89.3Confident69 Ų6929 Ų2937%0.36915%0.154SC..THydrogen-bonded Turntrans-93.14.3-178.4-65.3-19.4000114.4N833 L863 A865N833-N867 PolarHBondContact O-ND2 3.42Å; N833-N867 PolarHBondContact OD1-ND2 3.29Å; L863-N867 PolarHBondContact O-N 2.64Å; A865-N867 VanDerWaalsContact C-N 3.28Å; A865-N867 PolarHBondContact O-N 3.01Å
868N88.7Confident89.6Confident42 Ų4234 Ų3423%0.22516%0.162CC..THydrogen-bonded Turntrans61.236.4-177.2-53.5-94.4000115.2A864 A865 I870 K902A864-N868 PolarHBondContact O-N 3.4Å; A865-N868 PolarHBondContact O-N 3.44Å; N868-I870 PolarHBondContact O-N 2.95Å; N868-K902 VanDerWaalsContact CG-NZ 3.3Å; N868-K902 PolarHBondContact ND2-NZ 3.18Å; N868-K902 PolarHBondContact OD1-NZ 2.86Å; N868-K902 VanDerWaalsContact OD1-NZ 3.11Å
869H90.2Very high89.6Confident49 Ų4933.3 Ų33.323%0.22716%0.16CC..  trans-89.185.6176.9-65.1-48.9000111.3T832 N833 A834 G835 A864 E871 P872 L873T832-H869 PolarHBondContact O-CD2 3.15Å; T832-H869 VanDerWaalsContact O-CD2 3.28Å; N833-H869 PolarHBondContact O-NE2 3.02Å; A834-H869 PolarHBondContact O-NE2 2.98Å; G835-H869 VanDerWaalsContact CA-CD2 3.47Å; G835-H869 WeakPolarHBondContact CA-CD2 3.41Å; G835-H869 WeakPolarHBondContact CA-NE2 3.36Å; G835-H869 PolarHBondContact N-NE2 2.81Å; A864-H869 HydrophobicContact CB-CB 4.44Å; A864-H869 PolarHBondContact O-N 2.83Å; H869-E871 PolarHBondContact O-N 3.05Å; H869-P872 HydrophobicContact CB-CB 4.1Å; H869-P872 HydrophobicContact CB-CG 3.92Å; H869-L873 WeakPolarHBondContact O-CB 3.4Å; H869-L873 PolarHBondContact O-N 2.99Å
870I90.2Very high89.3Confident33 Ų3341.9 Ų41.917%0.16920%0.196CC..Hα-helixtrans-59.2-50.5-172.8-29.9157.3000113.1N868 L873 R874 Y903N868-I870 PolarHBondContact O-N 2.95Å; I870-L873 CarbonylContact O-C 3.55Å; I870-L873 WeakPolarHBondContact O-CB 3.27Å; I870-L873 PolarHBondContact O-N 3.43Å; I870-L873 VanDerWaalsContact O-N 3.13Å; I870-R874 HydrophobicContact CG2-CG 4.11Å; I870-R874 WeakPolarHBondContact O-CB 3.37Å; I870-R874 WeakPolarHBondContact O-CG 3.29Å; I870-R874 PolarHBondContact O-N 3.49Å; I870-Y903 HydrophobicContact CB-CD2 4.44Å; I870-Y903 HydrophobicContact CB-CE2 4.46Å; I870-Y903 HydrophobicContact CD1-CD1 3.29Å; I870-Y903 HydrophobicContact CD1-CD2 3.73Å; I870-Y903 HydrophobicContact CD1-CE1 2.96Å; I870-Y903 HydrophobicContact CD1-CE2 3.49Å; I870-Y903 VanDerWaalsContact CD1-CE2 3.49Å; I870-Y903 HydrophobicContact CD1-CG 3.64Å; I870-Y903 WeakPolarHBondContact CD1-OH 3.28Å; I870-Y903 HydrophobicContact CG1-CD1 4.06Å; I870-Y903 HydrophobicContact CG1-CD2 3.5Å; I870-Y903 VanDerWaalsContact CG1-CD2 3.5Å; I870-Y903 HydrophobicContact CG1-CE1 3.75Å; I870-Y903 HydrophobicContact CG1-CE2 3.17Å; I870-Y903 HydrophobicContact CG1-CG 3.93Å; I870-Y903 HydrophobicContact CG2-CD2 4.18Å; I870-Y903 HydrophobicContact CG2-CG 4.26Å
871E90.4Very high89Confident98 Ų9843.8 Ų43.846%0.45821%0.205SC..Hα-helixtrans-69-45-170.7-63.1-59.1149.800110.1L837 H869 L873 R874 F875L837-E871 HydrophobicContact CD2-CB 4.02Å; H869-E871 PolarHBondContact O-N 3.05Å; E871-L873 VanDerWaalsContact C-N 3.32Å; E871-L873 PolarHBondContact O-N 2.88Å; E871-R874 PolarHBondContact O-N 3.37Å; E871-F875 WeakPolarHBondContact O-CB 3.35Å; E871-F875 PolarHBondContact O-N 3.43Å
872P92Very high88.8Confident7 Ų747.5 Ų47.55%0.04523%0.225CC..Hα-helixtrans-52.9-46.1164.4-33.741.4000113.6L837 I840 A864 H869 F875 L876L837-P872 HydrophobicContact CB-CG 4.36Å; L837-P872 HydrophobicContact CD1-CG 4.44Å; I840-P872 HydrophobicContact CD1-CB 3.68Å; I840-P872 HydrophobicContact CD1-CG 3.87Å; A864-P872 HydrophobicContact CB-CB 4.29Å; H869-P872 HydrophobicContact CB-CB 4.1Å; H869-P872 HydrophobicContact CB-CG 3.92Å; P872-F875 PolarHBondContact O-N 2.86Å; P872-L876 WeakPolarHBondContact O-CB 3.35Å; P872-L876 WeakPolarHBondContact O-CG 3.48Å; P872-L876 PolarHBondContact O-N 3.26Å
873L91.9Very high88.6Confident0 Ų047.1 Ų47.10%022%0.223CC..Hα-helixtrans-63.4-47.8-178.5-178.162.7000111.8M861 A864 A865 H869 I870 E871 F875 L876 L877 M896 C899 P907M861-L873 HydrophobicContact CG-CD1 3.58Å; A864-L873 HydrophobicContact CB-CB 4.02Å; A864-L873 HydrophobicContact CB-CD1 4.24Å; A865-L873 HydrophobicContact CB-CD1 4.15Å; A865-L873 HydrophobicContact CB-CD2 4.2Å; H869-L873 WeakPolarHBondContact O-CB 3.4Å; H869-L873 PolarHBondContact O-N 2.99Å; I870-L873 CarbonylContact O-C 3.55Å; I870-L873 WeakPolarHBondContact O-CB 3.27Å; I870-L873 PolarHBondContact O-N 3.43Å; I870-L873 VanDerWaalsContact O-N 3.13Å; E871-L873 VanDerWaalsContact C-N 3.32Å; E871-L873 PolarHBondContact O-N 2.88Å; L873-F875 VanDerWaalsContact C-N 3.35Å; L873-F875 PolarHBondContact O-N 3.24Å; L873-L876 PolarHBondContact O-N 3.3Å; L873-L877 HydrophobicContact CD1-CD1 4.3Å; L873-L877 HydrophobicContact CD1-CG 4.29Å; L873-L877 HydrophobicContact CG-CD1 3.91Å; L873-L877 HydrophobicContact CG-CG 4.35Å; L873-L877 VanDerWaalsContact O-CB 3.29Å; L873-L877 WeakPolarHBondContact O-CB 3.25Å; L873-L877 WeakPolarHBondContact O-CG 3.45Å; L873-L877 PolarHBondContact O-N 2.84Å; L873-M896 HydrophobicContact CD1-CE 4.07Å; L873-M896 HydrophobicContact CD2-CE 4.14Å; L873-M896 HydrophobicContact CD2-SD 3.93Å; L873-M896 HydrophobicContact CG-CE 4.45Å; L873-C899 HydrophobicContact CD2-CB 4.45Å; L873-P907 HydrophobicContact CD2-CB 4Å
874R90.7Very high88.1Confident63 Ų6348.3 Ų48.324%0.23823%0.227CC..Hα-helixtrans-63.4-40.3177.5-72.8-179.677.1-158.45.4111.6I870 E871 L877 R878 D910I870-R874 HydrophobicContact CG2-CG 4.11Å; I870-R874 WeakPolarHBondContact O-CB 3.37Å; I870-R874 WeakPolarHBondContact O-CG 3.29Å; I870-R874 PolarHBondContact O-N 3.49Å; E871-R874 PolarHBondContact O-N 3.37Å; R874-L877 PolarHBondContact O-N 3.29Å; R874-R878 WeakPolarHBondContact O-CG 3.28Å; R874-R878 PolarHBondContact O-N 3.29Å; R874-D910 IonicContact CZ-OD2 3.33Å; R874-D910 IonicContact NE-OD2 2.79Å; R874-D910 PolarHBondContact NE-OD2 2.86Å; R874-D910 IonicContact NH2-OD2 2.91Å
875F91.3Very high87.7Confident44 Ų4451.9 Ų51.919%0.19324%0.244CC..Hα-helixtrans-62.7-48175.1-178.3-107.9000111.2L837 I840 K841 I844 E871 P872 L873 L877 R878 Q879L837-F875 HydrophobicContact CD1-CB 4.02Å; L837-F875 HydrophobicContact CD1-CG 4.39Å; I840-F875 HydrophobicContact CG2-CD1 4.09Å; I840-F875 HydrophobicContact CG2-CE1 4.35Å; K841-F875 HydrophobicContact CB-CE1 4.5Å; K841-F875 HydrophobicContact CB-CZ 4.42Å; K841-F875 HydrophobicContact CG-CD1 4.25Å; K841-F875 HydrophobicContact CG-CD2 4.42Å; K841-F875 HydrophobicContact CG-CE1 3.85Å; K841-F875 HydrophobicContact CG-CE2 4.05Å; K841-F875 HydrophobicContact CG-CZ 3.75Å; I844-F875 HydrophobicContact CD1-CD1 4.46Å; I844-F875 HydrophobicContact CD1-CE1 3.89Å; E871-F875 WeakPolarHBondContact O-CB 3.35Å; E871-F875 PolarHBondContact O-N 3.43Å; P872-F875 PolarHBondContact O-N 2.86Å; L873-F875 VanDerWaalsContact C-N 3.35Å; L873-F875 PolarHBondContact O-N 3.24Å; F875-L877 VanDerWaalsContact C-N 3.34Å; F875-L877 PolarHBondContact O-N 3.45Å; F875-R878 PolarHBondContact O-N 3.3Å; F875-Q879 PolarHBondContact O-N 2.83Å
876L90.8Very high87.4Confident4 Ų452 Ų522%0.02124%0.244CC..Hα-helixtrans-64.7-36.2176.9-69169.6000112.4T832 I840 I844 P850 M861 A864 P872 L873 R878 Q879T832-L876 HydrophobicContact CG2-CD1 3.72Å; I840-L876 HydrophobicContact CG2-CD2 4.29Å; I844-L876 HydrophobicContact CD1-CD2 3.7Å; P850-L876 HydrophobicContact CB-CD2 4.29Å; M861-L876 HydrophobicContact CB-CB 4.4Å; M861-L876 HydrophobicContact CB-CD1 4.37Å; M861-L876 VanDerWaalsContact CE-C 3.5Å; M861-L876 HydrophobicContact CE-CB 4.08Å; M861-L876 VanDerWaalsContact CE-O 3.28Å; M861-L876 WeakPolarHBondContact CE-O 3.47Å; M861-L876 HydrophobicContact CG-CB 4.39Å; A864-L876 HydrophobicContact CB-CD1 4.28Å; P872-L876 WeakPolarHBondContact O-CB 3.35Å; P872-L876 WeakPolarHBondContact O-CG 3.48Å; P872-L876 PolarHBondContact O-N 3.26Å; L873-L876 PolarHBondContact O-N 3.3Å; L876-R878 PolarHBondContact O-N 3.5Å; L876-Q879 WeakPolarHBondContact O-CB 3.05Å; L876-Q879 PolarHBondContact O-N 3.26Å
877L89.3Confident87.2Confident0 Ų050.9 Ų50.90%023%0.233CC..Hα-helixtrans-65.2-23.7176.4-78.3170.7000112.8M861 L873 R874 F875 H881 M896 P907 D910 F911 N914M861-L877 HydrophobicContact CE-CD2 3.91Å; M861-L877 HydrophobicContact CE-CG 4.24Å; M861-L877 HydrophobicContact SD-CD2 3.56Å; M861-L877 VanDerWaalsContact SD-CD2 3.56Å; M861-L877 HydrophobicContact SD-CG 4.18Å; L873-L877 HydrophobicContact CD1-CD1 4.3Å; L873-L877 HydrophobicContact CD1-CG 4.29Å; L873-L877 HydrophobicContact CG-CD1 3.91Å; L873-L877 HydrophobicContact CG-CG 4.35Å; L873-L877 VanDerWaalsContact O-CB 3.29Å; L873-L877 WeakPolarHBondContact O-CB 3.25Å; L873-L877 WeakPolarHBondContact O-CG 3.45Å; L873-L877 PolarHBondContact O-N 2.84Å; R874-L877 PolarHBondContact O-N 3.29Å; F875-L877 VanDerWaalsContact C-N 3.34Å; F875-L877 PolarHBondContact O-N 3.45Å; L877-H881 PolarHBondContact O-CE1 2.84Å; L877-M896 HydrophobicContact CD1-CE 4.32Å; L877-M896 HydrophobicContact CD2-CE 4.3Å; L877-P907 HydrophobicContact CD1-CB 4.27Å; L877-P907 WeakPolarHBondContact CD1-O 3.33Å; L877-D910 HydrophobicContact CD1-CB 4.39Å; L877-F911 HydrophobicContact CD1-CB 4.48Å; L877-F911 HydrophobicContact CD2-CB 3.79Å; L877-F911 HydrophobicContact CD2-CD2 3.5Å; L877-F911 VanDerWaalsContact CD2-CD2 3.5Å; L877-F911 HydrophobicContact CD2-CG 4.09Å; L877-N914 WeakPolarHBondContact O-CB 3.43Å; L877-N914 PolarHBondContact O-ND2 2.88Å
878R86.8Confident87Confident143 Ų14354.2 Ų54.254%0.5425%0.246SC..Hα-helixtrans-81.5-19.9172.9-68.7173.3-175.9-1661.2112.4R874 F875 L876R874-R878 WeakPolarHBondContact O-CG 3.28Å; R874-R878 PolarHBondContact O-N 3.29Å; F875-R878 PolarHBondContact O-N 3.3Å; L876-R878 PolarHBondContact O-N 3.5Å
879Q84.3Confident86.9Confident65 Ų6555 Ų5530%0.30425%0.251SS..SBendtrans-77161.9174-57.7-57.7-24.200111.1P850 F875 L876 H881P850-Q879 HydrophobicContact CG-CB 4.43Å; F875-Q879 PolarHBondContact O-N 2.83Å; L876-Q879 WeakPolarHBondContact O-CB 3.05Å; L876-Q879 PolarHBondContact O-N 3.26Å; Q879-H881 PolarHBondContact O-N 3.15Å; Q879-H881 PolarHBondContact O-ND1 3.39Å
880K81.2Confident86.8Confident198 Ų19858.8 Ų58.886%0.86127%0.266SS*.  trans-65.5124.5176.7-67.1-178.7-178.1176.50110
881H82.7Confident86.7Confident41 Ų4163.3 Ų63.319%0.1929%0.285CS..  trans-142.4156.4178.356.7-83.6000110.7M861 L877 Q879 T883 L886 F911M861-H881 HydrophobicContact CE-CB 3.87Å; L877-H881 PolarHBondContact O-CE1 2.84Å; Q879-H881 PolarHBondContact O-N 3.15Å; Q879-H881 PolarHBondContact O-ND1 3.39Å; H881-T883 WeakPolarHBondContact NE2-CG2 3.46Å; H881-T883 PolarHBondContact O-N 3.46Å; H881-L886 HydrophobicContact CB-CD1 4.48Å; H881-F911 AromaticContact NE2-CD2 3.77Å; H881-F911 AromaticContact NE2-CE2 3.8Å
882N84.2Confident86.7Confident84 Ų8458.7 Ų58.745%0.44926%0.263SS..  trans-85.291.3178.2-168.83.7000110.5Y884 Q885 L886N882-Y884 VanDerWaalsContact C-N 3.31Å; N882-Y884 PolarHBondContact O-N 3.35Å; N882-Q885 HydrophobicContact CB-CB 4.37Å; N882-Q885 PolarHBondContact ND2-OE1 3.37Å; N882-Q885 PolarHBondContact O-N 3.06Å; N882-L886 PolarHBondContact O-N 2.96Å
883T84.1Confident86.6Confident3 Ų358.4 Ų58.42%0.01826%0.261CS..Hα-helixtrans-58.3-40.1-175.950.40000113.4H881 Q885 L886 V887 F911 P916H881-T883 WeakPolarHBondContact NE2-CG2 3.46Å; H881-T883 PolarHBondContact O-N 3.46Å; T883-Q885 PolarHBondContact O-N 3.23Å; T883-L886 PolarHBondContact O-N 3.02Å; T883-V887 VanDerWaalsContact O-CG2 3.31Å; T883-V887 WeakPolarHBondContact O-CG2 3.47Å; T883-V887 PolarHBondContact O-N 3.25Å; T883-F911 HydrophobicContact CG2-CE2 4.23Å; T883-P916 WeakPolarHBondContact OG1-CD 3.33Å
884Y80.9Confident86.5Confident31 Ų3160.3 Ų60.312%0.12227%0.27CS..Hα-helixtrans-65.6-40.2-174.9-63.2-77.1000112.3N882 L886 V887 E888 P916 K976 D1387N882-Y884 VanDerWaalsContact C-N 3.31Å; N882-Y884 PolarHBondContact O-N 3.35Å; Y884-L886 VanDerWaalsContact C-N 3.32Å; Y884-L886 PolarHBondContact O-N 3.28Å; Y884-V887 PolarHBondContact O-N 3.16Å; Y884-E888 PolarHBondContact O-N 3.04Å; Y884-P916 HydrophobicContact CE2-CG 3.71Å; Y884-K976 HydrophobicContact CD1-CD 4.31Å; Y884-K976 HydrophobicContact CD2-CD 3.8Å; Y884-K976 HydrophobicContact CE1-CB 4.47Å; Y884-K976 HydrophobicContact CE1-CD 4.03Å; Y884-K976 HydrophobicContact CE1-CG 4.14Å; Y884-K976 HydrophobicContact CE2-CD 3.49Å; Y884-K976 VanDerWaalsContact CE2-CD 3.49Å; Y884-K976 HydrophobicContact CE2-CG 4.28Å; Y884-K976 HydrophobicContact CG-CD 4.19Å; Y884-D1387 PolarHBondContact OH-OD1 3.08Å; Y884-D1387 PolarHBondContact OH-OD2 3.13Å
885Q83.6Confident86.4Confident75 Ų7558.6 Ų58.635%0.3527%0.265SS..Hα-helixtrans-64.8-37.9175.2-174177.6-0.900111.8E853 N882 T883 E888 D889E853-Q885 PolarHBondContact OE1-NE2 3.46Å; N882-Q885 HydrophobicContact CB-CB 4.37Å; N882-Q885 PolarHBondContact ND2-OE1 3.37Å; N882-Q885 PolarHBondContact O-N 3.06Å; T883-Q885 PolarHBondContact O-N 3.23Å; Q885-E888 PolarHBondContact O-N 2.77Å; Q885-D889 PolarHBondContact O-N 2.89Å
886L84.8Confident86.3Confident4 Ų456.5 Ų56.52%0.02126%0.256CS..Hα-helixtrans-71.7-32.6177.5-70.3171.8000113.1I859 M861 H881 N882 T883 Y884 E888 D889 F892 F911I859-L886 HydrophobicContact CD1-CD2 4Å; M861-L886 HydrophobicContact SD-CD1 3.81Å; H881-L886 HydrophobicContact CB-CD1 4.48Å; N882-L886 PolarHBondContact O-N 2.96Å; T883-L886 PolarHBondContact O-N 3.02Å; Y884-L886 VanDerWaalsContact C-N 3.32Å; Y884-L886 PolarHBondContact O-N 3.28Å; L886-E888 PolarHBondContact O-N 2.83Å; L886-D889 PolarHBondContact O-N 3.49Å; L886-F892 HydrophobicContact CB-CD1 3.84Å; L886-F892 HydrophobicContact CB-CE1 3.72Å; L886-F892 HydrophobicContact CD1-CE1 4.22Å; L886-F892 HydrophobicContact CD1-CZ 4.27Å; L886-F892 HydrophobicContact CD2-CD1 3.97Å; L886-F892 HydrophobicContact CD2-CD2 4.38Å; L886-F892 HydrophobicContact CD2-CE1 4.05Å; L886-F892 HydrophobicContact CD2-CE2 4.43Å; L886-F892 HydrophobicContact CD2-CG 4.12Å; L886-F892 HydrophobicContact CD2-CZ 4.24Å; L886-F892 HydrophobicContact CG-CD1 4.43Å; L886-F892 HydrophobicContact CG-CE1 4.22Å; L886-F892 WeakPolarHBondContact O-CD1 3.29Å; L886-F911 HydrophobicContact CB-CE2 4.28Å; L886-F911 HydrophobicContact CB-CZ 4.11Å; L886-F911 HydrophobicContact CD1-CE2 4.1Å
887V84.8Confident86.2Confident15 Ų1556.4 Ų56.49%0.09126%0.256CS..Hα-helixtrans-68.2-25.4174.5172.90000111.5T883 Y884 L893 F911 Q924 L925T883-V887 VanDerWaalsContact O-CG2 3.31Å; T883-V887 WeakPolarHBondContact O-CG2 3.47Å; T883-V887 PolarHBondContact O-N 3.25Å; Y884-V887 PolarHBondContact O-N 3.16Å; V887-L893 WeakPolarHBondContact O-CD1 3.2Å; V887-F911 HydrophobicContact CG2-CE1 3.97Å; V887-F911 HydrophobicContact CG2-CZ 3.97Å; V887-Q924 HydrophobicContact CG1-CB 4.21Å; V887-L925 HydrophobicContact CG2-CD2 4.36Å
888E84.1Confident86.1Confident140 Ų14058 Ų5865%0.65427%0.265SS*.Hα-helixtrans-80.5-26174-67.6-174.6169.500113Y884 Q885 L886 K890Y884-E888 PolarHBondContact O-N 3.04Å; Q885-E888 PolarHBondContact O-N 2.77Å; L886-E888 PolarHBondContact O-N 2.83Å; E888-K890 PolarHBondContact O-N 3.24Å
889D86.3Confident86.1Confident59 Ų5951.3 Ų51.332%0.31624%0.24SC..  trans-74.293.8176.1-174.30.4000111.6Q885 L886 K891 F892 L893Q885-D889 PolarHBondContact O-N 2.89Å; L886-D889 PolarHBondContact O-N 3.49Å; D889-K891 PolarHBondContact O-N 3.38Å; D889-K891 VanDerWaalsContact O-N 3.16Å; D889-K891 WeakPolarHBondContact OD1-CB 3.3Å; D889-K891 PolarHBondContact OD1-N 2.89Å; D889-F892 HydrophobicContact CB-CB 3.88Å; D889-F892 WeakPolarHBondContact O-CB 3.37Å; D889-F892 PolarHBondContact O-N 2.62Å; D889-F892 PolarHBondContact OD1-N 3.12Å; D889-F892 WeakPolarHBondContact OD2-CB 3.44Å; D889-L893 PolarHBondContact O-N 3.44Å
890K88Confident86.1Confident127 Ų12748.2 Ų48.255%0.55223%0.226SC*.Hα-helixtrans-56.1-32.4178.6-52.7-173.5-179.6154.20112.8E888 F894 F928E888-K890 PolarHBondContact O-N 3.24Å; K890-F894 WeakPolarHBondContact O-CB 3.31Å; K890-F894 PolarHBondContact O-N 2.84Å; K890-F894 VanDerWaalsContact O-N 3.08Å; K890-F928 HydrophobicContact CB-CE2 4.15Å; K890-F928 HydrophobicContact CB-CZ 3.97Å; K890-F928 HydrophobicContact CD-CE2 4.34Å; K890-F928 HydrophobicContact CG-CE2 3.82Å; K890-F928 HydrophobicContact CG-CZ 4.18Å
891K87.9Confident86.2Confident129 Ų12944.3 Ų44.356%0.56121%0.209SC*.Hα-helixtrans-73.1-46.7-179.2-176171.8-180166.70109.9D889 L893 F894 D895D889-K891 PolarHBondContact O-N 3.38Å; D889-K891 VanDerWaalsContact O-N 3.16Å; D889-K891 WeakPolarHBondContact OD1-CB 3.3Å; D889-K891 PolarHBondContact OD1-N 2.89Å; K891-L893 VanDerWaalsContact C-N 3.33Å; K891-L893 PolarHBondContact O-N 3.31Å; K891-F894 PolarHBondContact O-N 3.02Å; K891-D895 PolarHBondContact O-N 3.05Å
892F90Very high86.3Confident1 Ų148 Ų480%0.00422%0.224CC..Hα-helixtrans-55.9-46.1172.4173.3-107.1000112.1M861 A865 L886 D889 F894 D895 M896 F911M861-F892 HydrophobicContact CG-CE2 4.06Å; M861-F892 HydrophobicContact CG-CZ 4.29Å; M861-F892 HydrophobicContact SD-CE2 4.26Å; M861-F892 HydrophobicContact SD-CZ 3.89Å; A865-F892 HydrophobicContact CB-CD2 4.13Å; A865-F892 HydrophobicContact CB-CE2 4.01Å; L886-F892 HydrophobicContact CB-CD1 3.84Å; L886-F892 HydrophobicContact CB-CE1 3.72Å; L886-F892 HydrophobicContact CD1-CE1 4.22Å; L886-F892 HydrophobicContact CD1-CZ 4.27Å; L886-F892 HydrophobicContact CD2-CD1 3.97Å; L886-F892 HydrophobicContact CD2-CD2 4.38Å; L886-F892 HydrophobicContact CD2-CE1 4.05Å; L886-F892 HydrophobicContact CD2-CE2 4.43Å; L886-F892 HydrophobicContact CD2-CG 4.12Å; L886-F892 HydrophobicContact CD2-CZ 4.24Å; L886-F892 HydrophobicContact CG-CD1 4.43Å; L886-F892 HydrophobicContact CG-CE1 4.22Å; L886-F892 WeakPolarHBondContact O-CD1 3.29Å; D889-F892 HydrophobicContact CB-CB 3.88Å; D889-F892 WeakPolarHBondContact O-CB 3.37Å; D889-F892 PolarHBondContact O-N 2.62Å; D889-F892 PolarHBondContact OD1-N 3.12Å; D889-F892 WeakPolarHBondContact OD2-CB 3.44Å; F892-F894 VanDerWaalsContact C-N 3.32Å; F892-F894 PolarHBondContact O-N 2.96Å; F892-D895 PolarHBondContact O-N 3.44Å; F892-M896 HydrophobicContact CE1-CE 3.95Å; F892-M896 HydrophobicContact CE2-CE 3.67Å; F892-M896 HydrophobicContact CZ-CE 3.21Å; F892-M896 VanDerWaalsContact O-CB 3.26Å; F892-M896 WeakPolarHBondContact O-CB 3.35Å; F892-M896 PolarHBondContact O-N 2.73Å; F892-F911 HydrophobicContact CE1-CE2 4.15Å; F892-F911 HydrophobicContact CE1-CZ 4.14Å
893L91.1Very high86.4Confident0 Ų047.8 Ų47.80%022%0.218CC..Hα-helixtrans-64.7-34.2178.9-67.5-170.5000113.4V887 D889 K891 M897 L925 F928 Y929V887-L893 WeakPolarHBondContact O-CD1 3.2Å; D889-L893 PolarHBondContact O-N 3.44Å; K891-L893 VanDerWaalsContact C-N 3.33Å; K891-L893 PolarHBondContact O-N 3.31Å; L893-M897 PolarHBondContact O-N 3.39Å; L893-L925 HydrophobicContact CD1-CD2 3.81Å; L893-L925 HydrophobicContact CD2-CD2 3.45Å; L893-L925 VanDerWaalsContact CD2-CD2 3.45Å; L893-L925 HydrophobicContact CG-CD2 4.27Å; L893-F928 HydrophobicContact CB-CD1 4.04Å; L893-F928 HydrophobicContact CB-CE1 3.48Å; L893-F928 VanDerWaalsContact CB-CE1 3.48Å; L893-F928 HydrophobicContact CB-CZ 4.05Å; L893-F928 HydrophobicContact CD1-CB 4.4Å; L893-F928 HydrophobicContact CD1-CD1 3.4Å; L893-F928 HydrophobicContact CD1-CD2 4.1Å; L893-F928 HydrophobicContact CD1-CE1 3.57Å; L893-F928 HydrophobicContact CD1-CE2 4.25Å; L893-F928 HydrophobicContact CD1-CG 3.68Å; L893-F928 HydrophobicContact CD1-CZ 4Å; L893-F928 HydrophobicContact CG-CD1 4.39Å; L893-F928 HydrophobicContact CG-CE1 4.19Å; L893-Y929 HydrophobicContact CB-CE1 4.46Å; L893-Y929 WeakPolarHBondContact O-CE1 3.25Å; L893-Y929 PolarHBondContact O-OH 3.03Å
894F88.9Confident86.4Confident41 Ų4153.9 Ų53.918%0.1825%0.25CS..Hα-helixtrans-67.9-48.2173.1179-100.7000111.6K890 K891 F892 M896 M897 V898 F932 E936K890-F894 WeakPolarHBondContact O-CB 3.31Å; K890-F894 PolarHBondContact O-N 2.84Å; K890-F894 VanDerWaalsContact O-N 3.08Å; K891-F894 PolarHBondContact O-N 3.02Å; F892-F894 VanDerWaalsContact C-N 3.32Å; F892-F894 PolarHBondContact O-N 2.96Å; F894-M896 VanDerWaalsContact C-N 3.27Å; F894-M896 PolarHBondContact O-N 2.85Å; F894-M897 HydrophobicContact CD2-CE 3.57Å; F894-M897 HydrophobicContact CE2-CE 3.6Å; F894-M897 HydrophobicContact CG-CE 4.42Å; F894-M897 HydrophobicContact CZ-CE 4.46Å; F894-M897 WeakPolarHBondContact O-CB 3.45Å; F894-M897 PolarHBondContact O-N 3.49Å; F894-M897 VanDerWaalsContact O-N 3.09Å; F894-V898 HydrophobicContact CD1-CG2 4.3Å; F894-V898 HydrophobicContact CE1-CG2 4.02Å; F894-V898 HydrophobicContact CZ-CG2 4.23Å; F894-V898 WeakPolarHBondContact O-CG2 3.29Å; F894-V898 PolarHBondContact O-N 3.49Å; F894-F932 HydrophobicContact CD2-CD1 4.47Å; F894-F932 AromaticContact CD2-CE1 3.55Å; F894-F932 HydrophobicContact CD2-CE1 3.55Å; F894-F932 HydrophobicContact CD2-CZ 4.15Å; F894-F932 HydrophobicContact CE2-CE1 4.07Å; F894-F932 HydrophobicContact CG-CE1 4.48Å; F894-E936 VanDerWaalsContact CE2-OE2 3.31Å; F894-E936 WeakPolarHBondContact CE2-OE2 3.46Å
895D89.8Confident86.7Confident27 Ų2753.6 Ų53.614%0.14425%0.251CS..Hα-helixtrans-62.8-36.2178.1-68.2-22.1000110.9A865 K891 F892 V898 C899A865-D895 HydrophobicContact CB-CB 4.18Å; K891-D895 PolarHBondContact O-N 3.05Å; F892-D895 PolarHBondContact O-N 3.44Å; D895-V898 PolarHBondContact O-N 3.24Å; D895-C899 WeakPolarHBondContact O-CB 3.38Å; D895-C899 PolarHBondContact O-N 2.95Å; D895-C899 PolarHBondContact O-SG 2.69Å
896M89.5Confident86.9Confident0 Ų053.1 Ų53.10%025%0.25CS..Hα-helixtrans-64.5-38.3172.9-172.965.174.200112.3L873 L877 F892 F894 C899 G900 P907 L908L873-M896 HydrophobicContact CD1-CE 4.07Å; L873-M896 HydrophobicContact CD2-CE 4.14Å; L873-M896 HydrophobicContact CD2-SD 3.93Å; L873-M896 HydrophobicContact CG-CE 4.45Å; L877-M896 HydrophobicContact CD1-CE 4.32Å; L877-M896 HydrophobicContact CD2-CE 4.3Å; F892-M896 HydrophobicContact CE1-CE 3.95Å; F892-M896 HydrophobicContact CE2-CE 3.67Å; F892-M896 HydrophobicContact CZ-CE 3.21Å; F892-M896 VanDerWaalsContact O-CB 3.26Å; F892-M896 WeakPolarHBondContact O-CB 3.35Å; F892-M896 PolarHBondContact O-N 2.73Å; F894-M896 VanDerWaalsContact C-N 3.27Å; F894-M896 PolarHBondContact O-N 2.85Å; M896-C899 PolarHBondContact O-N 2.73Å; M896-G900 WeakPolarHBondContact O-CA 3.43Å; M896-G900 PolarHBondContact O-N 3.49Å; M896-P907 HydrophobicContact SD-CB 3.95Å; M896-P907 HydrophobicContact SD-CG 4.48Å; M896-L908 HydrophobicContact CG-CD1 3.78Å
897M88.6Confident87.1Confident2 Ų253 Ų531%0.0125%0.249CC..Hα-helixtrans-67.1-42.6174.2172.9-81.7-60.500111.2L893 F894 C899 G900 K901 Y929 L943 V946L893-M897 PolarHBondContact O-N 3.39Å; F894-M897 HydrophobicContact CD2-CE 3.57Å; F894-M897 HydrophobicContact CE2-CE 3.6Å; F894-M897 HydrophobicContact CG-CE 4.42Å; F894-M897 HydrophobicContact CZ-CE 4.46Å; F894-M897 WeakPolarHBondContact O-CB 3.45Å; F894-M897 PolarHBondContact O-N 3.49Å; F894-M897 VanDerWaalsContact O-N 3.09Å; M897-C899 VanDerWaalsContact C-N 3.33Å; M897-C899 PolarHBondContact O-N 3.48Å; M897-G900 PolarHBondContact O-N 3.14Å; M897-K901 PolarHBondContact O-N 2.88Å; M897-Y929 HydrophobicContact CB-CE1 3.76Å; M897-Y929 HydrophobicContact CG-CE1 4.37Å; M897-L943 HydrophobicContact CE-CD2 3.92Å; M897-L943 HydrophobicContact CE-CG 4.43Å; M897-L943 HydrophobicContact CG-CD2 4.18Å; M897-V946 HydrophobicContact CG-CG2 3.93Å
898V87.5Confident87.4Confident33 Ų3352.2 Ų52.220%0.225%0.245CC..Hα-helixtrans-63.4-40.8176.8176.80000111F894 D895 R939F894-V898 HydrophobicContact CD1-CG2 4.3Å; F894-V898 HydrophobicContact CE1-CG2 4.02Å; F894-V898 HydrophobicContact CZ-CG2 4.23Å; F894-V898 WeakPolarHBondContact O-CG2 3.29Å; F894-V898 PolarHBondContact O-N 3.49Å; D895-V898 PolarHBondContact O-N 3.24Å; V898-R939 VanDerWaalsContact CG2-NH1 3.26Å
899C86.5Confident87.7Confident3 Ų348.8 Ų48.82%0.0223%0.228CC..Hα-helixtrans-64.1-50.7171.7-71.50000111.6A865 L873 D895 M896 M897 K901 K902 Y903 P907A865-C899 PolarHBondContact O-SG 3.07Å; L873-C899 HydrophobicContact CD2-CB 4.45Å; D895-C899 WeakPolarHBondContact O-CB 3.38Å; D895-C899 PolarHBondContact O-N 2.95Å; D895-C899 PolarHBondContact O-SG 2.69Å; M896-C899 PolarHBondContact O-N 2.73Å; M897-C899 VanDerWaalsContact C-N 3.33Å; M897-C899 PolarHBondContact O-N 3.48Å; C899-K901 VanDerWaalsContact C-N 3.31Å; C899-K901 PolarHBondContact O-N 3.29Å; C899-K902 PolarHBondContact O-N 3.05Å; C899-K902 VanDerWaalsContact O-N 3.07Å; C899-Y903 WeakPolarHBondContact O-CD2 3.49Å; C899-Y903 PolarHBondContact O-N 2.94Å; C899-P907 HydrophobicContact CB-CG 4.48Å
900G82.9Confident87.8Confident0 Ų047 Ų470%022%0.218CC..Hα-helixtrans-55-45.4-17800000112.1M896 M897 K902 Y903 D904 N905M896-G900 WeakPolarHBondContact O-CA 3.43Å; M896-G900 PolarHBondContact O-N 3.49Å; M897-G900 PolarHBondContact O-N 3.14Å; G900-K902 PolarHBondContact O-N 3.38Å; G900-Y903 CarbonylContact O-C 3.51Å; G900-Y903 PolarHBondContact O-N 3.18Å; G900-D904 PolarHBondContact O-N 3.49Å; G900-N905 WeakPolarHBondContact O-CA 3.24Å; G900-N905 PolarHBondContact O-N 3.02Å; G900-N905 PolarHBondContact O-OD1 2.73Å
901K85Confident87.9Confident115 Ų11541 Ų4150%0.519%0.192SC..Hα-helixtrans-58.1-34.7178.9-172.1179.8179.2179.90113.3M897 C899 Y903 D942M897-K901 PolarHBondContact O-N 2.88Å; C899-K901 VanDerWaalsContact C-N 3.31Å; C899-K901 PolarHBondContact O-N 3.29Å; K901-Y903 VanDerWaalsContact C-N 3.3Å; K901-D942 HydrophobicContact CD-CB 4.44Å; K901-D942 WeakPolarHBondContact CE-OD1 3.39Å; K901-D942 IonicContact NZ-OD1 3.63Å; K901-D942 PolarHBondContact NZ-OD1 2.94Å; K901-D942 IonicContact NZ-OD2 3.8Å; K901-D942 PolarHBondContact NZ-OD2 2.91Å
902K84.6Confident88.1Confident118 Ų11834.8 Ų34.851%0.51317%0.165SC..Hα-helixtrans-74.8-20178.9-70.7178.1-178.4168.40113.2N868 C899 G900N868-K902 VanDerWaalsContact CG-NZ 3.3Å; N868-K902 PolarHBondContact ND2-NZ 3.18Å; N868-K902 PolarHBondContact OD1-NZ 2.86Å; N868-K902 VanDerWaalsContact OD1-NZ 3.11Å; C899-K902 PolarHBondContact O-N 3.05Å; C899-K902 VanDerWaalsContact O-N 3.07Å; G900-K902 PolarHBondContact O-N 3.38Å
903Y85.6Confident88.2Confident80 Ų8035.6 Ų35.631%0.31417%0.169SC..THydrogen-bonded Turntrans-133.844.2-170.6-53.1-66.6000112I870 C899 G900 K901 N905 I906I870-Y903 HydrophobicContact CB-CD2 4.44Å; I870-Y903 HydrophobicContact CB-CE2 4.46Å; I870-Y903 HydrophobicContact CD1-CD1 3.29Å; I870-Y903 HydrophobicContact CD1-CD2 3.73Å; I870-Y903 HydrophobicContact CD1-CE1 2.96Å; I870-Y903 HydrophobicContact CD1-CE2 3.49Å; I870-Y903 VanDerWaalsContact CD1-CE2 3.49Å; I870-Y903 HydrophobicContact CD1-CG 3.64Å; I870-Y903 WeakPolarHBondContact CD1-OH 3.28Å; I870-Y903 HydrophobicContact CG1-CD1 4.06Å; I870-Y903 HydrophobicContact CG1-CD2 3.5Å; I870-Y903 VanDerWaalsContact CG1-CD2 3.5Å; I870-Y903 HydrophobicContact CG1-CE1 3.75Å; I870-Y903 HydrophobicContact CG1-CE2 3.17Å; I870-Y903 HydrophobicContact CG1-CG 3.93Å; I870-Y903 HydrophobicContact CG2-CD2 4.18Å; I870-Y903 HydrophobicContact CG2-CG 4.26Å; C899-Y903 WeakPolarHBondContact O-CD2 3.49Å; C899-Y903 PolarHBondContact O-N 2.94Å; G900-Y903 CarbonylContact O-C 3.51Å; G900-Y903 PolarHBondContact O-N 3.18Å; K901-Y903 VanDerWaalsContact C-N 3.3Å; Y903-N905 PolarHBondContact O-N 3.43Å; Y903-I906 WeakPolarHBondContact O-CB 3.39Å; Y903-I906 WeakPolarHBondContact O-CD1 3.44Å; Y903-I906 WeakPolarHBondContact O-CG1 3.42Å; Y903-I906 PolarHBondContact O-N 3.06Å
904D84.1Confident88Confident131 Ų13138.3 Ų38.370%0.70118%0.184SC*.THydrogen-bonded Turntrans5133.6174.6-60.9-31.6000115.2G900 I906G900-D904 PolarHBondContact O-N 3.49Å; D904-I906 HydrophobicContact CB-CG1 4.48Å; D904-I906 PolarHBondContact O-N 2.84Å; D904-I906 VanDerWaalsContact O-N 3.11Å
905N87.4Confident88Confident26 Ų2636.7 Ų36.714%0.13918%0.177CC..THydrogen-bonded Turntrans57.319-177.2-57.2-51.6000114.2G900 Y903 L908 K909 L949G900-N905 WeakPolarHBondContact O-CA 3.24Å; G900-N905 PolarHBondContact O-N 3.02Å; G900-N905 PolarHBondContact O-OD1 2.73Å; Y903-N905 PolarHBondContact O-N 3.43Å; N905-L908 PolarHBondContact O-N 3.33Å; N905-K909 WeakPolarHBondContact O-CG 3.38Å; N905-K909 PolarHBondContact O-N 2.98Å; N905-L949 HydrophobicContact CB-CD1 3.96Å; N905-L949 HydrophobicContact CB-CD2 4.19Å
906I88.2Confident87.8Confident65 Ų6537.9 Ų37.933%0.33319%0.187SC..Hα-helixtrans-55.5-49176.2-62.7165.5000112.5Y903 D904 L908 K909 D910Y903-I906 WeakPolarHBondContact O-CB 3.39Å; Y903-I906 WeakPolarHBondContact O-CD1 3.44Å; Y903-I906 WeakPolarHBondContact O-CG1 3.42Å; Y903-I906 PolarHBondContact O-N 3.06Å; D904-I906 HydrophobicContact CB-CG1 4.48Å; D904-I906 PolarHBondContact O-N 2.84Å; D904-I906 VanDerWaalsContact O-N 3.11Å; I906-L908 VanDerWaalsContact C-N 3.25Å; I906-L908 PolarHBondContact O-N 2.82Å; I906-K909 WeakPolarHBondContact O-CB 3.48Å; I906-K909 PolarHBondContact O-N 2.67Å; I906-K909 VanDerWaalsContact O-N 3.15Å; I906-D910 PolarHBondContact O-N 3.1Å
907P88.5Confident87.7Confident0 Ų037.9 Ų37.90%019%0.187CC..Hα-helixtrans-64.4-32.2-179.325-34.6000112.3L873 L877 M896 C899 D910 F911L873-P907 HydrophobicContact CD2-CB 4Å; L877-P907 HydrophobicContact CD1-CB 4.27Å; L877-P907 WeakPolarHBondContact CD1-O 3.33Å; M896-P907 HydrophobicContact SD-CB 3.95Å; M896-P907 HydrophobicContact SD-CG 4.48Å; C899-P907 HydrophobicContact CB-CG 4.48Å; P907-D910 PolarHBondContact O-N 2.85Å; P907-F911 WeakPolarHBondContact O-CB 3.26Å; P907-F911 PolarHBondContact O-N 3.48Å
908L91.1Very high87.8Confident0 Ų037.8 Ų37.80%019%0.186CC..Hα-helixtrans-70.4-39.5175.3-169.671.9000111.6M896 N905 I906 F911 I912 L925 Y929 V946 L949M896-L908 HydrophobicContact CG-CD1 3.78Å; N905-L908 PolarHBondContact O-N 3.33Å; I906-L908 VanDerWaalsContact C-N 3.25Å; I906-L908 PolarHBondContact O-N 2.82Å; L908-F911 PolarHBondContact O-N 3.41Å; L908-I912 HydrophobicContact CG-CD1 4.46Å; L908-I912 WeakPolarHBondContact O-CG1 3.33Å; L908-I912 PolarHBondContact O-N 3.42Å; L908-L925 HydrophobicContact CD1-CD1 4.25Å; L908-Y929 HydrophobicContact CD1-CE2 4.11Å; L908-Y929 HydrophobicContact CD2-CE2 4.17Å; L908-V946 HydrophobicContact CD2-CG1 3.3Å; L908-L949 HydrophobicContact CD2-CD2 4.29Å
909K90.1Very high88Confident67 Ų6736.2 Ų36.229%0.29118%0.177SC..Hα-helixtrans-61.5-46.6171.6-70.6179.3-176.9-179.30111.1N905 I906 F911 I912 L913 I953N905-K909 WeakPolarHBondContact O-CG 3.38Å; N905-K909 PolarHBondContact O-N 2.98Å; I906-K909 WeakPolarHBondContact O-CB 3.48Å; I906-K909 PolarHBondContact O-N 2.67Å; I906-K909 VanDerWaalsContact O-N 3.15Å; K909-F911 VanDerWaalsContact C-N 3.31Å; K909-F911 PolarHBondContact O-N 3.29Å; K909-I912 PolarHBondContact O-N 3.37Å; K909-L913 WeakPolarHBondContact O-CB 3.48Å; K909-L913 VanDerWaalsContact O-CG 3.24Å; K909-L913 WeakPolarHBondContact O-CG 3.36Å; K909-L913 PolarHBondContact O-N 3.47Å; K909-I953 HydrophobicContact CG-CD1 3.86Å
910D88.2Confident88.1Confident22 Ų2236.1 Ų36.112%0.11818%0.176CC..Hα-helixtrans-61.7-38.7177.8-77.5-15.8000111.2R874 L877 I906 P907 N914R874-D910 IonicContact CZ-OD2 3.33Å; R874-D910 IonicContact NE-OD2 2.79Å; R874-D910 PolarHBondContact NE-OD2 2.86Å; R874-D910 IonicContact NH2-OD2 2.91Å; L877-D910 HydrophobicContact CD1-CB 4.39Å; I906-D910 PolarHBondContact O-N 3.1Å; P907-D910 PolarHBondContact O-N 2.85Å; D910-N914 WeakPolarHBondContact O-CB 3.35Å; D910-N914 VanDerWaalsContact O-CG 3.32Å; D910-N914 PolarHBondContact O-N 3.41Å; D910-N914 PolarHBondContact O-ND2 3.08Å
911F91.1Very high88.5Confident0 Ų036.1 Ų36.10%018%0.176CC..Hα-helixtrans-62.4-45.3174.3-179.7-115.6000112.8L877 H881 T883 L886 V887 F892 P907 L908 K909 S915 L925L877-F911 HydrophobicContact CD1-CB 4.48Å; L877-F911 HydrophobicContact CD2-CB 3.79Å; L877-F911 HydrophobicContact CD2-CD2 3.5Å; L877-F911 VanDerWaalsContact CD2-CD2 3.5Å; L877-F911 HydrophobicContact CD2-CG 4.09Å; H881-F911 AromaticContact NE2-CD2 3.77Å; H881-F911 AromaticContact NE2-CE2 3.8Å; T883-F911 HydrophobicContact CG2-CE2 4.23Å; L886-F911 HydrophobicContact CB-CE2 4.28Å; L886-F911 HydrophobicContact CB-CZ 4.11Å; L886-F911 HydrophobicContact CD1-CE2 4.1Å; V887-F911 HydrophobicContact CG2-CE1 3.97Å; V887-F911 HydrophobicContact CG2-CZ 3.97Å; F892-F911 HydrophobicContact CE1-CE2 4.15Å; F892-F911 HydrophobicContact CE1-CZ 4.14Å; P907-F911 WeakPolarHBondContact O-CB 3.26Å; P907-F911 PolarHBondContact O-N 3.48Å; L908-F911 PolarHBondContact O-N 3.41Å; K909-F911 VanDerWaalsContact C-N 3.31Å; K909-F911 PolarHBondContact O-N 3.29Å; F911-S915 PolarHBondContact O-N 3.4Å; F911-L925 HydrophobicContact CD1-CD1 3.89Å; F911-L925 HydrophobicContact CE1-CD1 3.97Å; F911-L925 HydrophobicContact CE1-CD2 4.36Å
912I92.3Very high89Confident0 Ų030.6 Ų30.60%015%0.152CC..Hα-helixtrans-65-47.2177.7-68.1167000110.6L908 K909 N914 S915 P918 A922 L925 I953 L957L908-I912 HydrophobicContact CG-CD1 4.46Å; L908-I912 WeakPolarHBondContact O-CG1 3.33Å; L908-I912 PolarHBondContact O-N 3.42Å; K909-I912 PolarHBondContact O-N 3.37Å; I912-N914 PolarHBondContact O-N 3.11Å; I912-S915 WeakPolarHBondContact O-CB 3.02Å; I912-S915 PolarHBondContact O-N 3.07Å; I912-S915 PolarHBondContact O-OG 3.48Å; I912-P918 HydrophobicContact CG2-CB 4.27Å; I912-P918 WeakPolarHBondContact CG2-O 3.1Å; I912-P918 WeakPolarHBondContact O-CB 3.28Å; I912-A922 HydrophobicContact CD1-CB 4.31Å; I912-A922 HydrophobicContact CG2-CB 3.94Å; I912-L925 HydrophobicContact CD1-CD1 4.03Å; I912-L925 HydrophobicContact CG1-CD1 3.65Å; I912-I953 HydrophobicContact CD1-CD1 4.07Å; I912-I953 HydrophobicContact CG2-CG2 3.93Å; I912-L957 HydrophobicContact CG2-CD1 4.47Å
913L90.2Very high89.3Confident17 Ų1725 Ų259%0.08913%0.128CC..Hα-helixtrans-71.5-26.2-173.8-65.8175.2000113.8K909 L957 T1396 Y1399K909-L913 WeakPolarHBondContact O-CB 3.48Å; K909-L913 VanDerWaalsContact O-CG 3.24Å; K909-L913 WeakPolarHBondContact O-CG 3.36Å; K909-L913 PolarHBondContact O-N 3.47Å; L913-L957 HydrophobicContact CD2-CD1 4.43Å; L913-L957 HydrophobicContact CD2-CD2 4.28Å; L913-T1396 HydrophobicContact CD2-CG2 3.92Å; L913-Y1399 HydrophobicContact CD1-CD1 4.23Å; L913-Y1399 HydrophobicContact CD1-CE1 4.23Å; L913-Y1399 HydrophobicContact CD2-CD1 3.61Å; L913-Y1399 HydrophobicContact CD2-CE1 3.9Å
914N88Confident89.6Confident58 Ų5822.4 Ų22.431%0.3112%0.119SC..THydrogen-bonded Turntrans-90.6-2.7176.7-65.9-21.6000113.2L877 D910 I912L877-N914 WeakPolarHBondContact O-CB 3.43Å; L877-N914 PolarHBondContact O-ND2 2.88Å; D910-N914 WeakPolarHBondContact O-CB 3.35Å; D910-N914 VanDerWaalsContact O-CG 3.32Å; D910-N914 PolarHBondContact O-N 3.41Å; D910-N914 PolarHBondContact O-ND2 3.08Å; I912-N914 PolarHBondContact O-N 3.11Å
915S88.2Confident90Very high6 Ų616.2 Ų16.24%0.0429%0.085CC..SBendtrans-73.2153.4176.275.10000112.6F911 I912 A917 P918 T921F911-S915 PolarHBondContact O-N 3.4Å; I912-S915 WeakPolarHBondContact O-CB 3.02Å; I912-S915 PolarHBondContact O-N 3.07Å; I912-S915 PolarHBondContact O-OG 3.48Å; S915-A917 VanDerWaalsContact C-N 3.3Å; S915-A917 PolarHBondContact O-N 3.38Å; S915-P918 WeakPolarHBondContact OG-CA 3.02Å; S915-T921 WeakPolarHBondContact OG-CG2 3.29Å; S915-T921 PolarHBondContact OG-OG1 2.71Å
916P86.1Confident90.3Very high52 Ų5215 Ų1534%0.3388%0.079SC..SBendtrans-63-34.5-177.724.5-33.7000113T883 Y884 D1387T883-P916 WeakPolarHBondContact OG1-CD 3.33Å; Y884-P916 HydrophobicContact CE2-CG 3.71Å; P916-D1387 HydrophobicContact CB-CB 4.48Å
917A86.8Confident90.4Very high0 Ų013.4 Ų13.40%07%0.074CC..SBendtrans-128.789.1172.500000110.9S915 V919 D920 T921 I1386 D1387S915-A917 VanDerWaalsContact C-N 3.3Å; S915-A917 PolarHBondContact O-N 3.38Å; A917-V919 VanDerWaalsContact C-N 3.3Å; A917-V919 PolarHBondContact O-N 2.8Å; A917-D920 HydrophobicContact CB-CB 4.13Å; A917-D920 PolarHBondContact O-N 3.03Å; A917-T921 PolarHBondContact O-N 2.97Å; A917-T921 PolarHBondContact O-OG1 3.35Å; A917-I1386 HydrophobicContact CB-CG2 3.66Å; A917-D1387 WeakPolarHBondContact CB-OD1 3.41Å
918P91.7Very high90.6Very high1 Ų115.2 Ų15.21%0.0068%0.081CC..Hα-helixtrans-58.3-34.8-175.2-2836.4000114.8I912 S915 T921 A922 L957 W1392 T1396I912-P918 HydrophobicContact CG2-CB 4.27Å; I912-P918 WeakPolarHBondContact CG2-O 3.1Å; I912-P918 WeakPolarHBondContact O-CB 3.28Å; S915-P918 WeakPolarHBondContact OG-CA 3.02Å; P918-T921 WeakPolarHBondContact CA-OG1 3.45Å; P918-T921 PolarHBondContact O-OG1 3.16Å; P918-T921 VanDerWaalsContact O-OG1 3.08Å; P918-A922 WeakPolarHBondContact O-CB 3.22Å; P918-A922 PolarHBondContact O-N 3Å; P918-L957 HydrophobicContact CB-CD1 3.68Å; P918-W1392 HydrophobicContact CG-CB 4.31Å; P918-T1396 HydrophobicContact CB-CG2 4.39Å; P918-T1396 HydrophobicContact CG-CG2 3.76Å
919V90.7Very high90.7Very high0 Ų015.2 Ų15.20%08%0.081CC..Hα-helixtrans-72.2-40.7-179.2-168.80000110.6A917 V923 A954 L957 L958 F981 W1392A917-V919 VanDerWaalsContact C-N 3.3Å; A917-V919 PolarHBondContact O-N 2.8Å; V919-V923 WeakPolarHBondContact O-CB 3.36Å; V919-V923 VanDerWaalsContact O-CG2 3.23Å; V919-V923 WeakPolarHBondContact O-CG2 3.46Å; V919-V923 PolarHBondContact O-N 3.43Å; V919-V923 VanDerWaalsContact O-N 3.08Å; V919-A954 HydrophobicContact CG1-CB 4.39Å; V919-L957 HydrophobicContact CG2-CB 3.68Å; V919-L957 HydrophobicContact CG2-CD1 4.5Å; V919-L958 HydrophobicContact CG1-CB 4.3Å; V919-F981 HydrophobicContact CB-CZ 4.22Å; V919-F981 HydrophobicContact CG1-CE1 3.89Å; V919-F981 HydrophobicContact CG1-CZ 3.62Å; V919-W1392 HydrophobicContact CB-CH2 4.24Å; V919-W1392 HydrophobicContact CB-CZ3 4.46Å; V919-W1392 HydrophobicContact CG2-CE3 4.36Å; V919-W1392 HydrophobicContact CG2-CH2 3.55Å; V919-W1392 HydrophobicContact CG2-CZ3 3.39Å
920D90.1Very high90.8Very high0 Ų016.2 Ų16.20%08%0.083CC..Hα-helixtrans-68.9-43178.2-172.632000111.2A917 A922 V923 Q924 F981 I1386A917-D920 HydrophobicContact CB-CB 4.13Å; A917-D920 PolarHBondContact O-N 3.03Å; D920-A922 PolarHBondContact O-N 3.46Å; D920-V923 PolarHBondContact O-N 2.98Å; D920-Q924 VanDerWaalsContact O-CG 3.32Å; D920-Q924 WeakPolarHBondContact O-CG 3.2Å; D920-Q924 PolarHBondContact O-N 3.36Å; D920-Q924 PolarHBondContact OD1-NE2 3.2Å; D920-Q924 PolarHBondContact OD2-NE2 2.94Å; D920-F981 HydrophobicContact CB-CD2 4.47Å; D920-F981 HydrophobicContact CB-CE2 3.91Å; D920-I1386 HydrophobicContact CB-CG2 4.43Å
921T91.7Very high90.9Very high0 Ų017.8 Ų17.80%010%0.096CC..Hα-helixtrans-64.2-41175.958.20000112.3S915 A917 P918 V923 Q924 L925S915-T921 WeakPolarHBondContact OG-CG2 3.29Å; S915-T921 PolarHBondContact OG-OG1 2.71Å; A917-T921 PolarHBondContact O-N 2.97Å; A917-T921 PolarHBondContact O-OG1 3.35Å; P918-T921 WeakPolarHBondContact CA-OG1 3.45Å; P918-T921 PolarHBondContact O-OG1 3.16Å; P918-T921 VanDerWaalsContact O-OG1 3.08Å; T921-V923 VanDerWaalsContact C-N 3.34Å; T921-V923 PolarHBondContact O-N 2.9Å; T921-Q924 PolarHBondContact O-N 3.38Å; T921-L925 WeakPolarHBondContact O-CB 3.5Å; T921-L925 WeakPolarHBondContact O-CG 3.44Å; T921-L925 PolarHBondContact O-N 3.05Å
922A93.7Very high90.9Very high0 Ų019.8 Ų19.80%011%0.105CC..Hα-helixtrans-60.6-42.1174.700000112.4I912 P918 D920 S926 C950 I953 A954I912-A922 HydrophobicContact CD1-CB 4.31Å; I912-A922 HydrophobicContact CG2-CB 3.94Å; P918-A922 WeakPolarHBondContact O-CB 3.22Å; P918-A922 PolarHBondContact O-N 3Å; D920-A922 PolarHBondContact O-N 3.46Å; A922-S926 WeakPolarHBondContact O-CB 3.23Å; A922-S926 PolarHBondContact O-N 2.93Å; A922-C950 WeakPolarHBondContact O-CB 3.11Å; A922-I953 HydrophobicContact CB-CG2 4.44Å; A922-A954 HydrophobicContact CB-CB 3.86Å
923V92.3Very high90.9Very high0 Ų019.8 Ų19.80%011%0.105CC..Hα-helixtrans-64.3-47176.41630000111.7V919 D920 T921 L925 S926 S927 A954 F981 L985 H988 Q990V919-V923 WeakPolarHBondContact O-CB 3.36Å; V919-V923 VanDerWaalsContact O-CG2 3.23Å; V919-V923 WeakPolarHBondContact O-CG2 3.46Å; V919-V923 PolarHBondContact O-N 3.43Å; V919-V923 VanDerWaalsContact O-N 3.08Å; D920-V923 PolarHBondContact O-N 2.98Å; T921-V923 VanDerWaalsContact C-N 3.34Å; T921-V923 PolarHBondContact O-N 2.9Å; V923-L925 PolarHBondContact O-N 3.37Å; V923-S926 PolarHBondContact O-N 2.95Å; V923-S927 PolarHBondContact O-N 3.14Å; V923-A954 HydrophobicContact CG2-CB 3.97Å; V923-F981 HydrophobicContact CG2-CZ 4.18Å; V923-L985 HydrophobicContact CB-CD2 4.4Å; V923-L985 HydrophobicContact CG1-CD2 4.12Å; V923-L985 HydrophobicContact CG2-CD2 3.44Å; V923-L985 VanDerWaalsContact CG2-CD2 3.44Å; V923-H988 HydrophobicContact CG1-CB 3.95Å; V923-Q990 HydrophobicContact CB-CG 4.44Å; V923-Q990 HydrophobicContact CG1-CG 3.76Å; V923-Q990 HydrophobicContact CG2-CG 4.27Å
924Q91Very high90.8Very high26 Ų2625.1 Ų25.112%0.12113%0.134CC..Hα-helixtrans-63.5-42.7179.1-70.7176.823.800111.4V887 D920 T921 S927 F928V887-Q924 HydrophobicContact CG1-CB 4.21Å; D920-Q924 VanDerWaalsContact O-CG 3.32Å; D920-Q924 WeakPolarHBondContact O-CG 3.2Å; D920-Q924 PolarHBondContact O-N 3.36Å; D920-Q924 PolarHBondContact OD1-NE2 3.2Å; D920-Q924 PolarHBondContact OD2-NE2 2.94Å; T921-Q924 PolarHBondContact O-N 3.38Å; Q924-S927 PolarHBondContact O-N 2.98Å; Q924-F928 WeakPolarHBondContact O-CB 3.45Å; Q924-F928 PolarHBondContact O-N 3.28Å
925L92.2Very high90.9Very high0 Ų029.4 Ų29.40%015%0.15CC..Hα-helixtrans-65.4-43.1176.3-71.2173.4000112.1V887 L893 L908 F911 I912 T921 V923 S927 F928 Y929V887-L925 HydrophobicContact CG2-CD2 4.36Å; L893-L925 HydrophobicContact CD1-CD2 3.81Å; L893-L925 HydrophobicContact CD2-CD2 3.45Å; L893-L925 VanDerWaalsContact CD2-CD2 3.45Å; L893-L925 HydrophobicContact CG-CD2 4.27Å; L908-L925 HydrophobicContact CD1-CD1 4.25Å; F911-L925 HydrophobicContact CD1-CD1 3.89Å; F911-L925 HydrophobicContact CE1-CD1 3.97Å; F911-L925 HydrophobicContact CE1-CD2 4.36Å; I912-L925 HydrophobicContact CD1-CD1 4.03Å; I912-L925 HydrophobicContact CG1-CD1 3.65Å; T921-L925 WeakPolarHBondContact O-CB 3.5Å; T921-L925 WeakPolarHBondContact O-CG 3.44Å; T921-L925 PolarHBondContact O-N 3.05Å; V923-L925 PolarHBondContact O-N 3.37Å; L925-S927 VanDerWaalsContact C-N 3.35Å; L925-S927 PolarHBondContact O-N 2.91Å; L925-F928 PolarHBondContact O-N 3.33Å; L925-Y929 HydrophobicContact CB-CD2 4.29Å; L925-Y929 HydrophobicContact CB-CE2 4.17Å; L925-Y929 HydrophobicContact CD2-CE2 4.21Å; L925-Y929 WeakPolarHBondContact O-CD2 3.35Å; L925-Y929 PolarHBondContact O-N 3.42Å
926S93.6Very high90.8Very high0 Ų031.4 Ų31.40%016%0.158CC..Hα-helixtrans-57.1-49.7174.3171.90000111A922 V923 F928 Y929 R930 A947 Q990A922-S926 WeakPolarHBondContact O-CB 3.23Å; A922-S926 PolarHBondContact O-N 2.93Å; V923-S926 PolarHBondContact O-N 2.95Å; S926-F928 VanDerWaalsContact C-N 3.32Å; S926-F928 PolarHBondContact O-N 2.91Å; S926-Y929 PolarHBondContact O-N 3.26Å; S926-R930 WeakPolarHBondContact O-CB 3.44Å; S926-R930 PolarHBondContact O-N 3.2Å; S926-A947 PolarHBondContact OG-O 3.29Å; S926-Q990 PolarHBondContact OG-NE2 3.45Å; S926-Q990 PolarHBondContact OG-OE1 3.41Å
927S91.6Very high90.8Very high33 Ų3337.6 Ų37.623%0.23118%0.18CC..Hα-helixtrans-60.4-41.5177-176.20000112.2V923 Q924 L925 S931 H988V923-S927 PolarHBondContact O-N 3.14Å; Q924-S927 PolarHBondContact O-N 2.98Å; L925-S927 VanDerWaalsContact C-N 3.35Å; L925-S927 PolarHBondContact O-N 2.91Å; S927-S931 WeakPolarHBondContact O-CB 3.47Å; S927-S931 PolarHBondContact O-N 2.99Å; S927-H988 VanDerWaalsContact CB-ND1 3.29Å; S927-H988 WeakPolarHBondContact CB-ND1 3.44Å; S927-H988 PolarHBondContact OG-ND1 3.4Å
928F91.9Very high90.7Very high37 Ų3746.4 Ų46.416%0.16222%0.221CC..Hα-helixtrans-63-54.1178.3174-97.1000111K890 L893 Q924 L925 S926 R930 S931 F932K890-F928 HydrophobicContact CB-CE2 4.15Å; K890-F928 HydrophobicContact CB-CZ 3.97Å; K890-F928 HydrophobicContact CD-CE2 4.34Å; K890-F928 HydrophobicContact CG-CE2 3.82Å; K890-F928 HydrophobicContact CG-CZ 4.18Å; L893-F928 HydrophobicContact CB-CD1 4.04Å; L893-F928 HydrophobicContact CB-CE1 3.48Å; L893-F928 VanDerWaalsContact CB-CE1 3.48Å; L893-F928 HydrophobicContact CB-CZ 4.05Å; L893-F928 HydrophobicContact CD1-CB 4.4Å; L893-F928 HydrophobicContact CD1-CD1 3.4Å; L893-F928 HydrophobicContact CD1-CD2 4.1Å; L893-F928 HydrophobicContact CD1-CE1 3.57Å; L893-F928 HydrophobicContact CD1-CE2 4.25Å; L893-F928 HydrophobicContact CD1-CG 3.68Å; L893-F928 HydrophobicContact CD1-CZ 4Å; L893-F928 HydrophobicContact CG-CD1 4.39Å; L893-F928 HydrophobicContact CG-CE1 4.19Å; Q924-F928 WeakPolarHBondContact O-CB 3.45Å; Q924-F928 PolarHBondContact O-N 3.28Å; L925-F928 PolarHBondContact O-N 3.33Å; S926-F928 VanDerWaalsContact C-N 3.32Å; S926-F928 PolarHBondContact O-N 2.91Å; F928-R930 VanDerWaalsContact C-N 3.31Å; F928-R930 PolarHBondContact O-N 3.25Å; F928-S931 CarbonylContact O-C 3.54Å; F928-S931 PolarHBondContact O-N 3.29Å; F928-S931 VanDerWaalsContact O-N 3.15Å; F928-F932 HydrophobicContact CE1-CB 4.41Å; F928-F932 HydrophobicContact CE1-CG 4.44Å; F928-F932 HydrophobicContact CE2-CD2 4.47Å; F928-F932 AromaticContact CZ-CD2 3.99Å; F928-F932 HydrophobicContact CZ-CD2 3.99Å; F928-F932 HydrophobicContact CZ-CG 4.33Å; F928-F932 WeakPolarHBondContact O-CB 3.17Å; F928-F932 PolarHBondContact O-N 2.94Å
929Y93.3Very high90.4Very high0 Ų050.7 Ų50.70%024%0.237CC..Hα-helixtrans-63.9-36.2-177.8-71.8-55.5000112.2L893 M897 L908 L925 S926 F932 A933 L943 V946L893-Y929 HydrophobicContact CB-CE1 4.46Å; L893-Y929 WeakPolarHBondContact O-CE1 3.25Å; L893-Y929 PolarHBondContact O-OH 3.03Å; M897-Y929 HydrophobicContact CB-CE1 3.76Å; M897-Y929 HydrophobicContact CG-CE1 4.37Å; L908-Y929 HydrophobicContact CD1-CE2 4.11Å; L908-Y929 HydrophobicContact CD2-CE2 4.17Å; L925-Y929 HydrophobicContact CB-CD2 4.29Å; L925-Y929 HydrophobicContact CB-CE2 4.17Å; L925-Y929 HydrophobicContact CD2-CE2 4.21Å; L925-Y929 WeakPolarHBondContact O-CD2 3.35Å; L925-Y929 PolarHBondContact O-N 3.42Å; S926-Y929 PolarHBondContact O-N 3.26Å; Y929-F932 PolarHBondContact O-N 3.02Å; Y929-A933 WeakPolarHBondContact O-CB 3.39Å; Y929-A933 PolarHBondContact O-N 2.92Å; Y929-L943 HydrophobicContact CD1-CD2 3.74Å; Y929-L943 HydrophobicContact CE1-CD2 4.42Å; Y929-V946 HydrophobicContact CD1-CG1 4.48Å; Y929-V946 HydrophobicContact CD2-CB 4.49Å; Y929-V946 HydrophobicContact CD2-CG1 3.55Å; Y929-V946 HydrophobicContact CE2-CG1 3.59Å; Y929-V946 HydrophobicContact CG-CG1 4.03Å
930R93.1Very high90.5Very high88 Ų8852.6 Ų52.633%0.33225%0.249SC..Hα-helixtrans-67.2-40.8174.1-149.7170.8-145.2156.912112S926 F928 F932 N934 A947 E951S926-R930 WeakPolarHBondContact O-CB 3.44Å; S926-R930 PolarHBondContact O-N 3.2Å; F928-R930 VanDerWaalsContact C-N 3.31Å; F928-R930 PolarHBondContact O-N 3.25Å; R930-F932 VanDerWaalsContact C-N 3.3Å; R930-F932 PolarHBondContact O-N 3.06Å; R930-N934 PolarHBondContact O-N 3.39Å; R930-A947 HydrophobicContact CB-CB 4.21Å; R930-E951 IonicContact CZ-OE2 2.68Å; R930-E951 IonicContact NH1-OE2 2.74Å; R930-E951 PolarHBondContact NH1-OE2 3.47Å; R930-E951 IonicContact NH2-OE2 2.71Å
931S90.7Very high90.5Very high56 Ų5661.4 Ų61.439%0.39229%0.287SS..Hα-helixtrans-65.9-34172.2178.80000112.2S927 F928S927-S931 WeakPolarHBondContact O-CB 3.47Å; S927-S931 PolarHBondContact O-N 2.99Å; F928-S931 CarbonylContact O-C 3.54Å; F928-S931 PolarHBondContact O-N 3.29Å; F928-S931 VanDerWaalsContact O-N 3.15Å
932F90.1Very high90.4Very high41 Ų4163.4 Ų63.418%0.1830%0.298CS..Hα-helixtrans-75.1-37.8-179.3-156.4-104.9000111.2F894 F928 Y929 R930 N934 K935 E936 L943F894-F932 HydrophobicContact CD2-CD1 4.47Å; F894-F932 AromaticContact CD2-CE1 3.55Å; F894-F932 HydrophobicContact CD2-CE1 3.55Å; F894-F932 HydrophobicContact CD2-CZ 4.15Å; F894-F932 HydrophobicContact CE2-CE1 4.07Å; F894-F932 HydrophobicContact CG-CE1 4.48Å; F928-F932 HydrophobicContact CE1-CB 4.41Å; F928-F932 HydrophobicContact CE1-CG 4.44Å; F928-F932 HydrophobicContact CE2-CD2 4.47Å; F928-F932 AromaticContact CZ-CD2 3.99Å; F928-F932 HydrophobicContact CZ-CD2 3.99Å; F928-F932 HydrophobicContact CZ-CG 4.33Å; F928-F932 WeakPolarHBondContact O-CB 3.17Å; F928-F932 PolarHBondContact O-N 2.94Å; Y929-F932 PolarHBondContact O-N 3.02Å; R930-F932 VanDerWaalsContact C-N 3.3Å; R930-F932 PolarHBondContact O-N 3.06Å; F932-N934 PolarHBondContact O-N 3.14Å; F932-K935 PolarHBondContact O-N 2.86Å; F932-E936 HydrophobicContact CD1-CB 4.46Å; F932-E936 HydrophobicContact CE1-CB 4.28Å; F932-E936 WeakPolarHBondContact CE1-OE2 3.32Å; F932-E936 PolarHBondContact O-N 2.98Å; F932-L943 HydrophobicContact CB-CD2 4.44Å; F932-L943 HydrophobicContact CD1-CD1 3.64Å; F932-L943 HydrophobicContact CD1-CD2 3.72Å; F932-L943 HydrophobicContact CD1-CG 4.35Å; F932-L943 HydrophobicContact CE1-CD1 4.37Å
933A91.9Very high90.3Very high1 Ų163.4 Ų63.41%0.00830%0.298CS..Hα-helixtrans-56.3-36.2173.700000112.5Y929 K935 T940 L943 N944Y929-A933 WeakPolarHBondContact O-CB 3.39Å; Y929-A933 PolarHBondContact O-N 2.92Å; A933-K935 VanDerWaalsContact C-N 3.34Å; A933-T940 HydrophobicContact CB-CG2 4.12Å; A933-T940 PolarHBondContact O-OG1 3.47Å; A933-T940 VanDerWaalsContact O-OG1 3.06Å; A933-L943 HydrophobicContact CB-CB 3.59Å; A933-L943 HydrophobicContact CB-CD1 4.34Å; A933-N944 VanDerWaalsContact CB-OD1 3.3Å; A933-N944 WeakPolarHBondContact CB-OD1 3.36Å
934N89Confident90.4Very high128 Ų12865.8 Ų65.868%0.68431%0.31SS*.Hα-helixtrans-71.7-27.4176.2-71.2-19.9000113.1R930 F932R930-N934 PolarHBondContact O-N 3.39Å; F932-N934 PolarHBondContact O-N 3.14Å
935K89.5Confident90.4Very high149 Ų14967.2 Ų67.265%0.64832%0.324SS*.Hα-helixtrans-85.4-43.2178.9-68.7177.9-178.6176.10111.5F932 A933F932-K935 PolarHBondContact O-N 2.86Å; A933-K935 VanDerWaalsContact C-N 3.34Å
936E85.4Confident90.4Very high48 Ų4867.4 Ų67.422%0.22432%0.324CS..  trans-100.9101.2-176.4-162.1-179.5-156.200110.7F894 F932 T940 L943F894-E936 VanDerWaalsContact CE2-OE2 3.31Å; F894-E936 WeakPolarHBondContact CE2-OE2 3.46Å; F932-E936 HydrophobicContact CD1-CB 4.46Å; F932-E936 HydrophobicContact CE1-CB 4.28Å; F932-E936 WeakPolarHBondContact CE1-OE2 3.32Å; F932-E936 PolarHBondContact O-N 2.98Å; E936-T940 PolarHBondContact O-N 3.02Å; E936-T940 PolarHBondContact O-OG1 3.13Å; E936-L943 HydrophobicContact CB-CD1 4.15Å
937K85.9Confident90.4Very high182 Ų18267.4 Ų67.479%0.79132%0.324SS*.SBendtrans-72.7-27.6-174.1-68.9-171.4177.9-178.20114.3T940K937-T940 VanDerWaalsContact CA-OG1 3.28Å; K937-T940 WeakPolarHBondContact CA-OG1 3.35Å; K937-T940 PolarHBondContact O-OG1 3.44Å
938E85.2Confident90.5Very high184 Ų18470.7 Ų70.786%0.8634%0.336SS*.SBendtrans-72.6-35.1-174.7-65.1-172.4170.700112.4
939R86.1Confident90.5Very high92 Ų9270.6 Ų70.635%0.34734%0.337SS..SBendtrans-111.716.1-175.6-60.6-177.9-174.2-168.43.3113.2V898 K941 D942 L943V898-R939 VanDerWaalsContact CG2-NH1 3.26Å; R939-K941 PolarHBondContact O-N 2.89Å; R939-K941 VanDerWaalsContact O-N 3.13Å; R939-D942 PolarHBondContact O-N 2.85Å; R939-L943 HydrophobicContact CB-CD1 4.25Å; R939-L943 PolarHBondContact O-N 3.05Å
940T91.4Very high90.6Very high39 Ų3970.6 Ų70.624%0.23934%0.337CS..Hα-helixtrans-52.4-39.1-177.3-550000112.9A933 E936 K937 N944A933-T940 HydrophobicContact CB-CG2 4.12Å; A933-T940 PolarHBondContact O-OG1 3.47Å; A933-T940 VanDerWaalsContact O-OG1 3.06Å; E936-T940 PolarHBondContact O-N 3.02Å; E936-T940 PolarHBondContact O-OG1 3.13Å; K937-T940 VanDerWaalsContact CA-OG1 3.28Å; K937-T940 WeakPolarHBondContact CA-OG1 3.35Å; K937-T940 PolarHBondContact O-OG1 3.44Å; T940-N944 VanDerWaalsContact O-CB 3.3Å; T940-N944 WeakPolarHBondContact O-CB 3.42Å; T940-N944 VanDerWaalsContact O-CG 3.28Å; T940-N944 PolarHBondContact O-N 2.8Å; T940-N944 PolarHBondContact O-ND2 2.87Å
941K90.7Very high90.6Very high185 Ų18566.4 Ų66.480%0.80432%0.321SS*.Hα-helixtrans-64-44178.4-68.9-174.5-179.8-1790112.4R939 S945R939-K941 PolarHBondContact O-N 2.89Å; R939-K941 VanDerWaalsContact O-N 3.13Å; K941-S945 PolarHBondContact O-N 3.43Å; K941-S945 PolarHBondContact O-OG 2.69Å
942D89.8Confident90.7Very high42 Ų4267.3 Ų67.323%0.22532%0.322CS..Hα-helixtrans-69.7-41.4-179.6-61.4-32.9000111K901 R939 S945 V946K901-D942 HydrophobicContact CD-CB 4.44Å; K901-D942 WeakPolarHBondContact CE-OD1 3.39Å; K901-D942 IonicContact NZ-OD1 3.63Å; K901-D942 PolarHBondContact NZ-OD1 2.94Å; K901-D942 IonicContact NZ-OD2 3.8Å; K901-D942 PolarHBondContact NZ-OD2 2.91Å; R939-D942 PolarHBondContact O-N 2.85Å; D942-S945 PolarHBondContact O-N 3.2Å; D942-S945 PolarHBondContact O-OG 2.7Å; D942-V946 WeakPolarHBondContact O-CG2 3.38Å; D942-V946 PolarHBondContact O-N 2.83Å
943L92.7Very high90.8Very high0 Ų065.6 Ų65.60%031%0.314CS..Hα-helixtrans-66.2-39177.5-70.7162.8000111.9M897 Y929 F932 A933 E936 R939 A947M897-L943 HydrophobicContact CE-CD2 3.92Å; M897-L943 HydrophobicContact CE-CG 4.43Å; M897-L943 HydrophobicContact CG-CD2 4.18Å; Y929-L943 HydrophobicContact CD1-CD2 3.74Å; Y929-L943 HydrophobicContact CE1-CD2 4.42Å; F932-L943 HydrophobicContact CB-CD2 4.44Å; F932-L943 HydrophobicContact CD1-CD1 3.64Å; F932-L943 HydrophobicContact CD1-CD2 3.72Å; F932-L943 HydrophobicContact CD1-CG 4.35Å; F932-L943 HydrophobicContact CE1-CD1 4.37Å; A933-L943 HydrophobicContact CB-CB 3.59Å; A933-L943 HydrophobicContact CB-CD1 4.34Å; E936-L943 HydrophobicContact CB-CD1 4.15Å; R939-L943 HydrophobicContact CB-CD1 4.25Å; R939-L943 PolarHBondContact O-N 3.05Å; L943-A947 WeakPolarHBondContact O-CB 3.44Å; L943-A947 PolarHBondContact O-N 2.72Å
944N92.6Very high90.9Very high50 Ų5065.5 Ų65.527%0.26731%0.314SS..Hα-helixtrans-68.7-38.4175.5-77.3-27.5000112.3A933 T940 V946 A947 E948A933-N944 VanDerWaalsContact CB-OD1 3.3Å; A933-N944 WeakPolarHBondContact CB-OD1 3.36Å; T940-N944 VanDerWaalsContact O-CB 3.3Å; T940-N944 WeakPolarHBondContact O-CB 3.42Å; T940-N944 VanDerWaalsContact O-CG 3.28Å; T940-N944 PolarHBondContact O-N 2.8Å; T940-N944 PolarHBondContact O-ND2 2.87Å; N944-V946 VanDerWaalsContact C-N 3.34Å; N944-A947 PolarHBondContact O-N 2.96Å; N944-E948 WeakPolarHBondContact O-CG 3.44Å; N944-E948 PolarHBondContact O-N 3.48Å
945S91.5Very high91Very high57 Ų5760.3 Ų60.340%0.39929%0.287SS..Hα-helixtrans-66.8-37.4176.768.10000112K941 D942 L949K941-S945 PolarHBondContact O-N 3.43Å; K941-S945 PolarHBondContact O-OG 2.69Å; D942-S945 PolarHBondContact O-N 3.2Å; D942-S945 PolarHBondContact O-OG 2.7Å; S945-L949 WeakPolarHBondContact O-CB 3.42Å; S945-L949 PolarHBondContact O-N 2.89Å
946V92.9Very high91.2Very high3 Ų356.3 Ų56.32%0.01827%0.271CS..Hα-helixtrans-67.1-41173.21770000111M897 L908 Y929 D942 N944 L949 C950M897-V946 HydrophobicContact CG-CG2 3.93Å; L908-V946 HydrophobicContact CD2-CG1 3.3Å; Y929-V946 HydrophobicContact CD1-CG1 4.48Å; Y929-V946 HydrophobicContact CD2-CB 4.49Å; Y929-V946 HydrophobicContact CD2-CG1 3.55Å; Y929-V946 HydrophobicContact CE2-CG1 3.59Å; Y929-V946 HydrophobicContact CG-CG1 4.03Å; D942-V946 WeakPolarHBondContact O-CG2 3.38Å; D942-V946 PolarHBondContact O-N 2.83Å; N944-V946 VanDerWaalsContact C-N 3.34Å; V946-L949 PolarHBondContact O-N 3.49Å; V946-C950 PolarHBondContact O-N 2.84Å; V946-C950 PolarHBondContact O-SG 3.42Å; V946-C950 VanDerWaalsContact O-SG 3.38Å
947A93.6Very high91.5Very high0 Ų054 Ų540%026%0.26CS..Hα-helixtrans-62.3-43.5176.100000112.3S926 R930 L943 N944 L949 C950 E951S926-A947 PolarHBondContact OG-O 3.29Å; R930-A947 HydrophobicContact CB-CB 4.21Å; L943-A947 WeakPolarHBondContact O-CB 3.44Å; L943-A947 PolarHBondContact O-N 2.72Å; N944-A947 PolarHBondContact O-N 2.96Å; A947-L949 VanDerWaalsContact C-N 3.35Å; A947-C950 PolarHBondContact O-N 3.44Å; A947-E951 WeakPolarHBondContact O-CB 3.25Å; A947-E951 PolarHBondContact O-N 3.11Å
948E93.1Very high91.7Very high102 Ų10245.5 Ų45.548%0.47722%0.223SC..Hα-helixtrans-63.4-39174.8-75173.5-17000111.8N944 E951 N952N944-E948 WeakPolarHBondContact O-CG 3.44Å; N944-E948 PolarHBondContact O-N 3.48Å; E948-E951 PolarHBondContact O-N 2.74Å; E948-N952 WeakPolarHBondContact O-CB 3.11Å; E948-N952 VanDerWaalsContact O-CG 3.23Å; E948-N952 PolarHBondContact O-N 3.49Å; E948-N952 PolarHBondContact O-ND2 2.99Å
949L92.5Very high91.9Very high35 Ų3538.7 Ų38.718%0.18320%0.196CC..Hα-helixtrans-62.3-45174.2178.1137.1000111.9N905 L908 S945 V946 A947 N952 I953N905-L949 HydrophobicContact CB-CD1 3.96Å; N905-L949 HydrophobicContact CB-CD2 4.19Å; L908-L949 HydrophobicContact CD2-CD2 4.29Å; S945-L949 WeakPolarHBondContact O-CB 3.42Å; S945-L949 PolarHBondContact O-N 2.89Å; V946-L949 PolarHBondContact O-N 3.49Å; A947-L949 VanDerWaalsContact C-N 3.35Å; L949-N952 PolarHBondContact O-N 2.95Å; L949-I953 HydrophobicContact CD2-CD1 3.57Å; L949-I953 HydrophobicContact CG-CD1 4.11Å; L949-I953 VanDerWaalsContact O-CG1 3.29Å; L949-I953 WeakPolarHBondContact O-CG1 3.5Å; L949-I953 PolarHBondContact O-N 2.94Å
950C94.3Very high92.1Very high0 Ų035.5 Ų35.50%019%0.185CC..Hα-helixtrans-64.2-39174.5-670000112.1A922 V946 A947 N952 I953 A954A922-C950 WeakPolarHBondContact O-CB 3.11Å; V946-C950 PolarHBondContact O-N 2.84Å; V946-C950 PolarHBondContact O-SG 3.42Å; V946-C950 VanDerWaalsContact O-SG 3.38Å; A947-C950 PolarHBondContact O-N 3.44Å; C950-N952 VanDerWaalsContact C-N 3.35Å; C950-I953 PolarHBondContact O-N 3.17Å; C950-A954 WeakPolarHBondContact O-CB 3.14Å; C950-A954 PolarHBondContact O-N 2.86Å
951E93.4Very high91.9Very high0 Ų033.7 Ų33.70%017%0.174CC..Hα-helixtrans-63.2-40.5176.4-166.8167-174.700111R930 A947 E948 A954 T955 K991 I992 V993R930-E951 IonicContact CZ-OE2 2.68Å; R930-E951 IonicContact NH1-OE2 2.74Å; R930-E951 PolarHBondContact NH1-OE2 3.47Å; R930-E951 IonicContact NH2-OE2 2.71Å; A947-E951 WeakPolarHBondContact O-CB 3.25Å; A947-E951 PolarHBondContact O-N 3.11Å; E948-E951 PolarHBondContact O-N 2.74Å; E951-A954 PolarHBondContact O-N 3.31Å; E951-T955 VanDerWaalsContact O-CG2 3.31Å; E951-T955 WeakPolarHBondContact O-CG2 3.48Å; E951-T955 PolarHBondContact O-N 3.41Å; E951-K991 PolarHBondContact OE1-N 3.16Å; E951-I992 HydrophobicContact CG-CB 4.07Å; E951-I992 HydrophobicContact CG-CD1 4.26Å; E951-I992 HydrophobicContact CG-CG1 4.46Å; E951-I992 VanDerWaalsContact OE1-CB 3.27Å; E951-I992 WeakPolarHBondContact OE1-CB 3.45Å; E951-I992 VanDerWaalsContact OE1-CG1 3.3Å; E951-I992 WeakPolarHBondContact OE1-CG1 3.37Å; E951-I992 PolarHBondContact OE1-N 3.15Å; E951-V993 HydrophobicContact CG-CG2 3.96Å
952N92.7Very high91.7Very high76 Ų7625.7 Ų25.741%0.40614%0.143SC..Hα-helixtrans-69-40.9175.2-68.3-22.3000113E948 L949 C950 A954 T955 E956E948-N952 WeakPolarHBondContact O-CB 3.11Å; E948-N952 VanDerWaalsContact O-CG 3.23Å; E948-N952 PolarHBondContact O-N 3.49Å; E948-N952 PolarHBondContact O-ND2 2.99Å; L949-N952 PolarHBondContact O-N 2.95Å; C950-N952 VanDerWaalsContact C-N 3.35Å; N952-A954 VanDerWaalsContact C-N 3.27Å; N952-A954 PolarHBondContact O-N 3.03Å; N952-T955 WeakPolarHBondContact CA-OG1 3.18Å; N952-T955 PolarHBondContact O-N 3.22Å; N952-T955 PolarHBondContact O-OG1 3.42Å; N952-E956 WeakPolarHBondContact O-CG 3.49Å; N952-E956 PolarHBondContact O-N 3.18Å
953I92.7Very high91.6Very high4 Ų427.8 Ų27.82%0.02117%0.166CC..Hα-helixtrans-62.1-40.3174.8-68.3165.2000110.2K909 I912 A922 L949 C950 L957K909-I953 HydrophobicContact CG-CD1 3.86Å; I912-I953 HydrophobicContact CD1-CD1 4.07Å; I912-I953 HydrophobicContact CG2-CG2 3.93Å; A922-I953 HydrophobicContact CB-CG2 4.44Å; L949-I953 HydrophobicContact CD2-CD1 3.57Å; L949-I953 HydrophobicContact CG-CD1 4.11Å; L949-I953 VanDerWaalsContact O-CG1 3.29Å; L949-I953 WeakPolarHBondContact O-CG1 3.5Å; L949-I953 PolarHBondContact O-N 2.94Å; C950-I953 PolarHBondContact O-N 3.17Å; I953-L957 HydrophobicContact CG2-CD1 3.54Å; I953-L957 HydrophobicContact CG2-CG 4.18Å; I953-L957 VanDerWaalsContact O-CB 3.31Å; I953-L957 WeakPolarHBondContact O-CB 3.48Å; I953-L957 VanDerWaalsContact O-CG 3.26Å; I953-L957 WeakPolarHBondContact O-CG 3.28Å; I953-L957 PolarHBondContact O-N 3.06Å
954A93.2Very high91.2Very high0 Ų032.9 Ų32.90%019%0.189CC..Hα-helixtrans-62.7-41.7175.200000112.1V919 A922 V923 C950 E951 N952 L958 V993V919-A954 HydrophobicContact CG1-CB 4.39Å; A922-A954 HydrophobicContact CB-CB 3.86Å; V923-A954 HydrophobicContact CG2-CB 3.97Å; C950-A954 WeakPolarHBondContact O-CB 3.14Å; C950-A954 PolarHBondContact O-N 2.86Å; E951-A954 PolarHBondContact O-N 3.31Å; N952-A954 VanDerWaalsContact C-N 3.27Å; N952-A954 PolarHBondContact O-N 3.03Å; A954-L958 WeakPolarHBondContact O-CB 3.47Å; A954-L958 PolarHBondContact O-N 3.02Å; A954-V993 HydrophobicContact CB-CG2 4Å
955T92.6Very high90.7Very high19 Ų1933.6 Ų33.612%0.11719%0.191CC..Hα-helixtrans-66.4-44.4177.660.90000112.3E951 N952 L958 S959 I992 V993E951-T955 VanDerWaalsContact O-CG2 3.31Å; E951-T955 WeakPolarHBondContact O-CG2 3.48Å; E951-T955 PolarHBondContact O-N 3.41Å; N952-T955 WeakPolarHBondContact CA-OG1 3.18Å; N952-T955 PolarHBondContact O-N 3.22Å; N952-T955 PolarHBondContact O-OG1 3.42Å; T955-L958 PolarHBondContact O-N 3.38Å; T955-S959 WeakPolarHBondContact O-CB 3.31Å; T955-S959 PolarHBondContact O-N 2.88Å; T955-I992 HydrophobicContact CG2-CG2 3.95Å; T955-V993 HydrophobicContact CG2-CB 4.16Å; T955-V993 HydrophobicContact CG2-CG2 3.78Å
956E92Very high90.4Very high65 Ų6535.3 Ų35.330%0.30420%0.196SC..Hα-helixtrans-65.4-48.7179.9-71.3176.8165.300111.3N952 L958 S959 I960 Y1399N952-E956 WeakPolarHBondContact O-CG 3.49Å; N952-E956 PolarHBondContact O-N 3.18Å; E956-L958 VanDerWaalsContact C-N 3.32Å; E956-L958 PolarHBondContact O-N 3.45Å; E956-S959 WeakPolarHBondContact O-CB 3.4Å; E956-S959 PolarHBondContact O-N 3.44Å; E956-S959 VanDerWaalsContact O-N 3.1Å; E956-S959 PolarHBondContact O-OG 2.92Å; E956-I960 WeakPolarHBondContact O-CG1 3.46Å; E956-I960 PolarHBondContact O-N 3.12Å; E956-Y1399 HydrophobicContact CB-CD2 4.4Å; E956-Y1399 HydrophobicContact CB-CE2 3.85Å; E956-Y1399 VanDerWaalsContact OE2-CE2 3.22Å; E956-Y1399 WeakPolarHBondContact OE2-CE2 3.31Å; E956-Y1399 PolarHBondContact OE2-OH 2.9Å
957L92.1Very high89.9Confident0 Ų036.2 Ų36.20%020%0.202CC..Hα-helixtrans-62.6-39.5176.7-71.2169.8000112I912 L913 P918 V919 I953 S959 I960 A961 V1395 Y1399I912-L957 HydrophobicContact CG2-CD1 4.47Å; L913-L957 HydrophobicContact CD2-CD1 4.43Å; L913-L957 HydrophobicContact CD2-CD2 4.28Å; P918-L957 HydrophobicContact CB-CD1 3.68Å; V919-L957 HydrophobicContact CG2-CB 3.68Å; V919-L957 HydrophobicContact CG2-CD1 4.5Å; I953-L957 HydrophobicContact CG2-CD1 3.54Å; I953-L957 HydrophobicContact CG2-CG 4.18Å; I953-L957 VanDerWaalsContact O-CB 3.31Å; I953-L957 WeakPolarHBondContact O-CB 3.48Å; I953-L957 VanDerWaalsContact O-CG 3.26Å; I953-L957 WeakPolarHBondContact O-CG 3.28Å; I953-L957 PolarHBondContact O-N 3.06Å; L957-S959 VanDerWaalsContact C-N 3.32Å; L957-I960 PolarHBondContact O-N 3.15Å; L957-A961 WeakPolarHBondContact O-CB 3.38Å; L957-A961 PolarHBondContact O-N 2.83Å; L957-V1395 HydrophobicContact CD2-CG1 4.27Å; L957-Y1399 HydrophobicContact CD2-CD1 4.17Å; L957-Y1399 HydrophobicContact CD2-CD2 4.23Å; L957-Y1399 HydrophobicContact CD2-CG 3.82Å
958L90.2Very high89.4Confident2 Ų236.9 Ų36.91%0.0121%0.207CC..Hα-helixtrans-66.2-35.6174.8-171.867.6000111.5V919 A954 T955 E956 A962 I970 V993 V999V919-L958 HydrophobicContact CG1-CB 4.3Å; A954-L958 WeakPolarHBondContact O-CB 3.47Å; A954-L958 PolarHBondContact O-N 3.02Å; T955-L958 PolarHBondContact O-N 3.38Å; E956-L958 VanDerWaalsContact C-N 3.32Å; E956-L958 PolarHBondContact O-N 3.45Å; L958-A962 WeakPolarHBondContact O-CB 3.44Å; L958-A962 PolarHBondContact O-N 3.08Å; L958-I970 HydrophobicContact CD1-CD1 4.32Å; L958-I970 HydrophobicContact CD1-CG2 4.07Å; L958-V993 HydrophobicContact CD2-CG1 3.67Å; L958-V999 HydrophobicContact CD2-CG2 3.37Å; L958-V999 HydrophobicContact CG-CG2 4.44Å
959S89.8Confident88.9Confident42 Ų4235.4 Ų35.429%0.29420%0.202SC..Hα-helixtrans-65.4-42.9176.481.30000112.1T955 E956 L957 A962 A963T955-S959 WeakPolarHBondContact O-CB 3.31Å; T955-S959 PolarHBondContact O-N 2.88Å; E956-S959 WeakPolarHBondContact O-CB 3.4Å; E956-S959 PolarHBondContact O-N 3.44Å; E956-S959 VanDerWaalsContact O-N 3.1Å; E956-S959 PolarHBondContact O-OG 2.92Å; L957-S959 VanDerWaalsContact C-N 3.32Å; S959-A962 PolarHBondContact O-N 2.92Å; S959-A963 PolarHBondContact O-N 3.48Å
960I90.4Very high88.5Confident25 Ų2533.8 Ų33.813%0.12819%0.194CC..Hα-helixtrans-69.3-46178.6-64.4169.3000109.7E956 L957 A962 A963 E964 V1395 L1398 Y1399E956-I960 WeakPolarHBondContact O-CG1 3.46Å; E956-I960 PolarHBondContact O-N 3.12Å; L957-I960 PolarHBondContact O-N 3.15Å; I960-A962 VanDerWaalsContact C-N 3.28Å; I960-A962 PolarHBondContact O-N 3.32Å; I960-A963 WeakPolarHBondContact O-CB 3.3Å; I960-A963 PolarHBondContact O-N 2.74Å; I960-A963 VanDerWaalsContact O-N 3.08Å; I960-E964 PolarHBondContact O-N 2.89Å; I960-E964 VanDerWaalsContact O-N 3.14Å; I960-V1395 HydrophobicContact CB-CG1 4.3Å; I960-V1395 HydrophobicContact CG2-CG1 3.98Å; I960-L1398 HydrophobicContact CG2-CB 3.94Å; I960-L1398 HydrophobicContact CG2-CD1 4.17Å; I960-Y1399 HydrophobicContact CD1-CD2 3.67Å; I960-Y1399 HydrophobicContact CD1-CG 4.23Å
961A88.3Confident88.2Confident0 Ų033.8 Ų33.80%019%0.194CC..Hα-helixtrans-63.7-34.9177.400000112L957 A963 H965 I970 I1390 W1392 V1395L957-A961 WeakPolarHBondContact O-CB 3.38Å; L957-A961 PolarHBondContact O-N 2.83Å; A961-A963 VanDerWaalsContact C-N 3.32Å; A961-H965 WeakPolarHBondContact O-CA 3.27Å; A961-H965 WeakPolarHBondContact O-CB 3.46Å; A961-H965 PolarHBondContact O-N 3.21Å; A961-I970 HydrophobicContact CB-CD1 3.36Å; A961-I1390 HydrophobicContact CB-CD1 4.31Å; A961-W1392 HydrophobicContact CB-CH2 4.44Å; A961-W1392 HydrophobicContact CB-CZ3 4.08Å; A961-V1395 HydrophobicContact CB-CG1 4.16Å; A961-V1395 HydrophobicContact CB-CG2 4.29Å
962A86.2Confident87.7Confident18 Ų1837.4 Ų37.415%0.14921%0.209CC..Hα-helixtrans-75.3-17.3174.500000114.1L958 S959 I960 H965 P967L958-A962 WeakPolarHBondContact O-CB 3.44Å; L958-A962 PolarHBondContact O-N 3.08Å; S959-A962 PolarHBondContact O-N 2.92Å; I960-A962 VanDerWaalsContact C-N 3.28Å; I960-A962 PolarHBondContact O-N 3.32Å; A962-H965 CarbonylContact C-O 3.46Å; A962-H965 WeakPolarHBondContact CA-O 3.49Å; A962-H965 VanDerWaalsContact O-O 3.09Å; A962-P967 HydrophobicContact CB-CB 3.91Å; A962-P967 HydrophobicContact CB-CG 4.43Å
963A87.3Confident87.4Confident86 Ų8634 Ų3471%0.71119%0.192SC*.Hα-helixtrans-81.6-38.8174.200000111.5S959 I960 A961S959-A963 PolarHBondContact O-N 3.48Å; I960-A963 WeakPolarHBondContact O-CB 3.3Å; I960-A963 PolarHBondContact O-N 2.74Å; I960-A963 VanDerWaalsContact O-N 3.08Å; A961-A963 VanDerWaalsContact C-N 3.32Å
964E84.6Confident86.9Confident106 Ų10635.8 Ų35.850%0.49520%0.2SC..Hα-helixtrans-83.2-39.4178.7-73.2-67.9146.800112.9I960 L1398I960-E964 PolarHBondContact O-N 2.89Å; I960-E964 VanDerWaalsContact O-N 3.14Å; E964-L1398 HydrophobicContact CG-CD1 3.77Å
965H82.4Confident86.4Confident65 Ų6535.9 Ų35.930%0.30120%0.201SC..SBendtrans-122158-175-57.7-56.2000111.1A961 A962 P967 I1390A961-H965 WeakPolarHBondContact O-CA 3.27Å; A961-H965 WeakPolarHBondContact O-CB 3.46Å; A961-H965 PolarHBondContact O-N 3.21Å; A962-H965 CarbonylContact C-O 3.46Å; A962-H965 WeakPolarHBondContact CA-O 3.49Å; A962-H965 VanDerWaalsContact O-O 3.09Å; H965-P967 WeakPolarHBondContact O-CD 3.43Å; H965-P967 VanDerWaalsContact O-N 3.16Å; H965-I1390 HydrophobicContact CB-CD1 4.12Å
966N83.5Confident85.6Confident93 Ų9340.6 Ų40.650%0.49722%0.219SC..  trans-62.8120.1175-174.4-12000109.2A968 L969N966-A968 PolarHBondContact O-N 3.16Å; N966-A968 WeakPolarHBondContact OD1-CB 3.3Å; N966-A968 PolarHBondContact OD1-N 3.11Å; N966-A968 VanDerWaalsContact OD1-N 3.12Å; N966-L969 HydrophobicContact CB-CD1 4.15Å; N966-L969 HydrophobicContact CB-CG 4.38Å; N966-L969 WeakPolarHBondContact O-CB 3.35Å; N966-L969 PolarHBondContact O-N 3.16Å
967P82.6Confident84.9Confident23 Ų2345 Ų4515%0.14923%0.233CC..Hα-helixtrans-56.8-25.2-17920.9-33.2000112.8A962 H965 L969 I970 L971A962-P967 HydrophobicContact CB-CB 3.91Å; A962-P967 HydrophobicContact CB-CG 4.43Å; H965-P967 WeakPolarHBondContact O-CD 3.43Å; H965-P967 VanDerWaalsContact O-N 3.16Å; P967-L969 VanDerWaalsContact C-N 3.27Å; P967-L969 PolarHBondContact O-N 2.91Å; P967-I970 PolarHBondContact O-N 3.32Å; P967-L971 VanDerWaalsContact O-CG 3.3Å; P967-L971 WeakPolarHBondContact O-CG 3.22Å; P967-L971 PolarHBondContact O-N 3.36Å; P967-L971 VanDerWaalsContact O-N 3.1Å
968A82.8Confident84.1Confident13 Ų1347.5 Ų47.511%0.10726%0.259CS..Hα-helixtrans-59.8-34.2175.800000113.3N966 K972 Y1002N966-A968 PolarHBondContact O-N 3.16Å; N966-A968 WeakPolarHBondContact OD1-CB 3.3Å; N966-A968 PolarHBondContact OD1-N 3.11Å; N966-A968 VanDerWaalsContact OD1-N 3.12Å; A968-K972 VanDerWaalsContact O-CB 3.26Å; A968-K972 WeakPolarHBondContact O-CB 3.28Å; A968-K972 WeakPolarHBondContact O-CG 3.33Å; A968-K972 PolarHBondContact O-N 3.32Å; A968-K972 VanDerWaalsContact O-N 3.09Å; A968-Y1002 HydrophobicContact CB-CD2 3.6Å; A968-Y1002 HydrophobicContact CB-CE2 3.6Å
969L84.2Confident83.6Confident71 Ų7149.9 Ų49.937%0.37227%0.27SS..Hα-helixtrans-66.2-43.9179.7-70.5165.6000110.7N966 P967 A973 V1389N966-L969 HydrophobicContact CB-CD1 4.15Å; N966-L969 HydrophobicContact CB-CG 4.38Å; N966-L969 WeakPolarHBondContact O-CB 3.35Å; N966-L969 PolarHBondContact O-N 3.16Å; P967-L969 VanDerWaalsContact C-N 3.27Å; P967-L969 PolarHBondContact O-N 2.91Å; L969-A973 WeakPolarHBondContact O-CB 3.3Å; L969-A973 PolarHBondContact O-N 2.96Å; L969-V1389 HydrophobicContact CB-CG1 3.9Å
970I84.5Confident83.4Confident1 Ų149.1 Ų49.11%0.00526%0.264CS..Hα-helixtrans-67.7-46.7-179.2-40.4-170.3000110.9L958 A961 P967 K972 A973 F981 I1386 I1390 W1392L958-I970 HydrophobicContact CD1-CD1 4.32Å; L958-I970 HydrophobicContact CD1-CG2 4.07Å; A961-I970 HydrophobicContact CB-CD1 3.36Å; P967-I970 PolarHBondContact O-N 3.32Å; I970-K972 VanDerWaalsContact C-N 3.3Å; I970-K972 PolarHBondContact O-N 2.96Å; I970-A973 VanDerWaalsContact O-CB 3.31Å; I970-A973 WeakPolarHBondContact O-CB 3.32Å; I970-A973 PolarHBondContact O-N 3.48Å; I970-F981 HydrophobicContact CG2-CD1 4.28Å; I970-F981 WeakPolarHBondContact O-CB 3.22Å; I970-I1386 HydrophobicContact CG2-CD1 4.21Å; I970-I1390 HydrophobicContact CD1-CD1 3.29Å; I970-I1390 HydrophobicContact CG1-CD1 3.35Å; I970-W1392 HydrophobicContact CG2-CH2 4.04Å; I970-W1392 HydrophobicContact CG2-CZ2 4.32Å
971L86.5Confident83.3Confident0 Ų048 Ų480%026%0.258CS..Hα-helixtrans-72.8-25.8-174-65.3171.7000112.4P967 F981 I982 L985 V999 Y1002P967-L971 VanDerWaalsContact O-CG 3.3Å; P967-L971 WeakPolarHBondContact O-CG 3.22Å; P967-L971 PolarHBondContact O-N 3.36Å; P967-L971 VanDerWaalsContact O-N 3.1Å; L971-F981 HydrophobicContact CD2-CD1 4.21Å; L971-F981 PolarHBondContact O-N 3Å; L971-I982 HydrophobicContact CB-CB 4.39Å; L971-I982 HydrophobicContact CD2-CD1 4.27Å; L971-I982 PolarHBondContact O-N 3.48Å; L971-I982 VanDerWaalsContact O-N 3.14Å; L971-L985 HydrophobicContact CD2-CD1 3.96Å; L971-V999 HydrophobicContact CD1-CB 4.36Å; L971-V999 HydrophobicContact CD1-CG1 4.08Å; L971-V999 HydrophobicContact CD1-CG2 4.25Å; L971-V999 HydrophobicContact CD2-CG1 4.32Å; L971-V999 HydrophobicContact CD2-CG2 4.27Å; L971-Y1002 HydrophobicContact CB-CD1 3.93Å; L971-Y1002 HydrophobicContact CB-CE1 3.8Å; L971-Y1002 HydrophobicContact CD1-CD1 3.38Å; L971-Y1002 HydrophobicContact CD1-CE1 4.14Å; L971-Y1002 HydrophobicContact CD1-CG 3.63Å; L971-Y1002 HydrophobicContact CG-CD1 4.3Å
972K84.2Confident83.3Confident76 Ų7648.7 Ų48.733%0.3326%0.262SS..Hα-helixtrans-84.4-20.1171.2-71.5-177.3177.8-173.20113.7A968 I970 Y1002 F1372A968-K972 VanDerWaalsContact O-CB 3.26Å; A968-K972 WeakPolarHBondContact O-CB 3.28Å; A968-K972 WeakPolarHBondContact O-CG 3.33Å; A968-K972 PolarHBondContact O-N 3.32Å; A968-K972 VanDerWaalsContact O-N 3.09Å; I970-K972 VanDerWaalsContact C-N 3.3Å; I970-K972 PolarHBondContact O-N 2.96Å; K972-Y1002 HydrophobicContact CG-CE2 4.47Å; K972-Y1002 WeakPolarHBondContact CG-OH 3.34Å; K972-F1372 HydrophobicContact CG-CZ 4.29Å
973A85Confident83.4Confident4 Ų449.2 Ų49.23%0.03326%0.262CS..SBendtrans-57.7148.1179.900000110.8L969 I970 P980 F981 I1386 V1389L969-A973 WeakPolarHBondContact O-CB 3.3Å; L969-A973 PolarHBondContact O-N 2.96Å; I970-A973 VanDerWaalsContact O-CB 3.31Å; I970-A973 WeakPolarHBondContact O-CB 3.32Å; I970-A973 PolarHBondContact O-N 3.48Å; A973-P980 CarbonylContact O-C 3.53Å; A973-F981 WeakPolarHBondContact O-CB 3.32Å; A973-F981 PolarHBondContact O-N 2.92Å; A973-I1386 HydrophobicContact CB-CB 3.87Å; A973-I1386 HydrophobicContact CB-CD1 4.45Å; A973-I1386 HydrophobicContact CB-CG1 4.04Å; A973-V1389 HydrophobicContact CB-CG2 3.87Å
974H84Confident83.3Confident43 Ų4345.1 Ų45.120%0.19923%0.228CC..BIsolated β-bridgetrans-90.7135.4179.3-64.681.6000109.8G978 Q979 M1384 N1385 I1386H974-G978 PolarHBondContact CD2-O 3.27Å; H974-Q979 WeakPolarHBondContact CA-O 2.83Å; H974-M1384 PolarHBondContact N-O 2.94Å; H974-M1384 VanDerWaalsContact N-O 3.09Å; H974-N1385 WeakPolarHBondContact O-CA 3.42Å; H974-I1386 PolarHBondContact O-N 2.84Å
975N81.3Confident83.7Confident2 Ų240 Ų401%0.01120%0.204CC..PPolyproline II helixtrans-70.3169.8164.465.710.5000109.4R977 G978 Q979 A984N975-R977 PolarHBondContact O-N 2.94Å; N975-R977 WeakPolarHBondContact OD1-CB 3.41Å; N975-R977 PolarHBondContact OD1-N 3.14Å; N975-G978 PolarHBondContact O-N 3.49Å; N975-G978 PolarHBondContact OD1-N 2.89Å; N975-Q979 PolarHBondContact N-O 3.38Å; N975-Q979 PolarHBondContact ND2-OE1 3.43Å; N975-Q979 WeakPolarHBondContact OD1-CA 3.47Å; N975-Q979 WeakPolarHBondContact OD1-CB 3.44Å; N975-Q979 PolarHBondContact OD1-N 3.22Å; N975-Q979 PolarHBondContact OD1-O 3.39Å; N975-Q979 VanDerWaalsContact OD1-O 3.05Å; N975-A984 WeakPolarHBondContact ND2-CB 3.34Å
976K75.9Confident84Confident117 Ų11737.2 Ų37.251%0.50919%0.192SC..THydrogen-bonded Turntrans-62.5-13.9178.6-75.3-156.3176179.40114.8Y884 D1387Y884-K976 HydrophobicContact CD1-CD 4.31Å; Y884-K976 HydrophobicContact CD2-CD 3.8Å; Y884-K976 HydrophobicContact CE1-CB 4.47Å; Y884-K976 HydrophobicContact CE1-CD 4.03Å; Y884-K976 HydrophobicContact CE1-CG 4.14Å; Y884-K976 HydrophobicContact CE2-CD 3.49Å; Y884-K976 VanDerWaalsContact CE2-CD 3.49Å; Y884-K976 HydrophobicContact CE2-CG 4.28Å; Y884-K976 HydrophobicContact CG-CD 4.19Å; K976-D1387 WeakPolarHBondContact CE-OD2 3.08Å; K976-D1387 IonicContact NZ-OD2 3.21Å
977R77.7Confident84.2Confident158 Ų15838 Ų3860%0.59619%0.192SC*.THydrogen-bonded Turntrans-82.5-0172.3-62.5-176.8177.5-177.2-0.4112.8N975 Q979N975-R977 PolarHBondContact O-N 2.94Å; N975-R977 WeakPolarHBondContact OD1-CB 3.41Å; N975-R977 PolarHBondContact OD1-N 3.14Å; R977-Q979 VanDerWaalsContact C-N 3.27Å; R977-Q979 HydrophobicContact CB-CG 4.41Å; R977-Q979 PolarHBondContact O-N 2.95Å
978G75.5Confident84.5Confident52 Ų5238.3 Ų38.354%0.53619%0.191SC..SBendtrans74.415.5-177.900000113.8H974 N975H974-G978 PolarHBondContact CD2-O 3.27Å; N975-G978 PolarHBondContact O-N 3.49Å; N975-G978 PolarHBondContact OD1-N 2.89Å
979Q79.9Confident84.8Confident53 Ų5342.2 Ų42.225%0.24821%0.211CC..  trans-95.4141175.6-58.3173.8-41.100109.7H974 N975 R977 F981 E987H974-Q979 WeakPolarHBondContact CA-O 2.83Å; N975-Q979 PolarHBondContact N-O 3.38Å; N975-Q979 PolarHBondContact ND2-OE1 3.43Å; N975-Q979 WeakPolarHBondContact OD1-CA 3.47Å; N975-Q979 WeakPolarHBondContact OD1-CB 3.44Å; N975-Q979 PolarHBondContact OD1-N 3.22Å; N975-Q979 PolarHBondContact OD1-O 3.39Å; N975-Q979 VanDerWaalsContact OD1-O 3.05Å; R977-Q979 VanDerWaalsContact C-N 3.27Å; R977-Q979 HydrophobicContact CB-CG 4.41Å; R977-Q979 PolarHBondContact O-N 2.95Å; Q979-F981 PolarHBondContact O-N 3.39Å; Q979-E987 PolarHBondContact NE2-OE2 3Å
980P84.6Confident85.1Confident26 Ų2638.9 Ų38.917%0.16919%0.193CC..BIsolated β-bridgetrans-57.1140170.5-19.729.9000110.5A973 I982 D983 A984A973-P980 CarbonylContact O-C 3.53Å; P980-I982 VanDerWaalsContact C-N 3.25Å; P980-I982 HydrophobicContact CB-CG2 4.27Å; P980-I982 PolarHBondContact O-N 2.98Å; P980-D983 HydrophobicContact CB-CB 4.42Å; P980-D983 WeakPolarHBondContact O-CA 3.39Å; P980-D983 WeakPolarHBondContact O-CB 3.45Å; P980-D983 PolarHBondContact O-N 3.37Å; P980-A984 PolarHBondContact O-N 3.5Å; P980-A984 VanDerWaalsContact O-N 3.08Å
981F88.7Confident85.4Confident0 Ų042 Ų420%021%0.207CC..Hα-helixtrans-60.1-35.5-174.2-173.8-119.1000112.8V919 D920 V923 I970 L971 A973 Q979 D983 A984 L985 I1386V919-F981 HydrophobicContact CB-CZ 4.22Å; V919-F981 HydrophobicContact CG1-CE1 3.89Å; V919-F981 HydrophobicContact CG1-CZ 3.62Å; D920-F981 HydrophobicContact CB-CD2 4.47Å; D920-F981 HydrophobicContact CB-CE2 3.91Å; V923-F981 HydrophobicContact CG2-CZ 4.18Å; I970-F981 HydrophobicContact CG2-CD1 4.28Å; I970-F981 WeakPolarHBondContact O-CB 3.22Å; L971-F981 HydrophobicContact CD2-CD1 4.21Å; L971-F981 PolarHBondContact O-N 3Å; A973-F981 WeakPolarHBondContact O-CB 3.32Å; A973-F981 PolarHBondContact O-N 2.92Å; Q979-F981 PolarHBondContact O-N 3.39Å; F981-D983 VanDerWaalsContact C-N 3.28Å; F981-D983 PolarHBondContact O-N 2.94Å; F981-A984 WeakPolarHBondContact O-CB 3.23Å; F981-A984 PolarHBondContact O-N 3.06Å; F981-L985 HydrophobicContact CD1-CD1 4.12Å; F981-L985 HydrophobicContact CD1-CG 4.39Å; F981-L985 HydrophobicContact CE1-CD1 3.83Å; F981-L985 HydrophobicContact CE1-CD2 4.2Å; F981-L985 HydrophobicContact CE1-CG 4.03Å; F981-L985 HydrophobicContact CZ-CD1 4.37Å; F981-L985 HydrophobicContact CZ-CD2 3.92Å; F981-L985 HydrophobicContact CZ-CG 4.08Å; F981-L985 WeakPolarHBondContact O-CG 3.46Å; F981-L985 PolarHBondContact O-N 3.5Å; F981-I1386 HydrophobicContact CB-CD1 3.99Å; F981-I1386 HydrophobicContact CD1-CD1 3.89Å; F981-I1386 HydrophobicContact CD2-CD1 3.56Å; F981-I1386 HydrophobicContact CE1-CD1 4.3Å; F981-I1386 HydrophobicContact CE2-CD1 4.02Å; F981-I1386 HydrophobicContact CG-CD1 3.52Å; F981-I1386 HydrophobicContact CZ-CD1 4.37Å
982I88.8Confident85.7Confident16 Ų1644.9 Ų44.98%0.08222%0.222CC..Hα-helixtrans-61.7-35.5173.3-171.260000113L971 P980 L985 I986 V999 L1003L971-I982 HydrophobicContact CB-CB 4.39Å; L971-I982 HydrophobicContact CD2-CD1 4.27Å; L971-I982 PolarHBondContact O-N 3.48Å; L971-I982 VanDerWaalsContact O-N 3.14Å; P980-I982 VanDerWaalsContact C-N 3.25Å; P980-I982 HydrophobicContact CB-CG2 4.27Å; P980-I982 PolarHBondContact O-N 2.98Å; I982-L985 HydrophobicContact CD1-CD1 4.32Å; I982-L985 PolarHBondContact O-N 3.15Å; I982-I986 HydrophobicContact CG1-CD1 4.27Å; I982-I986 VanDerWaalsContact O-CG1 3.3Å; I982-I986 WeakPolarHBondContact O-CG1 3.28Å; I982-I986 PolarHBondContact O-N 2.88Å; I982-I986 VanDerWaalsContact O-N 3.14Å; I982-V999 HydrophobicContact CD1-CG1 3.78Å; I982-L1003 HydrophobicContact CD1-CD2 4.31Å; I982-L1003 HydrophobicContact CG1-CD2 4.24Å
983D87.3Confident86Confident28 Ų2841.3 Ų41.315%0.1521%0.206CC..Hα-helixtrans-71.9-37.4177.5-88.515.3000110.5P980 F981 I986 E987 R1319 K1323P980-D983 HydrophobicContact CB-CB 4.42Å; P980-D983 WeakPolarHBondContact O-CA 3.39Å; P980-D983 WeakPolarHBondContact O-CB 3.45Å; P980-D983 PolarHBondContact O-N 3.37Å; F981-D983 VanDerWaalsContact C-N 3.28Å; F981-D983 PolarHBondContact O-N 2.94Å; D983-I986 PolarHBondContact O-N 3.43Å; D983-E987 WeakPolarHBondContact O-CB 3.38Å; D983-E987 PolarHBondContact O-N 2.9Å; D983-R1319 WeakPolarHBondContact OD1-CD 3.34Å; D983-R1319 WeakPolarHBondContact OD1-CG 3.39Å; D983-K1323 WeakPolarHBondContact OD2-CE 3.3Å; D983-K1323 IonicContact OD2-NZ 2.62Å; D983-K1323 PolarHBondContact OD2-NZ 3.44Å
984A86.5Confident86.3Confident0 Ų041.1 Ų41.10%020%0.204CC..Hα-helixtrans-62-43.8172.400000111.7N975 P980 F981 I986 E987 H988N975-A984 WeakPolarHBondContact ND2-CB 3.34Å; P980-A984 PolarHBondContact O-N 3.5Å; P980-A984 VanDerWaalsContact O-N 3.08Å; F981-A984 WeakPolarHBondContact O-CB 3.23Å; F981-A984 PolarHBondContact O-N 3.06Å; A984-I986 VanDerWaalsContact C-N 3.3Å; A984-I986 PolarHBondContact O-N 3.39Å; A984-E987 PolarHBondContact O-N 3.38Å; A984-H988 VanDerWaalsContact O-CB 3.29Å; A984-H988 WeakPolarHBondContact O-CB 3.46Å; A984-H988 PolarHBondContact O-CD2 3.33Å; A984-H988 PolarHBondContact O-N 2.87Å
985L91.4Very high86.7Confident0 Ų039.9 Ų39.90%020%0.201CC..Hα-helixtrans-58.9-40.8175.1-72.2174.2000112.4V923 L971 F981 I982 N989 Q990 V993 V994V923-L985 HydrophobicContact CB-CD2 4.4Å; V923-L985 HydrophobicContact CG1-CD2 4.12Å; V923-L985 HydrophobicContact CG2-CD2 3.44Å; V923-L985 VanDerWaalsContact CG2-CD2 3.44Å; L971-L985 HydrophobicContact CD2-CD1 3.96Å; F981-L985 HydrophobicContact CD1-CD1 4.12Å; F981-L985 HydrophobicContact CD1-CG 4.39Å; F981-L985 HydrophobicContact CE1-CD1 3.83Å; F981-L985 HydrophobicContact CE1-CD2 4.2Å; F981-L985 HydrophobicContact CE1-CG 4.03Å; F981-L985 HydrophobicContact CZ-CD1 4.37Å; F981-L985 HydrophobicContact CZ-CD2 3.92Å; F981-L985 HydrophobicContact CZ-CG 4.08Å; F981-L985 WeakPolarHBondContact O-CG 3.46Å; F981-L985 PolarHBondContact O-N 3.5Å; I982-L985 HydrophobicContact CD1-CD1 4.32Å; I982-L985 PolarHBondContact O-N 3.15Å; L985-N989 PolarHBondContact O-N 3.37Å; L985-Q990 HydrophobicContact CD2-CB 4.16Å; L985-Q990 HydrophobicContact CD2-CG 4.32Å; L985-Q990 PolarHBondContact O-N 2.88Å; L985-V993 HydrophobicContact CD1-CG1 4.24Å; L985-V993 HydrophobicContact CD2-CB 4.18Å; L985-V993 HydrophobicContact CD2-CG1 3.77Å; L985-V994 HydrophobicContact CB-CG2 3.74Å; L985-V994 HydrophobicContact CD1-CG2 4.47Å
986I89Confident87.2Confident6 Ų642 Ų423%0.03121%0.21CC..Hα-helixtrans-72.1-41.7178.7-64.8165.4000110.8I982 D983 A984 N989 F1312 A1315 K1316 R1319I982-I986 HydrophobicContact CG1-CD1 4.27Å; I982-I986 VanDerWaalsContact O-CG1 3.3Å; I982-I986 WeakPolarHBondContact O-CG1 3.28Å; I982-I986 PolarHBondContact O-N 2.88Å; I982-I986 VanDerWaalsContact O-N 3.14Å; D983-I986 PolarHBondContact O-N 3.43Å; A984-I986 VanDerWaalsContact C-N 3.3Å; A984-I986 PolarHBondContact O-N 3.39Å; I986-N989 PolarHBondContact O-N 3.33Å; I986-F1312 HydrophobicContact CG2-CZ 4.25Å; I986-A1315 HydrophobicContact CD1-CB 4.3Å; I986-K1316 HydrophobicContact CG2-CG 4.47Å; I986-R1319 HydrophobicContact CD1-CB 4.15Å
987E87.2Confident87.9Confident108 Ų10841 Ų4151%0.50522%0.216SC..Hα-helixtrans-65.8-39.5178.5-168.1174172.300112Q979 D983 A984 N989Q979-E987 PolarHBondContact NE2-OE2 3Å; D983-E987 WeakPolarHBondContact O-CB 3.38Å; D983-E987 PolarHBondContact O-N 2.9Å; A984-E987 PolarHBondContact O-N 3.38Å; E987-N989 PolarHBondContact O-N 2.98Å
988H89Confident88.4Confident30 Ų3034.9 Ų34.914%0.13920%0.198CC..THydrogen-bonded Turntrans-77.87.2175.5-72.7-58.5000114.4V923 S927 A984 Q990V923-H988 HydrophobicContact CG1-CB 3.95Å; S927-H988 VanDerWaalsContact CB-ND1 3.29Å; S927-H988 WeakPolarHBondContact CB-ND1 3.44Å; S927-H988 PolarHBondContact OG-ND1 3.4Å; A984-H988 VanDerWaalsContact O-CB 3.29Å; A984-H988 WeakPolarHBondContact O-CB 3.46Å; A984-H988 PolarHBondContact O-CD2 3.33Å; A984-H988 PolarHBondContact O-N 2.87Å; H988-Q990 HydrophobicContact CB-CG 4.01Å; H988-Q990 PolarHBondContact O-N 3.05Å; H988-Q990 PolarHBondContact O-NE2 3.2Å; H988-Q990 VanDerWaalsContact O-NE2 3.09Å
989N89.1Confident89.1Confident95 Ų9532.5 Ų32.551%0.50817%0.172SC..THydrogen-bonded Turntrans50.239.6179.8-71.3-50.1000114L985 I986 E987 K991 F1312L985-N989 PolarHBondContact O-N 3.37Å; I986-N989 PolarHBondContact O-N 3.33Å; E987-N989 PolarHBondContact O-N 2.98Å; N989-K991 VanDerWaalsContact C-N 3.27Å; N989-K991 PolarHBondContact O-N 2.87Å; N989-F1312 HydrophobicContact CB-CZ 4.49Å; N989-F1312 WeakPolarHBondContact OD1-CZ 3.48Å
990Q91.2Very high89.7Confident1 Ų130.8 Ų30.81%0.00516%0.164CC..  trans-80.174.1179.6-62.5-59.9-53.100111V923 S926 L985 H988 I992 V993 V994V923-Q990 HydrophobicContact CB-CG 4.44Å; V923-Q990 HydrophobicContact CG1-CG 3.76Å; V923-Q990 HydrophobicContact CG2-CG 4.27Å; S926-Q990 PolarHBondContact OG-NE2 3.45Å; S926-Q990 PolarHBondContact OG-OE1 3.41Å; L985-Q990 HydrophobicContact CD2-CB 4.16Å; L985-Q990 HydrophobicContact CD2-CG 4.32Å; L985-Q990 PolarHBondContact O-N 2.88Å; H988-Q990 HydrophobicContact CB-CG 4.01Å; H988-Q990 PolarHBondContact O-N 3.05Å; H988-Q990 PolarHBondContact O-NE2 3.2Å; H988-Q990 VanDerWaalsContact O-NE2 3.09Å; Q990-I992 VanDerWaalsContact C-N 3.34Å; Q990-I992 PolarHBondContact O-N 3.45Å; Q990-V993 HydrophobicContact CB-CB 4.08Å; Q990-V993 HydrophobicContact CB-CG2 3.95Å; Q990-V993 PolarHBondContact O-N 2.9Å; Q990-V994 WeakPolarHBondContact O-CB 3.47Å; Q990-V994 VanDerWaalsContact O-CG2 3.29Å; Q990-V994 WeakPolarHBondContact O-CG2 3.4Å; Q990-V994 PolarHBondContact O-N 2.84Å
991K91.4Very high89.9Confident66 Ų6638 Ų3829%0.28719%0.188SC..Hα-helixtrans-60.3-41.7-172.2-63.2-179.7179.7178.30112E951 N989 S995 I1308 E1309 F1312E951-K991 PolarHBondContact OE1-N 3.16Å; N989-K991 VanDerWaalsContact C-N 3.27Å; N989-K991 PolarHBondContact O-N 2.87Å; K991-S995 VanDerWaalsContact O-CB 3.28Å; K991-S995 WeakPolarHBondContact O-CB 3.33Å; K991-S995 PolarHBondContact O-N 3Å; K991-S995 VanDerWaalsContact O-N 3.08Å; K991-S995 PolarHBondContact O-OG 3.03Å; K991-I1308 HydrophobicContact CB-CG2 3.97Å; K991-E1309 HydrophobicContact CD-CG 4.37Å; K991-E1309 IonicContact NZ-OE1 3.71Å; K991-E1309 PolarHBondContact NZ-OE1 3.37Å; K991-F1312 HydrophobicContact CB-CB 4.44Å; K991-F1312 HydrophobicContact CB-CD2 4.43Å; K991-F1312 HydrophobicContact CB-CG 4.46Å; K991-F1312 HydrophobicContact CG-CB 4.3Å; K991-F1312 HydrophobicContact CG-CD1 4.26Å; K991-F1312 HydrophobicContact CG-CD2 4.11Å; K991-F1312 HydrophobicContact CG-CG 3.96Å
992I91.2Very high89.9Confident62 Ų6238.6 Ų38.632%0.31819%0.191SC..Hα-helixtrans-71.6-47.1-175.9-54.9174.5000109.8E951 T955 Q990 V994 S995 H996E951-I992 HydrophobicContact CG-CB 4.07Å; E951-I992 HydrophobicContact CG-CD1 4.26Å; E951-I992 HydrophobicContact CG-CG1 4.46Å; E951-I992 VanDerWaalsContact OE1-CB 3.27Å; E951-I992 WeakPolarHBondContact OE1-CB 3.45Å; E951-I992 VanDerWaalsContact OE1-CG1 3.3Å; E951-I992 WeakPolarHBondContact OE1-CG1 3.37Å; E951-I992 PolarHBondContact OE1-N 3.15Å; T955-I992 HydrophobicContact CG2-CG2 3.95Å; Q990-I992 VanDerWaalsContact C-N 3.34Å; Q990-I992 PolarHBondContact O-N 3.45Å; I992-V994 PolarHBondContact O-N 3.45Å; I992-S995 PolarHBondContact O-N 3.35Å; I992-S995 VanDerWaalsContact O-N 3.11Å; I992-S995 PolarHBondContact O-OG 3.19Å; I992-H996 PolarHBondContact O-N 3.35Å
993V91.1Very high90Very high0 Ų038.1 Ų38.10%019%0.188CC..Hα-helixtrans-58.2-46.4178.6-169.60000111.6E951 A954 T955 L958 L985 Q990 S995 H996E951-V993 HydrophobicContact CG-CG2 3.96Å; A954-V993 HydrophobicContact CB-CG2 4Å; T955-V993 HydrophobicContact CG2-CB 4.16Å; T955-V993 HydrophobicContact CG2-CG2 3.78Å; L958-V993 HydrophobicContact CD2-CG1 3.67Å; L985-V993 HydrophobicContact CD1-CG1 4.24Å; L985-V993 HydrophobicContact CD2-CB 4.18Å; L985-V993 HydrophobicContact CD2-CG1 3.77Å; Q990-V993 HydrophobicContact CB-CB 4.08Å; Q990-V993 HydrophobicContact CB-CG2 3.95Å; Q990-V993 PolarHBondContact O-N 2.9Å; V993-S995 VanDerWaalsContact C-N 3.29Å; V993-S995 PolarHBondContact O-N 2.88Å; V993-H996 VanDerWaalsContact O-CB 3.25Å; V993-H996 WeakPolarHBondContact O-CB 3.36Å; V993-H996 PolarHBondContact O-N 3.47Å
994V92.3Very high90.1Very high0 Ų039.1 Ų39.10%020%0.195CC..Hα-helixtrans-68.1-30.5179174.80000112L985 Q990 I992 H996 Q1000 L1003 F1312 A1315L985-V994 HydrophobicContact CB-CG2 3.74Å; L985-V994 HydrophobicContact CD1-CG2 4.47Å; Q990-V994 WeakPolarHBondContact O-CB 3.47Å; Q990-V994 VanDerWaalsContact O-CG2 3.29Å; Q990-V994 WeakPolarHBondContact O-CG2 3.4Å; Q990-V994 PolarHBondContact O-N 2.84Å; I992-V994 PolarHBondContact O-N 3.45Å; V994-H996 PolarHBondContact O-N 3.48Å; V994-Q1000 PolarHBondContact O-NE2 3.44Å; V994-L1003 HydrophobicContact CG1-CD1 4.22Å; V994-F1312 HydrophobicContact CB-CD2 4.12Å; V994-F1312 HydrophobicContact CG1-CD2 4.24Å; V994-F1312 HydrophobicContact CG2-CD2 4.29Å; V994-F1312 HydrophobicContact CG2-CE2 4.46Å; V994-A1315 HydrophobicContact CG1-CB 3.39Å
995S91.9Very high90.1Very high17 Ų1743.7 Ų43.712%0.11922%0.217CC..Hα-helixtrans-75.3-10.5177.976.60000114.2K991 I992 V993K991-S995 VanDerWaalsContact O-CB 3.28Å; K991-S995 WeakPolarHBondContact O-CB 3.33Å; K991-S995 PolarHBondContact O-N 3Å; K991-S995 VanDerWaalsContact O-N 3.08Å; K991-S995 PolarHBondContact O-OG 3.03Å; I992-S995 PolarHBondContact O-N 3.35Å; I992-S995 VanDerWaalsContact O-N 3.11Å; I992-S995 PolarHBondContact O-OG 3.19Å; V993-S995 VanDerWaalsContact C-N 3.29Å; V993-S995 PolarHBondContact O-N 2.88Å
996H90.7Very high89.8Confident46 Ų4645.2 Ų45.221%0.21323%0.226CC..SBendtrans-58.3139-179.8-171.9-92.8000111.5I992 V993 V994 S998 V999 Q1000I992-H996 PolarHBondContact O-N 3.35Å; V993-H996 VanDerWaalsContact O-CB 3.25Å; V993-H996 WeakPolarHBondContact O-CB 3.36Å; V993-H996 PolarHBondContact O-N 3.47Å; V994-H996 PolarHBondContact O-N 3.48Å; H996-S998 VanDerWaalsContact C-N 3.29Å; H996-S998 PolarHBondContact CE1-OG 2.86Å; H996-S998 VanDerWaalsContact CE1-OG 3.25Å; H996-S998 PolarHBondContact ND1-N 2.87Å; H996-S998 PolarHBondContact ND1-OG 3.4Å; H996-S998 PolarHBondContact O-N 3.33Å; H996-S998 VanDerWaalsContact O-N 3.16Å; H996-V999 HydrophobicContact CB-CG2 4.34Å; H996-V999 PolarHBondContact O-N 3.36Å; H996-Q1000 PolarHBondContact O-N 3.35Å
997P90.9Very high89.7Confident97 Ų9746.1 Ų46.163%0.6323%0.229SC*.Hα-helixtrans-53.3-39.7-175.5-29.636000114.6V999 Q1000 R1001P997-V999 PolarHBondContact O-N 3.13Å; P997-Q1000 PolarHBondContact O-N 3.33Å; P997-R1001 WeakPolarHBondContact O-CB 3.42Å; P997-R1001 PolarHBondContact O-N 2.67Å
998S89.1Confident89.6Confident30 Ų3043.6 Ų43.621%0.2122%0.219CC..Hα-helixtrans-63.3-40178.5-47.10000112.5H996 Y1002H996-S998 VanDerWaalsContact C-N 3.29Å; H996-S998 PolarHBondContact CE1-OG 2.86Å; H996-S998 VanDerWaalsContact CE1-OG 3.25Å; H996-S998 PolarHBondContact ND1-N 2.87Å; H996-S998 PolarHBondContact ND1-OG 3.4Å; H996-S998 PolarHBondContact O-N 3.33Å; H996-S998 VanDerWaalsContact O-N 3.16Å; S998-Y1002 PolarHBondContact O-N 3.04Å; S998-Y1002 VanDerWaalsContact O-N 3.15Å
999V90.8Very high89Confident1 Ų143.2 Ų43.21%0.00622%0.223CC..Hα-helixtrans-71.9-42.5177.5-175.40000110.2L958 L971 I982 H996 P997 R1001 Y1002 L1003L958-V999 HydrophobicContact CD2-CG2 3.37Å; L958-V999 HydrophobicContact CG-CG2 4.44Å; L971-V999 HydrophobicContact CD1-CB 4.36Å; L971-V999 HydrophobicContact CD1-CG1 4.08Å; L971-V999 HydrophobicContact CD1-CG2 4.25Å; L971-V999 HydrophobicContact CD2-CG1 4.32Å; L971-V999 HydrophobicContact CD2-CG2 4.27Å; I982-V999 HydrophobicContact CD1-CG1 3.78Å; H996-V999 HydrophobicContact CB-CG2 4.34Å; H996-V999 PolarHBondContact O-N 3.36Å; P997-V999 PolarHBondContact O-N 3.13Å; V999-R1001 VanDerWaalsContact C-N 3.28Å; V999-R1001 PolarHBondContact O-N 2.78Å; V999-Y1002 PolarHBondContact O-N 3.44Å; V999-L1003 HydrophobicContact CG1-CD1 4.04Å; V999-L1003 HydrophobicContact CG1-CG 4.38Å; V999-L1003 WeakPolarHBondContact O-CB 3.39Å; V999-L1003 WeakPolarHBondContact O-CG 3.37Å; V999-L1003 PolarHBondContact O-N 3.3Å
1000Q92.5Very high88.5Confident18 Ų1841.9 Ų41.98%0.08423%0.232CC..Hα-helixtrans-64.5-32.4176.6-71.2-63.1-45.500112.8V994 H996 P997 T1004 K1311V994-Q1000 PolarHBondContact O-NE2 3.44Å; H996-Q1000 PolarHBondContact O-N 3.35Å; P997-Q1000 PolarHBondContact O-N 3.33Å; Q1000-T1004 WeakPolarHBondContact O-CB 3.3Å; Q1000-T1004 PolarHBondContact O-N 3.06Å; Q1000-T1004 PolarHBondContact O-OG1 2.88Å; Q1000-K1311 PolarHBondContact NE2-O 2.8Å
1001R88.6Confident87.9Confident176 Ų17642.7 Ų42.766%0.66424%0.236SC*.Hα-helixtrans-65.1-50.5172.4-175.6176.9177.4164.22110.9P997 V999 L1003 T1004 E1005P997-R1001 WeakPolarHBondContact O-CB 3.42Å; P997-R1001 PolarHBondContact O-N 2.67Å; V999-R1001 VanDerWaalsContact C-N 3.28Å; V999-R1001 PolarHBondContact O-N 2.78Å; R1001-L1003 PolarHBondContact O-N 3.21Å; R1001-T1004 WeakPolarHBondContact O-CA 3.15Å; R1001-T1004 WeakPolarHBondContact O-CB 3.4Å; R1001-T1004 PolarHBondContact O-N 3.23Å; R1001-E1005 IonicContact NE-OE1 3.62Å; R1001-E1005 PolarHBondContact O-N 3.35Å
1002Y88.8Confident87.4Confident14 Ų1446.1 Ų46.16%0.05526%0.263CS..Hα-helixtrans-57.9-46174.6171.2-103000112A968 L971 K972 S998 V999 T1004 E1005 V1006A968-Y1002 HydrophobicContact CB-CD2 3.6Å; A968-Y1002 HydrophobicContact CB-CE2 3.6Å; L971-Y1002 HydrophobicContact CB-CD1 3.93Å; L971-Y1002 HydrophobicContact CB-CE1 3.8Å; L971-Y1002 HydrophobicContact CD1-CD1 3.38Å; L971-Y1002 HydrophobicContact CD1-CE1 4.14Å; L971-Y1002 HydrophobicContact CD1-CG 3.63Å; L971-Y1002 HydrophobicContact CG-CD1 4.3Å; K972-Y1002 HydrophobicContact CG-CE2 4.47Å; K972-Y1002 WeakPolarHBondContact CG-OH 3.34Å; S998-Y1002 PolarHBondContact O-N 3.04Å; S998-Y1002 VanDerWaalsContact O-N 3.15Å; V999-Y1002 PolarHBondContact O-N 3.44Å; Y1002-T1004 PolarHBondContact O-N 3.38Å; Y1002-E1005 WeakPolarHBondContact O-CA 3.38Å; Y1002-E1005 WeakPolarHBondContact O-CB 3.48Å; Y1002-E1005 PolarHBondContact O-N 2.91Å; Y1002-V1006 HydrophobicContact CD1-CG2 4.13Å; Y1002-V1006 HydrophobicContact CD2-CG2 4.32Å; Y1002-V1006 HydrophobicContact CE1-CG2 3.62Å; Y1002-V1006 HydrophobicContact CE2-CG2 3.83Å; Y1002-V1006 HydrophobicContact CG-CG2 4.47Å; Y1002-V1006 VanDerWaalsContact CZ-CG2 3.45Å; Y1002-V1006 WeakPolarHBondContact O-CG2 3.48Å; Y1002-V1006 PolarHBondContact O-N 3.37Å
1003L89.5Confident86.9Confident6 Ų648.1 Ų48.13%0.03127%0.266CS..Hα-helixtrans-60.6-31.8176-75.3170.1000112.5I982 V994 V999 R1001 W1007 A1315 I1318I982-L1003 HydrophobicContact CD1-CD2 4.31Å; I982-L1003 HydrophobicContact CG1-CD2 4.24Å; V994-L1003 HydrophobicContact CG1-CD1 4.22Å; V999-L1003 HydrophobicContact CG1-CD1 4.04Å; V999-L1003 HydrophobicContact CG1-CG 4.38Å; V999-L1003 WeakPolarHBondContact O-CB 3.39Å; V999-L1003 WeakPolarHBondContact O-CG 3.37Å; V999-L1003 PolarHBondContact O-N 3.3Å; R1001-L1003 PolarHBondContact O-N 3.21Å; L1003-W1007 WeakPolarHBondContact O-CB 3.46Å; L1003-W1007 PolarHBondContact O-N 3.03Å; L1003-A1315 HydrophobicContact CD1-CB 3.48Å; L1003-A1315 VanDerWaalsContact CD1-CB 3.48Å; L1003-A1315 HydrophobicContact CD2-CB 4.42Å; L1003-I1318 HydrophobicContact CB-CD1 3.93Å; L1003-I1318 HydrophobicContact CD2-CD1 4.47Å; L1003-I1318 HydrophobicContact CD2-CG2 4.38Å
1004T89.2Confident86.4Confident48 Ų4851.1 Ų51.129%0.29429%0.287SS..Hα-helixtrans-71.5-37.1174.4-54.60000111.5Q1000 R1001 Y1002 W1007 N1008 R1314Q1000-T1004 WeakPolarHBondContact O-CB 3.3Å; Q1000-T1004 PolarHBondContact O-N 3.06Å; Q1000-T1004 PolarHBondContact O-OG1 2.88Å; R1001-T1004 WeakPolarHBondContact O-CA 3.15Å; R1001-T1004 WeakPolarHBondContact O-CB 3.4Å; R1001-T1004 PolarHBondContact O-N 3.23Å; Y1002-T1004 PolarHBondContact O-N 3.38Å; T1004-W1007 PolarHBondContact O-N 3.14Å; T1004-N1008 VanDerWaalsContact O-CG 3.31Å; T1004-N1008 PolarHBondContact O-N 3.1Å; T1004-N1008 PolarHBondContact O-ND2 2.89Å; T1004-R1314 PolarHBondContact OG1-NH1 2.89Å; T1004-R1314 PolarHBondContact OG1-NH2 2.89Å
1005E86.5Confident85.9Confident96 Ų9656.2 Ų56.245%0.44932%0.323SS..Hα-helixtrans-64.9-42.3172.1-68171.2-170.500111.4R1001 Y1002 N1008 G1009R1001-E1005 IonicContact NE-OE1 3.62Å; R1001-E1005 PolarHBondContact O-N 3.35Å; Y1002-E1005 WeakPolarHBondContact O-CA 3.38Å; Y1002-E1005 WeakPolarHBondContact O-CB 3.48Å; Y1002-E1005 PolarHBondContact O-N 2.91Å; E1005-N1008 PolarHBondContact O-N 2.67Å; E1005-G1009 PolarHBondContact O-N 2.68Å; E1005-G1009 VanDerWaalsContact O-N 3.11Å
1006V85.5Confident85.7Confident33 Ų3363.8 Ų63.820%0.235%0.349CS..Hα-helixtrans-62.5-44.2173.7174.70000111Y1002 N1008 G1009 P1047 I1318Y1002-V1006 HydrophobicContact CD1-CG2 4.13Å; Y1002-V1006 HydrophobicContact CD2-CG2 4.32Å; Y1002-V1006 HydrophobicContact CE1-CG2 3.62Å; Y1002-V1006 HydrophobicContact CE2-CG2 3.83Å; Y1002-V1006 HydrophobicContact CG-CG2 4.47Å; Y1002-V1006 VanDerWaalsContact CZ-CG2 3.45Å; Y1002-V1006 WeakPolarHBondContact O-CG2 3.48Å; Y1002-V1006 PolarHBondContact O-N 3.37Å; V1006-N1008 VanDerWaalsContact C-N 3.3Å; V1006-N1008 PolarHBondContact O-N 3.24Å; V1006-G1009 PolarHBondContact O-N 3.38Å; V1006-G1009 VanDerWaalsContact O-N 3.07Å; V1006-P1047 VanDerWaalsContact O-CD 3.25Å; V1006-P1047 WeakPolarHBondContact O-CD 3.41Å; V1006-P1047 WeakPolarHBondContact O-CG 3.01Å; V1006-I1318 HydrophobicContact CB-CG2 4.46Å; V1006-I1318 HydrophobicContact CG1-CG2 3.91Å
1007W88Confident85.5Confident24 Ų2467.7 Ų67.79%0.09137%0.366CS..Hα-helixtrans-57.8-42.5177176.8-103.9000112.5L1003 T1004 G1009 P1047 V1048 F1051 V1180 I1318 M1321L1003-W1007 WeakPolarHBondContact O-CB 3.46Å; L1003-W1007 PolarHBondContact O-N 3.03Å; T1004-W1007 PolarHBondContact O-N 3.14Å; W1007-G1009 VanDerWaalsContact C-N 3.29Å; W1007-G1009 PolarHBondContact O-N 2.83Å; W1007-P1047 HydrophobicContact CE3-CB 3.78Å; W1007-P1047 HydrophobicContact CZ3-CB 4.19Å; W1007-P1047 WeakPolarHBondContact O-CD 3.2Å; W1007-V1048 HydrophobicContact CD2-CB 4.35Å; W1007-V1048 HydrophobicContact CZ2-CB 4.3Å; W1007-V1048 HydrophobicContact CZ2-CG2 4.07Å; W1007-V1048 WeakPolarHBondContact O-CB 3.39Å; W1007-V1048 PolarHBondContact O-N 2.67Å; W1007-V1048 VanDerWaalsContact O-N 3.09Å; W1007-F1051 HydrophobicContact CH2-CB 3.54Å; W1007-F1051 HydrophobicContact CH2-CD1 4.02Å; W1007-F1051 AromaticContact CH2-CD2 3.8Å; W1007-F1051 HydrophobicContact CH2-CD2 3.8Å; W1007-F1051 AromaticContact CH2-CG 3.51Å; W1007-F1051 HydrophobicContact CH2-CG 3.51Å; W1007-F1051 HydrophobicContact CZ2-CB 4.11Å; W1007-F1051 HydrophobicContact CZ2-CD1 4.06Å; W1007-F1051 HydrophobicContact CZ2-CG 4.02Å; W1007-F1051 HydrophobicContact CZ3-CB 4.29Å; W1007-V1180 HydrophobicContact CH2-CG1 4.27Å; W1007-V1180 HydrophobicContact CH2-CG2 4.19Å; W1007-V1180 HydrophobicContact CZ2-CG1 3.83Å; W1007-V1180 HydrophobicContact CZ2-CG2 4.47Å; W1007-I1318 HydrophobicContact CB-CD1 4.3Å; W1007-I1318 HydrophobicContact CB-CG1 4.37Å; W1007-I1318 HydrophobicContact CD2-CG1 4.39Å; W1007-I1318 HydrophobicContact CE3-CB 4.5Å; W1007-I1318 HydrophobicContact CE3-CG1 3.69Å; W1007-I1318 HydrophobicContact CZ3-CG1 4.32Å; W1007-M1321 HydrophobicContact CZ3-CB 4.39Å; W1007-M1321 HydrophobicContact CZ3-CG 4.28Å
1008N85.1Confident85.2Confident56 Ų5664.6 Ų64.630%0.29934%0.344SS..Hα-helixtrans-73.3-19.7178.5-68.5-16.4000112.8T1004 E1005 V1006 G1010 I1011T1004-N1008 VanDerWaalsContact O-CG 3.31Å; T1004-N1008 PolarHBondContact O-N 3.1Å; T1004-N1008 PolarHBondContact O-ND2 2.89Å; E1005-N1008 PolarHBondContact O-N 2.67Å; V1006-N1008 VanDerWaalsContact C-N 3.3Å; V1006-N1008 PolarHBondContact O-N 3.24Å; N1008-G1010 VanDerWaalsContact C-N 3.27Å; N1008-G1010 PolarHBondContact O-N 3.16Å; N1008-I1011 WeakPolarHBondContact O-CB 3.32Å; N1008-I1011 WeakPolarHBondContact O-CG1 3.47Å; N1008-I1011 PolarHBondContact O-N 3.43Å
1009G76.6Confident85.1Confident21 Ų2166 Ų6622%0.21635%0.351CS..THydrogen-bonded Turntrans57.336.7176.900000113.8E1005 V1006 W1007 I1011E1005-G1009 PolarHBondContact O-N 2.68Å; E1005-G1009 VanDerWaalsContact O-N 3.11Å; V1006-G1009 PolarHBondContact O-N 3.38Å; V1006-G1009 VanDerWaalsContact O-N 3.07Å; W1007-G1009 VanDerWaalsContact C-N 3.29Å; W1007-G1009 PolarHBondContact O-N 2.83Å; G1009-I1011 PolarHBondContact O-N 2.89Å
1010G77.2Confident84.9Confident68 Ų6870.2 Ų70.270%0.70137%0.372SS*.THydrogen-bonded Turntrans78.5-1.2-175.900000115.3N1008 T1012N1008-G1010 VanDerWaalsContact C-N 3.27Å; N1008-G1010 PolarHBondContact O-N 3.16Å; G1010-T1012 PolarHBondContact O-N 3.41Å
1011I79.4Confident84.7Confident17 Ų1770.1 Ų70.19%0.08737%0.371CS..  trans-76.7109.6175.9-57.3173.5000109.1N1008 G1009 W1013 I1043 A1046 V1048 I1049N1008-I1011 WeakPolarHBondContact O-CB 3.32Å; N1008-I1011 WeakPolarHBondContact O-CG1 3.47Å; N1008-I1011 PolarHBondContact O-N 3.43Å; G1009-I1011 PolarHBondContact O-N 2.89Å; I1011-W1013 HydrophobicContact CG2-CB 3.7Å; I1011-W1013 HydrophobicContact CG2-CD2 3.44Å; I1011-W1013 VanDerWaalsContact CG2-CD2 3.44Å; I1011-W1013 HydrophobicContact CG2-CE3 3.94Å; I1011-W1013 HydrophobicContact CG2-CG 3.32Å; I1011-W1013 PolarHBondContact O-N 3.48Å; I1011-I1043 HydrophobicContact CD1-CG2 4.29Å; I1011-A1046 HydrophobicContact CD1-CB 3.58Å; I1011-A1046 HydrophobicContact CG1-CB 4.26Å; I1011-V1048 HydrophobicContact CD1-CG1 4.36Å; I1011-I1049 HydrophobicContact CD1-CD1 3.9Å; I1011-I1049 HydrophobicContact CD1-CG1 3.58Å
1012T79.7Confident84.7Confident139 Ų13963.6 Ų63.685%0.85335%0.348SS*.  trans-8924.4177.553.50000113.1G1010G1010-T1012 PolarHBondContact O-N 3.41Å
1013W81.2Confident84.7Confident103 Ų10367.8 Ų67.839%0.3937%0.366SS..  trans-67.7141.5179.2-670.3000110.8I1011 K1017 F1021I1011-W1013 HydrophobicContact CG2-CB 3.7Å; I1011-W1013 HydrophobicContact CG2-CD2 3.44Å; I1011-W1013 VanDerWaalsContact CG2-CD2 3.44Å; I1011-W1013 HydrophobicContact CG2-CE3 3.94Å; I1011-W1013 HydrophobicContact CG2-CG 3.32Å; I1011-W1013 PolarHBondContact O-N 3.48Å; W1013-K1017 HydrophobicContact CB-CB 4.01Å; W1013-K1017 HydrophobicContact CG-CB 4.43Å; W1013-F1021 HydrophobicContact CE3-CB 4.42Å; W1013-F1021 HydrophobicContact CH2-CD2 4.14Å; W1013-F1021 HydrophobicContact CZ3-CB 3.78Å; W1013-F1021 AromaticContact CZ3-CD2 3.87Å; W1013-F1021 HydrophobicContact CZ3-CD2 3.87Å; W1013-F1021 AromaticContact CZ3-CG 3.81Å; W1013-F1021 HydrophobicContact CZ3-CG 3.81Å
1014S81.4Confident84.7Confident63 Ų6372.2 Ų72.244%0.44139%0.39SS..  trans-63.8151.9170.557.20000110.3W1016 K1017 L1018S1014-W1016 PolarHBondContact O-N 3.5Å; S1014-K1017 WeakPolarHBondContact O-CB 3.43Å; S1014-K1017 PolarHBondContact O-N 3.36Å; S1014-K1017 WeakPolarHBondContact OG-CG 3.4Å; S1014-L1018 PolarHBondContact O-N 3.44Å; S1014-L1018 VanDerWaalsContact O-N 3.16Å
1015S82.4Confident84.6Confident108 Ų10870 Ų7076%0.75538%0.376SS*.Hα-helixtrans-51.4-36-178.3-49.10000112.8L1018 T1019S1015-L1018 PolarHBondContact O-N 3.08Å; S1015-T1019 PolarHBondContact O-N 3.1Å; S1015-T1019 PolarHBondContact O-OG1 3.46Å
1016W86.1Confident84.8Confident175 Ų17567.4 Ų67.466%0.66337%0.365SS*.Hα-helixtrans-65.7-40.6175.4-176.1-104000113.7S1014 L1018 T1019 M1020S1014-W1016 PolarHBondContact O-N 3.5Å; W1016-L1018 VanDerWaalsContact C-N 3.29Å; W1016-L1018 PolarHBondContact O-N 3.38Å; W1016-T1019 VanDerWaalsContact CA-OG1 3.23Å; W1016-T1019 WeakPolarHBondContact CA-OG1 3.44Å; W1016-T1019 PolarHBondContact O-N 3.38Å; W1016-T1019 PolarHBondContact O-OG1 3.28Å; W1016-T1019 VanDerWaalsContact O-OG1 3.05Å; W1016-M1020 HydrophobicContact CH2-CE 3.82Å; W1016-M1020 HydrophobicContact CZ2-CE 3.28Å; W1016-M1020 WeakPolarHBondContact O-CB 3.31Å; W1016-M1020 VanDerWaalsContact O-CG 3.32Å; W1016-M1020 WeakPolarHBondContact O-CG 3.46Å; W1016-M1020 PolarHBondContact O-N 2.94Å
1017K88.2Confident84.9Confident128 Ų12871.5 Ų71.556%0.55739%0.39SS*.Hα-helixtrans-65.7-36.4176.6-74.1178.9-178-1780111.2W1013 S1014 M1020 F1021W1013-K1017 HydrophobicContact CB-CB 4.01Å; W1013-K1017 HydrophobicContact CG-CB 4.43Å; S1014-K1017 WeakPolarHBondContact O-CB 3.43Å; S1014-K1017 PolarHBondContact O-N 3.36Å; S1014-K1017 WeakPolarHBondContact OG-CG 3.4Å; K1017-M1020 PolarHBondContact O-N 2.93Å; K1017-F1021 PolarHBondContact O-N 3.35Å
1018L84.7Confident85Confident32 Ų3272.9 Ų72.917%0.16840%0.402CS..Hα-helixtrans-71.9-36.1179.1-146.3144000111.8S1014 S1015 W1016 F1021 F1022 V1048S1014-L1018 PolarHBondContact O-N 3.44Å; S1014-L1018 VanDerWaalsContact O-N 3.16Å; S1015-L1018 PolarHBondContact O-N 3.08Å; W1016-L1018 VanDerWaalsContact C-N 3.29Å; W1016-L1018 PolarHBondContact O-N 3.38Å; L1018-F1021 PolarHBondContact O-N 3.15Å; L1018-F1022 PolarHBondContact O-N 2.65Å; L1018-V1048 HydrophobicContact CD1-CG1 4.06Å; L1018-V1048 HydrophobicContact CD1-CG2 4.1Å; L1018-V1048 HydrophobicContact CD2-CG2 3.46Å; L1018-V1048 VanDerWaalsContact CD2-CG2 3.46Å; L1018-V1048 HydrophobicContact CG-CG2 4.39Å
1019T85Confident84.9Confident60 Ų6073.3 Ų73.337%0.36841%0.408SS..Hα-helixtrans-65.8-42.2169.417.50000111.7S1015 W1016 F1021 F1022 F1023S1015-T1019 PolarHBondContact O-N 3.1Å; S1015-T1019 PolarHBondContact O-OG1 3.46Å; W1016-T1019 VanDerWaalsContact CA-OG1 3.23Å; W1016-T1019 WeakPolarHBondContact CA-OG1 3.44Å; W1016-T1019 PolarHBondContact O-N 3.38Å; W1016-T1019 PolarHBondContact O-OG1 3.28Å; W1016-T1019 VanDerWaalsContact O-OG1 3.05Å; T1019-F1021 VanDerWaalsContact C-N 3.31Å; T1019-F1021 PolarHBondContact O-N 2.86Å; T1019-F1022 WeakPolarHBondContact O-CB 3.46Å; T1019-F1022 PolarHBondContact O-N 3.15Å; T1019-F1023 WeakPolarHBondContact O-CD2 3.45Å; T1019-F1023 PolarHBondContact O-N 3.37Å
1020M88.4Confident85.4Confident90 Ų9076.9 Ų76.944%0.44343%0.428SS..Hα-helixtrans-60.3-40.1173.4-76.3-73.8133.600112.4W1016 K1017 F1023 L1024W1016-M1020 HydrophobicContact CH2-CE 3.82Å; W1016-M1020 HydrophobicContact CZ2-CE 3.28Å; W1016-M1020 WeakPolarHBondContact O-CB 3.31Å; W1016-M1020 VanDerWaalsContact O-CG 3.32Å; W1016-M1020 WeakPolarHBondContact O-CG 3.46Å; W1016-M1020 PolarHBondContact O-N 2.94Å; K1017-M1020 PolarHBondContact O-N 2.93Å; M1020-F1023 PolarHBondContact O-N 3.36Å; M1020-L1024 WeakPolarHBondContact O-CB 3.23Å; M1020-L1024 PolarHBondContact O-N 3.23Å
1021F87.5Confident85.9Confident16 Ų1674.4 Ų74.47%0.0740%0.401CS..Hα-helixtrans-61.9-45.6173.4173.9-95.6000111.8W1013 K1017 L1018 T1019 F1023 L1024 V1025 F1035 I1049W1013-F1021 HydrophobicContact CE3-CB 4.42Å; W1013-F1021 HydrophobicContact CH2-CD2 4.14Å; W1013-F1021 HydrophobicContact CZ3-CB 3.78Å; W1013-F1021 AromaticContact CZ3-CD2 3.87Å; W1013-F1021 HydrophobicContact CZ3-CD2 3.87Å; W1013-F1021 AromaticContact CZ3-CG 3.81Å; W1013-F1021 HydrophobicContact CZ3-CG 3.81Å; K1017-F1021 PolarHBondContact O-N 3.35Å; L1018-F1021 PolarHBondContact O-N 3.15Å; T1019-F1021 VanDerWaalsContact C-N 3.31Å; T1019-F1021 PolarHBondContact O-N 2.86Å; F1021-F1023 VanDerWaalsContact C-N 3.31Å; F1021-F1023 PolarHBondContact O-N 3.28Å; F1021-L1024 WeakPolarHBondContact O-CB 3.47Å; F1021-L1024 PolarHBondContact O-N 3.09Å; F1021-L1024 VanDerWaalsContact O-N 3.15Å; F1021-V1025 HydrophobicContact CD1-CG2 4.11Å; F1021-V1025 HydrophobicContact CD2-CG2 4.22Å; F1021-V1025 HydrophobicContact CE1-CG2 3.61Å; F1021-V1025 HydrophobicContact CE2-CG2 3.76Å; F1021-V1025 HydrophobicContact CG-CG2 4.39Å; F1021-V1025 HydrophobicContact CZ-CG2 3.44Å; F1021-V1025 VanDerWaalsContact CZ-CG2 3.44Å; F1021-V1025 WeakPolarHBondContact O-CG2 3.4Å; F1021-V1025 PolarHBondContact O-N 2.63Å; F1021-F1035 HydrophobicContact CE2-CD1 4.46Å; F1021-F1035 AromaticContact CE2-CD2 3.97Å; F1021-F1035 HydrophobicContact CE2-CD2 3.97Å; F1021-F1035 HydrophobicContact CE2-CE1 4.22Å; F1021-F1035 AromaticContact CE2-CE2 3.72Å; F1021-F1035 HydrophobicContact CE2-CE2 3.72Å; F1021-F1035 HydrophobicContact CE2-CG 4.37Å; F1021-F1035 AromaticContact CE2-CZ 3.86Å; F1021-F1035 HydrophobicContact CE2-CZ 3.86Å; F1021-F1035 HydrophobicContact CZ-CD1 4.3Å; F1021-F1035 AromaticContact CZ-CD2 3.96Å; F1021-F1035 HydrophobicContact CZ-CD2 3.96Å; F1021-F1035 HydrophobicContact CZ-CE1 4.49Å; F1021-F1035 HydrophobicContact CZ-CE2 4.19Å; F1021-F1035 HydrophobicContact CZ-CG 4.04Å; F1021-F1035 HydrophobicContact CZ-CZ 4.45Å; F1021-I1049 HydrophobicContact CD1-CD1 3.77Å; F1021-I1049 HydrophobicContact CE1-CD1 3.39Å; F1021-I1049 HydrophobicContact CE1-CG2 4.04Å; F1021-I1049 HydrophobicContact CZ-CD1 3.9Å; F1021-I1049 HydrophobicContact CZ-CG2 4.04Å
1022F87.7Confident86.3Confident38 Ų3874.2 Ų74.217%0.16740%0.399CS..Hα-helixtrans-56.8-45.2174.9169.2-98.4000111.8L1018 T1019 L1024 V1025 L1026 L1055 V1056 I1059L1018-F1022 PolarHBondContact O-N 2.65Å; T1019-F1022 WeakPolarHBondContact O-CB 3.46Å; T1019-F1022 PolarHBondContact O-N 3.15Å; F1022-L1024 PolarHBondContact O-N 3.27Å; F1022-V1025 PolarHBondContact O-N 3.29Å; F1022-L1026 HydrophobicContact CE1-CD2 4.2Å; F1022-L1026 HydrophobicContact CZ-CD2 4.37Å; F1022-L1026 WeakPolarHBondContact O-CB 3.38Å; F1022-L1026 PolarHBondContact O-N 2.71Å; F1022-L1055 HydrophobicContact CD2-CD2 4.36Å; F1022-L1055 HydrophobicContact CE2-CB 4.28Å; F1022-L1055 HydrophobicContact CE2-CD2 3.53Å; F1022-L1055 HydrophobicContact CE2-CG 3.79Å; F1022-L1055 HydrophobicContact CZ-CD2 3.87Å; F1022-L1055 HydrophobicContact CZ-CG 4.19Å; F1022-V1056 HydrophobicContact CD2-CG2 3.87Å; F1022-V1056 HydrophobicContact CE2-CG2 3.54Å; F1022-V1056 HydrophobicContact CZ-CG2 4.34Å; F1022-I1059 HydrophobicContact CE2-CD1 4.28Å; F1022-I1059 HydrophobicContact CZ-CD1 3.65Å
1023F89.2Confident86.7Confident102 Ų10271.5 Ų71.545%0.44738%0.376SS..Hα-helixtrans-65.2-37.1176.3-74-64.7000112.8T1019 M1020 F1021 L1026 V1027T1019-F1023 WeakPolarHBondContact O-CD2 3.45Å; T1019-F1023 PolarHBondContact O-N 3.37Å; M1020-F1023 PolarHBondContact O-N 3.36Å; F1021-F1023 VanDerWaalsContact C-N 3.31Å; F1021-F1023 PolarHBondContact O-N 3.28Å; F1023-L1026 HydrophobicContact CD1-CD2 4.5Å; F1023-L1026 PolarHBondContact O-N 3.07Å; F1023-V1027 WeakPolarHBondContact O-CB 3.31Å; F1023-V1027 VanDerWaalsContact O-CG2 3.31Å; F1023-V1027 WeakPolarHBondContact O-CG2 3.32Å; F1023-V1027 PolarHBondContact O-N 3.29Å
1024L89.9Confident86.9Confident100 Ų10071 Ų7152%0.52438%0.376SS..Hα-helixtrans-61.3-47.1174.1-178.9112.1000111.2M1020 F1021 F1022 L1026 C1028M1020-L1024 WeakPolarHBondContact O-CB 3.23Å; M1020-L1024 PolarHBondContact O-N 3.23Å; F1021-L1024 WeakPolarHBondContact O-CB 3.47Å; F1021-L1024 PolarHBondContact O-N 3.09Å; F1021-L1024 VanDerWaalsContact O-N 3.15Å; F1022-L1024 PolarHBondContact O-N 3.27Å; L1024-L1026 VanDerWaalsContact C-N 3.33Å; L1024-L1026 PolarHBondContact O-N 3.28Å; L1024-C1028 VanDerWaalsContact O-CB 3.28Å; L1024-C1028 WeakPolarHBondContact O-CB 3.44Å; L1024-C1028 PolarHBondContact O-N 2.93Å
1025V87.7Confident87Confident0 Ų069.9 Ų69.90%036%0.364CS..Hα-helixtrans-65.8-36.4178.3176.10000111.3F1021 F1022 W1032 F1035 V1056F1021-V1025 HydrophobicContact CD1-CG2 4.11Å; F1021-V1025 HydrophobicContact CD2-CG2 4.22Å; F1021-V1025 HydrophobicContact CE1-CG2 3.61Å; F1021-V1025 HydrophobicContact CE2-CG2 3.76Å; F1021-V1025 HydrophobicContact CG-CG2 4.39Å; F1021-V1025 HydrophobicContact CZ-CG2 3.44Å; F1021-V1025 VanDerWaalsContact CZ-CG2 3.44Å; F1021-V1025 WeakPolarHBondContact O-CG2 3.4Å; F1021-V1025 PolarHBondContact O-N 2.63Å; F1022-V1025 PolarHBondContact O-N 3.29Å; V1025-W1032 HydrophobicContact CG1-CB 3.66Å; V1025-W1032 HydrophobicContact CG1-CG 4.28Å; V1025-W1032 WeakPolarHBondContact O-CB 3.38Å; V1025-F1035 HydrophobicContact CG2-CD2 4.06Å; V1025-V1056 HydrophobicContact CB-CG2 4.46Å; V1025-V1056 HydrophobicContact CG1-CB 4.31Å; V1025-V1056 HydrophobicContact CG1-CG1 4.29Å; V1025-V1056 HydrophobicContact CG1-CG2 3.98Å
1026L89.5Confident87.1Confident42 Ų4264.8 Ų64.822%0.2233%0.328CS..Hα-helixtrans-69.4-46.717818063.2000113F1022 F1023 L1024 V1056 I1059F1022-L1026 HydrophobicContact CE1-CD2 4.2Å; F1022-L1026 HydrophobicContact CZ-CD2 4.37Å; F1022-L1026 WeakPolarHBondContact O-CB 3.38Å; F1022-L1026 PolarHBondContact O-N 2.71Å; F1023-L1026 HydrophobicContact CD1-CD2 4.5Å; F1023-L1026 PolarHBondContact O-N 3.07Å; L1024-L1026 VanDerWaalsContact C-N 3.33Å; L1024-L1026 PolarHBondContact O-N 3.28Å; L1026-V1056 HydrophobicContact CB-CG2 4.05Å; L1026-V1056 HydrophobicContact CD1-CG1 4.12Å; L1026-V1056 HydrophobicContact CD1-CG2 4.3Å; L1026-I1059 HydrophobicContact CD1-CB 4.09Å; L1026-I1059 HydrophobicContact CD1-CD1 4.16Å; L1026-I1059 HydrophobicContact CD1-CG2 3.69Å
1027V88.9Confident86.8Confident119 Ų11958.8 Ų58.872%0.72131%0.309SS*.Hα-helixtrans-76.6-26.7-175.8174.70000111.8F1023 P1029F1023-V1027 WeakPolarHBondContact O-CB 3.31Å; F1023-V1027 VanDerWaalsContact O-CG2 3.31Å; F1023-V1027 WeakPolarHBondContact O-CG2 3.32Å; F1023-V1027 PolarHBondContact O-N 3.29Å; V1027-P1029 VanDerWaalsContact O-CD 3.25Å; V1027-P1029 WeakPolarHBondContact O-CD 3.44Å
1028C88.2Confident85.9Confident53 Ų5355.9 Ų55.936%0.35830%0.302SS..  trans-112.789.7-179.4-169.50000110.7L1024 P1030 A1031 W1032L1024-C1028 VanDerWaalsContact O-CB 3.28Å; L1024-C1028 WeakPolarHBondContact O-CB 3.44Å; L1024-C1028 PolarHBondContact O-N 2.93Å; C1028-P1030 VanDerWaalsContact C-N 3.26Å; C1028-A1031 HydrophobicContact CB-CB 3.87Å; C1028-A1031 WeakPolarHBondContact O-CA 3.41Å; C1028-A1031 WeakPolarHBondContact O-CB 3.17Å; C1028-A1031 PolarHBondContact O-N 2.89Å; C1028-W1032 PolarHBondContact O-N 3.09Å; C1028-W1032 VanDerWaalsContact O-N 3.09Å
1029P84.1Confident85.2Confident65 Ų6557.5 Ų57.542%0.42231%0.311SS..Hα-helixtrans-52.2-35175.4-23.930.8000114.7V1027 A1031 W1032 F1033V1027-P1029 VanDerWaalsContact O-CD 3.25Å; V1027-P1029 WeakPolarHBondContact O-CD 3.44Å; P1029-A1031 VanDerWaalsContact C-N 3.33Å; P1029-A1031 PolarHBondContact O-N 2.94Å; P1029-W1032 WeakPolarHBondContact O-CB 3.33Å; P1029-W1032 PolarHBondContact O-N 2.93Å; P1029-F1033 PolarHBondContact O-N 3.33Å
1030P87.5Confident84.3Confident96 Ų9662.4 Ų62.462%0.62334%0.335SS*.Hα-helixtrans-61.7-37.7171.9-24.934.4000113.6C1028 F1033 F1034C1028-P1030 VanDerWaalsContact C-N 3.26Å; P1030-F1033 PolarHBondContact O-N 2.97Å; P1030-F1034 WeakPolarHBondContact O-CB 3.39Å; P1030-F1034 PolarHBondContact O-N 3.22Å
1031A86.5Confident83.4Confident17 Ų1764.8 Ų64.814%0.1434%0.34CS..Hα-helixtrans-66.8-42.9175.300000110.6C1028 P1029 F1033 F1034 F1035C1028-A1031 HydrophobicContact CB-CB 3.87Å; C1028-A1031 WeakPolarHBondContact O-CA 3.41Å; C1028-A1031 WeakPolarHBondContact O-CB 3.17Å; C1028-A1031 PolarHBondContact O-N 2.89Å; P1029-A1031 VanDerWaalsContact C-N 3.33Å; P1029-A1031 PolarHBondContact O-N 2.94Å; A1031-F1033 PolarHBondContact O-N 3.28Å; A1031-F1034 PolarHBondContact O-N 2.94Å; A1031-F1035 HydrophobicContact CB-CE2 4.49Å; A1031-F1035 WeakPolarHBondContact O-CD2 3.49Å; A1031-F1035 PolarHBondContact O-N 2.98Å
1032W89.1Confident82.5Confident12 Ų1272.8 Ų72.85%0.04537%0.37CS..Hα-helixtrans-56.6-47171166.475.5000112.6V1025 C1028 P1029 F1034 F1035 S1036 C1053 V1056 L1060 W1094 P1328 V1331V1025-W1032 HydrophobicContact CG1-CB 3.66Å; V1025-W1032 HydrophobicContact CG1-CG 4.28Å; V1025-W1032 WeakPolarHBondContact O-CB 3.38Å; C1028-W1032 PolarHBondContact O-N 3.09Å; C1028-W1032 VanDerWaalsContact O-N 3.09Å; P1029-W1032 WeakPolarHBondContact O-CB 3.33Å; P1029-W1032 PolarHBondContact O-N 2.93Å; W1032-F1034 VanDerWaalsContact C-N 3.33Å; W1032-F1034 PolarHBondContact O-N 2.96Å; W1032-F1035 PolarHBondContact O-N 3.41Å; W1032-S1036 WeakPolarHBondContact O-CB 3.46Å; W1032-S1036 PolarHBondContact O-N 3.48Å; W1032-S1036 PolarHBondContact O-OG 3.25Å; W1032-S1036 VanDerWaalsContact O-OG 3.11Å; W1032-C1053 PolarHBondContact NE1-O 2.99Å; W1032-C1053 VanDerWaalsContact NE1-O 3.14Å; W1032-V1056 HydrophobicContact CB-CG1 4.2Å; W1032-V1056 HydrophobicContact CG-CG1 3.87Å; W1032-L1060 HydrophobicContact CD2-CD1 3.98Å; W1032-L1060 HydrophobicContact CE3-CD1 3.91Å; W1032-L1060 HydrophobicContact CH2-CD1 4.38Å; W1032-L1060 HydrophobicContact CZ2-CD1 4.46Å; W1032-L1060 HydrophobicContact CZ3-CD1 4.12Å; W1032-W1094 AromaticContact CH2-CH2 3.68Å; W1032-W1094 HydrophobicContact CH2-CH2 3.68Å; W1032-W1094 AromaticContact CH2-CZ2 3.43Å; W1032-W1094 HydrophobicContact CH2-CZ2 3.43Å; W1032-W1094 VanDerWaalsContact CH2-CZ2 3.43Å; W1032-W1094 HydrophobicContact CZ2-CZ2 4.09Å; W1032-W1094 HydrophobicContact CZ3-CH2 4.03Å; W1032-W1094 HydrophobicContact CZ3-CZ2 4.12Å; W1032-P1328 HydrophobicContact CZ2-CG 3.99Å; W1032-V1331 HydrophobicContact CH2-CG2 3.95Å; W1032-V1331 HydrophobicContact CZ2-CG2 4.15Å
1033F86.8Confident82Confident83 Ų8374 Ų7436%0.36438%0.377SS..Hα-helixtrans-61-43.2177.6-168-97.2000111.6P1029 P1030 A1031 S1036 L1037 V1331 L1334P1029-F1033 PolarHBondContact O-N 3.33Å; P1030-F1033 PolarHBondContact O-N 2.97Å; A1031-F1033 PolarHBondContact O-N 3.28Å; F1033-S1036 VanDerWaalsContact C-OG 3.31Å; F1033-S1036 WeakPolarHBondContact CA-OG 3.4Å; F1033-S1036 PolarHBondContact O-N 3.32Å; F1033-S1036 PolarHBondContact O-OG 3.26Å; F1033-L1037 HydrophobicContact CD1-CD1 4Å; F1033-L1037 HydrophobicContact CE1-CD1 3.8Å; F1033-L1037 HydrophobicContact CE1-CG 4.37Å; F1033-L1037 PolarHBondContact O-N 2.83Å; F1033-V1331 HydrophobicContact CD2-CG2 3.85Å; F1033-V1331 HydrophobicContact CE2-CG1 4.23Å; F1033-V1331 HydrophobicContact CE2-CG2 3.92Å; F1033-L1334 HydrophobicContact CE2-CD1 4.19Å; F1033-L1334 HydrophobicContact CZ-CD1 4.06Å
1034F85.7Confident81.2Confident92 Ų9269.6 Ų69.640%0.40436%0.359SS..Hα-helixtrans-62.8-49.8178.1-178.5-97.9000113P1030 A1031 W1032 S1036 L1037 L1039 Y1041P1030-F1034 WeakPolarHBondContact O-CB 3.39Å; P1030-F1034 PolarHBondContact O-N 3.22Å; A1031-F1034 PolarHBondContact O-N 2.94Å; W1032-F1034 VanDerWaalsContact C-N 3.33Å; W1032-F1034 PolarHBondContact O-N 2.96Å; F1034-S1036 PolarHBondContact O-N 2.89Å; F1034-L1037 PolarHBondContact O-N 3.34Å; F1034-L1039 HydrophobicContact CD2-CD1 4Å; F1034-L1039 HydrophobicContact CE1-CD1 4.45Å; F1034-L1039 HydrophobicContact CE2-CD1 3.52Å; F1034-L1039 HydrophobicContact CZ-CD1 3.78Å; F1034-Y1041 HydrophobicContact CZ-CE2 4.05Å
1035F84.3Confident80.4Confident40 Ų4066.7 Ų66.718%0.17534%0.342CS..Hα-helixtrans-71.7-19.5178.1-69.7-66.5000112.7F1021 V1025 A1031 W1032 N1044F1021-F1035 HydrophobicContact CE2-CD1 4.46Å; F1021-F1035 AromaticContact CE2-CD2 3.97Å; F1021-F1035 HydrophobicContact CE2-CD2 3.97Å; F1021-F1035 HydrophobicContact CE2-CE1 4.22Å; F1021-F1035 AromaticContact CE2-CE2 3.72Å; F1021-F1035 HydrophobicContact CE2-CE2 3.72Å; F1021-F1035 HydrophobicContact CE2-CG 4.37Å; F1021-F1035 AromaticContact CE2-CZ 3.86Å; F1021-F1035 HydrophobicContact CE2-CZ 3.86Å; F1021-F1035 HydrophobicContact CZ-CD1 4.3Å; F1021-F1035 AromaticContact CZ-CD2 3.96Å; F1021-F1035 HydrophobicContact CZ-CD2 3.96Å; F1021-F1035 HydrophobicContact CZ-CE1 4.49Å; F1021-F1035 HydrophobicContact CZ-CE2 4.19Å; F1021-F1035 HydrophobicContact CZ-CG 4.04Å; F1021-F1035 HydrophobicContact CZ-CZ 4.45Å; V1025-F1035 HydrophobicContact CG2-CD2 4.06Å; A1031-F1035 HydrophobicContact CB-CE2 4.49Å; A1031-F1035 WeakPolarHBondContact O-CD2 3.49Å; A1031-F1035 PolarHBondContact O-N 2.98Å; W1032-F1035 PolarHBondContact O-N 3.41Å; F1035-N1044 PolarHBondContact O-ND2 3.37Å; F1035-N1044 PolarHBondContact O-OD1 3.31Å
1036S84Confident80.2Confident0 Ų066.8 Ų66.80%034%0.343CS..Hα-helixtrans-78.7-18.7174.971.10000114.7W1032 F1033 F1034 A1327 P1328W1032-S1036 WeakPolarHBondContact O-CB 3.46Å; W1032-S1036 PolarHBondContact O-N 3.48Å; W1032-S1036 PolarHBondContact O-OG 3.25Å; W1032-S1036 VanDerWaalsContact O-OG 3.11Å; F1033-S1036 VanDerWaalsContact C-OG 3.31Å; F1033-S1036 WeakPolarHBondContact CA-OG 3.4Å; F1033-S1036 PolarHBondContact O-N 3.32Å; F1033-S1036 PolarHBondContact O-OG 3.26Å; F1034-S1036 PolarHBondContact O-N 2.89Å; S1036-A1327 WeakPolarHBondContact O-CA 3.23Å; S1036-P1328 VanDerWaalsContact CB-CD 3.49Å
1037L79.6Confident80Confident50 Ų5064.9 Ų64.926%0.26233%0.333SS..SBendtrans-74.2142.1177.8-77.5160.4000110.5F1033 F1034 L1039 N1044 V1331F1033-L1037 HydrophobicContact CD1-CD1 4Å; F1033-L1037 HydrophobicContact CE1-CD1 3.8Å; F1033-L1037 HydrophobicContact CE1-CG 4.37Å; F1033-L1037 PolarHBondContact O-N 2.83Å; F1034-L1037 PolarHBondContact O-N 3.34Å; L1037-L1039 HydrophobicContact CB-CD1 4.36Å; L1037-L1039 HydrophobicContact CB-CG 4.1Å; L1037-L1039 PolarHBondContact O-N 3.44Å; L1037-N1044 PolarHBondContact O-ND2 3.49Å; L1037-V1331 HydrophobicContact CD2-CG1 4.48Å
1038P70.2Confident79.9Confident66 Ų6659.6 Ų59.643%0.42930%0.301SS..  trans-76.858.9178.534-34.9000110.7T1335P1038-T1335 HydrophobicContact CG-CG2 4.13Å
1039L69.2Low79.8Confident67 Ų6757 Ų5735%0.35128%0.284SS..  trans-75.5142.6170.9-64.5169.1000108.4F1034 L1037 Y1041F1034-L1039 HydrophobicContact CD2-CD1 4Å; F1034-L1039 HydrophobicContact CE1-CD1 4.45Å; F1034-L1039 HydrophobicContact CE2-CD1 3.52Å; F1034-L1039 HydrophobicContact CZ-CD1 3.78Å; L1037-L1039 HydrophobicContact CB-CD1 4.36Å; L1037-L1039 HydrophobicContact CB-CG 4.1Å; L1037-L1039 PolarHBondContact O-N 3.44Å; L1039-Y1041 HydrophobicContact CB-CD2 3.6Å; L1039-Y1041 HydrophobicContact CB-CE2 4.05Å; L1039-Y1041 HydrophobicContact CD1-CD2 4.26Å; L1039-Y1041 HydrophobicContact CD1-CE2 4.14Å; L1039-Y1041 PolarHBondContact O-N 2.91Å
1040N65.6Low79.9Confident163 Ų16354.5 Ų54.587%0.87227%0.266SS*.SBendtrans-64.627.4179.7-90.5-10.6000114.8
1041Y70.2Confident80Confident139 Ų13951.1 Ų51.155%0.54524%0.242SC..  trans-82.5129.4172-69.1-71.1000110F1034 L1039 I1043 N1044F1034-Y1041 HydrophobicContact CZ-CE2 4.05Å; L1039-Y1041 HydrophobicContact CB-CD2 3.6Å; L1039-Y1041 HydrophobicContact CB-CE2 4.05Å; L1039-Y1041 HydrophobicContact CD1-CD2 4.26Å; L1039-Y1041 HydrophobicContact CD1-CE2 4.14Å; L1039-Y1041 PolarHBondContact O-N 2.91Å; Y1041-I1043 PolarHBondContact O-N 2.91Å; Y1041-N1044 PolarHBondContact O-N 3.46Å
1042R68.8Low80Confident184 Ų18450.5 Ų50.569%0.69424%0.237SC*.Hα-helixtrans-50.9-27.1175.7-69-173-178.2-178.4-0.1113.8N1044 E1045R1042-N1044 VanDerWaalsContact C-N 3.33Å; R1042-N1044 PolarHBondContact O-N 3.28Å; R1042-E1045 PolarHBondContact O-N 2.79Å
1043I77Confident80Confident64 Ų6450 Ų5033%0.32824%0.235SC..Hα-helixtrans-67.5-34.7-179.2-55.9173.8000111.1I1011 Y1041 E1045 A1046 I1049I1011-I1043 HydrophobicContact CD1-CG2 4.29Å; Y1041-I1043 PolarHBondContact O-N 2.91Å; I1043-E1045 VanDerWaalsContact C-N 3.31Å; I1043-E1045 PolarHBondContact O-N 3.5Å; I1043-A1046 WeakPolarHBondContact O-CB 3.28Å; I1043-A1046 PolarHBondContact O-N 3.4Å; I1043-I1049 HydrophobicContact CG2-CD1 4.24Å; I1043-I1049 HydrophobicContact CG2-CG1 3.94Å; I1043-I1049 HydrophobicContact CG2-CG2 4.4Å; I1043-I1049 WeakPolarHBondContact O-CB 3.38Å; I1043-I1049 WeakPolarHBondContact O-CG1 3.49Å
1044N73.1Confident80Confident10 Ų1047.7 Ų47.75%0.05323%0.225CC..Hα-helixtrans-77.1-17.2-179.4-87.63.3000114.1F1035 L1037 Y1041 R1042 A1046 K1050F1035-N1044 PolarHBondContact O-ND2 3.37Å; F1035-N1044 PolarHBondContact O-OD1 3.31Å; L1037-N1044 PolarHBondContact O-ND2 3.49Å; Y1041-N1044 PolarHBondContact O-N 3.46Å; R1042-N1044 VanDerWaalsContact C-N 3.33Å; R1042-N1044 PolarHBondContact O-N 3.28Å; N1044-A1046 VanDerWaalsContact C-N 3.31Å; N1044-K1050 VanDerWaalsContact O-CE 3.26Å; N1044-K1050 WeakPolarHBondContact O-CE 3.34Å; N1044-K1050 WeakPolarHBondContact O-CG 3.49Å
1045E73.4Confident80.2Confident39 Ų3944.8 Ų44.818%0.18221%0.213CC..Hα-helixtrans-75.3-25.8174.2-66.317516400111.3R1042 I1043 P1047 S1374R1042-E1045 PolarHBondContact O-N 2.79Å; I1043-E1045 VanDerWaalsContact C-N 3.31Å; I1043-E1045 PolarHBondContact O-N 3.5Å; E1045-P1047 WeakPolarHBondContact O-CD 3.47Å; E1045-S1374 PolarHBondContact OE1-OG 2.76Å; E1045-S1374 PolarHBondContact OE2-OG 2.96Å; E1045-S1374 VanDerWaalsContact OE2-OG 3.11Å
1046A82.4Confident80.5Confident1 Ų142.9 Ų42.91%0.00821%0.205CC..SBendtrans-64.2123.3-177.300000111.7I1011 I1043 N1044 V1048 I1049 K1050I1011-A1046 HydrophobicContact CD1-CB 3.58Å; I1011-A1046 HydrophobicContact CG1-CB 4.26Å; I1043-A1046 WeakPolarHBondContact O-CB 3.28Å; I1043-A1046 PolarHBondContact O-N 3.4Å; N1044-A1046 VanDerWaalsContact C-N 3.31Å; A1046-V1048 HydrophobicContact CB-CG1 4.36Å; A1046-V1048 PolarHBondContact O-N 3.24Å; A1046-V1048 VanDerWaalsContact O-N 3.16Å; A1046-I1049 HydrophobicContact CB-CB 4.45Å; A1046-I1049 HydrophobicContact CB-CG1 3.97Å; A1046-I1049 PolarHBondContact O-N 3.08Å; A1046-K1050 PolarHBondContact O-N 3.44Å; A1046-K1050 VanDerWaalsContact O-N 3.13Å
1047P86.1Confident80.8Confident3 Ų343.2 Ų43.22%0.01921%0.208CC..Hα-helixtrans-56.5-35.6-178-26.333.6000113.3V1006 W1007 E1045 I1049 K1050 F1051 M1321 N1322V1006-P1047 VanDerWaalsContact O-CD 3.25Å; V1006-P1047 WeakPolarHBondContact O-CD 3.41Å; V1006-P1047 WeakPolarHBondContact O-CG 3.01Å; W1007-P1047 HydrophobicContact CE3-CB 3.78Å; W1007-P1047 HydrophobicContact CZ3-CB 4.19Å; W1007-P1047 WeakPolarHBondContact O-CD 3.2Å; E1045-P1047 WeakPolarHBondContact O-CD 3.47Å; P1047-I1049 VanDerWaalsContact C-N 3.29Å; P1047-I1049 PolarHBondContact O-N 3.16Å; P1047-K1050 PolarHBondContact O-N 3.26Å; P1047-F1051 VanDerWaalsContact O-CB 3.26Å; P1047-F1051 WeakPolarHBondContact O-CB 3.41Å; P1047-F1051 PolarHBondContact O-N 2.9Å; P1047-M1321 HydrophobicContact CB-CB 4.15Å; P1047-N1322 HydrophobicContact CG-CB 4.45Å
1048V86.5Confident81.3Confident7 Ų741.2 Ų41.24%0.04220%0.197CC..Hα-helixtrans-62.8-35.1177.572.90000112.7W1007 I1011 L1018 A1046 S1052W1007-V1048 HydrophobicContact CD2-CB 4.35Å; W1007-V1048 HydrophobicContact CZ2-CB 4.3Å; W1007-V1048 HydrophobicContact CZ2-CG2 4.07Å; W1007-V1048 WeakPolarHBondContact O-CB 3.39Å; W1007-V1048 PolarHBondContact O-N 2.67Å; W1007-V1048 VanDerWaalsContact O-N 3.09Å; I1011-V1048 HydrophobicContact CD1-CG1 4.36Å; L1018-V1048 HydrophobicContact CD1-CG1 4.06Å; L1018-V1048 HydrophobicContact CD1-CG2 4.1Å; L1018-V1048 HydrophobicContact CD2-CG2 3.46Å; L1018-V1048 VanDerWaalsContact CD2-CG2 3.46Å; L1018-V1048 HydrophobicContact CG-CG2 4.39Å; A1046-V1048 HydrophobicContact CB-CG1 4.36Å; A1046-V1048 PolarHBondContact O-N 3.24Å; A1046-V1048 VanDerWaalsContact O-N 3.16Å; V1048-S1052 WeakPolarHBondContact O-CB 3.4Å; V1048-S1052 PolarHBondContact O-N 2.83Å
1049I86.6Confident82.3Confident0 Ų040.1 Ų40.10%019%0.187CC..Hα-helixtrans-75.7-44.5178.8-56.8-65000109.6I1011 F1021 I1043 A1046 P1047 F1051 S1052 C1053I1011-I1049 HydrophobicContact CD1-CD1 3.9Å; I1011-I1049 HydrophobicContact CD1-CG1 3.58Å; F1021-I1049 HydrophobicContact CD1-CD1 3.77Å; F1021-I1049 HydrophobicContact CE1-CD1 3.39Å; F1021-I1049 HydrophobicContact CE1-CG2 4.04Å; F1021-I1049 HydrophobicContact CZ-CD1 3.9Å; F1021-I1049 HydrophobicContact CZ-CG2 4.04Å; I1043-I1049 HydrophobicContact CG2-CD1 4.24Å; I1043-I1049 HydrophobicContact CG2-CG1 3.94Å; I1043-I1049 HydrophobicContact CG2-CG2 4.4Å; I1043-I1049 WeakPolarHBondContact O-CB 3.38Å; I1043-I1049 WeakPolarHBondContact O-CG1 3.49Å; A1046-I1049 HydrophobicContact CB-CB 4.45Å; A1046-I1049 HydrophobicContact CB-CG1 3.97Å; A1046-I1049 PolarHBondContact O-N 3.08Å; P1047-I1049 VanDerWaalsContact C-N 3.29Å; P1047-I1049 PolarHBondContact O-N 3.16Å; I1049-F1051 VanDerWaalsContact C-N 3.31Å; I1049-F1051 PolarHBondContact O-N 3.3Å; I1049-S1052 WeakPolarHBondContact CA-OG 3.34Å; I1049-S1052 PolarHBondContact O-N 3.27Å; I1049-S1052 VanDerWaalsContact O-N 3.13Å; I1049-S1052 PolarHBondContact O-OG 3.5Å; I1049-C1053 PolarHBondContact O-N 3.04Å; I1049-C1053 PolarHBondContact O-SG 3.36Å
1050K86.2Confident83.3Confident12 Ų1238.3 Ų38.35%0.05218%0.177CC..Hα-helixtrans-54.6-48.9171.9-62.3-177.4178.8-178.30110.8N1044 A1046 P1047 S1052 C1053 H1054 M1321 N1322 K1324 A1326N1044-K1050 VanDerWaalsContact O-CE 3.26Å; N1044-K1050 WeakPolarHBondContact O-CE 3.34Å; N1044-K1050 WeakPolarHBondContact O-CG 3.49Å; A1046-K1050 PolarHBondContact O-N 3.44Å; A1046-K1050 VanDerWaalsContact O-N 3.13Å; P1047-K1050 PolarHBondContact O-N 3.26Å; K1050-S1052 PolarHBondContact O-N 3.05Å; K1050-C1053 PolarHBondContact O-N 3.39Å; K1050-C1053 VanDerWaalsContact O-N 3.16Å; K1050-H1054 PolarHBondContact O-CD2 3Å; K1050-H1054 PolarHBondContact O-N 2.83Å; K1050-M1321 VanDerWaalsContact CD-O 3.29Å; K1050-M1321 WeakPolarHBondContact CD-O 3.5Å; K1050-N1322 PolarHBondContact NZ-O 3.46Å; K1050-K1324 WeakPolarHBondContact CD-O 3.29Å; K1050-K1324 PolarHBondContact NZ-O 3.32Å; K1050-A1326 HydrophobicContact CG-CB 4.02Å
1051F88Confident84.6Confident24 Ų2430.6 Ų30.611%0.10514%0.136CC..Hα-helixtrans-58.4-45.3176.6178.1-95.2000111.9W1007 P1047 I1049 C1053 H1054 L1055 F1177 V1180W1007-F1051 HydrophobicContact CH2-CB 3.54Å; W1007-F1051 HydrophobicContact CH2-CD1 4.02Å; W1007-F1051 AromaticContact CH2-CD2 3.8Å; W1007-F1051 HydrophobicContact CH2-CD2 3.8Å; W1007-F1051 AromaticContact CH2-CG 3.51Å; W1007-F1051 HydrophobicContact CH2-CG 3.51Å; W1007-F1051 HydrophobicContact CZ2-CB 4.11Å; W1007-F1051 HydrophobicContact CZ2-CD1 4.06Å; W1007-F1051 HydrophobicContact CZ2-CG 4.02Å; W1007-F1051 HydrophobicContact CZ3-CB 4.29Å; P1047-F1051 VanDerWaalsContact O-CB 3.26Å; P1047-F1051 WeakPolarHBondContact O-CB 3.41Å; P1047-F1051 PolarHBondContact O-N 2.9Å; I1049-F1051 VanDerWaalsContact C-N 3.31Å; I1049-F1051 PolarHBondContact O-N 3.3Å; F1051-C1053 VanDerWaalsContact C-N 3.31Å; F1051-C1053 PolarHBondContact O-N 3.5Å; F1051-H1054 PolarHBondContact O-N 3.24Å; F1051-L1055 HydrophobicContact CE1-CD2 4.27Å; F1051-L1055 WeakPolarHBondContact O-CB 3.42Å; F1051-L1055 PolarHBondContact O-N 3.16Å; F1051-F1177 HydrophobicContact CD2-CD1 4.39Å; F1051-F1177 AromaticContact CE2-CD1 3.59Å; F1051-F1177 HydrophobicContact CE2-CD1 3.59Å; F1051-F1177 HydrophobicContact CE2-CE1 4.36Å; F1051-F1177 HydrophobicContact CZ-CB 4.07Å; F1051-F1177 AromaticContact CZ-CD1 3.77Å; F1051-F1177 HydrophobicContact CZ-CD1 3.77Å; F1051-F1177 HydrophobicContact CZ-CG 4.43Å; F1051-F1177 WeakPolarHBondContact CZ-O 3.48Å; F1051-V1180 HydrophobicContact CD2-CG2 4.4Å; F1051-V1180 HydrophobicContact CE1-CG2 4.39Å; F1051-V1180 HydrophobicContact CE2-CG2 3.69Å; F1051-V1180 HydrophobicContact CZ-CG2 3.7Å
1052S87.9Confident85.5Confident5 Ų524.2 Ų24.24%0.03511%0.112CC..Hα-helixtrans-61-38.6176.575.40000112.3V1048 I1049 K1050 L1055 V1056V1048-S1052 WeakPolarHBondContact O-CB 3.4Å; V1048-S1052 PolarHBondContact O-N 2.83Å; I1049-S1052 WeakPolarHBondContact CA-OG 3.34Å; I1049-S1052 PolarHBondContact O-N 3.27Å; I1049-S1052 VanDerWaalsContact O-N 3.13Å; I1049-S1052 PolarHBondContact O-OG 3.5Å; K1050-S1052 PolarHBondContact O-N 3.05Å; S1052-L1055 PolarHBondContact O-N 3.25Å; S1052-V1056 WeakPolarHBondContact O-CB 3.39Å; S1052-V1056 VanDerWaalsContact O-CG2 3.29Å; S1052-V1056 WeakPolarHBondContact O-CG2 3.35Å; S1052-V1056 PolarHBondContact O-N 3.15Å
1053C88.2Confident86.6Confident1 Ų121.6 Ų21.61%0.00710%0.102CC..Hα-helixtrans-69.8-39.1177.8-64.90000112.5W1032 I1049 K1050 F1051 S1057 P1328W1032-C1053 PolarHBondContact NE1-O 2.99Å; W1032-C1053 VanDerWaalsContact NE1-O 3.14Å; I1049-C1053 PolarHBondContact O-N 3.04Å; I1049-C1053 PolarHBondContact O-SG 3.36Å; K1050-C1053 PolarHBondContact O-N 3.39Å; K1050-C1053 VanDerWaalsContact O-N 3.16Å; F1051-C1053 VanDerWaalsContact C-N 3.31Å; F1051-C1053 PolarHBondContact O-N 3.5Å; C1053-S1057 VanDerWaalsContact O-CB 3.29Å; C1053-S1057 WeakPolarHBondContact O-CB 3.35Å; C1053-S1057 PolarHBondContact O-N 3.18Å; C1053-P1328 HydrophobicContact CB-CG 4.47Å
1054H87.6Confident87.2Confident34 Ų3419.2 Ų19.216%0.1579%0.09CC..Hα-helixtrans-65.9-40.5172.8-78.2-71.9000111.7K1050 F1051 S1057 H1058 S1325 P1328K1050-H1054 PolarHBondContact O-CD2 3Å; K1050-H1054 PolarHBondContact O-N 2.83Å; F1051-H1054 PolarHBondContact O-N 3.24Å; H1054-S1057 PolarHBondContact O-N 3.15Å; H1054-H1058 WeakPolarHBondContact O-CB 3.17Å; H1054-H1058 PolarHBondContact O-N 3.38Å; H1054-S1325 PolarHBondContact NE2-O 2.9Å; H1054-P1328 WeakPolarHBondContact ND1-CB 3.44Å
1055L88.7Confident88Confident31 Ų3118.7 Ų18.716%0.1629%0.087CC..Hα-helixtrans-66-46.1176178.959.4000111.6F1022 F1051 S1052 S1057 H1058 I1059 Y1174 F1177F1022-L1055 HydrophobicContact CD2-CD2 4.36Å; F1022-L1055 HydrophobicContact CE2-CB 4.28Å; F1022-L1055 HydrophobicContact CE2-CD2 3.53Å; F1022-L1055 HydrophobicContact CE2-CG 3.79Å; F1022-L1055 HydrophobicContact CZ-CD2 3.87Å; F1022-L1055 HydrophobicContact CZ-CG 4.19Å; F1051-L1055 HydrophobicContact CE1-CD2 4.27Å; F1051-L1055 WeakPolarHBondContact O-CB 3.42Å; F1051-L1055 PolarHBondContact O-N 3.16Å; S1052-L1055 PolarHBondContact O-N 3.25Å; L1055-S1057 PolarHBondContact O-N 3.43Å; L1055-H1058 PolarHBondContact O-N 2.72Å; L1055-I1059 HydrophobicContact CD1-CD1 4.24Å; L1055-I1059 HydrophobicContact CD1-CG1 4.44Å; L1055-I1059 HydrophobicContact CG-CD1 4.05Å; L1055-I1059 VanDerWaalsContact O-CG1 3.31Å; L1055-I1059 WeakPolarHBondContact O-CG1 3.37Å; L1055-I1059 PolarHBondContact O-N 3.44Å; L1055-Y1174 HydrophobicContact CD1-CD1 4.27Å; L1055-Y1174 HydrophobicContact CD1-CE1 4.27Å; L1055-F1177 HydrophobicContact CB-CD1 4.26Å; L1055-F1177 HydrophobicContact CB-CE1 4.38Å; L1055-F1177 HydrophobicContact CD1-CB 3.94Å; L1055-F1177 HydrophobicContact CD1-CD1 4.02Å; L1055-F1177 HydrophobicContact CD1-CD2 3.97Å; L1055-F1177 HydrophobicContact CD1-CE2 4.46Å; L1055-F1177 HydrophobicContact CD1-CG 3.72Å
1056V91Very high88.8Confident0 Ų018.2 Ų18.20%09%0.087CC..Hα-helixtrans-62.3-43.3175.9170.30000110.8F1022 V1025 L1026 W1032 S1052 H1058 I1059 L1060F1022-V1056 HydrophobicContact CD2-CG2 3.87Å; F1022-V1056 HydrophobicContact CE2-CG2 3.54Å; F1022-V1056 HydrophobicContact CZ-CG2 4.34Å; V1025-V1056 HydrophobicContact CB-CG2 4.46Å; V1025-V1056 HydrophobicContact CG1-CB 4.31Å; V1025-V1056 HydrophobicContact CG1-CG1 4.29Å; V1025-V1056 HydrophobicContact CG1-CG2 3.98Å; L1026-V1056 HydrophobicContact CB-CG2 4.05Å; L1026-V1056 HydrophobicContact CD1-CG1 4.12Å; L1026-V1056 HydrophobicContact CD1-CG2 4.3Å; W1032-V1056 HydrophobicContact CB-CG1 4.2Å; W1032-V1056 HydrophobicContact CG-CG1 3.87Å; S1052-V1056 WeakPolarHBondContact O-CB 3.39Å; S1052-V1056 VanDerWaalsContact O-CG2 3.29Å; S1052-V1056 WeakPolarHBondContact O-CG2 3.35Å; S1052-V1056 PolarHBondContact O-N 3.15Å; V1056-H1058 VanDerWaalsContact C-N 3.28Å; V1056-H1058 PolarHBondContact O-N 3.26Å; V1056-I1059 PolarHBondContact O-N 2.89Å; V1056-I1059 VanDerWaalsContact O-N 3.13Å; V1056-L1060 HydrophobicContact CG1-CD1 4.05Å; V1056-L1060 HydrophobicContact CG1-CG 4.29Å; V1056-L1060 WeakPolarHBondContact O-CG 3.49Å; V1056-L1060 PolarHBondContact O-N 3.37Å
1057S90.7Very high89.1Confident8 Ų820 Ų206%0.05610%0.095CC..Hα-helixtrans-56.4-43.1173.3162.10000112.1C1053 H1054 L1055 L1060 F1061 W1094 A1329C1053-S1057 VanDerWaalsContact O-CB 3.29Å; C1053-S1057 WeakPolarHBondContact O-CB 3.35Å; C1053-S1057 PolarHBondContact O-N 3.18Å; H1054-S1057 PolarHBondContact O-N 3.15Å; L1055-S1057 PolarHBondContact O-N 3.43Å; S1057-L1060 PolarHBondContact O-N 3.2Å; S1057-F1061 WeakPolarHBondContact O-CB 3.39Å; S1057-F1061 PolarHBondContact O-N 2.97Å; S1057-W1094 PolarHBondContact O-NE1 3.43Å; S1057-A1329 PolarHBondContact OG-O 3.38Å
1058H90.1Very high89.1Confident8 Ų820.1 Ų20.14%0.03710%0.096CC..Hα-helixtrans-67.2-37.7177.4-163.9-82.7000112H1054 L1055 V1056 F1061 T1062 T1170 H1173 Y1174 F1177H1054-H1058 WeakPolarHBondContact O-CB 3.17Å; H1054-H1058 PolarHBondContact O-N 3.38Å; L1055-H1058 PolarHBondContact O-N 2.72Å; V1056-H1058 VanDerWaalsContact C-N 3.28Å; V1056-H1058 PolarHBondContact O-N 3.26Å; H1058-F1061 WeakPolarHBondContact O-CB 3.44Å; H1058-F1061 PolarHBondContact O-N 3.18Å; H1058-T1062 PolarHBondContact O-N 3.42Å; H1058-T1062 PolarHBondContact O-OG1 2.82Å; H1058-T1062 VanDerWaalsContact O-OG1 3.06Å; H1058-T1170 PolarHBondContact CE1-O 3.07Å; H1058-T1170 VanDerWaalsContact CE1-O 3.29Å; H1058-H1173 AromaticContact CD2-CD2 3.68Å; H1058-H1173 AromaticContact NE2-CD2 3.37Å; H1058-H1173 PolarHBondContact NE2-CD2 3.15Å; H1058-Y1174 AromaticContact ND1-CE1 3.66Å; H1058-Y1174 AromaticContact ND1-CZ 3.88Å; H1058-F1177 HydrophobicContact CB-CE2 3.88Å; H1058-F1177 HydrophobicContact CB-CZ 4.02Å; H1058-F1177 AromaticContact CD2-CE2 3.95Å; H1058-F1177 AromaticContact CG-CE2 3.69Å
1059I91.2Very high89.1Confident42 Ų4221 Ų2122%0.21510%0.101CC..Hα-helixtrans-64.9-43.7174.6-65.6163.7000111.2F1022 L1026 L1055 V1056 F1061 T1062 W1063 Y1174F1022-I1059 HydrophobicContact CE2-CD1 4.28Å; F1022-I1059 HydrophobicContact CZ-CD1 3.65Å; L1026-I1059 HydrophobicContact CD1-CB 4.09Å; L1026-I1059 HydrophobicContact CD1-CD1 4.16Å; L1026-I1059 HydrophobicContact CD1-CG2 3.69Å; L1055-I1059 HydrophobicContact CD1-CD1 4.24Å; L1055-I1059 HydrophobicContact CD1-CG1 4.44Å; L1055-I1059 HydrophobicContact CG-CD1 4.05Å; L1055-I1059 VanDerWaalsContact O-CG1 3.31Å; L1055-I1059 WeakPolarHBondContact O-CG1 3.37Å; L1055-I1059 PolarHBondContact O-N 3.44Å; V1056-I1059 PolarHBondContact O-N 2.89Å; V1056-I1059 VanDerWaalsContact O-N 3.13Å; I1059-F1061 VanDerWaalsContact C-N 3.31Å; I1059-F1061 PolarHBondContact O-N 3.38Å; I1059-T1062 PolarHBondContact O-N 2.92Å; I1059-W1063 WeakPolarHBondContact O-CB 3.4Å; I1059-W1063 PolarHBondContact O-N 2.92Å; I1059-Y1174 WeakPolarHBondContact CA-OH 3.4Å; I1059-Y1174 HydrophobicContact CG1-CE1 3.81Å
1060L91.1Very high89Confident29 Ų2927.4 Ų27.415%0.15214%0.135CC..Hα-helixtrans-63.3-39174.7-66.8174.7000111.3W1032 V1056 S1057 W1063 L1064 W1094W1032-L1060 HydrophobicContact CD2-CD1 3.98Å; W1032-L1060 HydrophobicContact CE3-CD1 3.91Å; W1032-L1060 HydrophobicContact CH2-CD1 4.38Å; W1032-L1060 HydrophobicContact CZ2-CD1 4.46Å; W1032-L1060 HydrophobicContact CZ3-CD1 4.12Å; V1056-L1060 HydrophobicContact CG1-CD1 4.05Å; V1056-L1060 HydrophobicContact CG1-CG 4.29Å; V1056-L1060 WeakPolarHBondContact O-CG 3.49Å; V1056-L1060 PolarHBondContact O-N 3.37Å; S1057-L1060 PolarHBondContact O-N 3.2Å; L1060-W1063 PolarHBondContact O-N 2.83Å; L1060-L1064 WeakPolarHBondContact O-CG 3.32Å; L1060-L1064 PolarHBondContact O-N 3.15Å; L1060-W1094 HydrophobicContact CB-CZ2 4.14Å; L1060-W1094 HydrophobicContact CD1-CZ2 4.46Å
1061F91.4Very high88.6Confident1 Ų128.3 Ų28.30%0.00414%0.138CC..Hα-helixtrans-61.4-50.9173.8178.9-119.4000111.8S1057 H1058 I1059 W1063 L1064 L1065 L1091 W1094 L1095 T1118 T1170S1057-F1061 WeakPolarHBondContact O-CB 3.39Å; S1057-F1061 PolarHBondContact O-N 2.97Å; H1058-F1061 WeakPolarHBondContact O-CB 3.44Å; H1058-F1061 PolarHBondContact O-N 3.18Å; I1059-F1061 VanDerWaalsContact C-N 3.31Å; I1059-F1061 PolarHBondContact O-N 3.38Å; F1061-W1063 VanDerWaalsContact C-N 3.25Å; F1061-W1063 PolarHBondContact O-N 2.97Å; F1061-L1064 PolarHBondContact O-N 3.38Å; F1061-L1065 HydrophobicContact CD1-CD1 4.33Å; F1061-L1065 HydrophobicContact CD2-CD1 4.37Å; F1061-L1065 HydrophobicContact CE1-CD1 3.62Å; F1061-L1065 HydrophobicContact CE2-CD1 3.66Å; F1061-L1065 HydrophobicContact CZ-CD1 3.24Å; F1061-L1065 WeakPolarHBondContact O-CB 3.48Å; F1061-L1065 PolarHBondContact O-N 3.36Å; F1061-L1091 HydrophobicContact CD2-CD1 4.19Å; F1061-L1091 HydrophobicContact CE2-CD1 3.75Å; F1061-W1094 HydrophobicContact CB-CG 4.42Å; F1061-W1094 HydrophobicContact CD2-CB 3.7Å; F1061-W1094 AromaticContact CD2-CD1 3.71Å; F1061-W1094 AromaticContact CD2-CG 3.93Å; F1061-W1094 HydrophobicContact CD2-CG 3.93Å; F1061-W1094 HydrophobicContact CE2-CB 4.12Å; F1061-W1094 AromaticContact CG-CD1 3.96Å; F1061-L1095 HydrophobicContact CE2-CD2 3.93Å; F1061-L1095 HydrophobicContact CE2-CG 4.19Å; F1061-L1095 HydrophobicContact CZ-CD2 3.76Å; F1061-T1118 HydrophobicContact CE1-CG2 4.01Å; F1061-T1118 HydrophobicContact CZ-CG2 4.02Å; F1061-T1170 HydrophobicContact CD1-CG2 4.01Å; F1061-T1170 HydrophobicContact CE1-CG2 3.54Å
1062T90.5Very high87.8Confident5 Ų531.2 Ų31.23%0.03116%0.157CC..Hα-helixtrans-59.1-39.5176.9-60.40000110.7H1058 I1059 L1065 T1066 L1167 F1171 Y1174H1058-T1062 PolarHBondContact O-N 3.42Å; H1058-T1062 PolarHBondContact O-OG1 2.82Å; H1058-T1062 VanDerWaalsContact O-OG1 3.06Å; I1059-T1062 PolarHBondContact O-N 2.92Å; T1062-L1065 PolarHBondContact O-N 2.91Å; T1062-T1066 WeakPolarHBondContact O-CG2 3.37Å; T1062-T1066 PolarHBondContact O-N 3.31Å; T1062-T1066 PolarHBondContact O-OG1 3.05Å; T1062-L1167 HydrophobicContact CG2-CD1 3.8Å; T1062-F1171 HydrophobicContact CG2-CD2 4.44Å; T1062-F1171 HydrophobicContact CG2-CE1 4.37Å; T1062-F1171 HydrophobicContact CG2-CE2 3.98Å; T1062-F1171 HydrophobicContact CG2-CZ 3.93Å; T1062-Y1174 WeakPolarHBondContact CB-OH 3.15Å; T1062-Y1174 HydrophobicContact CG2-CE2 4.28Å; T1062-Y1174 PolarHBondContact OG1-OH 3.22Å
1063W90.9Very high87.1Confident129 Ų12939.1 Ų39.149%0.48919%0.187SC..Hα-helixtrans-65.7-40.9175.7-177.981.8000113.4I1059 L1060 F1061 L1065 T1066 M1067I1059-W1063 WeakPolarHBondContact O-CB 3.4Å; I1059-W1063 PolarHBondContact O-N 2.92Å; L1060-W1063 PolarHBondContact O-N 2.83Å; F1061-W1063 VanDerWaalsContact C-N 3.25Å; F1061-W1063 PolarHBondContact O-N 2.97Å; W1063-L1065 VanDerWaalsContact C-N 3.3Å; W1063-L1065 PolarHBondContact O-N 3.42Å; W1063-T1066 WeakPolarHBondContact CA-OG1 3.5Å; W1063-T1066 PolarHBondContact O-N 3.07Å; W1063-T1066 PolarHBondContact O-OG1 3.26Å; W1063-M1067 HydrophobicContact CD2-CG 4.22Å; W1063-M1067 HydrophobicContact CH2-CG 4.42Å; W1063-M1067 HydrophobicContact CZ2-CE 3.78Å; W1063-M1067 HydrophobicContact CZ2-CG 4.07Å; W1063-M1067 HydrophobicContact CZ2-SD 4.39Å; W1063-M1067 WeakPolarHBondContact O-CB 3.49Å; W1063-M1067 VanDerWaalsContact O-CG 3.23Å; W1063-M1067 WeakPolarHBondContact O-CG 3.36Å; W1063-M1067 PolarHBondContact O-N 3.08Å
1064L89.8Confident86.5Confident14 Ų1446.4 Ų46.47%0.07322%0.215CC..Hα-helixtrans-63.9-39.8173.4-72.3170.3000111.2L1060 F1061 M1067 E1068 V1087 F1090 L1091 W1094L1060-L1064 WeakPolarHBondContact O-CG 3.32Å; L1060-L1064 PolarHBondContact O-N 3.15Å; F1061-L1064 PolarHBondContact O-N 3.38Å; L1064-M1067 PolarHBondContact O-N 3.24Å; L1064-E1068 PolarHBondContact O-N 3.35Å; L1064-V1087 HydrophobicContact CD2-CG1 4.22Å; L1064-F1090 HydrophobicContact CD1-CB 4.09Å; L1064-F1090 HydrophobicContact CD2-CB 4.4Å; L1064-L1091 HydrophobicContact CB-CD1 4.35Å; L1064-W1094 HydrophobicContact CD1-CD2 4.07Å; L1064-W1094 HydrophobicContact CD1-CE3 3.91Å; L1064-W1094 HydrophobicContact CD1-CZ3 4.18Å
1065L89.9Confident86.1Confident0 Ų046.8 Ų46.80%022%0.22CC..Hα-helixtrans-68.1-39.5178.9-131.1137.2000111.8F1061 T1062 W1063 E1068 T1069 L1091 F1163 V1166 L1167F1061-L1065 HydrophobicContact CD1-CD1 4.33Å; F1061-L1065 HydrophobicContact CD2-CD1 4.37Å; F1061-L1065 HydrophobicContact CE1-CD1 3.62Å; F1061-L1065 HydrophobicContact CE2-CD1 3.66Å; F1061-L1065 HydrophobicContact CZ-CD1 3.24Å; F1061-L1065 WeakPolarHBondContact O-CB 3.48Å; F1061-L1065 PolarHBondContact O-N 3.36Å; T1062-L1065 PolarHBondContact O-N 2.91Å; W1063-L1065 VanDerWaalsContact C-N 3.3Å; W1063-L1065 PolarHBondContact O-N 3.42Å; L1065-E1068 PolarHBondContact O-N 2.88Å; L1065-T1069 HydrophobicContact CD2-CG2 4.31Å; L1065-T1069 VanDerWaalsContact O-CG2 3.28Å; L1065-T1069 WeakPolarHBondContact O-CG2 3.48Å; L1065-T1069 PolarHBondContact O-N 3.06Å; L1065-T1069 PolarHBondContact O-OG1 3.03Å; L1065-L1091 HydrophobicContact CB-CD1 4.35Å; L1065-L1091 HydrophobicContact CD1-CD1 3.9Å; L1065-L1091 HydrophobicContact CG-CD1 4.01Å; L1065-F1163 HydrophobicContact CD2-CB 4.15Å; L1065-F1163 WeakPolarHBondContact CD2-O 3.29Å; L1065-V1166 HydrophobicContact CD1-CG1 3.83Å; L1065-V1166 HydrophobicContact CD2-CB 4.21Å; L1065-V1166 HydrophobicContact CD2-CG1 4.13Å; L1065-L1167 HydrophobicContact CB-CD1 4.21Å; L1065-L1167 HydrophobicContact CD2-CB 3.69Å; L1065-L1167 HydrophobicContact CD2-CD1 4.37Å
1066T90.5Very high85.6Confident29 Ų2947 Ų4718%0.17822%0.221CC..Hα-helixtrans-65.7-39.6173.255.10000112.2T1062 W1063 E1068 T1069 L1070 L1167T1062-T1066 WeakPolarHBondContact O-CG2 3.37Å; T1062-T1066 PolarHBondContact O-N 3.31Å; T1062-T1066 PolarHBondContact O-OG1 3.05Å; W1063-T1066 WeakPolarHBondContact CA-OG1 3.5Å; W1063-T1066 PolarHBondContact O-N 3.07Å; W1063-T1066 PolarHBondContact O-OG1 3.26Å; T1066-E1068 VanDerWaalsContact C-N 3.29Å; T1066-E1068 PolarHBondContact O-N 3.25Å; T1066-T1069 WeakPolarHBondContact CA-OG1 3.43Å; T1066-T1069 PolarHBondContact O-N 2.93Å; T1066-T1069 PolarHBondContact O-OG1 3.3Å; T1066-L1070 VanDerWaalsContact O-CB 3.3Å; T1066-L1070 WeakPolarHBondContact O-CB 3.48Å; T1066-L1070 WeakPolarHBondContact O-CG 3.38Å; T1066-L1070 PolarHBondContact O-N 3.38Å; T1066-L1167 HydrophobicContact CG2-CD1 3.53Å; T1066-L1167 HydrophobicContact CG2-CD2 3.8Å; T1066-L1167 HydrophobicContact CG2-CG 4.3Å
1067M88.9Confident85Confident38 Ų3854.9 Ų54.919%0.18725%0.252CS..Hα-helixtrans-62.6-37.7176.4-73.3-69.3158.600111.9W1063 L1064 R1071 V1072 Y1073 V1087W1063-M1067 HydrophobicContact CD2-CG 4.22Å; W1063-M1067 HydrophobicContact CH2-CG 4.42Å; W1063-M1067 HydrophobicContact CZ2-CE 3.78Å; W1063-M1067 HydrophobicContact CZ2-CG 4.07Å; W1063-M1067 HydrophobicContact CZ2-SD 4.39Å; W1063-M1067 WeakPolarHBondContact O-CB 3.49Å; W1063-M1067 VanDerWaalsContact O-CG 3.23Å; W1063-M1067 WeakPolarHBondContact O-CG 3.36Å; W1063-M1067 PolarHBondContact O-N 3.08Å; L1064-M1067 PolarHBondContact O-N 3.24Å; M1067-R1071 PolarHBondContact O-N 3.12Å; M1067-R1071 VanDerWaalsContact O-N 3.12Å; M1067-V1072 PolarHBondContact O-N 3.02Å; M1067-V1072 HydrophobicContact SD-CB 3.89Å; M1067-V1072 HydrophobicContact SD-CG1 4.3Å; M1067-V1072 HydrophobicContact SD-CG2 3.62Å; M1067-Y1073 HydrophobicContact SD-CE2 4.19Å; M1067-V1087 HydrophobicContact CB-CG1 4.4Å
1068E86.3Confident84.5Confident5 Ų559.2 Ų59.22%0.02327%0.272CS..Hα-helixtrans-75.1-38.9176.9-174.354.8-151.100112.9L1064 L1065 T1066 R1071 V1087 E1088 L1091 K1159 F1163L1064-E1068 PolarHBondContact O-N 3.35Å; L1065-E1068 PolarHBondContact O-N 2.88Å; T1066-E1068 VanDerWaalsContact C-N 3.29Å; T1066-E1068 PolarHBondContact O-N 3.25Å; E1068-R1071 WeakPolarHBondContact O-CG 3.44Å; E1068-R1071 IonicContact OE1-CZ 3.24Å; E1068-R1071 IonicContact OE1-NE 2.88Å; E1068-R1071 PolarHBondContact OE1-NE 3.38Å; E1068-R1071 IonicContact OE1-NH2 3.79Å; E1068-R1071 PolarHBondContact OE1-NH2 2.93Å; E1068-R1071 IonicContact OE2-NE 2.71Å; E1068-R1071 IonicContact OE2-NH2 3Å; E1068-V1087 HydrophobicContact CB-CG1 4.47Å; E1068-E1088 HydrophobicContact CG-CG 4.49Å; E1068-L1091 HydrophobicContact CG-CD2 4.45Å; E1068-K1159 IonicContact OE1-NZ 2.86Å; E1068-K1159 PolarHBondContact OE1-NZ 2.83Å; E1068-F1163 HydrophobicContact CG-CD2 4.22Å; E1068-F1163 HydrophobicContact CG-CE2 4.49Å
1069T85.9Confident83.9Confident26 Ų2659.4 Ų59.416%0.1627%0.273CS..Hα-helixtrans-72.3-40.5179.457.10000112.4L1065 T1066 R1071 F1163 A1164L1065-T1069 HydrophobicContact CD2-CG2 4.31Å; L1065-T1069 VanDerWaalsContact O-CG2 3.28Å; L1065-T1069 WeakPolarHBondContact O-CG2 3.48Å; L1065-T1069 PolarHBondContact O-N 3.06Å; L1065-T1069 PolarHBondContact O-OG1 3.03Å; T1066-T1069 WeakPolarHBondContact CA-OG1 3.43Å; T1066-T1069 PolarHBondContact O-N 2.93Å; T1066-T1069 PolarHBondContact O-OG1 3.3Å; T1069-R1071 VanDerWaalsContact C-N 3.3Å; T1069-F1163 HydrophobicContact CG2-CB 3.77Å; T1069-A1164 HydrophobicContact CG2-CB 4.19Å
1070L85Confident83.1Confident134 Ų13462.5 Ų62.570%0.70229%0.294SS*.THydrogen-bonded Turntrans-81.7-8.2177.9-62.8175.3000113.2T1066 V1072T1066-L1070 VanDerWaalsContact O-CB 3.3Å; T1066-L1070 WeakPolarHBondContact O-CB 3.48Å; T1066-L1070 WeakPolarHBondContact O-CG 3.38Å; T1066-L1070 PolarHBondContact O-N 3.38Å; L1070-V1072 VanDerWaalsContact C-N 3.34Å; L1070-V1072 HydrophobicContact CB-CG2 4.06Å; L1070-V1072 PolarHBondContact O-N 3.18Å
1071R76.5Confident82.5Confident32 Ų3263.7 Ų63.712%0.12131%0.305CS..THydrogen-bonded Turntrans47.652177.7-88.9-82162.2173.61.7113.1M1067 E1068 T1069 Y1073 R1074 L1076 E1088M1067-R1071 PolarHBondContact O-N 3.12Å; M1067-R1071 VanDerWaalsContact O-N 3.12Å; E1068-R1071 WeakPolarHBondContact O-CG 3.44Å; E1068-R1071 IonicContact OE1-CZ 3.24Å; E1068-R1071 IonicContact OE1-NE 2.88Å; E1068-R1071 PolarHBondContact OE1-NE 3.38Å; E1068-R1071 IonicContact OE1-NH2 3.79Å; E1068-R1071 PolarHBondContact OE1-NH2 2.93Å; E1068-R1071 IonicContact OE2-NE 2.71Å; E1068-R1071 IonicContact OE2-NH2 3Å; T1069-R1071 VanDerWaalsContact C-N 3.3Å; R1071-Y1073 VanDerWaalsContact C-N 3.29Å; R1071-Y1073 PolarHBondContact O-N 3.28Å; R1071-R1074 WeakPolarHBondContact CD-O 3.17Å; R1071-R1074 PolarHBondContact NH1-O 2.78Å; R1071-L1076 HydrophobicContact CG-CD1 4.24Å; R1071-E1088 IonicContact NH2-OE1 2.82Å; R1071-E1088 PolarHBondContact NH2-OE1 2.71Å; R1071-E1088 IonicContact NH2-OE2 3.94Å
1072V72.3Confident81.9Confident84 Ų8467.7 Ų67.751%0.50933%0.331SS..  trans-61.5-32.3-171.4-179.90000113.6M1067 L1070M1067-V1072 PolarHBondContact O-N 3.02Å; M1067-V1072 HydrophobicContact SD-CB 3.89Å; M1067-V1072 HydrophobicContact SD-CG1 4.3Å; M1067-V1072 HydrophobicContact SD-CG2 3.62Å; L1070-V1072 VanDerWaalsContact C-N 3.34Å; L1070-V1072 HydrophobicContact CB-CG2 4.06Å; L1070-V1072 PolarHBondContact O-N 3.18Å
1073Y73.6Confident81.2Confident171 Ų17172.1 Ų72.167%0.67136%0.358SS*.SBendtrans-101.1-33.4-171.2-65.8-73.6000115.8M1067 R1071M1067-Y1073 HydrophobicContact SD-CE2 4.19Å; R1071-Y1073 VanDerWaalsContact C-N 3.29Å; R1071-Y1073 PolarHBondContact O-N 3.28Å
1074R74.9Confident80.6Confident154 Ų15469 Ų6958%0.58135%0.354SS*.SBendtrans-142.7120.5179.9-102-168.5-112.6-149.8-3.1110R1071R1071-R1074 WeakPolarHBondContact CD-O 3.17Å; R1071-R1074 PolarHBondContact NH1-O 2.78Å
1075P79.4Confident80.1Confident43 Ų4369.7 Ų69.728%0.27936%0.359SS..  trans-65.4155178.928.7-34.2000111.3Y1077 E1078P1075-Y1077 VanDerWaalsContact C-N 3.26Å; P1075-Y1077 HydrophobicContact CB-CD1 3.93Å; P1075-Y1077 HydrophobicContact CB-CE1 3.5Å; P1075-Y1077 VanDerWaalsContact CB-CE1 3.5Å; P1075-Y1077 HydrophobicContact CG-CD1 4.37Å; P1075-Y1077 HydrophobicContact CG-CE1 3.74Å; P1075-Y1077 HydrophobicContact CG-CE2 4.22Å; P1075-Y1077 PolarHBondContact O-N 3.44Å; P1075-E1078 HydrophobicContact CG-CG 3.99Å; P1075-E1078 PolarHBondContact O-N 3.15Å
1076L77.7Confident79.9Confident35 Ų3574.2 Ų74.218%0.18339%0.388CS..G310 helixtrans-61.4-31.4-169.6-148.590.3000113.9R1071 E1078 H1153 L1156 N1160R1071-L1076 HydrophobicContact CG-CD1 4.24Å; L1076-E1078 VanDerWaalsContact C-N 3.3Å; L1076-E1078 PolarHBondContact O-N 3.03Å; L1076-H1153 WeakPolarHBondContact CD2-O 3.27Å; L1076-H1153 PolarHBondContact O-CE1 3.08Å; L1076-H1153 PolarHBondContact O-ND1 3.4Å; L1076-H1153 VanDerWaalsContact O-ND1 3.17Å; L1076-L1156 HydrophobicContact CD1-CB 4.34Å; L1076-L1156 HydrophobicContact CD2-CB 3.89Å; L1076-L1156 HydrophobicContact CG-CB 4.1Å; L1076-N1160 VanDerWaalsContact CD1-ND2 3.31Å; L1076-N1160 WeakPolarHBondContact CD1-ND2 3.2Å
1077Y78.6Confident79.7Confident165 Ų16574.3 Ų74.365%0.64739%0.389SS*.G310 helixtrans-76.2-13.2-175.962.6-98.6000113.8P1075 H1153P1075-Y1077 VanDerWaalsContact C-N 3.26Å; P1075-Y1077 HydrophobicContact CB-CD1 3.93Å; P1075-Y1077 HydrophobicContact CB-CE1 3.5Å; P1075-Y1077 VanDerWaalsContact CB-CE1 3.5Å; P1075-Y1077 HydrophobicContact CG-CD1 4.37Å; P1075-Y1077 HydrophobicContact CG-CE1 3.74Å; P1075-Y1077 HydrophobicContact CG-CE2 4.22Å; P1075-Y1077 PolarHBondContact O-N 3.44Å; Y1077-H1153 PolarHBondContact O-CE1 2.98Å
1078E80.4Confident79.6Confident99 Ų9972.9 Ų72.946%0.46338%0.382SS..G310 helixtrans-87.7-8.2177.9-71.2-179.8-179.500113.3P1075 L1076 T1080P1075-E1078 HydrophobicContact CG-CG 3.99Å; P1075-E1078 PolarHBondContact O-N 3.15Å; L1076-E1078 VanDerWaalsContact C-N 3.3Å; L1076-E1078 PolarHBondContact O-N 3.03Å; E1078-T1080 PolarHBondContact O-N 3.42Å; E1078-T1080 VanDerWaalsContact O-N 3.15Å
1079I76.9Confident79.6Confident13 Ų1378.1 Ų78.17%0.06740%0.404CS..  trans-83.499.6-174.6-49.8165.6000108.8F1133 L1156I1079-F1133 HydrophobicContact CG2-CZ 4.07Å; I1079-L1156 HydrophobicContact CB-CD1 4.29Å; I1079-L1156 HydrophobicContact CD1-CD1 4.39Å; I1079-L1156 HydrophobicContact CG2-CD1 4.4Å
1080T74Confident79.8Confident106 Ų10681.6 Ų81.665%0.6542%0.418SS*.  trans-105-16.8173.655.40000112.5E1078 L1149E1078-T1080 PolarHBondContact O-N 3.42Å; E1078-T1080 VanDerWaalsContact O-N 3.15Å; T1080-L1149 HydrophobicContact CG2-CD2 4.32Å
1081S78.8Confident80Confident55 Ų5575.3 Ų75.339%0.38538%0.384SS..  trans-92.4140.3-176.967.40000112.3V1083 F1133S1081-V1083 PolarHBondContact O-N 3.09Å; S1081-V1083 VanDerWaalsContact O-N 3.15Å; S1081-F1133 VanDerWaalsContact O-CZ 3.28Å; S1081-F1133 WeakPolarHBondContact O-CZ 3.25Å
1082P78Confident80.5Confident85 Ų8577.5 Ų77.555%0.55240%0.398SS*.SBendtrans-71.2-1.8170.630.7-35.6000113.5F1133P1082-F1133 HydrophobicContact CB-CB 4.03Å; P1082-F1133 HydrophobicContact CB-CD1 4.18Å; P1082-F1133 HydrophobicContact CB-CD2 4.09Å; P1082-F1133 HydrophobicContact CB-CG 3.83Å
1083V77.3Confident81.4Confident98 Ų9876.2 Ų76.259%0.59439%0.388SS*.SBendtrans-79.1124.2-176.9-171.90000109.3S1081S1081-V1083 PolarHBondContact O-N 3.09Å; S1081-V1083 VanDerWaalsContact O-N 3.15Å
1084P76.9Confident82.2Confident62 Ų6269.1 Ų69.140%0.40336%0.36SS..PPolyproline II helixtrans-64.6139.6177.825-32.2000110.6E1088P1084-E1088 WeakPolarHBondContact CA-OE2 3.29Å; P1084-E1088 HydrophobicContact CB-CB 3.87Å
1085T80.5Confident82.9Confident29 Ų2962.4 Ų62.418%0.17834%0.336CS..PPolyproline II helixtrans-61.9158.4171.258.50000110.8V1087 E1088 F1089T1085-V1087 PolarHBondContact O-N 3.46Å; T1085-V1087 VanDerWaalsContact O-N 3.13Å; T1085-E1088 PolarHBondContact N-OE2 3Å; T1085-E1088 PolarHBondContact O-N 2.62Å; T1085-E1088 VanDerWaalsContact OG1-CG 3.3Å; T1085-E1088 WeakPolarHBondContact OG1-CG 3.47Å; T1085-E1088 PolarHBondContact OG1-N 3.21Å; T1085-E1088 PolarHBondContact OG1-OE2 2.89Å; T1085-F1089 PolarHBondContact O-N 3.03Å
1086P85.2Confident83.4Confident96 Ų9662.1 Ų62.162%0.62334%0.335SS*.Hα-helixtrans-54.3-35.8177.2-25.233.7000112.6F1089 F1090P1086-F1089 PolarHBondContact O-N 3.25Å; P1086-F1090 WeakPolarHBondContact O-CD2 3.37Å; P1086-F1090 PolarHBondContact O-N 3.38Å
1087V87.3Confident83.9Confident30 Ų3060.5 Ų60.518%0.18233%0.326CS..Hα-helixtrans-65.6-47176.2-1780000110.9L1064 M1067 E1068 T1085 F1089 F1090 L1091L1064-V1087 HydrophobicContact CD2-CG1 4.22Å; M1067-V1087 HydrophobicContact CB-CG1 4.4Å; E1068-V1087 HydrophobicContact CB-CG1 4.47Å; T1085-V1087 PolarHBondContact O-N 3.46Å; T1085-V1087 VanDerWaalsContact O-N 3.13Å; V1087-F1089 VanDerWaalsContact C-N 3.27Å; V1087-F1089 PolarHBondContact O-N 3.21Å; V1087-F1090 PolarHBondContact O-N 3.33Å; V1087-L1091 VanDerWaalsContact O-CB 3.31Å; V1087-L1091 WeakPolarHBondContact O-CB 3.38Å; V1087-L1091 PolarHBondContact O-N 3.05Å
1088E85.4Confident84.3Confident9 Ų953.9 Ų53.94%0.04230%0.301CS..Hα-helixtrans-61.5-35.9174.9-73.7165.4144.900112E1068 R1071 P1084 T1085 L1091 L1092 H1129 K1159E1068-E1088 HydrophobicContact CG-CG 4.49Å; R1071-E1088 IonicContact NH2-OE1 2.82Å; R1071-E1088 PolarHBondContact NH2-OE1 2.71Å; R1071-E1088 IonicContact NH2-OE2 3.94Å; P1084-E1088 WeakPolarHBondContact CA-OE2 3.29Å; P1084-E1088 HydrophobicContact CB-CB 3.87Å; T1085-E1088 PolarHBondContact N-OE2 3Å; T1085-E1088 PolarHBondContact O-N 2.62Å; T1085-E1088 VanDerWaalsContact OG1-CG 3.3Å; T1085-E1088 WeakPolarHBondContact OG1-CG 3.47Å; T1085-E1088 PolarHBondContact OG1-N 3.21Å; T1085-E1088 PolarHBondContact OG1-OE2 2.89Å; E1088-L1091 PolarHBondContact O-N 3.2Å; E1088-L1092 VanDerWaalsContact O-CB 3.31Å; E1088-L1092 WeakPolarHBondContact O-CB 3.47Å; E1088-L1092 PolarHBondContact O-N 3.17Å; E1088-H1129 IonicContact OE1-CE1 3.77Å; E1088-H1129 IonicContact OE1-ND1 3.22Å; E1088-K1159 IonicContact OE1-NZ 3.91Å; E1088-K1159 PolarHBondContact OE1-NZ 3.44Å
1089F87Confident84.6Confident115 Ų11553.1 Ų53.150%0.50430%0.3SS..Hα-helixtrans-65.6-47.8175-175.8-93000111.9T1085 P1086 V1087 L1091 L1092 L1093T1085-F1089 PolarHBondContact O-N 3.03Å; P1086-F1089 PolarHBondContact O-N 3.25Å; V1087-F1089 VanDerWaalsContact C-N 3.27Å; V1087-F1089 PolarHBondContact O-N 3.21Å; F1089-L1091 VanDerWaalsContact C-N 3.31Å; F1089-L1091 PolarHBondContact O-N 3.3Å; F1089-L1092 PolarHBondContact O-N 3.49Å; F1089-L1093 PolarHBondContact O-N 3.12Å
1090F89.4Confident84.9Confident99 Ų9954.5 Ų54.543%0.43431%0.308SS..Hα-helixtrans-63.6-38.3174.4-74.7-62.5000111.7L1064 P1086 V1087 L1092 L1093 W1094L1064-F1090 HydrophobicContact CD1-CB 4.09Å; L1064-F1090 HydrophobicContact CD2-CB 4.4Å; P1086-F1090 WeakPolarHBondContact O-CD2 3.37Å; P1086-F1090 PolarHBondContact O-N 3.38Å; V1087-F1090 PolarHBondContact O-N 3.33Å; F1090-L1092 PolarHBondContact O-N 3.17Å; F1090-L1093 WeakPolarHBondContact O-CB 3.44Å; F1090-L1093 PolarHBondContact O-N 3.02Å; F1090-W1094 HydrophobicContact CD1-CZ3 4.34Å; F1090-W1094 PolarHBondContact O-N 2.94Å
1091L89.2Confident85.2Confident1 Ų151 Ų511%0.00529%0.291CS..Hα-helixtrans-61.2-45174.8-17274.2000110.9F1061 L1064 L1065 E1068 V1087 E1088 F1089 L1093 W1094 L1095 F1163F1061-L1091 HydrophobicContact CD2-CD1 4.19Å; F1061-L1091 HydrophobicContact CE2-CD1 3.75Å; L1064-L1091 HydrophobicContact CB-CD1 4.35Å; L1065-L1091 HydrophobicContact CB-CD1 4.35Å; L1065-L1091 HydrophobicContact CD1-CD1 3.9Å; L1065-L1091 HydrophobicContact CG-CD1 4.01Å; E1068-L1091 HydrophobicContact CG-CD2 4.45Å; V1087-L1091 VanDerWaalsContact O-CB 3.31Å; V1087-L1091 WeakPolarHBondContact O-CB 3.38Å; V1087-L1091 PolarHBondContact O-N 3.05Å; E1088-L1091 PolarHBondContact O-N 3.2Å; F1089-L1091 VanDerWaalsContact C-N 3.31Å; F1089-L1091 PolarHBondContact O-N 3.3Å; L1091-L1093 VanDerWaalsContact C-N 3.32Å; L1091-L1093 PolarHBondContact O-N 2.93Å; L1091-W1094 PolarHBondContact O-N 2.85Å; L1091-L1095 HydrophobicContact CD2-CD1 4.47Å; L1091-L1095 HydrophobicContact CG-CD1 4.07Å; L1091-L1095 HydrophobicContact CG-CG 4.48Å; L1091-L1095 WeakPolarHBondContact O-CB 3.14Å; L1091-L1095 VanDerWaalsContact O-CG 3.24Å; L1091-L1095 WeakPolarHBondContact O-CG 3.3Å; L1091-L1095 PolarHBondContact O-N 2.96Å; L1091-F1163 HydrophobicContact CD2-CD1 4.34Å; L1091-F1163 HydrophobicContact CD2-CE1 3.88Å; L1091-F1163 HydrophobicContact CD2-CE2 4.16Å; L1091-F1163 HydrophobicContact CD2-CZ 3.78Å
1092L88.2Confident85.3Confident79 Ų7950.4 Ų50.441%0.41428%0.282SS..Hα-helixtrans-63.4-37.9175.5-177149000111.6E1088 F1089 F1090 L1095 S1096 M1126E1088-L1092 VanDerWaalsContact O-CB 3.31Å; E1088-L1092 WeakPolarHBondContact O-CB 3.47Å; E1088-L1092 PolarHBondContact O-N 3.17Å; F1089-L1092 PolarHBondContact O-N 3.49Å; F1090-L1092 PolarHBondContact O-N 3.17Å; L1092-L1095 PolarHBondContact O-N 3.48Å; L1092-S1096 WeakPolarHBondContact O-CB 3.4Å; L1092-S1096 PolarHBondContact O-N 3.42Å; L1092-S1096 PolarHBondContact O-OG 2.95Å; L1092-M1126 HydrophobicContact CB-CE 4.46Å; L1092-M1126 HydrophobicContact CD1-CE 3.3Å; L1092-M1126 HydrophobicContact CG-CE 4.3Å
1093L89.9Confident85.3Confident56 Ų5651.6 Ų51.629%0.29328%0.283SS..Hα-helixtrans-63.9-42.2173.5-16973.9000111.4F1089 F1090 L1091 S1096 G1097 P1330 I1333F1089-L1093 PolarHBondContact O-N 3.12Å; F1090-L1093 WeakPolarHBondContact O-CB 3.44Å; F1090-L1093 PolarHBondContact O-N 3.02Å; L1091-L1093 VanDerWaalsContact C-N 3.32Å; L1091-L1093 PolarHBondContact O-N 2.93Å; L1093-S1096 WeakPolarHBondContact CA-OG 3.36Å; L1093-S1096 PolarHBondContact O-OG 3.18Å; L1093-G1097 PolarHBondContact O-N 3.41Å; L1093-P1330 HydrophobicContact CD2-CB 3.97Å; L1093-P1330 HydrophobicContact CD2-CG 3.97Å; L1093-P1330 HydrophobicContact CG-CB 3.73Å; L1093-P1330 HydrophobicContact CG-CG 4.27Å; L1093-P1330 WeakPolarHBondContact O-CB 3.35Å; L1093-I1333 HydrophobicContact CD1-CD1 3.86Å; L1093-I1333 HydrophobicContact CG-CD1 4.3Å; L1093-I1333 WeakPolarHBondContact O-CD1 3.45Å
1094W92.2Very high85.1Confident22 Ų2249.5 Ų49.58%0.08327%0.273CS..Hα-helixtrans-66.8-41.9175.1-108.2-98.5000112.5W1032 S1057 L1060 F1061 L1064 F1090 L1091 G1097 K1098 A1329 P1330W1032-W1094 AromaticContact CH2-CH2 3.68Å; W1032-W1094 HydrophobicContact CH2-CH2 3.68Å; W1032-W1094 AromaticContact CH2-CZ2 3.43Å; W1032-W1094 HydrophobicContact CH2-CZ2 3.43Å; W1032-W1094 VanDerWaalsContact CH2-CZ2 3.43Å; W1032-W1094 HydrophobicContact CZ2-CZ2 4.09Å; W1032-W1094 HydrophobicContact CZ3-CH2 4.03Å; W1032-W1094 HydrophobicContact CZ3-CZ2 4.12Å; S1057-W1094 PolarHBondContact O-NE1 3.43Å; L1060-W1094 HydrophobicContact CB-CZ2 4.14Å; L1060-W1094 HydrophobicContact CD1-CZ2 4.46Å; F1061-W1094 HydrophobicContact CB-CG 4.42Å; F1061-W1094 HydrophobicContact CD2-CB 3.7Å; F1061-W1094 AromaticContact CD2-CD1 3.71Å; F1061-W1094 AromaticContact CD2-CG 3.93Å; F1061-W1094 HydrophobicContact CD2-CG 3.93Å; F1061-W1094 HydrophobicContact CE2-CB 4.12Å; F1061-W1094 AromaticContact CG-CD1 3.96Å; L1064-W1094 HydrophobicContact CD1-CD2 4.07Å; L1064-W1094 HydrophobicContact CD1-CE3 3.91Å; L1064-W1094 HydrophobicContact CD1-CZ3 4.18Å; F1090-W1094 HydrophobicContact CD1-CZ3 4.34Å; F1090-W1094 PolarHBondContact O-N 2.94Å; L1091-W1094 PolarHBondContact O-N 2.85Å; W1094-G1097 CarbonylContact O-C 3.51Å; W1094-G1097 PolarHBondContact O-N 2.81Å; W1094-K1098 PolarHBondContact O-N 2.84Å; W1094-A1329 PolarHBondContact NE1-O 3.38Å; W1094-P1330 HydrophobicContact CD2-CB 4.35Å; W1094-P1330 HydrophobicContact CD2-CG 3.81Å; W1094-P1330 VanDerWaalsContact CE2-CD 3.42Å; W1094-P1330 HydrophobicContact CE3-CB 4.21Å; W1094-P1330 HydrophobicContact CE3-CG 3.51Å; W1094-P1330 HydrophobicContact CH2-CG 3.87Å; W1094-P1330 HydrophobicContact CZ2-CG 4.16Å; W1094-P1330 HydrophobicContact CZ3-CG 3.54Å
1095L89.5Confident84.6Confident13 Ų1350.1 Ų50.17%0.06827%0.27CS..Hα-helixtrans-66.2-43.1178.1-73.5170.3000111.6F1061 L1091 L1092 G1097 K1098 L1099 T1118 L1119 S1122 F1163F1061-L1095 HydrophobicContact CE2-CD2 3.93Å; F1061-L1095 HydrophobicContact CE2-CG 4.19Å; F1061-L1095 HydrophobicContact CZ-CD2 3.76Å; L1091-L1095 HydrophobicContact CD2-CD1 4.47Å; L1091-L1095 HydrophobicContact CG-CD1 4.07Å; L1091-L1095 HydrophobicContact CG-CG 4.48Å; L1091-L1095 WeakPolarHBondContact O-CB 3.14Å; L1091-L1095 VanDerWaalsContact O-CG 3.24Å; L1091-L1095 WeakPolarHBondContact O-CG 3.3Å; L1091-L1095 PolarHBondContact O-N 2.96Å; L1092-L1095 PolarHBondContact O-N 3.48Å; L1095-G1097 VanDerWaalsContact C-N 3.28Å; L1095-G1097 PolarHBondContact O-N 3.21Å; L1095-K1098 PolarHBondContact O-N 2.71Å; L1095-L1099 WeakPolarHBondContact O-CB 3.26Å; L1095-L1099 PolarHBondContact O-N 2.9Å; L1095-T1118 HydrophobicContact CD2-CG2 4.5Å; L1095-L1119 WeakPolarHBondContact O-CD2 3.49Å; L1095-S1122 WeakPolarHBondContact CD2-OG 3.43Å; L1095-F1163 HydrophobicContact CD1-CE1 4.36Å
1096S89.3Confident83.5Confident38 Ų3854.2 Ų54.227%0.26629%0.289SS..Hα-helixtrans-64.1-35.3171.654.60000111.5L1092 L1093 L1099 V1100 I1333L1092-S1096 WeakPolarHBondContact O-CB 3.4Å; L1092-S1096 PolarHBondContact O-N 3.42Å; L1092-S1096 PolarHBondContact O-OG 2.95Å; L1093-S1096 WeakPolarHBondContact CA-OG 3.36Å; L1093-S1096 PolarHBondContact O-OG 3.18Å; S1096-L1099 WeakPolarHBondContact O-CB 3.32Å; S1096-L1099 PolarHBondContact O-N 3.2Å; S1096-V1100 WeakPolarHBondContact O-CB 3.38Å; S1096-V1100 VanDerWaalsContact O-CG2 3.31Å; S1096-V1100 WeakPolarHBondContact O-CG2 3.48Å; S1096-V1100 PolarHBondContact O-N 3.39Å; S1096-I1333 WeakPolarHBondContact OG-CD1 3.11Å
1097G88.4Confident81.9Confident0 Ų056.5 Ų56.50%030%0.296CS..Hα-helixtrans-64.3-45.317400000111.9L1093 W1094 L1095 V1100 A1101 N1332L1093-G1097 PolarHBondContact O-N 3.41Å; W1094-G1097 CarbonylContact O-C 3.51Å; W1094-G1097 PolarHBondContact O-N 2.81Å; L1095-G1097 VanDerWaalsContact C-N 3.28Å; L1095-G1097 PolarHBondContact O-N 3.21Å; G1097-V1100 PolarHBondContact O-N 3.31Å; G1097-A1101 WeakPolarHBondContact O-CB 3.43Å; G1097-A1101 PolarHBondContact O-N 3.46Å; G1097-N1332 WeakPolarHBondContact CA-OD1 3.38Å; G1097-N1332 PolarHBondContact O-ND2 3.07Å
1098K86.1Confident80.4Confident27 Ų2756.5 Ų56.512%0.11730%0.302CS..Hα-helixtrans-62.7-40.3172.9-93.5-141.8176.3-171.90111.9W1094 L1095 A1101 E1102 L1119 A1329W1094-K1098 PolarHBondContact O-N 2.84Å; L1095-K1098 PolarHBondContact O-N 2.71Å; K1098-A1101 WeakPolarHBondContact O-CB 3.49Å; K1098-A1101 PolarHBondContact O-N 3.23Å; K1098-E1102 PolarHBondContact O-N 3.49Å; K1098-L1119 HydrophobicContact CB-CD2 4.19Å; K1098-A1329 HydrophobicContact CG-CB 4.22Å
1099L86.7Confident78.5Confident82 Ų8263.8 Ų63.843%0.42933%0.334SS..Hα-helixtrans-60.1-48.5175.5-17489.3000110.9L1095 S1096 A1101 E1102 L1103 L1119L1095-L1099 WeakPolarHBondContact O-CB 3.26Å; L1095-L1099 PolarHBondContact O-N 2.9Å; S1096-L1099 WeakPolarHBondContact O-CB 3.32Å; S1096-L1099 PolarHBondContact O-N 3.2Å; L1099-A1101 VanDerWaalsContact C-N 3.3Å; L1099-A1101 PolarHBondContact O-N 3.49Å; L1099-E1102 PolarHBondContact O-N 3.09Å; L1099-L1103 HydrophobicContact CD2-CD1 4.09Å; L1099-L1103 HydrophobicContact CG-CD1 3.88Å; L1099-L1103 WeakPolarHBondContact O-CB 3.49Å; L1099-L1103 WeakPolarHBondContact O-CG 3.36Å; L1099-L1103 PolarHBondContact O-N 3.42Å; L1099-L1119 HydrophobicContact CB-CD2 3.99Å; L1099-L1119 HydrophobicContact CD1-CD1 4.25Å; L1099-L1119 HydrophobicContact CD1-CD2 4.26Å
1100V84.8Confident76.8Confident42 Ų4264.4 Ų64.426%0.25535%0.347SS..Hα-helixtrans-62.8-39.1177.8170.10000110.8S1096 G1097 L1103 S1104 K1336S1096-V1100 WeakPolarHBondContact O-CB 3.38Å; S1096-V1100 VanDerWaalsContact O-CG2 3.31Å; S1096-V1100 WeakPolarHBondContact O-CG2 3.48Å; S1096-V1100 PolarHBondContact O-N 3.39Å; G1097-V1100 PolarHBondContact O-N 3.31Å; V1100-L1103 PolarHBondContact O-N 3.27Å; V1100-S1104 VanDerWaalsContact O-CB 3.27Å; V1100-S1104 WeakPolarHBondContact O-CB 3.41Å; V1100-S1104 PolarHBondContact O-N 2.78Å; V1100-S1104 PolarHBondContact O-OG 3.21Å; V1100-K1336 HydrophobicContact CG1-CD 3.53Å
1101A80Confident75.3Confident34 Ų3461.9 Ų61.928%0.28134%0.342SS..Hα-helixtrans-61.6-46.6176.300000111.7G1097 K1098 L1099 S1104 Q1105G1097-A1101 WeakPolarHBondContact O-CB 3.43Å; G1097-A1101 PolarHBondContact O-N 3.46Å; K1098-A1101 WeakPolarHBondContact O-CB 3.49Å; K1098-A1101 PolarHBondContact O-N 3.23Å; L1099-A1101 VanDerWaalsContact C-N 3.3Å; L1099-A1101 PolarHBondContact O-N 3.49Å; A1101-S1104 PolarHBondContact O-N 2.96Å; A1101-Q1105 PolarHBondContact O-N 3.24Å; A1101-Q1105 VanDerWaalsContact O-N 3.08Å
1102E79.2Confident74.2Confident41 Ų4164.1 Ų64.119%0.19235%0.35CS..Hα-helixtrans-65.7-41.8177.1-77.4-61.1154.700112.9K1098 L1099 S1104 Q1105 M1106 R1112 S1115 L1119K1098-E1102 PolarHBondContact O-N 3.49Å; L1099-E1102 PolarHBondContact O-N 3.09Å; E1102-S1104 PolarHBondContact O-N 3.13Å; E1102-Q1105 CarbonylContact O-C 3.58Å; E1102-Q1105 PolarHBondContact O-N 3.05Å; E1102-Q1105 VanDerWaalsContact O-O 3.12Å; E1102-M1106 WeakPolarHBondContact O-CE 3.22Å; E1102-R1112 WeakPolarHBondContact OE2-CG 3.22Å; E1102-S1115 VanDerWaalsContact CD-OG 3.25Å; E1102-S1115 WeakPolarHBondContact CG-OG 3.4Å; E1102-S1115 WeakPolarHBondContact OE1-CB 3.42Å; E1102-S1115 PolarHBondContact OE1-OG 3.45Å; E1102-L1119 HydrophobicContact CB-CD1 4.25Å; E1102-L1119 HydrophobicContact CG-CD1 3.91Å
1103L79.2Confident73.6Confident111 Ų11167.2 Ų67.258%0.58136%0.36SS*.Hα-helixtrans-66.6-29.1177.6-71.4167.2000112.2L1099 V1100 M1106L1099-L1103 HydrophobicContact CD2-CD1 4.09Å; L1099-L1103 HydrophobicContact CG-CD1 3.88Å; L1099-L1103 WeakPolarHBondContact O-CB 3.49Å; L1099-L1103 WeakPolarHBondContact O-CG 3.36Å; L1099-L1103 PolarHBondContact O-N 3.42Å; V1100-L1103 PolarHBondContact O-N 3.27Å; L1103-M1106 HydrophobicContact CD2-CE 4.44Å
1104S73.6Confident72.9Confident54 Ų5465.3 Ų65.338%0.37835%0.352SS..Hα-helixtrans-80.4-24.2177.8-55.80000113V1100 A1101 E1102 K1336V1100-S1104 VanDerWaalsContact O-CB 3.27Å; V1100-S1104 WeakPolarHBondContact O-CB 3.41Å; V1100-S1104 PolarHBondContact O-N 2.78Å; V1100-S1104 PolarHBondContact O-OG 3.21Å; A1101-S1104 PolarHBondContact O-N 2.96Å; E1102-S1104 PolarHBondContact O-N 3.13Å; S1104-K1336 WeakPolarHBondContact OG-CE 3.28Å; S1104-K1336 PolarHBondContact OG-NZ 3.04Å
1105Q66.3Low72.2Confident74 Ų7464.6 Ų64.635%0.34635%0.35SS..  trans-112.291.6-177.2-71.3-174.2-19.600110.2A1101 E1102 D1107 K1324A1101-Q1105 PolarHBondContact O-N 3.24Å; A1101-Q1105 VanDerWaalsContact O-N 3.08Å; E1102-Q1105 CarbonylContact O-C 3.58Å; E1102-Q1105 PolarHBondContact O-N 3.05Å; E1102-Q1105 VanDerWaalsContact O-O 3.12Å; Q1105-D1107 PolarHBondContact O-N 3.22Å; Q1105-D1107 VanDerWaalsContact O-N 3.17Å; Q1105-K1324 VanDerWaalsContact CD-CE 3.46Å; Q1105-K1324 VanDerWaalsContact NE2-CE 3.29Å
1106M56.9Low71.9Confident115 Ų11568.5 Ų68.557%0.56737%0.371SS*.  trans-80.713-177.4-77.4-76.1130.700114.5E1102 L1103 R1112E1102-M1106 WeakPolarHBondContact O-CE 3.22Å; L1103-M1106 HydrophobicContact CD2-CE 4.44Å; M1106-R1112 PolarHBondContact O-NH2 3.38Å; M1106-R1112 PolarHBondContact SD-NH2 3.02Å
1107D52Low71.8Confident145 Ų14569.2 Ų69.278%0.77537%0.369SS*.  trans-113.1117.8-173.4-66.3-24.7000113.8Q1105Q1105-D1107 PolarHBondContact O-N 3.22Å; Q1105-D1107 VanDerWaalsContact O-N 3.17Å
1108G55.2Low71.7Confident30 Ų3069.4 Ų69.431%0.30937%0.37SS..  trans109.8111.2166.100000115.3S1111 R1112G1108-S1111 PolarHBondContact O-OG 3.37Å; G1108-R1112 WeakPolarHBondContact O-CB 3.46Å; G1108-R1112 WeakPolarHBondContact O-CD 3.35Å; G1108-R1112 WeakPolarHBondContact O-CG 3.46Å
1109F46.1Very low71.8Confident161 Ų16169 Ų6971%0.70637%0.369SS*.Hα-helixtrans-76.9-27.1-177.7-157-89000114.1R1112 F1113F1109-R1112 WeakPolarHBondContact O-CB 3.45Å; F1109-R1112 PolarHBondContact O-N 2.94Å; F1109-F1113 PolarHBondContact O-N 3.04Å
1110T51.2Low71.9Confident128 Ų12870 Ų7079%0.78537%0.374SS*.Hα-helixtrans-77.5-44.5-172.952.70000112.6R1112 F1113T1110-R1112 PolarHBondContact O-N 3.19Å; T1110-F1113 PolarHBondContact O-N 3.05Å
1111S58.5Low72.2Confident46 Ų4670.7 Ų70.732%0.32237%0.374SS..Hα-helixtrans-65.4-28.1172.354.30000111.3G1108 F1113 S1114G1108-S1111 PolarHBondContact O-OG 3.37Å; S1111-F1113 VanDerWaalsContact C-N 3.31Å; S1111-F1113 PolarHBondContact O-N 3.33Å; S1111-S1114 PolarHBondContact O-OG 3.24Å
1112R65.7Low72.6Confident49 Ų4969.3 Ų69.319%0.18536%0.362CS..Hα-helixtrans-63.7-30.5175.8-89.8-179.6-173.9167.13.7113.9E1102 M1106 G1108 F1109 T1110 S1114 S1115 L1116E1102-R1112 WeakPolarHBondContact OE2-CG 3.22Å; M1106-R1112 PolarHBondContact O-NH2 3.38Å; M1106-R1112 PolarHBondContact SD-NH2 3.02Å; G1108-R1112 WeakPolarHBondContact O-CB 3.46Å; G1108-R1112 WeakPolarHBondContact O-CD 3.35Å; G1108-R1112 WeakPolarHBondContact O-CG 3.46Å; F1109-R1112 WeakPolarHBondContact O-CB 3.45Å; F1109-R1112 PolarHBondContact O-N 2.94Å; T1110-R1112 PolarHBondContact O-N 3.19Å; R1112-S1114 PolarHBondContact O-N 3Å; R1112-S1115 PolarHBondContact O-N 3.01Å; R1112-L1116 HydrophobicContact CB-CD1 4.09Å; R1112-L1116 WeakPolarHBondContact O-CA 3.32Å; R1112-L1116 WeakPolarHBondContact O-CB 3.46Å; R1112-L1116 PolarHBondContact O-N 3.24Å
1113F74.8Confident73Confident143 Ų14370.2 Ų70.263%0.62737%0.373SS*.Hα-helixtrans-65.3-45.1-173.9-171.4-94000111.7F1109 T1110 S1111 F1117F1109-F1113 PolarHBondContact O-N 3.04Å; T1110-F1113 PolarHBondContact O-N 3.05Å; S1111-F1113 VanDerWaalsContact C-N 3.31Å; S1111-F1113 PolarHBondContact O-N 3.33Å; F1113-F1117 WeakPolarHBondContact O-CB 3.06Å; F1113-F1117 PolarHBondContact O-N 3.14Å
1114S75.1Confident73.5Confident17 Ų1767.9 Ų67.912%0.11936%0.364CS..Hα-helixtrans-66.2-41.317858.80000111.4S1111 R1112 F1117 T1118 H1173 E1176S1111-S1114 PolarHBondContact O-OG 3.24Å; R1112-S1114 PolarHBondContact O-N 3Å; S1114-F1117 PolarHBondContact O-N 2.84Å; S1114-T1118 WeakPolarHBondContact O-CB 2.97Å; S1114-T1118 PolarHBondContact O-N 3.45Å; S1114-T1118 PolarHBondContact O-OG1 3.25Å; S1114-H1173 PolarHBondContact OG-ND1 3.23Å; S1114-E1176 PolarHBondContact OG-OE1 3.2Å
1115S78.3Confident74.2Confident7 Ų765.3 Ų65.35%0.04935%0.346CS..Hα-helixtrans-69-45.8179-156.60000112.6E1102 R1112 F1117 T1118 L1119E1102-S1115 VanDerWaalsContact CD-OG 3.25Å; E1102-S1115 WeakPolarHBondContact CG-OG 3.4Å; E1102-S1115 WeakPolarHBondContact OE1-CB 3.42Å; E1102-S1115 PolarHBondContact OE1-OG 3.45Å; R1112-S1115 PolarHBondContact O-N 3.01Å; S1115-F1117 PolarHBondContact O-N 2.91Å; S1115-T1118 WeakPolarHBondContact O-CB 3.31Å; S1115-T1118 PolarHBondContact O-N 3.25Å; S1115-L1119 WeakPolarHBondContact O-CB 3.49Å; S1115-L1119 VanDerWaalsContact O-CG 3.32Å; S1115-L1119 WeakPolarHBondContact O-CG 3.47Å; S1115-L1119 PolarHBondContact O-N 2.71Å
1116L82.8Confident75.2Confident95 Ų9563.8 Ų63.850%0.49734%0.339SS..Hα-helixtrans-62.3-41.2173-89.8157.1000111.4R1112 T1118 L1119 L1120R1112-L1116 HydrophobicContact CB-CD1 4.09Å; R1112-L1116 WeakPolarHBondContact O-CA 3.32Å; R1112-L1116 WeakPolarHBondContact O-CB 3.46Å; R1112-L1116 PolarHBondContact O-N 3.24Å; L1116-T1118 VanDerWaalsContact C-N 3.32Å; L1116-T1118 PolarHBondContact O-N 3.19Å; L1116-L1119 PolarHBondContact O-N 3.22Å; L1116-L1120 WeakPolarHBondContact O-CA 3.41Å; L1116-L1120 WeakPolarHBondContact O-CB 3.3Å; L1116-L1120 PolarHBondContact O-N 3.39Å
1117F86.5Confident76.6Confident53 Ų5362.8 Ų62.823%0.23234%0.339CS..Hα-helixtrans-60.7-46.7175.5-172.2-80.2000110.4F1113 S1114 S1115 L1119 L1120 F1121 V1169F1113-F1117 WeakPolarHBondContact O-CB 3.06Å; F1113-F1117 PolarHBondContact O-N 3.14Å; S1114-F1117 PolarHBondContact O-N 2.84Å; S1115-F1117 PolarHBondContact O-N 2.91Å; F1117-L1119 PolarHBondContact O-N 2.93Å; F1117-L1120 PolarHBondContact O-N 3.2Å; F1117-F1121 AromaticContact CD1-CD2 3.83Å; F1117-F1121 HydrophobicContact CD1-CD2 3.83Å; F1117-F1121 HydrophobicContact CD1-CE2 4.28Å; F1117-F1121 HydrophobicContact CD1-CG 4.34Å; F1117-F1121 AromaticContact CD2-CD2 3.88Å; F1117-F1121 HydrophobicContact CD2-CD2 3.88Å; F1117-F1121 AromaticContact CD2-CE2 3.58Å; F1117-F1121 HydrophobicContact CD2-CE2 3.58Å; F1117-F1121 HydrophobicContact CD2-CZ 4.48Å; F1117-F1121 HydrophobicContact CE1-CD1 4.35Å; F1117-F1121 AromaticContact CE1-CD2 3.64Å; F1117-F1121 HydrophobicContact CE1-CD2 3.64Å; F1117-F1121 AromaticContact CE1-CE2 3.9Å; F1117-F1121 HydrophobicContact CE1-CE2 3.9Å; F1117-F1121 AromaticContact CE1-CG 3.9Å; F1117-F1121 HydrophobicContact CE1-CG 3.9Å; F1117-F1121 HydrophobicContact CE1-CZ 4.36Å; F1117-F1121 AromaticContact CE2-CD2 3.71Å; F1117-F1121 HydrophobicContact CE2-CD2 3.71Å; F1117-F1121 AromaticContact CE2-CE2 3.13Å; F1117-F1121 HydrophobicContact CE2-CE2 3.13Å; F1117-F1121 AromaticContact CE2-CZ 3.62Å; F1117-F1121 HydrophobicContact CE2-CZ 3.62Å; F1117-F1121 AromaticContact CG-CD2 3.94Å; F1117-F1121 HydrophobicContact CG-CD2 3.94Å; F1117-F1121 HydrophobicContact CG-CE2 4.14Å; F1117-F1121 HydrophobicContact CZ-CD1 4.22Å; F1117-F1121 AromaticContact CZ-CD2 3.58Å; F1117-F1121 HydrophobicContact CZ-CD2 3.58Å; F1117-F1121 AromaticContact CZ-CE1 4Å; F1117-F1121 HydrophobicContact CZ-CE1 4Å; F1117-F1121 AromaticContact CZ-CE2 3.31Å; F1117-F1121 HydrophobicContact CZ-CE2 3.31Å; F1117-F1121 HydrophobicContact CZ-CG 4.05Å; F1117-F1121 AromaticContact CZ-CZ 3.54Å; F1117-F1121 HydrophobicContact CZ-CZ 3.54Å; F1117-F1121 WeakPolarHBondContact O-CB 3.07Å; F1117-F1121 WeakPolarHBondContact O-CD2 3.23Å; F1117-F1121 PolarHBondContact O-N 3.25Å; F1117-V1169 HydrophobicContact CD1-CB 4.1Å; F1117-V1169 HydrophobicContact CD1-CG1 4.23Å; F1117-V1169 HydrophobicContact CD1-CG2 3.55Å; F1117-V1169 HydrophobicContact CE1-CB 4.41Å; F1117-V1169 HydrophobicContact CE1-CG2 3.52Å; F1117-V1169 HydrophobicContact CG-CG2 4.35Å; F1117-V1169 HydrophobicContact CZ-CG2 4.29Å
1118T86.6Confident78.4Confident3 Ų357.2 Ų57.22%0.01831%0.309CS..Hα-helixtrans-57.3-48.7175.9-52.70000110.6F1061 L1095 S1114 S1115 L1116 S1122 V1166 T1170F1061-T1118 HydrophobicContact CE1-CG2 4.01Å; F1061-T1118 HydrophobicContact CZ-CG2 4.02Å; L1095-T1118 HydrophobicContact CD2-CG2 4.5Å; S1114-T1118 WeakPolarHBondContact O-CB 2.97Å; S1114-T1118 PolarHBondContact O-N 3.45Å; S1114-T1118 PolarHBondContact O-OG1 3.25Å; S1115-T1118 WeakPolarHBondContact O-CB 3.31Å; S1115-T1118 PolarHBondContact O-N 3.25Å; L1116-T1118 VanDerWaalsContact C-N 3.32Å; L1116-T1118 PolarHBondContact O-N 3.19Å; T1118-S1122 WeakPolarHBondContact O-CB 3.36Å; T1118-S1122 PolarHBondContact O-N 3.25Å; T1118-S1122 PolarHBondContact O-OG 3.48Å; T1118-V1166 HydrophobicContact CG2-CG1 3.49Å; T1118-V1166 VanDerWaalsContact CG2-CG1 3.49Å; T1118-T1170 HydrophobicContact CG2-CG2 4.46Å
1119L88.3Confident79.9Confident20 Ų2056.4 Ų56.411%0.10530%0.297CS..Hα-helixtrans-70.3-39.4-178-71.1169.7000112.8L1095 K1098 L1099 E1102 S1115 L1116 F1117 S1122 S1123L1095-L1119 WeakPolarHBondContact O-CD2 3.49Å; K1098-L1119 HydrophobicContact CB-CD2 4.19Å; L1099-L1119 HydrophobicContact CB-CD2 3.99Å; L1099-L1119 HydrophobicContact CD1-CD1 4.25Å; L1099-L1119 HydrophobicContact CD1-CD2 4.26Å; E1102-L1119 HydrophobicContact CB-CD1 4.25Å; E1102-L1119 HydrophobicContact CG-CD1 3.91Å; S1115-L1119 WeakPolarHBondContact O-CB 3.49Å; S1115-L1119 VanDerWaalsContact O-CG 3.32Å; S1115-L1119 WeakPolarHBondContact O-CG 3.47Å; S1115-L1119 PolarHBondContact O-N 2.71Å; L1116-L1119 PolarHBondContact O-N 3.22Å; F1117-L1119 PolarHBondContact O-N 2.93Å; L1119-S1122 WeakPolarHBondContact CA-OG 3.48Å; L1119-S1122 PolarHBondContact O-OG 3.45Å; L1119-S1122 VanDerWaalsContact O-OG 3.05Å; L1119-S1123 WeakPolarHBondContact O-CB 3.3Å; L1119-S1123 PolarHBondContact O-N 3.34Å; L1119-S1123 PolarHBondContact O-OG 3.33Å
1120L89.4Confident81.8Confident102 Ų10253.3 Ų53.353%0.53429%0.287SS..Hα-helixtrans-65.5-57.3178.4-175.487.5000109.9L1116 F1117 S1122 S1123 V1124L1116-L1120 WeakPolarHBondContact O-CA 3.41Å; L1116-L1120 WeakPolarHBondContact O-CB 3.3Å; L1116-L1120 PolarHBondContact O-N 3.39Å; F1117-L1120 PolarHBondContact O-N 3.2Å; L1120-S1122 VanDerWaalsContact C-N 3.31Å; L1120-S1122 PolarHBondContact O-N 3.39Å; L1120-S1123 PolarHBondContact O-N 2.77Å; L1120-S1123 VanDerWaalsContact O-N 3.12Å; L1120-S1123 PolarHBondContact O-OG 3.06Å; L1120-V1124 WeakPolarHBondContact O-CG2 3.28Å; L1120-V1124 PolarHBondContact O-N 3.22Å
1121F89.9Confident83.5Confident57 Ų5751.3 Ų51.325%0.2527%0.267CS..Hα-helixtrans-65.2-36.2-177.2-82.8-104.3000112F1117 A1125 L1162 V1166F1117-F1121 AromaticContact CD1-CD2 3.83Å; F1117-F1121 HydrophobicContact CD1-CD2 3.83Å; F1117-F1121 HydrophobicContact CD1-CE2 4.28Å; F1117-F1121 HydrophobicContact CD1-CG 4.34Å; F1117-F1121 AromaticContact CD2-CD2 3.88Å; F1117-F1121 HydrophobicContact CD2-CD2 3.88Å; F1117-F1121 AromaticContact CD2-CE2 3.58Å; F1117-F1121 HydrophobicContact CD2-CE2 3.58Å; F1117-F1121 HydrophobicContact CD2-CZ 4.48Å; F1117-F1121 HydrophobicContact CE1-CD1 4.35Å; F1117-F1121 AromaticContact CE1-CD2 3.64Å; F1117-F1121 HydrophobicContact CE1-CD2 3.64Å; F1117-F1121 AromaticContact CE1-CE2 3.9Å; F1117-F1121 HydrophobicContact CE1-CE2 3.9Å; F1117-F1121 AromaticContact CE1-CG 3.9Å; F1117-F1121 HydrophobicContact CE1-CG 3.9Å; F1117-F1121 HydrophobicContact CE1-CZ 4.36Å; F1117-F1121 AromaticContact CE2-CD2 3.71Å; F1117-F1121 HydrophobicContact CE2-CD2 3.71Å; F1117-F1121 AromaticContact CE2-CE2 3.13Å; F1117-F1121 HydrophobicContact CE2-CE2 3.13Å; F1117-F1121 AromaticContact CE2-CZ 3.62Å; F1117-F1121 HydrophobicContact CE2-CZ 3.62Å; F1117-F1121 AromaticContact CG-CD2 3.94Å; F1117-F1121 HydrophobicContact CG-CD2 3.94Å; F1117-F1121 HydrophobicContact CG-CE2 4.14Å; F1117-F1121 HydrophobicContact CZ-CD1 4.22Å; F1117-F1121 AromaticContact CZ-CD2 3.58Å; F1117-F1121 HydrophobicContact CZ-CD2 3.58Å; F1117-F1121 AromaticContact CZ-CE1 4Å; F1117-F1121 HydrophobicContact CZ-CE1 4Å; F1117-F1121 AromaticContact CZ-CE2 3.31Å; F1117-F1121 HydrophobicContact CZ-CE2 3.31Å; F1117-F1121 HydrophobicContact CZ-CG 4.05Å; F1117-F1121 AromaticContact CZ-CZ 3.54Å; F1117-F1121 HydrophobicContact CZ-CZ 3.54Å; F1117-F1121 WeakPolarHBondContact O-CB 3.07Å; F1117-F1121 WeakPolarHBondContact O-CD2 3.23Å; F1117-F1121 PolarHBondContact O-N 3.25Å; F1121-A1125 VanDerWaalsContact O-CB 3.32Å; F1121-A1125 WeakPolarHBondContact O-CB 3.5Å; F1121-A1125 PolarHBondContact O-N 3.35Å; F1121-L1162 HydrophobicContact CD1-CD2 3.57Å; F1121-L1162 HydrophobicContact CE1-CD2 3.95Å; F1121-V1166 HydrophobicContact CB-CG2 3.49Å; F1121-V1166 VanDerWaalsContact CB-CG2 3.49Å
1122S88.2Confident84.8Confident4 Ų449.1 Ų49.13%0.02825%0.252CS..Hα-helixtrans-68.3-39.3172.561.80000112.5L1095 T1118 L1119 L1120 V1124 A1125 M1126L1095-S1122 WeakPolarHBondContact CD2-OG 3.43Å; T1118-S1122 WeakPolarHBondContact O-CB 3.36Å; T1118-S1122 PolarHBondContact O-N 3.25Å; T1118-S1122 PolarHBondContact O-OG 3.48Å; L1119-S1122 WeakPolarHBondContact CA-OG 3.48Å; L1119-S1122 PolarHBondContact O-OG 3.45Å; L1119-S1122 VanDerWaalsContact O-OG 3.05Å; L1120-S1122 VanDerWaalsContact C-N 3.31Å; L1120-S1122 PolarHBondContact O-N 3.39Å; S1122-V1124 PolarHBondContact O-N 3.43Å; S1122-A1125 WeakPolarHBondContact O-CB 3.4Å; S1122-A1125 PolarHBondContact O-N 3.43Å; S1122-M1126 VanDerWaalsContact O-CG 3.23Å; S1122-M1126 WeakPolarHBondContact O-CG 3.44Å; S1122-M1126 PolarHBondContact O-N 2.91Å
1123S87.8Confident85.7Confident60 Ų6047.7 Ų47.742%0.4225%0.247SC..Hα-helixtrans-63.7-41.2175.171.40000111.7L1119 L1120 A1125 M1126 V1127L1119-S1123 WeakPolarHBondContact O-CB 3.3Å; L1119-S1123 PolarHBondContact O-N 3.34Å; L1119-S1123 PolarHBondContact O-OG 3.33Å; L1120-S1123 PolarHBondContact O-N 2.77Å; L1120-S1123 VanDerWaalsContact O-N 3.12Å; L1120-S1123 PolarHBondContact O-OG 3.06Å; S1123-A1125 VanDerWaalsContact C-N 3.35Å; S1123-M1126 PolarHBondContact O-N 3.46Å; S1123-V1127 VanDerWaalsContact O-CG2 3.3Å; S1123-V1127 WeakPolarHBondContact O-CG2 3.36Å; S1123-V1127 PolarHBondContact O-N 2.77Å
1124V90.3Very high86.2Confident63 Ų6345.2 Ų45.238%0.38224%0.24SC..Hα-helixtrans-63.4-42.5173.8175.90000110.4L1120 S1122 M1126 V1127 I1128 L1162L1120-V1124 WeakPolarHBondContact O-CG2 3.28Å; L1120-V1124 PolarHBondContact O-N 3.22Å; S1122-V1124 PolarHBondContact O-N 3.43Å; V1124-M1126 VanDerWaalsContact C-N 3.34Å; V1124-M1126 PolarHBondContact O-N 3.43Å; V1124-V1127 PolarHBondContact O-N 3.41Å; V1124-I1128 HydrophobicContact CG1-CD1 3.78Å; V1124-I1128 HydrophobicContact CG1-CG1 4.4Å; V1124-I1128 WeakPolarHBondContact O-CB 3.44Å; V1124-I1128 VanDerWaalsContact O-CG1 3.25Å; V1124-I1128 WeakPolarHBondContact O-CG1 3.37Å; V1124-I1128 PolarHBondContact O-N 2.87Å; V1124-L1162 HydrophobicContact CB-CD1 4.34Å; V1124-L1162 HydrophobicContact CG1-CD1 3.76Å
1125A89.3Confident86.8Confident0 Ų047.8 Ų47.80%025%0.247CC..Hα-helixtrans-60.2-44174.900000111.5F1121 S1122 S1123 I1128 H1129 K1159 L1162 F1163F1121-A1125 VanDerWaalsContact O-CB 3.32Å; F1121-A1125 WeakPolarHBondContact O-CB 3.5Å; F1121-A1125 PolarHBondContact O-N 3.35Å; S1122-A1125 WeakPolarHBondContact O-CB 3.4Å; S1122-A1125 PolarHBondContact O-N 3.43Å; S1123-A1125 VanDerWaalsContact C-N 3.35Å; A1125-I1128 PolarHBondContact O-N 3.08Å; A1125-H1129 PolarHBondContact O-N 2.74Å; A1125-K1159 HydrophobicContact CB-CG 3.85Å; A1125-K1159 WeakPolarHBondContact O-CG 3.46Å; A1125-L1162 HydrophobicContact CB-CB 3.96Å; A1125-L1162 HydrophobicContact CB-CD1 4.17Å; A1125-F1163 HydrophobicContact CB-CD1 4.2Å; A1125-F1163 HydrophobicContact CB-CD2 4.36Å; A1125-F1163 HydrophobicContact CB-CE1 3.86Å; A1125-F1163 HydrophobicContact CB-CE2 4.05Å; A1125-F1163 HydrophobicContact CB-CG 4.42Å; A1125-F1163 HydrophobicContact CB-CZ 3.78Å
1126M85.8Confident86.9Confident42 Ų4247.7 Ų47.721%0.20725%0.246CC..Hα-helixtrans-66.4-39.9177.5-68-59.6-63.400112.4L1092 S1122 S1123 V1124 I1128 H1129 I1130 F1163L1092-M1126 HydrophobicContact CB-CE 4.46Å; L1092-M1126 HydrophobicContact CD1-CE 3.3Å; L1092-M1126 HydrophobicContact CG-CE 4.3Å; S1122-M1126 VanDerWaalsContact O-CG 3.23Å; S1122-M1126 WeakPolarHBondContact O-CG 3.44Å; S1122-M1126 PolarHBondContact O-N 2.91Å; S1123-M1126 PolarHBondContact O-N 3.46Å; V1124-M1126 VanDerWaalsContact C-N 3.34Å; V1124-M1126 PolarHBondContact O-N 3.43Å; M1126-I1128 VanDerWaalsContact C-N 3.34Å; M1126-H1129 WeakPolarHBondContact O-CB 3.48Å; M1126-H1129 PolarHBondContact O-N 3.3Å; M1126-I1130 WeakPolarHBondContact O-CG1 3.41Å; M1126-I1130 PolarHBondContact O-N 2.75Å; M1126-F1163 HydrophobicContact CG-CZ 4.5Å; M1126-F1163 HydrophobicContact SD-CZ 4.06Å
1127V87.7Confident86.8Confident93 Ų9348.8 Ų48.856%0.56425%0.252SS*.Hα-helixtrans-63.7-42.4173.6171.10000110.4S1123 V1124 H1129 I1130 F1131S1123-V1127 VanDerWaalsContact O-CG2 3.3Å; S1123-V1127 WeakPolarHBondContact O-CG2 3.36Å; S1123-V1127 PolarHBondContact O-N 2.77Å; V1124-V1127 PolarHBondContact O-N 3.41Å; V1127-H1129 VanDerWaalsContact C-N 3.29Å; V1127-H1129 PolarHBondContact O-N 2.9Å; V1127-I1130 PolarHBondContact O-N 2.95Å; V1127-F1131 VanDerWaalsContact O-CB 3.23Å; V1127-F1131 WeakPolarHBondContact O-CB 3.49Å; V1127-F1131 PolarHBondContact O-N 3.33Å
1128I89.2Confident86.6Confident28 Ų2850.2 Ų50.214%0.14426%0.264CS..Hα-helixtrans-62.2-38.7175.2-74167.9000110.9V1124 A1125 M1126 F1131 A1132 L1155 V1158 K1159 L1162V1124-I1128 HydrophobicContact CG1-CD1 3.78Å; V1124-I1128 HydrophobicContact CG1-CG1 4.4Å; V1124-I1128 WeakPolarHBondContact O-CB 3.44Å; V1124-I1128 VanDerWaalsContact O-CG1 3.25Å; V1124-I1128 WeakPolarHBondContact O-CG1 3.37Å; V1124-I1128 PolarHBondContact O-N 2.87Å; A1125-I1128 PolarHBondContact O-N 3.08Å; M1126-I1128 VanDerWaalsContact C-N 3.34Å; I1128-F1131 PolarHBondContact O-N 3.02Å; I1128-A1132 WeakPolarHBondContact O-CB 3.17Å; I1128-A1132 PolarHBondContact O-N 3.38Å; I1128-L1155 HydrophobicContact CG2-CB 3.96Å; I1128-L1155 HydrophobicContact CG2-CD2 4.07Å; I1128-L1155 WeakPolarHBondContact CG2-O 3.02Å; I1128-V1158 HydrophobicContact CD1-CG1 3.87Å; I1128-K1159 HydrophobicContact CG2-CB 4.28Å; I1128-L1162 HydrophobicContact CD1-CD1 3.47Å; I1128-L1162 VanDerWaalsContact CD1-CD1 3.47Å
1129H87.1Confident86.3Confident13 Ų1356.8 Ų56.86%0.0629%0.293CS..Hα-helixtrans-62-47.5175-172.388.4000111.5E1088 A1125 M1126 V1127 F1131 A1132 F1133 L1156 K1159E1088-H1129 IonicContact OE1-CE1 3.77Å; E1088-H1129 IonicContact OE1-ND1 3.22Å; A1125-H1129 PolarHBondContact O-N 2.74Å; M1126-H1129 WeakPolarHBondContact O-CB 3.48Å; M1126-H1129 PolarHBondContact O-N 3.3Å; V1127-H1129 VanDerWaalsContact C-N 3.29Å; V1127-H1129 PolarHBondContact O-N 2.9Å; H1129-F1131 PolarHBondContact O-N 3.5Å; H1129-A1132 WeakPolarHBondContact O-CB 3.43Å; H1129-A1132 PolarHBondContact O-N 2.93Å; H1129-F1133 AromaticContact CE1-CE2 3.8Å; H1129-F1133 AromaticContact NE2-CE2 3.75Å; H1129-F1133 VanDerWaalsContact O-CD2 3.28Å; H1129-F1133 WeakPolarHBondContact O-CD2 3.33Å; H1129-L1156 VanDerWaalsContact ND1-CD2 3.29Å; H1129-L1156 WeakPolarHBondContact ND1-CD2 3.41Å; H1129-K1159 HydrophobicContact CB-CD 3.86Å
1130I85.7Confident85.9Confident96 Ų9658 Ų5849%0.49230%0.298SS..Hα-helixtrans-63.7-43.5177.1-66.1169.1000110.6M1126 V1127 A1132 F1133 I1134M1126-I1130 WeakPolarHBondContact O-CG1 3.41Å; M1126-I1130 PolarHBondContact O-N 2.75Å; V1127-I1130 PolarHBondContact O-N 2.95Å; I1130-A1132 VanDerWaalsContact C-N 3.33Å; I1130-A1132 PolarHBondContact O-N 3.49Å; I1130-F1133 PolarHBondContact O-N 3.45Å; I1130-I1134 HydrophobicContact CG2-CD1 3.44Å; I1130-I1134 VanDerWaalsContact CG2-CD1 3.44Å; I1130-I1134 HydrophobicContact CG2-CG1 4.12Å; I1130-I1134 WeakPolarHBondContact O-CG1 3.4Å; I1130-I1134 PolarHBondContact O-N 3.44Å
1131F87.6Confident85.1Confident87 Ų8758.9 Ų58.938%0.38230%0.304SS..Hα-helixtrans-66.7-34.4179.9-162.7-98.7000112.3V1127 I1128 H1129 F1133 I1134 Y1135 L1155V1127-F1131 VanDerWaalsContact O-CB 3.23Å; V1127-F1131 WeakPolarHBondContact O-CB 3.49Å; V1127-F1131 PolarHBondContact O-N 3.33Å; I1128-F1131 PolarHBondContact O-N 3.02Å; H1129-F1131 PolarHBondContact O-N 3.5Å; F1131-F1133 PolarHBondContact O-N 2.68Å; F1131-I1134 PolarHBondContact O-N 2.93Å; F1131-Y1135 HydrophobicContact CD1-CG 4.25Å; F1131-Y1135 HydrophobicContact CE1-CD1 4.3Å; F1131-Y1135 AromaticContact CE1-CD2 3.53Å; F1131-Y1135 HydrophobicContact CE1-CD2 3.53Å; F1131-Y1135 HydrophobicContact CE1-CE2 4.25Å; F1131-Y1135 AromaticContact CE1-CG 3.53Å; F1131-Y1135 HydrophobicContact CE1-CG 3.53Å; F1131-Y1135 AromaticContact CE2-CD2 3.79Å; F1131-Y1135 HydrophobicContact CE2-CD2 3.79Å; F1131-Y1135 HydrophobicContact CE2-CG 4.35Å; F1131-Y1135 AromaticContact CZ-CD2 3.09Å; F1131-Y1135 HydrophobicContact CZ-CD2 3.09Å; F1131-Y1135 AromaticContact CZ-CE2 3.75Å; F1131-Y1135 HydrophobicContact CZ-CE2 3.75Å; F1131-Y1135 AromaticContact CZ-CG 3.62Å; F1131-Y1135 HydrophobicContact CZ-CG 3.62Å; F1131-Y1135 WeakPolarHBondContact O-CB 3.42Å; F1131-Y1135 PolarHBondContact O-N 3.04Å; F1131-L1155 HydrophobicContact CD1-CD1 4.08Å
1132A85.4Confident84.3Confident0 Ų066.3 Ų66.30%034%0.336CS..Hα-helixtrans-57.2-35.1176.100000112I1128 H1129 I1130 P1136 T1152 L1155I1128-A1132 WeakPolarHBondContact O-CB 3.17Å; I1128-A1132 PolarHBondContact O-N 3.38Å; H1129-A1132 WeakPolarHBondContact O-CB 3.43Å; H1129-A1132 PolarHBondContact O-N 2.93Å; I1130-A1132 VanDerWaalsContact C-N 3.33Å; I1130-A1132 PolarHBondContact O-N 3.49Å; A1132-P1136 WeakPolarHBondContact O-CD 3.27Å; A1132-P1136 WeakPolarHBondContact O-CG 3.39Å; A1132-T1152 HydrophobicContact CB-CG2 4.19Å; A1132-T1152 PolarHBondContact O-OG1 2.97Å; A1132-L1155 HydrophobicContact CB-CB 3.64Å; A1132-L1155 HydrophobicContact CB-CD1 4.01Å
1133F85.2Confident83.7Confident19 Ų1967.1 Ų67.18%0.08334%0.343CS..Hα-helixtrans-92.7-39.1176.9-66.7-73.7000113.2I1079 S1081 P1082 H1129 I1130 F1131 I1137 T1152 L1156I1079-F1133 HydrophobicContact CG2-CZ 4.07Å; S1081-F1133 VanDerWaalsContact O-CZ 3.28Å; S1081-F1133 WeakPolarHBondContact O-CZ 3.25Å; P1082-F1133 HydrophobicContact CB-CB 4.03Å; P1082-F1133 HydrophobicContact CB-CD1 4.18Å; P1082-F1133 HydrophobicContact CB-CD2 4.09Å; P1082-F1133 HydrophobicContact CB-CG 3.83Å; H1129-F1133 AromaticContact CE1-CE2 3.8Å; H1129-F1133 AromaticContact NE2-CE2 3.75Å; H1129-F1133 VanDerWaalsContact O-CD2 3.28Å; H1129-F1133 WeakPolarHBondContact O-CD2 3.33Å; I1130-F1133 PolarHBondContact O-N 3.45Å; F1131-F1133 PolarHBondContact O-N 2.68Å; F1133-I1137 WeakPolarHBondContact O-CD1 3.5Å; F1133-I1137 WeakPolarHBondContact O-CG1 3.28Å; F1133-T1152 HydrophobicContact CD1-CG2 4Å; F1133-T1152 HydrophobicContact CE1-CG2 3.76Å; F1133-T1152 HydrophobicContact CZ-CG2 4.16Å; F1133-L1156 HydrophobicContact CE2-CD2 4.32Å; F1133-L1156 HydrophobicContact CZ-CD1 4.31Å
1134I85.3Confident83.2Confident91 Ų9167 Ų6747%0.46734%0.342SS..Hα-helixtrans-74.2-41.5-176.4-66.3-177.8000112.1I1130 F1131 I1137 V1138I1130-I1134 HydrophobicContact CG2-CD1 3.44Å; I1130-I1134 VanDerWaalsContact CG2-CD1 3.44Å; I1130-I1134 HydrophobicContact CG2-CG1 4.12Å; I1130-I1134 WeakPolarHBondContact O-CG1 3.4Å; I1130-I1134 PolarHBondContact O-N 3.44Å; F1131-I1134 PolarHBondContact O-N 2.93Å; I1134-I1137 PolarHBondContact O-N 3.07Å; I1134-V1138 HydrophobicContact CG2-CG2 3.78Å; I1134-V1138 WeakPolarHBondContact O-CG2 3.49Å; I1134-V1138 PolarHBondContact O-N 3.2Å
1135Y85.7Confident82.7Confident71 Ų7169.7 Ų69.728%0.27835%0.35SS..Hα-helixtrans-63.1-46.2-174.5-172.6-94.7000113.7F1131 I1137 V1138 F1139 M1140 Y1151F1131-Y1135 HydrophobicContact CD1-CG 4.25Å; F1131-Y1135 HydrophobicContact CE1-CD1 4.3Å; F1131-Y1135 AromaticContact CE1-CD2 3.53Å; F1131-Y1135 HydrophobicContact CE1-CD2 3.53Å; F1131-Y1135 HydrophobicContact CE1-CE2 4.25Å; F1131-Y1135 AromaticContact CE1-CG 3.53Å; F1131-Y1135 HydrophobicContact CE1-CG 3.53Å; F1131-Y1135 AromaticContact CE2-CD2 3.79Å; F1131-Y1135 HydrophobicContact CE2-CD2 3.79Å; F1131-Y1135 HydrophobicContact CE2-CG 4.35Å; F1131-Y1135 AromaticContact CZ-CD2 3.09Å; F1131-Y1135 HydrophobicContact CZ-CD2 3.09Å; F1131-Y1135 AromaticContact CZ-CE2 3.75Å; F1131-Y1135 HydrophobicContact CZ-CE2 3.75Å; F1131-Y1135 AromaticContact CZ-CG 3.62Å; F1131-Y1135 HydrophobicContact CZ-CG 3.62Å; F1131-Y1135 WeakPolarHBondContact O-CB 3.42Å; F1131-Y1135 PolarHBondContact O-N 3.04Å; Y1135-I1137 PolarHBondContact O-N 3.29Å; Y1135-V1138 PolarHBondContact O-N 2.99Å; Y1135-F1139 HydrophobicContact CD2-CB 4.11Å; Y1135-F1139 AromaticContact CD2-CD2 3.33Å; Y1135-F1139 HydrophobicContact CD2-CD2 3.33Å; Y1135-F1139 HydrophobicContact CD2-CE2 4.02Å; Y1135-F1139 AromaticContact CD2-CG 3.97Å; Y1135-F1139 HydrophobicContact CD2-CG 3.97Å; Y1135-F1139 HydrophobicContact CE1-CB 4.19Å; Y1135-F1139 HydrophobicContact CE2-CB 3.77Å; Y1135-F1139 HydrophobicContact CE2-CD1 4.49Å; Y1135-F1139 AromaticContact CE2-CD2 3.44Å; Y1135-F1139 HydrophobicContact CE2-CD2 3.44Å; Y1135-F1139 VanDerWaalsContact CE2-CD2 3.44Å; Y1135-F1139 HydrophobicContact CE2-CE2 4.14Å; Y1135-F1139 AromaticContact CE2-CG 3.65Å; Y1135-F1139 HydrophobicContact CE2-CG 3.65Å; Y1135-F1139 HydrophobicContact CG-CB 4.48Å; Y1135-F1139 HydrophobicContact CG-CD2 4.19Å; Y1135-F1139 PolarHBondContact O-N 3.46Å; Y1135-M1140 HydrophobicContact CD1-CG 4.28Å; Y1135-M1140 HydrophobicContact CD1-SD 4.45Å; Y1135-M1140 HydrophobicContact CE1-CG 4.06Å; Y1135-M1140 HydrophobicContact CE1-SD 4.37Å; Y1135-Y1151 HydrophobicContact CD1-CD1 4.3Å; Y1135-Y1151 AromaticContact CD1-CE1 3.49Å; Y1135-Y1151 HydrophobicContact CD1-CE1 3.49Å; Y1135-Y1151 VanDerWaalsContact CD1-CE1 3.49Å; Y1135-Y1151 AromaticContact CD1-CZ 3.8Å; Y1135-Y1151 HydrophobicContact CE1-CE1 4.21Å; Y1135-Y1151 HydrophobicContact CG-CE1 4.22Å
1136P81.9Confident82.4Confident5 Ų575.8 Ų75.83%0.03238%0.383CS..Hα-helixtrans-63.4-31175.7-0.33.6000112.9A1132 M1140 K1148 Y1151A1132-P1136 WeakPolarHBondContact O-CD 3.27Å; A1132-P1136 WeakPolarHBondContact O-CG 3.39Å; P1136-M1140 PolarHBondContact O-N 3.06Å; P1136-K1148 HydrophobicContact CB-CB 3.93Å; P1136-K1148 HydrophobicContact CB-CD 4.34Å; P1136-K1148 HydrophobicContact CB-CG 3.98Å; P1136-Y1151 HydrophobicContact CG-CD1 4.25Å
1137I79.7Confident82.2Confident118 Ų11878.9 Ų78.961%0.60540%0.397SS*.Hα-helixtrans-72.1-40.1177.7-64171000111.4F1133 I1134 Y1135 N1141F1133-I1137 WeakPolarHBondContact O-CD1 3.5Å; F1133-I1137 WeakPolarHBondContact O-CG1 3.28Å; I1134-I1137 PolarHBondContact O-N 3.07Å; Y1135-I1137 PolarHBondContact O-N 3.29Å; I1137-N1141 PolarHBondContact O-OD1 3.21Å
1138V81.8Confident82Confident83 Ų8376.2 Ų76.250%0.50338%0.378SS..Hα-helixtrans-89.5-43.8-173.4177.40000112.6I1134 Y1135I1134-V1138 HydrophobicContact CG2-CG2 3.78Å; I1134-V1138 WeakPolarHBondContact O-CG2 3.49Å; I1134-V1138 PolarHBondContact O-N 3.2Å; Y1135-V1138 PolarHBondContact O-N 2.99Å
1139F81Confident81.7Confident141 Ų14177.7 Ų77.762%0.61839%0.385SS*.THydrogen-bonded Turntrans-106.2-33-169.3-69.4-82000113.6Y1135 N1141Y1135-F1139 HydrophobicContact CD2-CB 4.11Å; Y1135-F1139 AromaticContact CD2-CD2 3.33Å; Y1135-F1139 HydrophobicContact CD2-CD2 3.33Å; Y1135-F1139 HydrophobicContact CD2-CE2 4.02Å; Y1135-F1139 AromaticContact CD2-CG 3.97Å; Y1135-F1139 HydrophobicContact CD2-CG 3.97Å; Y1135-F1139 HydrophobicContact CE1-CB 4.19Å; Y1135-F1139 HydrophobicContact CE2-CB 3.77Å; Y1135-F1139 HydrophobicContact CE2-CD1 4.49Å; Y1135-F1139 AromaticContact CE2-CD2 3.44Å; Y1135-F1139 HydrophobicContact CE2-CD2 3.44Å; Y1135-F1139 VanDerWaalsContact CE2-CD2 3.44Å; Y1135-F1139 HydrophobicContact CE2-CE2 4.14Å; Y1135-F1139 AromaticContact CE2-CG 3.65Å; Y1135-F1139 HydrophobicContact CE2-CG 3.65Å; Y1135-F1139 HydrophobicContact CG-CB 4.48Å; Y1135-F1139 HydrophobicContact CG-CD2 4.19Å; Y1135-F1139 PolarHBondContact O-N 3.46Å; F1139-N1141 VanDerWaalsContact C-N 3.28Å; F1139-N1141 PolarHBondContact O-N 3.27Å
1140M79.8Confident81.6Confident44 Ų4482.6 Ų82.622%0.21741%0.412CS..  trans-91.438.3-177.2-59.9-172.27700113.5Y1135 P1136 K1142 A1143 K1148 Y1151Y1135-M1140 HydrophobicContact CD1-CG 4.28Å; Y1135-M1140 HydrophobicContact CD1-SD 4.45Å; Y1135-M1140 HydrophobicContact CE1-CG 4.06Å; Y1135-M1140 HydrophobicContact CE1-SD 4.37Å; P1136-M1140 PolarHBondContact O-N 3.06Å; M1140-K1142 PolarHBondContact O-N 3.44Å; M1140-A1143 HydrophobicContact CB-CB 3.96Å; M1140-A1143 HydrophobicContact CE-CB 3.65Å; M1140-A1143 PolarHBondContact O-N 3.02Å; M1140-A1143 VanDerWaalsContact O-N 3.13Å; M1140-K1148 HydrophobicContact CB-CG 4.26Å; M1140-K1148 WeakPolarHBondContact O-CE 3.29Å; M1140-Y1151 HydrophobicContact SD-CD1 4.27Å; M1140-Y1151 HydrophobicContact SD-CG 4.12Å
1141N72.4Confident81.6Confident122 Ų12281.4 Ų81.465%0.65240%0.402SS*.THydrogen-bonded Turntrans-61.9-17.7180-93.4-19.2000114.6I1137 F1139I1137-N1141 PolarHBondContact O-OD1 3.21Å; F1139-N1141 VanDerWaalsContact C-N 3.28Å; F1139-N1141 PolarHBondContact O-N 3.27Å
1142K74.6Confident81.5Confident213 Ų21377.9 Ų77.993%0.92639%0.387SS*.THydrogen-bonded Turntrans-97.6-11177.5-73-175.9176.8179.90114.8M1140M1140-K1142 PolarHBondContact O-N 3.44Å
1143A74.1Confident81.6Confident20 Ų2079.6 Ų79.617%0.16540%0.395CS..SBendtrans-79154.2-176.200000111.6M1140 E1147 K1148M1140-A1143 HydrophobicContact CB-CB 3.96Å; M1140-A1143 HydrophobicContact CE-CB 3.65Å; M1140-A1143 PolarHBondContact O-N 3.02Å; M1140-A1143 VanDerWaalsContact O-N 3.13Å; A1143-E1147 HydrophobicContact CB-CB 4.11Å; A1143-E1147 WeakPolarHBondContact CB-OE2 3.31Å; A1143-K1148 HydrophobicContact CB-CG 4.22Å
1144S78.3Confident81.7Confident57 Ų5782.1 Ų82.140%0.39941%0.412SS..  trans-63.3153.1172.666.90000110.5D1146 E1147 K1148S1144-D1146 PolarHBondContact O-N 3.31Å; S1144-E1147 PolarHBondContact O-N 3.18Å; S1144-E1147 VanDerWaalsContact O-N 3.1Å; S1144-E1147 WeakPolarHBondContact OG-CB 3.24Å; S1144-E1147 WeakPolarHBondContact OG-CG 3.4Å; S1144-E1147 PolarHBondContact OG-N 2.83Å; S1144-E1147 VanDerWaalsContact OG-N 3.14Å; S1144-K1148 PolarHBondContact O-N 3Å
1145E80.1Confident81.9Confident121 Ų12179.1 Ų79.157%0.56540%0.397SS*.Hα-helixtrans-57-34.3175-75.1-65124.900111.3K1148 L1149E1145-K1148 PolarHBondContact O-N 2.95Å; E1145-K1148 IonicContact OE1-NZ 2.81Å; E1145-K1148 PolarHBondContact OE1-NZ 3.3Å; E1145-L1149 WeakPolarHBondContact O-CB 3.49Å; E1145-L1149 PolarHBondContact O-N 3.21Å
1146D82Confident82Confident127 Ų12775.7 Ų75.768%0.67938%0.383SS*.Hα-helixtrans-65.3-40.8175.5-64.1-27.1000112.6S1144 L1149 L1150S1144-D1146 PolarHBondContact O-N 3.31Å; D1146-L1149 PolarHBondContact O-N 3.41Å; D1146-L1150 VanDerWaalsContact O-CB 3.3Å; D1146-L1150 WeakPolarHBondContact O-CB 3.4Å; D1146-L1150 PolarHBondContact O-N 2.67Å
1147E82.5Confident82.3Confident108 Ų10881.9 Ų81.951%0.50541%0.407SS..Hα-helixtrans-66.5-40.9175.7-79.9177174.300111.6A1143 S1144 L1150 Y1151A1143-E1147 HydrophobicContact CB-CB 4.11Å; A1143-E1147 WeakPolarHBondContact CB-OE2 3.31Å; S1144-E1147 PolarHBondContact O-N 3.18Å; S1144-E1147 VanDerWaalsContact O-N 3.1Å; S1144-E1147 WeakPolarHBondContact OG-CB 3.24Å; S1144-E1147 WeakPolarHBondContact OG-CG 3.4Å; S1144-E1147 PolarHBondContact OG-N 2.83Å; S1144-E1147 VanDerWaalsContact OG-N 3.14Å; E1147-L1150 PolarHBondContact O-N 2.88Å; E1147-Y1151 WeakPolarHBondContact O-CB 3.46Å; E1147-Y1151 PolarHBondContact O-N 2.93Å
1148K82Confident82.8Confident36 Ų3679.3 Ų79.316%0.15740%0.397CS..Hα-helixtrans-63.1-43.5174.9-66.4178.7-167.9164.80111.1P1136 M1140 A1143 S1144 E1145 Y1151 T1152P1136-K1148 HydrophobicContact CB-CB 3.93Å; P1136-K1148 HydrophobicContact CB-CD 4.34Å; P1136-K1148 HydrophobicContact CB-CG 3.98Å; M1140-K1148 HydrophobicContact CB-CG 4.26Å; M1140-K1148 WeakPolarHBondContact O-CE 3.29Å; A1143-K1148 HydrophobicContact CB-CG 4.22Å; S1144-K1148 PolarHBondContact O-N 3Å; E1145-K1148 PolarHBondContact O-N 2.95Å; E1145-K1148 IonicContact OE1-NZ 2.81Å; E1145-K1148 PolarHBondContact OE1-NZ 3.3Å; K1148-Y1151 PolarHBondContact O-N 3.37Å; K1148-T1152 WeakPolarHBondContact O-CB 3.28Å; K1148-T1152 PolarHBondContact O-N 2.89Å; K1148-T1152 PolarHBondContact O-OG1 2.87Å
1149L83.3Confident83.1Confident59 Ų5975.5 Ų75.531%0.30937%0.373SS..Hα-helixtrans-63.3-46.8176.2-96.2153.1000111.4T1080 E1145 D1146 Y1151 T1152 H1153T1080-L1149 HydrophobicContact CG2-CD2 4.32Å; E1145-L1149 WeakPolarHBondContact O-CB 3.49Å; E1145-L1149 PolarHBondContact O-N 3.21Å; D1146-L1149 PolarHBondContact O-N 3.41Å; L1149-Y1151 VanDerWaalsContact C-N 3.31Å; L1149-Y1151 PolarHBondContact O-N 3.15Å; L1149-T1152 PolarHBondContact O-N 3.43Å; L1149-T1152 VanDerWaalsContact O-N 3.16Å; L1149-H1153 WeakPolarHBondContact CD2-NE2 3.34Å; L1149-H1153 WeakPolarHBondContact O-CB 3.27Å; L1149-H1153 PolarHBondContact O-CD2 2.85Å; L1149-H1153 PolarHBondContact O-N 2.93Å
1150L84.9Confident83.5Confident117 Ų11769.4 Ų69.461%0.61335%0.347SS*.Hα-helixtrans-59.6-42.9177.5-174.767.8000111.4D1146 E1147 H1153 T1154D1146-L1150 VanDerWaalsContact O-CB 3.3Å; D1146-L1150 WeakPolarHBondContact O-CB 3.4Å; D1146-L1150 PolarHBondContact O-N 2.67Å; E1147-L1150 PolarHBondContact O-N 2.88Å; L1150-H1153 PolarHBondContact O-N 3.49Å; L1150-T1154 PolarHBondContact O-N 2.99Å; L1150-T1154 PolarHBondContact O-OG1 2.76Å
1151Y85.6Confident84.1Confident71 Ų7171.8 Ų71.828%0.27836%0.358SS..Hα-helixtrans-63.7-42.8175.3-172.7-98000112.1Y1135 P1136 M1140 E1147 K1148 L1149 T1154 L1155Y1135-Y1151 HydrophobicContact CD1-CD1 4.3Å; Y1135-Y1151 AromaticContact CD1-CE1 3.49Å; Y1135-Y1151 HydrophobicContact CD1-CE1 3.49Å; Y1135-Y1151 VanDerWaalsContact CD1-CE1 3.49Å; Y1135-Y1151 AromaticContact CD1-CZ 3.8Å; Y1135-Y1151 HydrophobicContact CE1-CE1 4.21Å; Y1135-Y1151 HydrophobicContact CG-CE1 4.22Å; P1136-Y1151 HydrophobicContact CG-CD1 4.25Å; M1140-Y1151 HydrophobicContact SD-CD1 4.27Å; M1140-Y1151 HydrophobicContact SD-CG 4.12Å; E1147-Y1151 WeakPolarHBondContact O-CB 3.46Å; E1147-Y1151 PolarHBondContact O-N 2.93Å; K1148-Y1151 PolarHBondContact O-N 3.37Å; L1149-Y1151 VanDerWaalsContact C-N 3.31Å; L1149-Y1151 PolarHBondContact O-N 3.15Å; Y1151-T1154 WeakPolarHBondContact CA-OG1 3.32Å; Y1151-T1154 PolarHBondContact O-N 3.46Å; Y1151-T1154 PolarHBondContact O-OG1 2.65Å; Y1151-L1155 HydrophobicContact CD1-CD1 3.85Å; Y1151-L1155 HydrophobicContact CE1-CD1 3.22Å; Y1151-L1155 HydrophobicContact CE1-CG 4.18Å; Y1151-L1155 PolarHBondContact O-N 3.39Å; Y1151-L1155 VanDerWaalsContact O-N 3.09Å
1152T85.6Confident85Confident13 Ų1367.4 Ų67.48%0.0833%0.334CS..Hα-helixtrans-62.8-47.5177.5-530000110.6A1132 F1133 K1148 L1149 T1154 L1155 L1156A1132-T1152 HydrophobicContact CB-CG2 4.19Å; A1132-T1152 PolarHBondContact O-OG1 2.97Å; F1133-T1152 HydrophobicContact CD1-CG2 4Å; F1133-T1152 HydrophobicContact CE1-CG2 3.76Å; F1133-T1152 HydrophobicContact CZ-CG2 4.16Å; K1148-T1152 WeakPolarHBondContact O-CB 3.28Å; K1148-T1152 PolarHBondContact O-N 2.89Å; K1148-T1152 PolarHBondContact O-OG1 2.87Å; L1149-T1152 PolarHBondContact O-N 3.43Å; L1149-T1152 VanDerWaalsContact O-N 3.16Å; T1152-T1154 PolarHBondContact O-N 2.85Å; T1152-L1155 PolarHBondContact O-N 2.91Å; T1152-L1156 HydrophobicContact CG2-CD1 4.18Å; T1152-L1156 VanDerWaalsContact O-CG 3.28Å; T1152-L1156 WeakPolarHBondContact O-CG 3.33Å; T1152-L1156 PolarHBondContact O-N 3.15Å
1153H87.3Confident85.8Confident36 Ų3657.3 Ų57.317%0.16729%0.29CS..Hα-helixtrans-67.3-36.3-180-67.1-49000113.2L1076 Y1077 L1149 L1150 L1156 Y1157L1076-H1153 WeakPolarHBondContact CD2-O 3.27Å; L1076-H1153 PolarHBondContact O-CE1 3.08Å; L1076-H1153 PolarHBondContact O-ND1 3.4Å; L1076-H1153 VanDerWaalsContact O-ND1 3.17Å; Y1077-H1153 PolarHBondContact O-CE1 2.98Å; L1149-H1153 WeakPolarHBondContact CD2-NE2 3.34Å; L1149-H1153 WeakPolarHBondContact O-CB 3.27Å; L1149-H1153 PolarHBondContact O-CD2 2.85Å; L1149-H1153 PolarHBondContact O-N 2.93Å; L1150-H1153 PolarHBondContact O-N 3.49Å; H1153-L1156 PolarHBondContact O-N 3.11Å; H1153-Y1157 WeakPolarHBondContact O-CB 3.47Å; H1153-Y1157 PolarHBondContact O-N 3.25Å
1154T87.9Confident86.5Confident72 Ų7258 Ų5844%0.44230%0.296SS..Hα-helixtrans-66-42174.736.10000111.6L1150 Y1151 T1152 Y1157 V1158L1150-T1154 PolarHBondContact O-N 2.99Å; L1150-T1154 PolarHBondContact O-OG1 2.76Å; Y1151-T1154 WeakPolarHBondContact CA-OG1 3.32Å; Y1151-T1154 PolarHBondContact O-N 3.46Å; Y1151-T1154 PolarHBondContact O-OG1 2.65Å; T1152-T1154 PolarHBondContact O-N 2.85Å; T1154-Y1157 WeakPolarHBondContact O-CB 3.28Å; T1154-Y1157 PolarHBondContact O-N 3.48Å; T1154-V1158 WeakPolarHBondContact O-CG2 3.26Å; T1154-V1158 PolarHBondContact O-N 3.35Å
1155L89.2Confident87.1Confident27 Ų2757.1 Ų57.114%0.14129%0.292CS..Hα-helixtrans-65.9-38.4173.5-75.5176.1000112.6I1128 F1131 A1132 Y1151 T1152 Y1157 V1158 K1159I1128-L1155 HydrophobicContact CG2-CB 3.96Å; I1128-L1155 HydrophobicContact CG2-CD2 4.07Å; I1128-L1155 WeakPolarHBondContact CG2-O 3.02Å; F1131-L1155 HydrophobicContact CD1-CD1 4.08Å; A1132-L1155 HydrophobicContact CB-CB 3.64Å; A1132-L1155 HydrophobicContact CB-CD1 4.01Å; Y1151-L1155 HydrophobicContact CD1-CD1 3.85Å; Y1151-L1155 HydrophobicContact CE1-CD1 3.22Å; Y1151-L1155 HydrophobicContact CE1-CG 4.18Å; Y1151-L1155 PolarHBondContact O-N 3.39Å; Y1151-L1155 VanDerWaalsContact O-N 3.09Å; T1152-L1155 PolarHBondContact O-N 2.91Å; L1155-Y1157 VanDerWaalsContact C-N 3.26Å; L1155-Y1157 PolarHBondContact O-N 2.89Å; L1155-V1158 PolarHBondContact O-N 2.92Å; L1155-K1159 PolarHBondContact O-N 3.15Å
1156L87.1Confident87.6Confident0 Ų051.3 Ų51.30%027%0.265CS..Hα-helixtrans-63.1-33.1172.7-71.1172.9000112.2L1076 I1079 H1129 F1133 T1152 H1153 K1159 N1160L1076-L1156 HydrophobicContact CD1-CB 4.34Å; L1076-L1156 HydrophobicContact CD2-CB 3.89Å; L1076-L1156 HydrophobicContact CG-CB 4.1Å; I1079-L1156 HydrophobicContact CB-CD1 4.29Å; I1079-L1156 HydrophobicContact CD1-CD1 4.39Å; I1079-L1156 HydrophobicContact CG2-CD1 4.4Å; H1129-L1156 VanDerWaalsContact ND1-CD2 3.29Å; H1129-L1156 WeakPolarHBondContact ND1-CD2 3.41Å; F1133-L1156 HydrophobicContact CE2-CD2 4.32Å; F1133-L1156 HydrophobicContact CZ-CD1 4.31Å; T1152-L1156 HydrophobicContact CG2-CD1 4.18Å; T1152-L1156 VanDerWaalsContact O-CG 3.28Å; T1152-L1156 WeakPolarHBondContact O-CG 3.33Å; T1152-L1156 PolarHBondContact O-N 3.15Å; H1153-L1156 PolarHBondContact O-N 3.11Å; L1156-K1159 HydrophobicContact CD2-CD 4.5Å; L1156-K1159 WeakPolarHBondContact O-CB 3.29Å; L1156-K1159 PolarHBondContact O-N 3.14Å; L1156-N1160 PolarHBondContact O-N 3.47Å; L1156-N1160 VanDerWaalsContact O-N 3.08Å
1157Y88.9Confident88.1Confident135 Ų13546.5 Ų46.553%0.52924%0.239SC..Hα-helixtrans-67.2-44.3173.4176-100.2000111H1153 T1154 L1155 K1159 N1160 Q1161H1153-Y1157 WeakPolarHBondContact O-CB 3.47Å; H1153-Y1157 PolarHBondContact O-N 3.25Å; T1154-Y1157 WeakPolarHBondContact O-CB 3.28Å; T1154-Y1157 PolarHBondContact O-N 3.48Å; L1155-Y1157 VanDerWaalsContact C-N 3.26Å; L1155-Y1157 PolarHBondContact O-N 2.89Å; Y1157-K1159 VanDerWaalsContact C-N 3.31Å; Y1157-K1159 PolarHBondContact O-N 3.26Å; Y1157-N1160 PolarHBondContact O-N 3.2Å; Y1157-N1160 VanDerWaalsContact O-N 3.1Å; Y1157-Q1161 HydrophobicContact CD1-CG 4.23Å; Y1157-Q1161 HydrophobicContact CE1-CG 3.79Å; Y1157-Q1161 HydrophobicContact CE2-CG 4.34Å; Y1157-Q1161 VanDerWaalsContact CZ-NE2 3.26Å; Y1157-Q1161 WeakPolarHBondContact O-CG 3.37Å; Y1157-Q1161 PolarHBondContact O-N 2.94Å; Y1157-Q1161 PolarHBondContact OH-NE2 3.32Å; Y1157-Q1161 VanDerWaalsContact OH-NE2 3.1Å
1158V90.2Very high88.4Confident64 Ų6446.8 Ų46.839%0.38824%0.244SC..Hα-helixtrans-59.3-42.8174.3177.40000110.9I1128 T1154 L1155 N1160 Q1161 L1162I1128-V1158 HydrophobicContact CD1-CG1 3.87Å; T1154-V1158 WeakPolarHBondContact O-CG2 3.26Å; T1154-V1158 PolarHBondContact O-N 3.35Å; L1155-V1158 PolarHBondContact O-N 2.92Å; V1158-N1160 VanDerWaalsContact C-N 3.31Å; V1158-N1160 PolarHBondContact O-N 2.98Å; V1158-Q1161 PolarHBondContact O-N 3.13Å; V1158-L1162 HydrophobicContact CG1-CD1 4.31Å; V1158-L1162 HydrophobicContact CG1-CG 4.48Å; V1158-L1162 WeakPolarHBondContact O-CG 3.45Å; V1158-L1162 PolarHBondContact O-N 3.33Å
1159K89.2Confident88.7Confident2 Ų246.2 Ų46.21%0.00924%0.243CC..Hα-helixtrans-53-49.4172.4-178.4-155.580.2145.40111.2E1068 E1088 A1125 I1128 H1129 L1155 L1156 Y1157 Q1161 L1162 F1163E1068-K1159 IonicContact OE1-NZ 2.86Å; E1068-K1159 PolarHBondContact OE1-NZ 2.83Å; E1088-K1159 IonicContact OE1-NZ 3.91Å; E1088-K1159 PolarHBondContact OE1-NZ 3.44Å; A1125-K1159 HydrophobicContact CB-CG 3.85Å; A1125-K1159 WeakPolarHBondContact O-CG 3.46Å; I1128-K1159 HydrophobicContact CG2-CB 4.28Å; H1129-K1159 HydrophobicContact CB-CD 3.86Å; L1155-K1159 PolarHBondContact O-N 3.15Å; L1156-K1159 HydrophobicContact CD2-CD 4.5Å; L1156-K1159 WeakPolarHBondContact O-CB 3.29Å; L1156-K1159 PolarHBondContact O-N 3.14Å; Y1157-K1159 VanDerWaalsContact C-N 3.31Å; Y1157-K1159 PolarHBondContact O-N 3.26Å; K1159-Q1161 VanDerWaalsContact C-N 3.34Å; K1159-Q1161 PolarHBondContact O-N 2.71Å; K1159-L1162 PolarHBondContact O-N 3.23Å; K1159-F1163 HydrophobicContact CD-CD2 4.29Å; K1159-F1163 HydrophobicContact CD-CE2 3.75Å; K1159-F1163 HydrophobicContact CG-CD2 3.91Å; K1159-F1163 HydrophobicContact CG-CE2 3.61Å; K1159-F1163 HydrophobicContact CG-CZ 4.5Å; K1159-F1163 WeakPolarHBondContact O-CD2 3.22Å; K1159-F1163 PolarHBondContact O-N 3.36Å
1160N89Confident88.9Confident14 Ų1443.4 Ų43.48%0.07523%0.229CC..Hα-helixtrans-65.5-35.1-179.7-82.416000112.9L1076 L1156 Y1157 V1158 F1163 A1164L1076-N1160 VanDerWaalsContact CD1-ND2 3.31Å; L1076-N1160 WeakPolarHBondContact CD1-ND2 3.2Å; L1156-N1160 PolarHBondContact O-N 3.47Å; L1156-N1160 VanDerWaalsContact O-N 3.08Å; Y1157-N1160 PolarHBondContact O-N 3.2Å; Y1157-N1160 VanDerWaalsContact O-N 3.1Å; V1158-N1160 VanDerWaalsContact C-N 3.31Å; V1158-N1160 PolarHBondContact O-N 2.98Å; N1160-F1163 CarbonylContact O-C 3.48Å; N1160-F1163 PolarHBondContact O-N 3.14Å; N1160-A1164 WeakPolarHBondContact O-CB 3.49Å; N1160-A1164 PolarHBondContact O-N 2.9Å
1161Q91.4Very high89.1Confident93 Ų9343 Ų4344%0.43522%0.222SC..Hα-helixtrans-68.3-37.7174.4-66.8-56.6-27.100112.4Y1157 V1158 K1159 A1164 A1165Y1157-Q1161 HydrophobicContact CD1-CG 4.23Å; Y1157-Q1161 HydrophobicContact CE1-CG 3.79Å; Y1157-Q1161 HydrophobicContact CE2-CG 4.34Å; Y1157-Q1161 VanDerWaalsContact CZ-NE2 3.26Å; Y1157-Q1161 WeakPolarHBondContact O-CG 3.37Å; Y1157-Q1161 PolarHBondContact O-N 2.94Å; Y1157-Q1161 PolarHBondContact OH-NE2 3.32Å; Y1157-Q1161 VanDerWaalsContact OH-NE2 3.1Å; V1158-Q1161 PolarHBondContact O-N 3.13Å; K1159-Q1161 VanDerWaalsContact C-N 3.34Å; K1159-Q1161 PolarHBondContact O-N 2.71Å; Q1161-A1164 WeakPolarHBondContact O-CB 3.44Å; Q1161-A1164 PolarHBondContact O-N 3.28Å; Q1161-A1165 PolarHBondContact O-N 2.85Å
1162L91.3Very high89.1Confident30 Ų3045.2 Ų45.216%0.15724%0.236CC..Hα-helixtrans-64.8-41.7172.2-66.7172.3000111.2F1121 V1124 A1125 I1128 V1158 K1159 A1164 A1165 V1166F1121-L1162 HydrophobicContact CD1-CD2 3.57Å; F1121-L1162 HydrophobicContact CE1-CD2 3.95Å; V1124-L1162 HydrophobicContact CB-CD1 4.34Å; V1124-L1162 HydrophobicContact CG1-CD1 3.76Å; A1125-L1162 HydrophobicContact CB-CB 3.96Å; A1125-L1162 HydrophobicContact CB-CD1 4.17Å; I1128-L1162 HydrophobicContact CD1-CD1 3.47Å; I1128-L1162 VanDerWaalsContact CD1-CD1 3.47Å; V1158-L1162 HydrophobicContact CG1-CD1 4.31Å; V1158-L1162 HydrophobicContact CG1-CG 4.48Å; V1158-L1162 WeakPolarHBondContact O-CG 3.45Å; V1158-L1162 PolarHBondContact O-N 3.33Å; K1159-L1162 PolarHBondContact O-N 3.23Å; L1162-A1164 VanDerWaalsContact C-N 3.33Å; L1162-A1164 PolarHBondContact O-N 3.04Å; L1162-A1165 PolarHBondContact O-N 3.39Å; L1162-V1166 WeakPolarHBondContact O-CG2 3.46Å; L1162-V1166 PolarHBondContact O-N 2.97Å
1163F91.1Very high89.1Confident1 Ų145.9 Ų45.90%0.00424%0.238CC..Hα-helixtrans-64.7-35171.6-73.7-44.8000112.5L1065 E1068 T1069 L1091 L1095 A1125 M1126 K1159 N1160 A1165 V1166 L1167L1065-F1163 HydrophobicContact CD2-CB 4.15Å; L1065-F1163 WeakPolarHBondContact CD2-O 3.29Å; E1068-F1163 HydrophobicContact CG-CD2 4.22Å; E1068-F1163 HydrophobicContact CG-CE2 4.49Å; T1069-F1163 HydrophobicContact CG2-CB 3.77Å; L1091-F1163 HydrophobicContact CD2-CD1 4.34Å; L1091-F1163 HydrophobicContact CD2-CE1 3.88Å; L1091-F1163 HydrophobicContact CD2-CE2 4.16Å; L1091-F1163 HydrophobicContact CD2-CZ 3.78Å; L1095-F1163 HydrophobicContact CD1-CE1 4.36Å; A1125-F1163 HydrophobicContact CB-CD1 4.2Å; A1125-F1163 HydrophobicContact CB-CD2 4.36Å; A1125-F1163 HydrophobicContact CB-CE1 3.86Å; A1125-F1163 HydrophobicContact CB-CE2 4.05Å; A1125-F1163 HydrophobicContact CB-CG 4.42Å; A1125-F1163 HydrophobicContact CB-CZ 3.78Å; M1126-F1163 HydrophobicContact CG-CZ 4.5Å; M1126-F1163 HydrophobicContact SD-CZ 4.06Å; K1159-F1163 HydrophobicContact CD-CD2 4.29Å; K1159-F1163 HydrophobicContact CD-CE2 3.75Å; K1159-F1163 HydrophobicContact CG-CD2 3.91Å; K1159-F1163 HydrophobicContact CG-CE2 3.61Å; K1159-F1163 HydrophobicContact CG-CZ 4.5Å; K1159-F1163 WeakPolarHBondContact O-CD2 3.22Å; K1159-F1163 PolarHBondContact O-N 3.36Å; N1160-F1163 CarbonylContact O-C 3.48Å; N1160-F1163 PolarHBondContact O-N 3.14Å; F1163-A1165 VanDerWaalsContact C-N 3.34Å; F1163-A1165 PolarHBondContact O-N 3.32Å; F1163-V1166 CarbonylContact O-C 3.58Å; F1163-V1166 WeakPolarHBondContact O-CB 3.49Å; F1163-V1166 PolarHBondContact O-N 3.37Å; F1163-L1167 WeakPolarHBondContact O-CB 3.1Å; F1163-L1167 PolarHBondContact O-N 3.28Å
1164A90.5Very high89Confident35 Ų3546.4 Ų46.429%0.28924%0.239SC..Hα-helixtrans-65.1-37.717400000112.1T1069 N1160 Q1161 L1162 L1167 L1168T1069-A1164 HydrophobicContact CG2-CB 4.19Å; N1160-A1164 WeakPolarHBondContact O-CB 3.49Å; N1160-A1164 PolarHBondContact O-N 2.9Å; Q1161-A1164 WeakPolarHBondContact O-CB 3.44Å; Q1161-A1164 PolarHBondContact O-N 3.28Å; L1162-A1164 VanDerWaalsContact C-N 3.33Å; L1162-A1164 PolarHBondContact O-N 3.04Å; A1164-L1167 WeakPolarHBondContact O-CB 2.94Å; A1164-L1167 PolarHBondContact O-N 3.01Å; A1164-L1168 PolarHBondContact O-N 3.2Å; A1164-L1168 VanDerWaalsContact O-N 3.09Å
1165A89.7Confident88.7Confident38 Ų3846.5 Ų46.531%0.31424%0.237SC..Hα-helixtrans-64.7-42171.800000111.7Q1161 L1162 F1163 L1167 L1168 V1169Q1161-A1165 PolarHBondContact O-N 2.85Å; L1162-A1165 PolarHBondContact O-N 3.39Å; F1163-A1165 VanDerWaalsContact C-N 3.34Å; F1163-A1165 PolarHBondContact O-N 3.32Å; A1165-L1167 VanDerWaalsContact C-N 3.31Å; A1165-L1167 PolarHBondContact O-N 3.43Å; A1165-L1168 PolarHBondContact O-N 2.67Å; A1165-V1169 PolarHBondContact O-N 2.93Å
1166V91.1Very high88.3Confident0 Ų049 Ų490%025%0.247CC..Hα-helixtrans-60.1-43.1172.5173.50000110.6L1065 T1118 F1121 L1162 F1163 L1168 V1169 T1170L1065-V1166 HydrophobicContact CD1-CG1 3.83Å; L1065-V1166 HydrophobicContact CD2-CB 4.21Å; L1065-V1166 HydrophobicContact CD2-CG1 4.13Å; T1118-V1166 HydrophobicContact CG2-CG1 3.49Å; T1118-V1166 VanDerWaalsContact CG2-CG1 3.49Å; F1121-V1166 HydrophobicContact CB-CG2 3.49Å; F1121-V1166 VanDerWaalsContact CB-CG2 3.49Å; L1162-V1166 WeakPolarHBondContact O-CG2 3.46Å; L1162-V1166 PolarHBondContact O-N 2.97Å; F1163-V1166 CarbonylContact O-C 3.58Å; F1163-V1166 WeakPolarHBondContact O-CB 3.49Å; F1163-V1166 PolarHBondContact O-N 3.37Å; V1166-L1168 VanDerWaalsContact C-N 3.31Å; V1166-L1168 PolarHBondContact O-N 2.89Å; V1166-V1169 PolarHBondContact O-N 3.29Å; V1166-V1169 VanDerWaalsContact O-N 3.15Å; V1166-T1170 HydrophobicContact CG1-CG2 4.18Å; V1166-T1170 WeakPolarHBondContact O-CG2 3.41Å; V1166-T1170 PolarHBondContact O-N 3.46Å
1167L91.7Very high88.2Confident25 Ų2550.3 Ų50.313%0.13125%0.253CS..Hα-helixtrans-56.7-45.3178.1-179.465.3000111.2T1062 L1065 T1066 F1163 A1164 A1165 V1169 T1170 F1171T1062-L1167 HydrophobicContact CG2-CD1 3.8Å; L1065-L1167 HydrophobicContact CB-CD1 4.21Å; L1065-L1167 HydrophobicContact CD2-CB 3.69Å; L1065-L1167 HydrophobicContact CD2-CD1 4.37Å; T1066-L1167 HydrophobicContact CG2-CD1 3.53Å; T1066-L1167 HydrophobicContact CG2-CD2 3.8Å; T1066-L1167 HydrophobicContact CG2-CG 4.3Å; F1163-L1167 WeakPolarHBondContact O-CB 3.1Å; F1163-L1167 PolarHBondContact O-N 3.28Å; A1164-L1167 WeakPolarHBondContact O-CB 2.94Å; A1164-L1167 PolarHBondContact O-N 3.01Å; A1165-L1167 VanDerWaalsContact C-N 3.31Å; A1165-L1167 PolarHBondContact O-N 3.43Å; L1167-V1169 VanDerWaalsContact C-N 3.34Å; L1167-V1169 PolarHBondContact O-N 3.05Å; L1167-T1170 WeakPolarHBondContact CA-OG1 3.37Å; L1167-T1170 PolarHBondContact O-N 3.1Å; L1167-T1170 VanDerWaalsContact O-N 3.15Å; L1167-T1170 PolarHBondContact O-OG1 2.65Å; L1167-F1171 HydrophobicContact CD1-CD2 4.04Å; L1167-F1171 HydrophobicContact CD1-CE2 3.69Å; L1167-F1171 HydrophobicContact CD2-CE2 4.36Å; L1167-F1171 HydrophobicContact CG-CD2 4Å; L1167-F1171 HydrophobicContact CG-CE2 3.86Å; L1167-F1171 WeakPolarHBondContact O-CD2 3.46Å; L1167-F1171 PolarHBondContact O-N 2.89Å
1168L89.9Confident88Confident115 Ų11547.6 Ų47.660%0.60225%0.248SC*.Hα-helixtrans-60.3-43.1177.9-168.2127.3000112A1164 A1165 V1166 F1171 M1172A1164-L1168 PolarHBondContact O-N 3.2Å; A1164-L1168 VanDerWaalsContact O-N 3.09Å; A1165-L1168 PolarHBondContact O-N 2.67Å; V1166-L1168 VanDerWaalsContact C-N 3.31Å; V1166-L1168 PolarHBondContact O-N 2.89Å; L1168-F1171 PolarHBondContact O-N 3.36Å; L1168-M1172 HydrophobicContact CD2-SD 4.47Å; L1168-M1172 PolarHBondContact O-N 3.25Å
1169V87.7Confident87.8Confident23 Ų2346.3 Ų46.314%0.13924%0.24CC..Hα-helixtrans-67.3-35.7175.8176.70000111.8F1117 A1165 V1166 L1167 F1171 M1172 H1173F1117-V1169 HydrophobicContact CD1-CB 4.1Å; F1117-V1169 HydrophobicContact CD1-CG1 4.23Å; F1117-V1169 HydrophobicContact CD1-CG2 3.55Å; F1117-V1169 HydrophobicContact CE1-CB 4.41Å; F1117-V1169 HydrophobicContact CE1-CG2 3.52Å; F1117-V1169 HydrophobicContact CG-CG2 4.35Å; F1117-V1169 HydrophobicContact CZ-CG2 4.29Å; A1165-V1169 PolarHBondContact O-N 2.93Å; V1166-V1169 PolarHBondContact O-N 3.29Å; V1166-V1169 VanDerWaalsContact O-N 3.15Å; L1167-V1169 VanDerWaalsContact C-N 3.34Å; L1167-V1169 PolarHBondContact O-N 3.05Å; V1169-F1171 VanDerWaalsContact C-N 3.31Å; V1169-F1171 PolarHBondContact O-N 2.94Å; V1169-M1172 PolarHBondContact O-N 3.22Å; V1169-H1173 PolarHBondContact O-N 3.32Å
1170T88.1Confident87.6Confident1 Ų147.6 Ų47.61%0.00625%0.248CC..Hα-helixtrans-64.4-36.3173.665.60000112.1H1058 F1061 T1118 V1166 L1167 H1173H1058-T1170 PolarHBondContact CE1-O 3.07Å; H1058-T1170 VanDerWaalsContact CE1-O 3.29Å; F1061-T1170 HydrophobicContact CD1-CG2 4.01Å; F1061-T1170 HydrophobicContact CE1-CG2 3.54Å; T1118-T1170 HydrophobicContact CG2-CG2 4.46Å; V1166-T1170 HydrophobicContact CG1-CG2 4.18Å; V1166-T1170 WeakPolarHBondContact O-CG2 3.41Å; V1166-T1170 PolarHBondContact O-N 3.46Å; L1167-T1170 WeakPolarHBondContact CA-OG1 3.37Å; L1167-T1170 PolarHBondContact O-N 3.1Å; L1167-T1170 VanDerWaalsContact O-N 3.15Å; L1167-T1170 PolarHBondContact O-OG1 2.65Å; T1170-H1173 WeakPolarHBondContact O-CB 3.41Å; T1170-H1173 PolarHBondContact O-N 2.85Å
1171F89.3Confident87.5Confident109 Ų10951.2 Ų51.248%0.47826%0.264SS..Hα-helixtrans-65.9-40.6172.8-87.2-73.3000112.1T1062 L1167 L1168 V1169 H1173 Y1174T1062-F1171 HydrophobicContact CG2-CD2 4.44Å; T1062-F1171 HydrophobicContact CG2-CE1 4.37Å; T1062-F1171 HydrophobicContact CG2-CE2 3.98Å; T1062-F1171 HydrophobicContact CG2-CZ 3.93Å; L1167-F1171 HydrophobicContact CD1-CD2 4.04Å; L1167-F1171 HydrophobicContact CD1-CE2 3.69Å; L1167-F1171 HydrophobicContact CD2-CE2 4.36Å; L1167-F1171 HydrophobicContact CG-CD2 4Å; L1167-F1171 HydrophobicContact CG-CE2 3.86Å; L1167-F1171 WeakPolarHBondContact O-CD2 3.46Å; L1167-F1171 PolarHBondContact O-N 2.89Å; L1168-F1171 PolarHBondContact O-N 3.36Å; V1169-F1171 VanDerWaalsContact C-N 3.31Å; V1169-F1171 PolarHBondContact O-N 2.94Å; F1171-H1173 PolarHBondContact O-N 3.13Å; F1171-Y1174 AromaticContact CD1-CD2 3.82Å; F1171-Y1174 HydrophobicContact CD1-CD2 3.82Å; F1171-Y1174 AromaticContact CD1-CE2 3.73Å; F1171-Y1174 HydrophobicContact CD1-CE2 3.73Å; F1171-Y1174 HydrophobicContact CE1-CD2 4.48Å; F1171-Y1174 HydrophobicContact CE1-CE2 4.02Å; F1171-Y1174 HydrophobicContact CG-CE2 4.46Å; F1171-Y1174 WeakPolarHBondContact O-CB 3.49Å; F1171-Y1174 WeakPolarHBondContact O-CD2 3.46Å; F1171-Y1174 PolarHBondContact O-N 3.48Å; F1171-Y1174 VanDerWaalsContact O-N 3.13Å
1172M85Confident87.2Confident116 Ų11652.6 Ų52.657%0.57127%0.27SS*.Hα-helixtrans-60.5-34.5173.4-68.9-173.175.200112L1168 V1169 Y1174 L1175L1168-M1172 HydrophobicContact CD2-SD 4.47Å; L1168-M1172 PolarHBondContact O-N 3.25Å; V1169-M1172 PolarHBondContact O-N 3.22Å; M1172-Y1174 PolarHBondContact O-N 3.35Å; M1172-L1175 VanDerWaalsContact O-CB 3.27Å; M1172-L1175 WeakPolarHBondContact O-CB 3.48Å; M1172-L1175 PolarHBondContact O-N 2.99Å
1173H84.8Confident87Confident28 Ų2857 Ų5713%0.1329%0.293CS..Hα-helixtrans-65.1-18.6178.3-16264.5000113.4H1058 S1114 V1169 T1170 F1171 L1175 E1176 F1177H1058-H1173 AromaticContact CD2-CD2 3.68Å; H1058-H1173 AromaticContact NE2-CD2 3.37Å; H1058-H1173 PolarHBondContact NE2-CD2 3.15Å; S1114-H1173 PolarHBondContact OG-ND1 3.23Å; V1169-H1173 PolarHBondContact O-N 3.32Å; T1170-H1173 WeakPolarHBondContact O-CB 3.41Å; T1170-H1173 PolarHBondContact O-N 2.85Å; F1171-H1173 PolarHBondContact O-N 3.13Å; H1173-L1175 PolarHBondContact O-N 2.86Å; H1173-E1176 IonicContact CE1-OE1 3.12Å; H1173-E1176 PolarHBondContact CE1-OE1 3.23Å; H1173-E1176 IonicContact CE1-OE2 2.63Å; H1173-E1176 PolarHBondContact CE1-OE2 2.68Å; H1173-E1176 IonicContact ND1-OE1 3.15Å; H1173-E1176 PolarHBondContact ND1-OE1 3.41Å; H1173-E1176 IonicContact ND1-OE2 3.99Å; H1173-E1176 PolarHBondContact ND1-OE2 2.98Å; H1173-E1176 WeakPolarHBondContact O-CB 3.34Å; H1173-E1176 PolarHBondContact O-N 3.41Å; H1173-E1176 VanDerWaalsContact O-N 3.07Å; H1173-F1177 AromaticContact CD2-CE2 3.58Å; H1173-F1177 AromaticContact NE2-CE2 3.94Å; H1173-F1177 WeakPolarHBondContact O-CD2 3.49Å
1174Y86.7Confident86.9Confident47 Ų4761 Ų6118%0.18431%0.311CS..Hα-helixtrans-62.3-26.5169.4-71.3-57.8000113.3L1055 H1058 I1059 T1062 F1171 M1172 E1176 F1177 L1178L1055-Y1174 HydrophobicContact CD1-CD1 4.27Å; L1055-Y1174 HydrophobicContact CD1-CE1 4.27Å; H1058-Y1174 AromaticContact ND1-CE1 3.66Å; H1058-Y1174 AromaticContact ND1-CZ 3.88Å; I1059-Y1174 WeakPolarHBondContact CA-OH 3.4Å; I1059-Y1174 HydrophobicContact CG1-CE1 3.81Å; T1062-Y1174 WeakPolarHBondContact CB-OH 3.15Å; T1062-Y1174 HydrophobicContact CG2-CE2 4.28Å; T1062-Y1174 PolarHBondContact OG1-OH 3.22Å; F1171-Y1174 AromaticContact CD1-CD2 3.82Å; F1171-Y1174 HydrophobicContact CD1-CD2 3.82Å; F1171-Y1174 AromaticContact CD1-CE2 3.73Å; F1171-Y1174 HydrophobicContact CD1-CE2 3.73Å; F1171-Y1174 HydrophobicContact CE1-CD2 4.48Å; F1171-Y1174 HydrophobicContact CE1-CE2 4.02Å; F1171-Y1174 HydrophobicContact CG-CE2 4.46Å; F1171-Y1174 WeakPolarHBondContact O-CB 3.49Å; F1171-Y1174 WeakPolarHBondContact O-CD2 3.46Å; F1171-Y1174 PolarHBondContact O-N 3.48Å; F1171-Y1174 VanDerWaalsContact O-N 3.13Å; M1172-Y1174 PolarHBondContact O-N 3.35Å; Y1174-E1176 PolarHBondContact O-N 2.9Å; Y1174-F1177 HydrophobicContact CD1-CD2 4.37Å; Y1174-F1177 PolarHBondContact O-N 3.24Å; Y1174-L1178 WeakPolarHBondContact O-CG 3.24Å; Y1174-L1178 PolarHBondContact O-N 3.09Å
1175L81.5Confident86.6Confident74 Ų7459.3 Ų59.339%0.38730%0.297SS..Hα-helixtrans-61.9-35.3173.6-66.1174.9000111.3M1172 H1173 L1178 T1179 W1187M1172-L1175 VanDerWaalsContact O-CB 3.27Å; M1172-L1175 WeakPolarHBondContact O-CB 3.48Å; M1172-L1175 PolarHBondContact O-N 2.99Å; H1173-L1175 PolarHBondContact O-N 2.86Å; L1175-L1178 PolarHBondContact O-N 3.32Å; L1175-T1179 WeakPolarHBondContact O-CG2 3.25Å; L1175-T1179 PolarHBondContact O-N 3.22Å; L1175-W1187 HydrophobicContact CD2-CZ3 3.8Å
1176E79.8Confident86.6Confident78 Ų7858.6 Ų58.636%0.36429%0.289SS..Hα-helixtrans-64.5-43.7175.3-68.2-178.3-139.200111.3S1114 H1173 Y1174 T1179S1114-E1176 PolarHBondContact OG-OE1 3.2Å; H1173-E1176 IonicContact CE1-OE1 3.12Å; H1173-E1176 PolarHBondContact CE1-OE1 3.23Å; H1173-E1176 IonicContact CE1-OE2 2.63Å; H1173-E1176 PolarHBondContact CE1-OE2 2.68Å; H1173-E1176 IonicContact ND1-OE1 3.15Å; H1173-E1176 PolarHBondContact ND1-OE1 3.41Å; H1173-E1176 IonicContact ND1-OE2 3.99Å; H1173-E1176 PolarHBondContact ND1-OE2 2.98Å; H1173-E1176 WeakPolarHBondContact O-CB 3.34Å; H1173-E1176 PolarHBondContact O-N 3.41Å; H1173-E1176 VanDerWaalsContact O-N 3.07Å; Y1174-E1176 PolarHBondContact O-N 2.9Å; E1176-T1179 WeakPolarHBondContact O-CB 3.45Å; E1176-T1179 PolarHBondContact O-N 2.6Å; E1176-T1179 PolarHBondContact O-OG1 3.13Å
1177F85Confident86.5Confident29 Ų2964.7 Ų64.713%0.12731%0.312CS..Hα-helixtrans-66-38175.5-69.9-74.7000112.7F1051 L1055 H1058 H1173 Y1174 T1179F1051-F1177 HydrophobicContact CD2-CD1 4.39Å; F1051-F1177 AromaticContact CE2-CD1 3.59Å; F1051-F1177 HydrophobicContact CE2-CD1 3.59Å; F1051-F1177 HydrophobicContact CE2-CE1 4.36Å; F1051-F1177 HydrophobicContact CZ-CB 4.07Å; F1051-F1177 AromaticContact CZ-CD1 3.77Å; F1051-F1177 HydrophobicContact CZ-CD1 3.77Å; F1051-F1177 HydrophobicContact CZ-CG 4.43Å; F1051-F1177 WeakPolarHBondContact CZ-O 3.48Å; L1055-F1177 HydrophobicContact CB-CD1 4.26Å; L1055-F1177 HydrophobicContact CB-CE1 4.38Å; L1055-F1177 HydrophobicContact CD1-CB 3.94Å; L1055-F1177 HydrophobicContact CD1-CD1 4.02Å; L1055-F1177 HydrophobicContact CD1-CD2 3.97Å; L1055-F1177 HydrophobicContact CD1-CE2 4.46Å; L1055-F1177 HydrophobicContact CD1-CG 3.72Å; H1058-F1177 HydrophobicContact CB-CE2 3.88Å; H1058-F1177 HydrophobicContact CB-CZ 4.02Å; H1058-F1177 AromaticContact CD2-CE2 3.95Å; H1058-F1177 AromaticContact CG-CE2 3.69Å; H1173-F1177 AromaticContact CD2-CE2 3.58Å; H1173-F1177 AromaticContact NE2-CE2 3.94Å; H1173-F1177 WeakPolarHBondContact O-CD2 3.49Å; Y1174-F1177 HydrophobicContact CD1-CD2 4.37Å; Y1174-F1177 PolarHBondContact O-N 3.24Å; F1177-T1179 PolarHBondContact O-N 3.48Å
1178L85.7Confident86.1Confident78 Ų7865.1 Ų65.141%0.40832%0.319SS..Hα-helixtrans-68.5-17.4178.1-73.4170.1000113.1Y1174 L1175 V1180 H1181 F1184Y1174-L1178 WeakPolarHBondContact O-CG 3.24Å; Y1174-L1178 PolarHBondContact O-N 3.09Å; L1175-L1178 PolarHBondContact O-N 3.32Å; L1178-V1180 PolarHBondContact O-N 3.14Å; L1178-V1180 VanDerWaalsContact O-N 3.09Å; L1178-H1181 PolarHBondContact O-N 3.35Å; L1178-F1184 HydrophobicContact CB-CB 4.33Å
1179T84.5Confident85.8Confident36 Ų3660.3 Ų60.322%0.22130%0.295CS..THydrogen-bonded Turntrans-60.7-18.8177.966.50000114.1L1175 E1176 F1177 H1181 G1185 A1188 W1310L1175-T1179 WeakPolarHBondContact O-CG2 3.25Å; L1175-T1179 PolarHBondContact O-N 3.22Å; E1176-T1179 WeakPolarHBondContact O-CB 3.45Å; E1176-T1179 PolarHBondContact O-N 2.6Å; E1176-T1179 PolarHBondContact O-OG1 3.13Å; F1177-T1179 PolarHBondContact O-N 3.48Å; T1179-H1181 PolarHBondContact O-N 3.4Å; T1179-G1185 WeakPolarHBondContact O-CA 3.46Å; T1179-A1188 HydrophobicContact CG2-CB 3.54Å; T1179-W1310 PolarHBondContact O-NE1 3.18Å
1180V85.2Confident85.9Confident29 Ų2959.8 Ų59.818%0.17629%0.291CS..THydrogen-bonded Turntrans-61.9-30.5174.31770000111.5W1007 F1051 L1178 L1317W1007-V1180 HydrophobicContact CH2-CG1 4.27Å; W1007-V1180 HydrophobicContact CH2-CG2 4.19Å; W1007-V1180 HydrophobicContact CZ2-CG1 3.83Å; W1007-V1180 HydrophobicContact CZ2-CG2 4.47Å; F1051-V1180 HydrophobicContact CD2-CG2 4.4Å; F1051-V1180 HydrophobicContact CE1-CG2 4.39Å; F1051-V1180 HydrophobicContact CE2-CG2 3.69Å; F1051-V1180 HydrophobicContact CZ-CG2 3.7Å; L1178-V1180 PolarHBondContact O-N 3.14Å; L1178-V1180 VanDerWaalsContact O-N 3.09Å; V1180-L1317 HydrophobicContact CG2-CD2 3.36Å
1181H86.5Confident85.8Confident91 Ų9162.3 Ų62.342%0.42130%0.304SS..SBendtrans-84.3131.5-174.3-168.2-94.7000111.7L1178 T1179 L1183 F1184 G1185L1178-H1181 PolarHBondContact O-N 3.35Å; T1179-H1181 PolarHBondContact O-N 3.4Å; H1181-L1183 WeakPolarHBondContact ND1-CB 3.3Å; H1181-L1183 PolarHBondContact ND1-N 3.39Å; H1181-L1183 PolarHBondContact O-N 3.01Å; H1181-F1184 HydrophobicContact CB-CD2 4.4Å; H1181-F1184 PolarHBondContact O-N 3.24Å; H1181-G1185 PolarHBondContact O-N 2.9Å
1182H86.6Confident85.5Confident122 Ų12263.2 Ų63.257%0.56531%0.305SS*.THydrogen-bonded Turntrans-54.9-28.8-176.373.1-36.4000116.1P1186 W1310H1182-P1186 WeakPolarHBondContact O-CD 3.23Å; H1182-W1310 VanDerWaalsContact CA-CZ2 3.42Å; H1182-W1310 HydrophobicContact CB-CH2 3.35Å; H1182-W1310 HydrophobicContact CB-CZ2 3.98Å; H1182-W1310 HydrophobicContact CB-CZ3 3.94Å
1183L87.2Confident85.5Confident121 Ų12159.4 Ų59.463%0.63429%0.286SS*.THydrogen-bonded Turntrans-75.4-34.1179.3-164.274000112.6H1181H1181-L1183 WeakPolarHBondContact ND1-CB 3.3Å; H1181-L1183 PolarHBondContact ND1-N 3.39Å; H1181-L1183 PolarHBondContact O-N 3.01Å
1184F87.3Confident85.8Confident85 Ų8559.6 Ų59.637%0.37329%0.288SS..THydrogen-bonded Turntrans-101.9-21.2-175.7-66.8-70.3000112.8L1178 H1181 W1187 A1188L1178-F1184 HydrophobicContact CB-CB 4.33Å; H1181-F1184 HydrophobicContact CB-CD2 4.4Å; H1181-F1184 PolarHBondContact O-N 3.24Å; F1184-W1187 WeakPolarHBondContact O-CB 3.49Å; F1184-W1187 PolarHBondContact O-N 2.88Å; F1184-A1188 PolarHBondContact O-N 3.47Å; F1184-A1188 VanDerWaalsContact O-N 3.14Å
1185G85.3Confident85.9Confident1 Ų162.5 Ų62.51%0.0131%0.305CS..Hα-helixtrans-54.7-60.2-179.300000114.2T1179 H1181 W1187 A1188 W1310T1179-G1185 WeakPolarHBondContact O-CA 3.46Å; H1181-G1185 PolarHBondContact O-N 2.9Å; G1185-W1187 PolarHBondContact O-N 3.44Å; G1185-A1188 PolarHBondContact O-N 3.49Å; G1185-W1310 VanDerWaalsContact C-CD1 3.44Å; G1185-W1310 VanDerWaalsContact CA-NE1 3.32Å
1186P89.1Confident86.2Confident23 Ų2366.3 Ų66.315%0.14932%0.315CS..Hα-helixtrans-59-32.5176.1-24.334.8000112.3H1182 A1188 V1189 I1190 W1310H1182-P1186 WeakPolarHBondContact O-CD 3.23Å; P1186-A1188 PolarHBondContact O-N 3.44Å; P1186-V1189 WeakPolarHBondContact O-CB 3.41Å; P1186-V1189 PolarHBondContact O-N 3.05Å; P1186-I1190 WeakPolarHBondContact O-CD1 3.37Å; P1186-I1190 VanDerWaalsContact O-CG1 3.24Å; P1186-I1190 WeakPolarHBondContact O-CG1 3.44Å; P1186-I1190 PolarHBondContact O-N 3.45Å; P1186-W1310 HydrophobicContact CG-CB 4.28Å; P1186-W1310 HydrophobicContact CG-CD2 4.22Å; P1186-W1310 HydrophobicContact CG-CE3 4.04Å; P1186-W1310 HydrophobicContact CG-CG 4.31Å
1187W89.2Confident86.6Confident127 Ų12763.8 Ų63.848%0.48130%0.304SS..Hα-helixtrans-62.8-41.3179.6-169.564000112.6L1175 F1184 G1185 V1189 I1190 I1191L1175-W1187 HydrophobicContact CD2-CZ3 3.8Å; F1184-W1187 WeakPolarHBondContact O-CB 3.49Å; F1184-W1187 PolarHBondContact O-N 2.88Å; G1185-W1187 PolarHBondContact O-N 3.44Å; W1187-V1189 VanDerWaalsContact C-N 3.3Å; W1187-V1189 PolarHBondContact O-N 3.34Å; W1187-I1190 PolarHBondContact O-N 3.35Å; W1187-I1191 HydrophobicContact CD2-CD1 3.4Å; W1187-I1191 VanDerWaalsContact CD2-CD1 3.4Å; W1187-I1191 HydrophobicContact CD2-CG1 4.13Å; W1187-I1191 VanDerWaalsContact CE2-CD1 3.5Å; W1187-I1191 HydrophobicContact CE3-CD1 3.39Å; W1187-I1191 HydrophobicContact CG-CD1 4.15Å; W1187-I1191 HydrophobicContact CH2-CD1 3.64Å; W1187-I1191 HydrophobicContact CZ2-CD1 3.63Å; W1187-I1191 HydrophobicContact CZ2-CG1 4.26Å; W1187-I1191 HydrophobicContact CZ3-CD1 3.51Å; W1187-I1191 VanDerWaalsContact O-CG1 3.28Å; W1187-I1191 WeakPolarHBondContact O-CG1 3.28Å; W1187-I1191 PolarHBondContact O-N 2.86Å
1188A83.3Confident86.9Confident34 Ų3465.5 Ų65.528%0.28131%0.314SS..Hα-helixtrans-62.3-37.7175.800000112.5T1179 F1184 G1185 P1186 R1192T1179-A1188 HydrophobicContact CG2-CB 3.54Å; F1184-A1188 PolarHBondContact O-N 3.47Å; F1184-A1188 VanDerWaalsContact O-N 3.14Å; G1185-A1188 PolarHBondContact O-N 3.49Å; P1186-A1188 PolarHBondContact O-N 3.44Å; A1188-R1192 PolarHBondContact O-N 2.8Å
1189V84.6Confident87.1Confident15 Ų1565.4 Ų65.49%0.09132%0.317CS..Hα-helixtrans-67.2-42.6175.3178.70000111P1186 W1187 R1192 N1193 E1309 W1310P1186-V1189 WeakPolarHBondContact O-CB 3.41Å; P1186-V1189 PolarHBondContact O-N 3.05Å; W1187-V1189 VanDerWaalsContact C-N 3.3Å; W1187-V1189 PolarHBondContact O-N 3.34Å; V1189-R1192 PolarHBondContact O-N 2.81Å; V1189-N1193 PolarHBondContact O-N 3.04Å; V1189-N1193 PolarHBondContact O-ND2 2.89Å; V1189-E1309 HydrophobicContact CG1-CB 3.92Å; V1189-E1309 VanDerWaalsContact CG1-OE2 3.28Å; V1189-E1309 WeakPolarHBondContact CG1-OE2 3.08Å; V1189-E1309 HydrophobicContact CG2-CB 4.34Å; V1189-W1310 HydrophobicContact CG2-CB 4.26Å
1190I88.9Confident87.3Confident11 Ų1171.7 Ų71.76%0.05634%0.337CS..Hα-helixtrans-64.5-46.2178.5-69.9165.5000110.7P1186 W1187 R1192 N1193 L1194 Y1299P1186-I1190 WeakPolarHBondContact O-CD1 3.37Å; P1186-I1190 VanDerWaalsContact O-CG1 3.24Å; P1186-I1190 WeakPolarHBondContact O-CG1 3.44Å; P1186-I1190 PolarHBondContact O-N 3.45Å; W1187-I1190 PolarHBondContact O-N 3.35Å; I1190-R1192 VanDerWaalsContact C-N 3.3Å; I1190-R1192 PolarHBondContact O-N 2.93Å; I1190-N1193 PolarHBondContact O-N 3.49Å; I1190-L1194 HydrophobicContact CG2-CD1 3.58Å; I1190-L1194 HydrophobicContact CG2-CG 4Å; I1190-L1194 WeakPolarHBondContact O-CG 3.41Å; I1190-L1194 PolarHBondContact O-N 2.95Å; I1190-Y1299 HydrophobicContact CD1-CD2 4.2Å; I1190-Y1299 HydrophobicContact CD1-CE2 3.78Å; I1190-Y1299 HydrophobicContact CG2-CD2 3.75Å; I1190-Y1299 HydrophobicContact CG2-CE2 4.23Å
1191I87Confident87.6Confident54 Ų5471 Ų7128%0.27733%0.331SS..Hα-helixtrans-55.1-47.7177-70.2160.7000110.5W1187 N1193 L1194 M1195W1187-I1191 HydrophobicContact CD2-CD1 3.4Å; W1187-I1191 VanDerWaalsContact CD2-CD1 3.4Å; W1187-I1191 HydrophobicContact CD2-CG1 4.13Å; W1187-I1191 VanDerWaalsContact CE2-CD1 3.5Å; W1187-I1191 HydrophobicContact CE3-CD1 3.39Å; W1187-I1191 HydrophobicContact CG-CD1 4.15Å; W1187-I1191 HydrophobicContact CH2-CD1 3.64Å; W1187-I1191 HydrophobicContact CZ2-CD1 3.63Å; W1187-I1191 HydrophobicContact CZ2-CG1 4.26Å; W1187-I1191 HydrophobicContact CZ3-CD1 3.51Å; W1187-I1191 VanDerWaalsContact O-CG1 3.28Å; W1187-I1191 WeakPolarHBondContact O-CG1 3.28Å; W1187-I1191 PolarHBondContact O-N 2.86Å; I1191-N1193 PolarHBondContact O-N 2.78Å; I1191-L1194 PolarHBondContact O-N 3.31Å; I1191-M1195 HydrophobicContact CG2-CG 4.3Å; I1191-M1195 WeakPolarHBondContact O-CG 3.31Å; I1191-M1195 PolarHBondContact O-N 3.16Å
1192R81.8Confident87.8Confident129 Ų12971.2 Ų71.249%0.48734%0.335SS..Hα-helixtrans-55.2-39.4178.9-179.2-176.964.5-165.5-2.3112A1188 V1189 I1190 Y1196 E1309A1188-R1192 PolarHBondContact O-N 2.8Å; V1189-R1192 PolarHBondContact O-N 2.81Å; I1190-R1192 VanDerWaalsContact C-N 3.3Å; I1190-R1192 PolarHBondContact O-N 2.93Å; R1192-Y1196 WeakPolarHBondContact O-CE2 3.36Å; R1192-E1309 IonicContact NH2-OE2 3.78Å; R1192-E1309 PolarHBondContact NH2-OE2 2.81Å
1193N86.1Confident88.1Confident35 Ų3569.5 Ų69.519%0.18733%0.333CS..Hα-helixtrans-79.3-39180-69.5-32.7000112.6V1189 I1190 I1191 M1195 Y1196 I1302V1189-N1193 PolarHBondContact O-N 3.04Å; V1189-N1193 PolarHBondContact O-ND2 2.89Å; I1190-N1193 PolarHBondContact O-N 3.49Å; I1191-N1193 PolarHBondContact O-N 2.78Å; N1193-M1195 PolarHBondContact O-N 3.01Å; N1193-Y1196 WeakPolarHBondContact O-CD2 3.36Å; N1193-Y1196 PolarHBondContact O-N 2.68Å; N1193-I1302 HydrophobicContact CB-CD1 3.7Å
1194L90.2Very high88.3Confident33 Ų3366.7 Ų66.717%0.17332%0.318CS..Hα-helixtrans-66.6-26175.7-68.8178.1000112.7I1190 I1191 Y1196 D1197 L1198 M1295 T1298I1190-L1194 HydrophobicContact CG2-CD1 3.58Å; I1190-L1194 HydrophobicContact CG2-CG 4Å; I1190-L1194 WeakPolarHBondContact O-CG 3.41Å; I1190-L1194 PolarHBondContact O-N 2.95Å; I1191-L1194 PolarHBondContact O-N 3.31Å; L1194-Y1196 PolarHBondContact O-N 3.43Å; L1194-D1197 PolarHBondContact O-N 3.09Å; L1194-D1197 VanDerWaalsContact O-N 3.13Å; L1194-L1198 PolarHBondContact O-N 3.43Å; L1194-M1295 HydrophobicContact CD2-CB 4Å; L1194-M1295 HydrophobicContact CD2-CG 4.23Å; L1194-M1295 WeakPolarHBondContact CD2-O 3.23Å; L1194-T1298 HydrophobicContact CD2-CG2 4.15Å
1195M88.9Confident88.5Confident107 Ų10763.1 Ų63.153%0.52730%0.303SS..Hα-helixtrans-58.5-30.1173.5-83.1-162.966.900112.9I1191 N1193 T1199I1191-M1195 HydrophobicContact CG2-CG 4.3Å; I1191-M1195 WeakPolarHBondContact O-CG 3.31Å; I1191-M1195 PolarHBondContact O-N 3.16Å; N1193-M1195 PolarHBondContact O-N 3.01Å; M1195-T1199 WeakPolarHBondContact O-CB 3.07Å; M1195-T1199 PolarHBondContact O-N 3.32Å; M1195-T1199 PolarHBondContact O-OG1 2.76Å
1196Y87.3Confident88.8Confident155 Ų15569.5 Ų69.561%0.60833%0.33SS*.Hα-helixtrans-67-42.8175.2-64.3-67.8000111.8R1192 N1193 L1194 T1199 R1200R1192-Y1196 WeakPolarHBondContact O-CE2 3.36Å; N1193-Y1196 WeakPolarHBondContact O-CD2 3.36Å; N1193-Y1196 PolarHBondContact O-N 2.68Å; L1194-Y1196 PolarHBondContact O-N 3.43Å; Y1196-T1199 PolarHBondContact O-N 3.3Å; Y1196-R1200 PolarHBondContact O-N 3.3Å
1197D89Confident88.9Confident24 Ų2473.8 Ų73.813%0.12835%0.351CS..Hα-helixtrans-68.4-40.6177.6-67.7-25.5000111.3L1194 T1199 R1200 F1201 T1298L1194-D1197 PolarHBondContact O-N 3.09Å; L1194-D1197 VanDerWaalsContact O-N 3.13Å; D1197-T1199 VanDerWaalsContact C-N 3.34Å; D1197-T1199 PolarHBondContact O-N 3.21Å; D1197-R1200 PolarHBondContact O-N 3.41Å; D1197-F1201 WeakPolarHBondContact O-CB 3.45Å; D1197-F1201 PolarHBondContact O-N 3.13Å; D1197-T1298 WeakPolarHBondContact OD2-CB 3.3Å; D1197-T1298 VanDerWaalsContact OD2-CG2 3.3Å; D1197-T1298 WeakPolarHBondContact OD2-CG2 3.48Å; D1197-T1298 PolarHBondContact OD2-OG1 2.82Å
1198L92Very high89Confident65 Ų6571.8 Ų71.834%0.3435%0.346SS..Hα-helixtrans-60.3-43.9173.4-179.165.1000111.3L1194 F1201 L1202 L1291L1194-L1198 PolarHBondContact O-N 3.43Å; L1198-F1201 HydrophobicContact CD1-CD1 4.26Å; L1198-F1201 PolarHBondContact O-N 3.1Å; L1198-L1202 HydrophobicContact CD1-CD1 4.49Å; L1198-L1202 HydrophobicContact CD1-CG 4.32Å; L1198-L1202 HydrophobicContact CG-CD1 4.13Å; L1198-L1202 HydrophobicContact CG-CG 4.37Å; L1198-L1202 WeakPolarHBondContact O-CB 3.42Å; L1198-L1202 WeakPolarHBondContact O-CG 3.44Å; L1198-L1202 PolarHBondContact O-N 3.38Å; L1198-L1291 HydrophobicContact CD1-CD1 4.4Å; L1198-L1291 HydrophobicContact CD1-CD2 4.13Å
1199T88.9Confident89.3Confident77 Ų7771 Ų7147%0.47234%0.337SS..Hα-helixtrans-63.5-44.9178.4-54.80000110.8M1195 Y1196 D1197 F1201 L1202 V1203M1195-T1199 WeakPolarHBondContact O-CB 3.07Å; M1195-T1199 PolarHBondContact O-N 3.32Å; M1195-T1199 PolarHBondContact O-OG1 2.76Å; Y1196-T1199 PolarHBondContact O-N 3.3Å; D1197-T1199 VanDerWaalsContact C-N 3.34Å; D1197-T1199 PolarHBondContact O-N 3.21Å; T1199-F1201 VanDerWaalsContact C-N 3.3Å; T1199-F1201 PolarHBondContact O-N 3.12Å; T1199-L1202 PolarHBondContact O-N 3.37Å; T1199-V1203 WeakPolarHBondContact O-CG2 3.43Å; T1199-V1203 PolarHBondContact O-N 3.1Å
1200R88.5Confident89.6Confident168 Ų16872.6 Ų72.663%0.63435%0.347SS*.Hα-helixtrans-59.1-42.5175.3177.9-179.2-93.5176.8-6.8111.5Y1196 D1197Y1196-R1200 PolarHBondContact O-N 3.3Å; D1197-R1200 PolarHBondContact O-N 3.41Å
1201F92.1Very high89.7Confident14 Ų1474.1 Ų74.16%0.06137%0.366CS..Hα-helixtrans-65.3-45.5176.1163.8-97000112.9D1197 L1198 T1199 V1203 I1204 M1205 L1287 I1288 L1291 M1294D1197-F1201 WeakPolarHBondContact O-CB 3.45Å; D1197-F1201 PolarHBondContact O-N 3.13Å; L1198-F1201 HydrophobicContact CD1-CD1 4.26Å; L1198-F1201 PolarHBondContact O-N 3.1Å; T1199-F1201 VanDerWaalsContact C-N 3.3Å; T1199-F1201 PolarHBondContact O-N 3.12Å; F1201-V1203 PolarHBondContact O-N 3.49Å; F1201-I1204 PolarHBondContact O-N 2.87Å; F1201-M1205 HydrophobicContact CE1-CB 4.35Å; F1201-M1205 HydrophobicContact CE1-CE 4.21Å; F1201-M1205 HydrophobicContact CE2-CE 3.78Å; F1201-M1205 HydrophobicContact CZ-CB 4.36Å; F1201-M1205 HydrophobicContact CZ-CE 3.32Å; F1201-M1205 PolarHBondContact O-N 2.98Å; F1201-L1287 HydrophobicContact CE2-CB 3.91Å; F1201-L1287 VanDerWaalsContact CE2-O 3.27Å; F1201-L1287 WeakPolarHBondContact CE2-O 3.27Å; F1201-I1288 HydrophobicContact CZ-CG1 4.24Å; F1201-L1291 HydrophobicContact CB-CD1 3.66Å; F1201-L1291 HydrophobicContact CD1-CB 4.4Å; F1201-L1291 HydrophobicContact CD1-CD1 4.05Å; F1201-L1291 HydrophobicContact CD1-CD2 3.7Å; F1201-L1291 HydrophobicContact CD1-CG 4.25Å; F1201-L1291 HydrophobicContact CD2-CB 3.61Å; F1201-L1291 HydrophobicContact CD2-CD1 4.28Å; F1201-L1291 HydrophobicContact CD2-CD2 4.41Å; F1201-L1291 HydrophobicContact CD2-CG 4.29Å; F1201-L1291 HydrophobicContact CE1-CD2 3.66Å; F1201-L1291 HydrophobicContact CE2-CB 3.71Å; F1201-L1291 HydrophobicContact CE2-CD2 4.34Å; F1201-L1291 HydrophobicContact CG-CB 3.94Å; F1201-L1291 HydrophobicContact CG-CD1 3.74Å; F1201-L1291 HydrophobicContact CG-CD2 4.06Å; F1201-L1291 HydrophobicContact CG-CG 4.1Å; F1201-L1291 HydrophobicContact CZ-CB 4.15Å; F1201-L1291 HydrophobicContact CZ-CD2 3.95Å; F1201-M1294 HydrophobicContact CB-CE 4.16Å
1202L91.1Very high90Very high95 Ų9573.1 Ų73.150%0.49736%0.359SS..Hα-helixtrans-59.9-35.6-178.9-77.6175.1000111.9L1198 T1199 M1205 F1206L1198-L1202 HydrophobicContact CD1-CD1 4.49Å; L1198-L1202 HydrophobicContact CD1-CG 4.32Å; L1198-L1202 HydrophobicContact CG-CD1 4.13Å; L1198-L1202 HydrophobicContact CG-CG 4.37Å; L1198-L1202 WeakPolarHBondContact O-CB 3.42Å; L1198-L1202 WeakPolarHBondContact O-CG 3.44Å; L1198-L1202 PolarHBondContact O-N 3.38Å; T1199-L1202 PolarHBondContact O-N 3.37Å; L1202-M1205 PolarHBondContact O-N 2.95Å; L1202-F1206 VanDerWaalsContact O-CB 3.29Å; L1202-F1206 WeakPolarHBondContact O-CB 3.49Å; L1202-F1206 PolarHBondContact O-N 3.1Å
1203V92.8Very high90.4Very high87 Ų8767.1 Ų67.153%0.52734%0.337SS..Hα-helixtrans-61.3-45.3173.8173.40000111.4T1199 F1201 L1207T1199-V1203 WeakPolarHBondContact O-CG2 3.43Å; T1199-V1203 PolarHBondContact O-N 3.1Å; F1201-V1203 PolarHBondContact O-N 3.49Å; V1203-L1207 HydrophobicContact CG1-CD1 4.49Å; V1203-L1207 PolarHBondContact O-N 3.35Å; V1203-L1207 VanDerWaalsContact O-N 3.12Å
1204I91.8Very high90.6Very high61 Ų6169.5 Ų69.531%0.31335%0.352SS..Hα-helixtrans-67.2-44.6178.9-61.7168.5000110.1F1201 F1206 L1207 F1208 L1287F1201-I1204 PolarHBondContact O-N 2.87Å; I1204-F1206 VanDerWaalsContact C-N 3.34Å; I1204-F1206 PolarHBondContact O-N 3.27Å; I1204-L1207 WeakPolarHBondContact O-CB 3.25Å; I1204-L1207 PolarHBondContact O-N 3.15Å; I1204-F1208 HydrophobicContact CG2-CD2 3.81Å; I1204-F1208 HydrophobicContact CG2-CE2 3.7Å; I1204-F1208 VanDerWaalsContact O-CD2 3.32Å; I1204-F1208 WeakPolarHBondContact O-CD2 3.46Å; I1204-F1208 PolarHBondContact O-N 3.19Å; I1204-F1208 VanDerWaalsContact O-N 3.09Å; I1204-L1287 HydrophobicContact CG2-CD2 3.85Å
1205M91.1Very high90.7Very high11 Ų1172 Ų725%0.05436%0.363CS..Hα-helixtrans-59.5-45.8178-174.560.782.500111.3F1201 L1202 L1207 F1208 M1209 L1249 T1283 L1287 I1288F1201-M1205 HydrophobicContact CE1-CB 4.35Å; F1201-M1205 HydrophobicContact CE1-CE 4.21Å; F1201-M1205 HydrophobicContact CE2-CE 3.78Å; F1201-M1205 HydrophobicContact CZ-CB 4.36Å; F1201-M1205 HydrophobicContact CZ-CE 3.32Å; F1201-M1205 PolarHBondContact O-N 2.98Å; L1202-M1205 PolarHBondContact O-N 2.95Å; M1205-L1207 VanDerWaalsContact C-N 3.33Å; M1205-L1207 PolarHBondContact O-N 3.34Å; M1205-F1208 PolarHBondContact O-N 3.23Å; M1205-M1209 WeakPolarHBondContact O-CB 3.32Å; M1205-M1209 PolarHBondContact O-N 2.96Å; M1205-L1249 HydrophobicContact CE-CD1 4.15Å; M1205-L1249 HydrophobicContact CE-CD2 3.93Å; M1205-L1249 HydrophobicContact CG-CD1 3.99Å; M1205-L1249 HydrophobicContact SD-CD1 3.7Å; M1205-L1249 HydrophobicContact SD-CD2 4.5Å; M1205-T1283 HydrophobicContact CE-CG2 4.43Å; M1205-T1283 HydrophobicContact SD-CG2 3.58Å; M1205-T1283 VanDerWaalsContact SD-CG2 3.58Å; M1205-L1287 HydrophobicContact CE-CB 3.77Å; M1205-L1287 HydrophobicContact CE-CD1 4.06Å; M1205-L1287 HydrophobicContact SD-CD1 3.85Å; M1205-I1288 HydrophobicContact CE-CG1 4.24Å
1206F90.4Very high90.7Very high134 Ų13467 Ų6759%0.58834%0.339SS*.Hα-helixtrans-63.2-37.3178.6-168.4-97.1000112.3L1202 I1204 M1209 T1210L1202-F1206 VanDerWaalsContact O-CB 3.29Å; L1202-F1206 WeakPolarHBondContact O-CB 3.49Å; L1202-F1206 PolarHBondContact O-N 3.1Å; I1204-F1206 VanDerWaalsContact C-N 3.34Å; I1204-F1206 PolarHBondContact O-N 3.27Å; F1206-M1209 PolarHBondContact O-N 3.34Å; F1206-T1210 HydrophobicContact CD1-CG2 3.9Å; F1206-T1210 HydrophobicContact CE1-CG2 3.53Å; F1206-T1210 HydrophobicContact CE2-CG2 4.33Å; F1206-T1210 HydrophobicContact CG-CG2 4.44Å; F1206-T1210 HydrophobicContact CZ-CG2 3.77Å; F1206-T1210 WeakPolarHBondContact O-CB 3.46Å; F1206-T1210 VanDerWaalsContact O-CG2 3.3Å; F1206-T1210 WeakPolarHBondContact O-CG2 3.36Å; F1206-T1210 PolarHBondContact O-N 2.72Å; F1206-T1210 PolarHBondContact O-OG1 3.35Å
1207L91.3Very high90.6Very high114 Ų11461.1 Ų61.160%0.59732%0.319SS*.Hα-helixtrans-62.2-46.9173.8-85165.9000112.5V1203 I1204 M1205 T1210 G1211V1203-L1207 HydrophobicContact CG1-CD1 4.49Å; V1203-L1207 PolarHBondContact O-N 3.35Å; V1203-L1207 VanDerWaalsContact O-N 3.12Å; I1204-L1207 WeakPolarHBondContact O-CB 3.25Å; I1204-L1207 PolarHBondContact O-N 3.15Å; M1205-L1207 VanDerWaalsContact C-N 3.33Å; M1205-L1207 PolarHBondContact O-N 3.34Å; L1207-T1210 PolarHBondContact O-OG1 3.23Å; L1207-G1211 PolarHBondContact O-N 3.4Å
1208F91.2Very high90.5Very high85 Ų8563.1 Ų63.137%0.37333%0.334SS..Hα-helixtrans-66.1-45.8176.1-80.1-74.6000111.1I1204 M1205 T1210 G1211 F1212 V1282 L1287I1204-F1208 HydrophobicContact CG2-CD2 3.81Å; I1204-F1208 HydrophobicContact CG2-CE2 3.7Å; I1204-F1208 VanDerWaalsContact O-CD2 3.32Å; I1204-F1208 WeakPolarHBondContact O-CD2 3.46Å; I1204-F1208 PolarHBondContact O-N 3.19Å; I1204-F1208 VanDerWaalsContact O-N 3.09Å; M1205-F1208 PolarHBondContact O-N 3.23Å; F1208-T1210 PolarHBondContact O-N 2.94Å; F1208-G1211 PolarHBondContact O-N 3.27Å; F1208-F1212 HydrophobicContact CB-CD2 4.29Å; F1208-F1212 HydrophobicContact CB-CE2 4.41Å; F1208-F1212 AromaticContact CD1-CE2 3.97Å; F1208-F1212 HydrophobicContact CD1-CE2 3.97Å; F1208-F1212 WeakPolarHBondContact O-CB 3.47Å; F1208-F1212 WeakPolarHBondContact O-CD2 3.3Å; F1208-F1212 PolarHBondContact O-N 3.45Å; F1208-V1282 HydrophobicContact CD1-CG1 3.82Å; F1208-V1282 HydrophobicContact CE1-CG1 3.97Å; F1208-V1282 HydrophobicContact CG-CG1 4.11Å; F1208-V1282 HydrophobicContact CZ-CG1 4.38Å; F1208-L1287 HydrophobicContact CB-CD1 4.24Å; F1208-L1287 HydrophobicContact CD2-CD1 3.54Å; F1208-L1287 HydrophobicContact CD2-CD2 4.37Å; F1208-L1287 HydrophobicContact CE2-CD1 4.16Å; F1208-L1287 HydrophobicContact CE2-CD2 4.2Å; F1208-L1287 HydrophobicContact CG-CD1 4.07Å
1209M90.7Very high90.3Very high16 Ų1660.8 Ų60.88%0.07932%0.323CS..Hα-helixtrans-58.4-46.5179.7-171.6-164.1140.200111.3M1205 F1206 F1212 T1213 A1242 M1245 F1246 Y1279M1205-M1209 WeakPolarHBondContact O-CB 3.32Å; M1205-M1209 PolarHBondContact O-N 2.96Å; F1206-M1209 PolarHBondContact O-N 3.34Å; M1209-F1212 PolarHBondContact O-N 3.46Å; M1209-T1213 WeakPolarHBondContact O-CB 3.31Å; M1209-T1213 PolarHBondContact O-N 3.16Å; M1209-T1213 PolarHBondContact O-OG1 3.4Å; M1209-A1242 HydrophobicContact CE-CB 4.05Å; M1209-A1242 WeakPolarHBondContact CE-O 3.45Å; M1209-M1245 HydrophobicContact CG-CB 4.44Å; M1209-F1246 HydrophobicContact CE-CB 3.66Å; M1209-F1246 HydrophobicContact SD-CB 3.97Å; M1209-F1246 HydrophobicContact SD-CD2 4.04Å; M1209-Y1279 HydrophobicContact CG-CE2 4.49Å
1210T90.2Very high90Very high49 Ų4958 Ų5830%0.30130%0.304SS..Hα-helixtrans-63.8-44.2175.5490000112.2F1206 L1207 F1208 F1212 T1213 V1214F1206-T1210 HydrophobicContact CD1-CG2 3.9Å; F1206-T1210 HydrophobicContact CE1-CG2 3.53Å; F1206-T1210 HydrophobicContact CE2-CG2 4.33Å; F1206-T1210 HydrophobicContact CG-CG2 4.44Å; F1206-T1210 HydrophobicContact CZ-CG2 3.77Å; F1206-T1210 WeakPolarHBondContact O-CB 3.46Å; F1206-T1210 VanDerWaalsContact O-CG2 3.3Å; F1206-T1210 WeakPolarHBondContact O-CG2 3.36Å; F1206-T1210 PolarHBondContact O-N 2.72Å; F1206-T1210 PolarHBondContact O-OG1 3.35Å; L1207-T1210 PolarHBondContact O-OG1 3.23Å; F1208-T1210 PolarHBondContact O-N 2.94Å; T1210-F1212 PolarHBondContact O-N 3.29Å; T1210-T1213 PolarHBondContact O-N 2.9Å; T1210-V1214 WeakPolarHBondContact O-CG2 3.5Å; T1210-V1214 PolarHBondContact O-N 3.36Å
1211G91.8Very high89.6Confident44 Ų4456.3 Ų56.345%0.45430%0.304SS..Hα-helixtrans-58.8-47.1176.300000113.1L1207 F1208 H1215L1207-G1211 PolarHBondContact O-N 3.4Å; F1208-G1211 PolarHBondContact O-N 3.27Å; G1211-H1215 PolarHBondContact O-N 3.33Å
1212F92.2Very high88.9Confident33 Ų3358.4 Ų58.415%0.14532%0.319CS..Hα-helixtrans-69.7-35.3176.3-77.4-71.2000112.4F1208 M1209 T1210 H1215 V1216 M1245 V1275 Y1279 V1282F1208-F1212 HydrophobicContact CB-CD2 4.29Å; F1208-F1212 HydrophobicContact CB-CE2 4.41Å; F1208-F1212 AromaticContact CD1-CE2 3.97Å; F1208-F1212 HydrophobicContact CD1-CE2 3.97Å; F1208-F1212 WeakPolarHBondContact O-CB 3.47Å; F1208-F1212 WeakPolarHBondContact O-CD2 3.3Å; F1208-F1212 PolarHBondContact O-N 3.45Å; M1209-F1212 PolarHBondContact O-N 3.46Å; T1210-F1212 PolarHBondContact O-N 3.29Å; F1212-H1215 PolarHBondContact O-N 2.76Å; F1212-V1216 WeakPolarHBondContact O-CB 3.36Å; F1212-V1216 VanDerWaalsContact O-CG2 3.31Å; F1212-V1216 WeakPolarHBondContact O-CG2 3.15Å; F1212-V1216 PolarHBondContact O-N 2.76Å; F1212-M1245 HydrophobicContact CB-CE 4.34Å; F1212-V1275 HydrophobicContact CD1-CG1 4.01Å; F1212-Y1279 HydrophobicContact CB-CD2 3.61Å; F1212-Y1279 HydrophobicContact CB-CE2 4.34Å; F1212-Y1279 HydrophobicContact CB-CG 4.37Å; F1212-Y1279 HydrophobicContact CD1-CD2 4.46Å; F1212-Y1279 AromaticContact CD2-CD2 3.54Å; F1212-Y1279 HydrophobicContact CD2-CD2 3.54Å; F1212-Y1279 HydrophobicContact CD2-CE2 4.41Å; F1212-Y1279 HydrophobicContact CD2-CG 4.4Å; F1212-Y1279 HydrophobicContact CE2-CD2 4.29Å; F1212-Y1279 AromaticContact CG-CD2 3.64Å; F1212-Y1279 HydrophobicContact CG-CD2 3.64Å; F1212-Y1279 HydrophobicContact CG-CG 4.29Å; F1212-V1282 HydrophobicContact CE2-CB 4.28Å; F1212-V1282 HydrophobicContact CE2-CG1 4.34Å; F1212-V1282 HydrophobicContact CZ-CB 4.5Å; F1212-V1282 HydrophobicContact CZ-CG2 4.31Å
1213T91.2Very high88.3Confident3 Ų357.1 Ų57.12%0.01832%0.322CS..Hα-helixtrans-62.4-46.7175.2-59.80000110.8M1209 T1210 H1215 V1216 T1217 L1238 V1241 A1242M1209-T1213 WeakPolarHBondContact O-CB 3.31Å; M1209-T1213 PolarHBondContact O-N 3.16Å; M1209-T1213 PolarHBondContact O-OG1 3.4Å; T1210-T1213 PolarHBondContact O-N 2.9Å; T1213-H1215 VanDerWaalsContact C-N 3.3Å; T1213-H1215 PolarHBondContact O-N 3.47Å; T1213-V1216 PolarHBondContact O-N 3.28Å; T1213-T1217 WeakPolarHBondContact O-CB 3.45Å; T1213-T1217 PolarHBondContact O-N 3.19Å; T1213-T1217 PolarHBondContact O-OG1 2.97Å; T1213-L1238 HydrophobicContact CG2-CD1 3.77Å; T1213-L1238 HydrophobicContact CG2-CG 4.46Å; T1213-V1241 HydrophobicContact CG2-CB 3.97Å; T1213-V1241 HydrophobicContact CG2-CG1 3.9Å; T1213-A1242 VanDerWaalsContact CG2-CA 3.49Å; T1213-A1242 HydrophobicContact CG2-CB 3.79Å; T1213-A1242 VanDerWaalsContact CG2-N 3.34Å
1214V90.7Very high87.7Confident84 Ų8459.1 Ų59.151%0.50932%0.321SS..Hα-helixtrans-61.1-41.7175.2172.70000110.4T1210 T1217 S1218 L1238T1210-V1214 WeakPolarHBondContact O-CG2 3.5Å; T1210-V1214 PolarHBondContact O-N 3.36Å; V1214-T1217 PolarHBondContact O-N 3.42Å; V1214-S1218 PolarHBondContact O-N 2.78Å; V1214-L1238 HydrophobicContact CG2-CD1 4.13Å
1215H90.9Very high86.8Confident86 Ų8660.6 Ų60.640%0.39834%0.343SS..Hα-helixtrans-63.4-46.4176.8-165.9-50000111.8G1211 F1212 T1213 T1217 S1218 V1219 V1275G1211-H1215 PolarHBondContact O-N 3.33Å; F1212-H1215 PolarHBondContact O-N 2.76Å; T1213-H1215 VanDerWaalsContact C-N 3.3Å; T1213-H1215 PolarHBondContact O-N 3.47Å; H1215-T1217 VanDerWaalsContact C-N 3.35Å; H1215-T1217 PolarHBondContact O-N 3.44Å; H1215-S1218 PolarHBondContact O-N 3.49Å; H1215-S1218 PolarHBondContact O-OG 3.26Å; H1215-V1219 WeakPolarHBondContact O-CG2 3.21Å; H1215-V1219 PolarHBondContact O-N 3.2Å; H1215-V1275 HydrophobicContact CB-CG1 4.35Å; H1215-V1275 VanDerWaalsContact CE1-CG2 3.42Å; H1215-V1275 WeakPolarHBondContact CE1-CG2 3.38Å
1216V88.9Confident85.7Confident2 Ų263.5 Ų63.51%0.01236%0.361CS..Hα-helixtrans-64.3-42.2179.3169.50000110.5F1212 T1213 S1218 V1219 F1220 V1241 M1245 V1275F1212-V1216 WeakPolarHBondContact O-CB 3.36Å; F1212-V1216 VanDerWaalsContact O-CG2 3.31Å; F1212-V1216 WeakPolarHBondContact O-CG2 3.15Å; F1212-V1216 PolarHBondContact O-N 2.76Å; T1213-V1216 PolarHBondContact O-N 3.28Å; V1216-S1218 VanDerWaalsContact C-N 3.28Å; V1216-S1218 PolarHBondContact O-N 3.04Å; V1216-V1219 PolarHBondContact O-N 3.03Å; V1216-F1220 HydrophobicContact CG1-CD2 4.08Å; V1216-F1220 HydrophobicContact CG1-CE2 3.45Å; V1216-F1220 VanDerWaalsContact CG1-CE2 3.45Å; V1216-F1220 HydrophobicContact CG1-CZ 4.33Å; V1216-F1220 VanDerWaalsContact O-CD2 3.29Å; V1216-F1220 WeakPolarHBondContact O-CD2 3.45Å; V1216-F1220 PolarHBondContact O-N 3.21Å; V1216-V1241 HydrophobicContact CB-CG1 4.03Å; V1216-V1241 HydrophobicContact CG1-CG1 3.64Å; V1216-M1245 HydrophobicContact CG2-SD 4.04Å; V1216-V1275 HydrophobicContact CG2-CG1 3.85Å
1217T86.9Confident84.4Confident32 Ų3261.1 Ų61.120%0.19636%0.359CS..Hα-helixtrans-60-38.7175.9-50.40000111.7T1213 V1214 H1215 V1219 F1220 L1238T1213-T1217 WeakPolarHBondContact O-CB 3.45Å; T1213-T1217 PolarHBondContact O-N 3.19Å; T1213-T1217 PolarHBondContact O-OG1 2.97Å; V1214-T1217 PolarHBondContact O-N 3.42Å; H1215-T1217 VanDerWaalsContact C-N 3.35Å; H1215-T1217 PolarHBondContact O-N 3.44Å; T1217-V1219 VanDerWaalsContact C-N 3.25Å; T1217-V1219 PolarHBondContact O-N 3.2Å; T1217-F1220 PolarHBondContact O-N 3.16Å; T1217-F1220 VanDerWaalsContact O-N 3.17Å; T1217-L1238 HydrophobicContact CG2-CD1 4.27Å; T1217-L1238 WeakPolarHBondContact OG1-CD1 3.16Å
1218S86.7Confident83Confident65 Ų6564 Ų6446%0.45538%0.375SS..Hα-helixtrans-64.5-28.9176.378.70000113.3V1214 H1215 V1216 F1220 Q1221V1214-S1218 PolarHBondContact O-N 2.78Å; H1215-S1218 PolarHBondContact O-N 3.49Å; H1215-S1218 PolarHBondContact O-OG 3.26Å; V1216-S1218 VanDerWaalsContact C-N 3.28Å; V1216-S1218 PolarHBondContact O-N 3.04Å; S1218-F1220 VanDerWaalsContact C-N 3.32Å; S1218-Q1221 WeakPolarHBondContact O-CB 3.46Å; S1218-Q1221 PolarHBondContact O-N 3.34Å
1219V86.2Confident81.7Confident17 Ų1763.9 Ų63.910%0.10340%0.398CS..Hα-helixtrans-75.5-24.1177.9-174.20000111.5H1215 V1216 T1217 Q1221 A1268 I1271 I1272H1215-V1219 WeakPolarHBondContact O-CG2 3.21Å; H1215-V1219 PolarHBondContact O-N 3.2Å; V1216-V1219 PolarHBondContact O-N 3.03Å; T1217-V1219 VanDerWaalsContact C-N 3.25Å; T1217-V1219 PolarHBondContact O-N 3.2Å; V1219-Q1221 PolarHBondContact O-N 3.13Å; V1219-A1268 HydrophobicContact CG1-CB 3.86Å; V1219-I1271 HydrophobicContact CG1-CB 4.48Å; V1219-I1271 HydrophobicContact CG1-CG2 4.41Å; V1219-I1271 HydrophobicContact CG2-CG2 3.76Å; V1219-I1272 HydrophobicContact CB-CD1 4.33Å; V1219-I1272 HydrophobicContact CB-CG1 4.04Å; V1219-I1272 HydrophobicContact CG1-CD1 3.76Å; V1219-I1272 HydrophobicContact CG1-CG1 3.62Å
1220F82.8Confident80.1Confident17 Ų1766.7 Ų66.78%0.07542%0.415CS..THydrogen-bonded Turntrans-78.9-1175-70.3-60.4000114.1V1216 T1217 S1218 P1236 L1258 P1259 V1261 I1272V1216-F1220 HydrophobicContact CG1-CD2 4.08Å; V1216-F1220 HydrophobicContact CG1-CE2 3.45Å; V1216-F1220 VanDerWaalsContact CG1-CE2 3.45Å; V1216-F1220 HydrophobicContact CG1-CZ 4.33Å; V1216-F1220 VanDerWaalsContact O-CD2 3.29Å; V1216-F1220 WeakPolarHBondContact O-CD2 3.45Å; V1216-F1220 PolarHBondContact O-N 3.21Å; T1217-F1220 PolarHBondContact O-N 3.16Å; T1217-F1220 VanDerWaalsContact O-N 3.17Å; S1218-F1220 VanDerWaalsContact C-N 3.32Å; F1220-P1236 HydrophobicContact CB-CG 3.92Å; F1220-P1236 HydrophobicContact CD2-CG 3.98Å; F1220-P1236 HydrophobicContact CG-CG 3.99Å; F1220-L1258 HydrophobicContact CE2-CD2 4.36Å; F1220-L1258 HydrophobicContact CZ-CB 4Å; F1220-L1258 HydrophobicContact CZ-CD2 4.28Å; F1220-P1259 HydrophobicContact CD1-CG 4.33Å; F1220-P1259 HydrophobicContact CD2-CG 4.44Å; F1220-P1259 HydrophobicContact CE1-CG 3.98Å; F1220-P1259 VanDerWaalsContact CE1-O 3.22Å; F1220-P1259 WeakPolarHBondContact CE1-O 3.19Å; F1220-P1259 HydrophobicContact CE2-CG 4.06Å; F1220-P1259 HydrophobicContact CZ-CG 3.87Å; F1220-V1261 HydrophobicContact CD1-CG1 3.81Å; F1220-V1261 HydrophobicContact CE1-CG1 3.9Å; F1220-I1272 HydrophobicContact CD1-CD1 4.35Å; F1220-I1272 HydrophobicContact CE1-CD1 3.69Å; F1220-I1272 HydrophobicContact CZ-CD1 3.81Å
1221Q81.4Confident78.4Confident134 Ų13467.4 Ų67.463%0.62643%0.433SS*.SBendtrans-67.7123.1-179.6-155.1165.15.400110.6S1218 V1219 A1223 M1235 T1264S1218-Q1221 WeakPolarHBondContact O-CB 3.46Å; S1218-Q1221 PolarHBondContact O-N 3.34Å; V1219-Q1221 PolarHBondContact O-N 3.13Å; Q1221-A1223 PolarHBondContact O-N 3.1Å; Q1221-M1235 HydrophobicContact CG-CE 4.41Å; Q1221-T1264 WeakPolarHBondContact O-CG2 3.46Å
1222P77.2Confident76.5Confident57 Ų5771 Ų7137%0.3745%0.451SS..  trans-66.3127.7-172.124.5-33.7000110.2M1235 L1263P1222-M1235 WeakPolarHBondContact CD-SD 3.5Å; P1222-M1235 HydrophobicContact CG-SD 3.92Å; P1222-L1263 HydrophobicContact CB-CB 3.78Å; P1222-L1263 HydrophobicContact CB-CD1 4.31Å
1223A78.9Confident74.8Confident69 Ų6973.3 Ų73.357%0.5746%0.464SS*.  trans-95-21.4174.300000112Q1221 L1263Q1221-A1223 PolarHBondContact O-N 3.1Å; A1223-L1263 PolarHBondContact N-O 3.2Å
1224Y80Confident73.3Confident128 Ų12876.3 Ų76.350%0.50250%0.496SS..SBendtrans-107.6148.4177.4-55.7-58.6000111.1L1263Y1224-L1263 WeakPolarHBondContact CD2-O 3.46Å; Y1224-L1263 PolarHBondContact N-O 3.45Å
1225A72Confident72.2Confident93 Ų9377.2 Ų77.277%0.76950%0.496SS*.PPolyproline II helixtrans-68.6144.5177.300000111.4
1226V68.7Low71.4Confident72 Ų7274.2 Ų74.244%0.43648%0.484SS..PPolyproline II helixtrans-68.8131.8176.6-174.80000109D1228 L1263V1226-D1228 PolarHBondContact O-N 3.21Å; V1226-L1263 HydrophobicContact CG2-CD1 4.29Å
1227P63.7Low71.1Confident84 Ų8480.2 Ų80.255%0.54551%0.512SS..PPolyproline II helixtrans-64131.9173.5-12.624.9000110.6G1229 V1230P1227-G1229 PolarHBondContact O-N 2.95Å; P1227-V1230 HydrophobicContact CB-CG2 4.5Å; P1227-V1230 PolarHBondContact O-N 3.28Å
1228D60Low71.1Confident174 Ų17483.1 Ų83.193%0.9353%0.526SS*.THydrogen-bonded Turntrans-53.3121.8174.4-65.7-36.5000110.2V1226V1226-D1228 PolarHBondContact O-N 3.21Å
1229G63.9Low71.1Confident83 Ų8383.9 Ų83.986%0.85653%0.528SS*.THydrogen-bonded Turntrans114.1-10.8177.900000115.6P1227P1227-G1229 PolarHBondContact O-N 2.95Å
1230V57.8Low71Confident74 Ų7486.4 Ų86.445%0.44854%0.541SS..  trans-94.4107.4173-166.80000108.6P1227 L1233P1227-V1230 HydrophobicContact CB-CG2 4.5Å; P1227-V1230 PolarHBondContact O-N 3.28Å; V1230-L1233 HydrophobicContact CG1-CD1 3.75Å
1231G53.6Low71.3Confident65 Ų6585.6 Ų85.667%0.6754%0.537SS*.  trans-51.5144.4174.800000111.1L1233G1231-L1233 PolarHBondContact O-N 2.89Å
1232S53.3Low71.6Confident119 Ų11980.5 Ų80.583%0.83252%0.518SS*.  trans-21.795.3-171.762.50000112.9G1234S1232-G1234 VanDerWaalsContact C-N 3.26Å; S1232-G1234 PolarHBondContact O-N 3.46Å
1233L56.4Low72.1Confident81 Ų8183.6 Ų83.642%0.42453%0.527SS..  trans-64101.2168.3-13895.3000104.7V1230 G1231 M1235 L1263V1230-L1233 HydrophobicContact CG1-CD1 3.75Å; G1231-L1233 PolarHBondContact O-N 2.89Å; L1233-M1235 PolarHBondContact O-N 3.34Å; L1233-L1263 HydrophobicContact CB-CD1 4.46Å; L1233-L1263 HydrophobicContact CD2-CD1 3.75Å
1234G59.1Low72.6Confident66 Ų6682.9 Ų82.968%0.6851%0.513SS*.  trans-58.5114.1-170.100000108.8S1232S1232-G1234 VanDerWaalsContact C-N 3.26Å; S1232-G1234 PolarHBondContact O-N 3.46Å
1235M67.9Low73Confident103 Ų10376.9 Ų76.951%0.50749%0.489SS..PPolyproline II helixtrans-53.3125.8162.1-72-71.3-74.100106.3Q1221 P1222 L1233 E1237Q1221-M1235 HydrophobicContact CG-CE 4.41Å; P1222-M1235 WeakPolarHBondContact CD-SD 3.5Å; P1222-M1235 HydrophobicContact CG-SD 3.92Å; L1233-M1235 PolarHBondContact O-N 3.34Å; M1235-E1237 PolarHBondContact O-N 2.87Å; M1235-E1237 VanDerWaalsContact O-N 3.11Å
1236P74.5Confident73.8Confident23 Ų2376.7 Ų76.715%0.14947%0.471CS..PPolyproline II helixtrans-60.8124.6178.925.8-32.3000107.4F1220 V1241 P1259F1220-P1236 HydrophobicContact CB-CG 3.92Å; F1220-P1236 HydrophobicContact CD2-CG 3.98Å; F1220-P1236 HydrophobicContact CG-CG 3.99Å; P1236-V1241 HydrophobicContact CB-CG2 3.77Å; P1236-V1241 HydrophobicContact CG-CG2 4.1Å; P1236-P1259 HydrophobicContact CB-CG 3.92Å; P1236-P1259 HydrophobicContact CG-CG 3.94Å
1237E81.1Confident74.8Confident129 Ų12977.2 Ų77.260%0.60347%0.468SS*.PPolyproline II helixtrans-64.2148.6176.7-68.7-167.4164.300108.3M1235 T1239 D1240 V1241M1235-E1237 PolarHBondContact O-N 2.87Å; M1235-E1237 VanDerWaalsContact O-N 3.11Å; E1237-T1239 WeakPolarHBondContact CB-OG1 3.23Å; E1237-T1239 PolarHBondContact O-N 2.85Å; E1237-D1240 WeakPolarHBondContact O-CB 3.17Å; E1237-D1240 PolarHBondContact O-N 3.17Å; E1237-V1241 PolarHBondContact O-N 3.35Å; E1237-V1241 VanDerWaalsContact O-N 3.12Å
1238L87.3Confident76Confident93 Ų9373.2 Ų73.249%0.48744%0.442SS..Hα-helixtrans-55.5-30.4-180-177.568.6000111.3T1213 V1214 T1217 A1242T1213-L1238 HydrophobicContact CG2-CD1 3.77Å; T1213-L1238 HydrophobicContact CG2-CG 4.46Å; V1214-L1238 HydrophobicContact CG2-CD1 4.13Å; T1217-L1238 HydrophobicContact CG2-CD1 4.27Å; T1217-L1238 WeakPolarHBondContact OG1-CD1 3.16Å; L1238-A1242 VanDerWaalsContact O-CB 3.25Å; L1238-A1242 WeakPolarHBondContact O-CB 3.45Å; L1238-A1242 PolarHBondContact O-N 3.39Å
1239T86.3Confident77.3Confident81 Ų8166.2 Ų66.250%0.49740%0.404SS..Hα-helixtrans-64.2-44.717443.50000112.3E1237 A1242 E1243E1237-T1239 WeakPolarHBondContact CB-OG1 3.23Å; E1237-T1239 PolarHBondContact O-N 2.85Å; T1239-A1242 WeakPolarHBondContact O-CB 3.48Å; T1239-A1242 PolarHBondContact O-N 3.27Å; T1239-E1243 WeakPolarHBondContact O-CG 3.32Å; T1239-E1243 PolarHBondContact O-N 3.27Å
1240D85.7Confident78.3Confident70 Ų7068.7 Ų68.737%0.37439%0.392SS..Hα-helixtrans-66.4-44179.8-58.7-18.4000110.5E1237 A1242 E1243 M1244E1237-D1240 WeakPolarHBondContact O-CB 3.17Å; E1237-D1240 PolarHBondContact O-N 3.17Å; D1240-A1242 VanDerWaalsContact C-N 3.3Å; D1240-A1242 PolarHBondContact O-N 2.98Å; D1240-E1243 PolarHBondContact O-N 2.86Å; D1240-M1244 WeakPolarHBondContact O-CG 3.46Å; D1240-M1244 PolarHBondContact O-N 3.05Å
1241V87.5Confident79.6Confident0 Ų068.2 Ų68.20%040%0.402CS..Hα-helixtrans-63.9-39.7174.6-172.80000109.9T1213 V1216 P1236 E1237 M1244 M1245T1213-V1241 HydrophobicContact CG2-CB 3.97Å; T1213-V1241 HydrophobicContact CG2-CG1 3.9Å; V1216-V1241 HydrophobicContact CB-CG1 4.03Å; V1216-V1241 HydrophobicContact CG1-CG1 3.64Å; P1236-V1241 HydrophobicContact CB-CG2 3.77Å; P1236-V1241 HydrophobicContact CG-CG2 4.1Å; E1237-V1241 PolarHBondContact O-N 3.35Å; E1237-V1241 VanDerWaalsContact O-N 3.12Å; V1241-M1244 PolarHBondContact O-N 3.33Å; V1241-M1245 HydrophobicContact CG1-CG 4.16Å; V1241-M1245 WeakPolarHBondContact O-CB 3.4Å; V1241-M1245 WeakPolarHBondContact O-CG 3.46Å; V1241-M1245 PolarHBondContact O-N 3.18Å
1242A88.8Confident81.2Confident27 Ų2771 Ų7122%0.22340%0.399CS..Hα-helixtrans-60.6-46.817600000111M1209 T1213 L1238 T1239 D1240 M1244 M1245 F1246M1209-A1242 HydrophobicContact CE-CB 4.05Å; M1209-A1242 WeakPolarHBondContact CE-O 3.45Å; T1213-A1242 VanDerWaalsContact CG2-CA 3.49Å; T1213-A1242 HydrophobicContact CG2-CB 3.79Å; T1213-A1242 VanDerWaalsContact CG2-N 3.34Å; L1238-A1242 VanDerWaalsContact O-CB 3.25Å; L1238-A1242 WeakPolarHBondContact O-CB 3.45Å; L1238-A1242 PolarHBondContact O-N 3.39Å; T1239-A1242 WeakPolarHBondContact O-CB 3.48Å; T1239-A1242 PolarHBondContact O-N 3.27Å; D1240-A1242 VanDerWaalsContact C-N 3.3Å; D1240-A1242 PolarHBondContact O-N 2.98Å; A1242-M1244 PolarHBondContact O-N 3.46Å; A1242-M1245 PolarHBondContact O-N 3.47Å; A1242-F1246 WeakPolarHBondContact O-CB 3.46Å; A1242-F1246 PolarHBondContact O-N 2.83Å
1243E88.4Confident82.7Confident121 Ų12166.4 Ų66.457%0.56537%0.366SS*.Hα-helixtrans-61.4-44.4177.2-73.6-173.4178.400111.7T1239 D1240 M1245 F1246 F1247T1239-E1243 WeakPolarHBondContact O-CG 3.32Å; T1239-E1243 PolarHBondContact O-N 3.27Å; D1240-E1243 PolarHBondContact O-N 2.86Å; E1243-M1245 PolarHBondContact O-N 3.31Å; E1243-F1246 WeakPolarHBondContact O-CB 3.38Å; E1243-F1246 PolarHBondContact O-N 3.27Å; E1243-F1247 WeakPolarHBondContact O-CD2 3.25Å; E1243-F1247 PolarHBondContact O-N 2.91Å
1244M87.8Confident84Confident55 Ų5564.9 Ų64.927%0.27136%0.362SS..Hα-helixtrans-62.1-42.4175.7-68-173.1-155.300112D1240 V1241 A1242 F1247 S1248 V1253 L1258D1240-M1244 WeakPolarHBondContact O-CG 3.46Å; D1240-M1244 PolarHBondContact O-N 3.05Å; V1241-M1244 PolarHBondContact O-N 3.33Å; A1242-M1244 PolarHBondContact O-N 3.46Å; M1244-F1247 PolarHBondContact O-N 2.98Å; M1244-S1248 PolarHBondContact O-N 2.85Å; M1244-V1253 HydrophobicContact CB-CG1 4.33Å; M1244-V1253 HydrophobicContact CB-CG2 4.4Å; M1244-V1253 WeakPolarHBondContact O-CG2 3.43Å; M1244-L1258 HydrophobicContact CB-CD2 4.44Å; M1244-L1258 HydrophobicContact SD-CD2 4.03Å
1245M89.4Confident85.2Confident1 Ų163.4 Ų63.41%0.00534%0.34CS..Hα-helixtrans-65.2-38.1175.7-69.7-54.3-57.500111.4M1209 F1212 V1216 V1241 A1242 E1243 S1248 Y1276 Y1279M1209-M1245 HydrophobicContact CG-CB 4.44Å; F1212-M1245 HydrophobicContact CB-CE 4.34Å; V1216-M1245 HydrophobicContact CG2-SD 4.04Å; V1241-M1245 HydrophobicContact CG1-CG 4.16Å; V1241-M1245 WeakPolarHBondContact O-CB 3.4Å; V1241-M1245 WeakPolarHBondContact O-CG 3.46Å; V1241-M1245 PolarHBondContact O-N 3.18Å; A1242-M1245 PolarHBondContact O-N 3.47Å; E1243-M1245 PolarHBondContact O-N 3.31Å; M1245-S1248 PolarHBondContact O-N 3.48Å; M1245-S1248 PolarHBondContact O-OG 3.12Å; M1245-Y1276 HydrophobicContact CE-CD2 4.33Å; M1245-Y1276 HydrophobicContact SD-CD2 4.25Å; M1245-Y1276 HydrophobicContact SD-CE2 4.4Å; M1245-Y1279 HydrophobicContact CE-CD1 3.32Å; M1245-Y1279 HydrophobicContact CE-CD2 3.44Å; M1245-Y1279 VanDerWaalsContact CE-CD2 3.44Å; M1245-Y1279 HydrophobicContact CE-CE1 3.59Å; M1245-Y1279 HydrophobicContact CE-CE2 3.65Å; M1245-Y1279 HydrophobicContact CE-CG 3.24Å; M1245-Y1279 PolarHBondContact O-OH 3.01Å
1246F89.2Confident85.8Confident90 Ų9067.3 Ų67.340%0.39536%0.357SS..Hα-helixtrans-62.7-43.9173.5180-107.1000112M1209 A1242 E1243 S1248 L1249 F1250M1209-F1246 HydrophobicContact CE-CB 3.66Å; M1209-F1246 HydrophobicContact SD-CB 3.97Å; M1209-F1246 HydrophobicContact SD-CD2 4.04Å; A1242-F1246 WeakPolarHBondContact O-CB 3.46Å; A1242-F1246 PolarHBondContact O-N 2.83Å; E1243-F1246 WeakPolarHBondContact O-CB 3.38Å; E1243-F1246 PolarHBondContact O-N 3.27Å; F1246-S1248 VanDerWaalsContact C-N 3.3Å; F1246-S1248 PolarHBondContact O-N 3.5Å; F1246-L1249 WeakPolarHBondContact O-CB 3.47Å; F1246-L1249 PolarHBondContact O-N 2.88Å; F1246-F1250 HydrophobicContact CD1-CE2 4.28Å; F1246-F1250 AromaticContact CE1-CE2 3.69Å; F1246-F1250 HydrophobicContact CE1-CE2 3.69Å; F1246-F1250 HydrophobicContact CE2-CE2 4.24Å; F1246-F1250 AromaticContact CZ-CE2 3.67Å; F1246-F1250 HydrophobicContact CZ-CE2 3.67Å; F1246-F1250 HydrophobicContact CZ-CZ 4.13Å
1247F89.3Confident86.1Confident82 Ų8270 Ų7036%0.3637%0.373SS..Hα-helixtrans-74.5-19.3179.7-71.1-56.7000114.1E1243 M1244 L1249 F1250 G1251 M1252 V1253E1243-F1247 WeakPolarHBondContact O-CD2 3.25Å; E1243-F1247 PolarHBondContact O-N 2.91Å; M1244-F1247 PolarHBondContact O-N 2.98Å; F1247-L1249 PolarHBondContact O-N 3.42Å; F1247-F1250 HydrophobicContact CD1-CD2 4.37Å; F1247-F1250 PolarHBondContact O-N 3.37Å; F1247-G1251 PolarHBondContact O-N 3.1Å; F1247-M1252 HydrophobicContact CB-CB 4.43Å; F1247-M1252 HydrophobicContact CB-CE 4.1Å; F1247-M1252 HydrophobicContact CD1-CE 3.1Å; F1247-M1252 HydrophobicContact CE1-CE 3.68Å; F1247-M1252 HydrophobicContact CG-CE 3.86Å; F1247-M1252 PolarHBondContact O-N 3.04Å; F1247-M1252 VanDerWaalsContact O-N 3.16Å; F1247-V1253 HydrophobicContact CB-CG2 3.77Å
1248S88.1Confident85.9Confident1 Ų164.5 Ų64.51%0.00735%0.348CS..Hα-helixtrans-64.9-25.9169.566.90000113.7M1244 M1245 F1246 F1250 G1251 Y1276 Y1279M1244-S1248 PolarHBondContact O-N 2.85Å; M1245-S1248 PolarHBondContact O-N 3.48Å; M1245-S1248 PolarHBondContact O-OG 3.12Å; F1246-S1248 VanDerWaalsContact C-N 3.3Å; F1246-S1248 PolarHBondContact O-N 3.5Å; S1248-F1250 PolarHBondContact O-N 3.25Å; S1248-G1251 PolarHBondContact O-N 2.76Å; S1248-Y1276 WeakPolarHBondContact CB-OH 3.3Å; S1248-Y1279 WeakPolarHBondContact OG-CE1 3.34Å
1249L87.4Confident85.2Confident26 Ų2661.5 Ų61.514%0.13633%0.334CS..THydrogen-bonded Turntrans-62.4-29.8175.1-122.6158.3000112M1205 F1246 F1247 I1288M1205-L1249 HydrophobicContact CE-CD1 4.15Å; M1205-L1249 HydrophobicContact CE-CD2 3.93Å; M1205-L1249 HydrophobicContact CG-CD1 3.99Å; M1205-L1249 HydrophobicContact SD-CD1 3.7Å; M1205-L1249 HydrophobicContact SD-CD2 4.5Å; F1246-L1249 WeakPolarHBondContact O-CB 3.47Å; F1246-L1249 PolarHBondContact O-N 2.88Å; F1247-L1249 PolarHBondContact O-N 3.42Å; L1249-I1288 HydrophobicContact CD2-CD1 3.37Å; L1249-I1288 HydrophobicContact CD2-CG1 4.2Å
1250F85.3Confident84.4Confident135 Ų13561.7 Ų61.759%0.59234%0.336SS*.THydrogen-bonded Turntrans-953.9175.7-56.4-70.4000113.3F1246 F1247 S1248 M1252F1246-F1250 HydrophobicContact CD1-CE2 4.28Å; F1246-F1250 AromaticContact CE1-CE2 3.69Å; F1246-F1250 HydrophobicContact CE1-CE2 3.69Å; F1246-F1250 HydrophobicContact CE2-CE2 4.24Å; F1246-F1250 AromaticContact CZ-CE2 3.67Å; F1246-F1250 HydrophobicContact CZ-CE2 3.67Å; F1246-F1250 HydrophobicContact CZ-CZ 4.13Å; F1247-F1250 HydrophobicContact CD1-CD2 4.37Å; F1247-F1250 PolarHBondContact O-N 3.37Å; S1248-F1250 PolarHBondContact O-N 3.25Å; F1250-M1252 VanDerWaalsContact C-N 3.31Å; F1250-M1252 HydrophobicContact CB-CE 4.46Å; F1250-M1252 HydrophobicContact CB-CG 4.36Å; F1250-M1252 PolarHBondContact O-N 2.87Å
1251G84.5Confident83.8Confident64 Ų6460.3 Ų60.366%0.6633%0.33SS*.THydrogen-bonded Turntrans72.816.7-178.700000115F1247 S1248F1247-G1251 PolarHBondContact O-N 3.1Å; S1248-G1251 PolarHBondContact O-N 2.76Å
1252M87.3Confident83Confident125 Ų12566.4 Ų66.462%0.61636%0.359SS*.  trans-86.5-21-179.1-65-163.6-64.800113.8F1247 F1250F1247-M1252 HydrophobicContact CB-CB 4.43Å; F1247-M1252 HydrophobicContact CB-CE 4.1Å; F1247-M1252 HydrophobicContact CD1-CE 3.1Å; F1247-M1252 HydrophobicContact CE1-CE 3.68Å; F1247-M1252 HydrophobicContact CG-CE 3.86Å; F1247-M1252 PolarHBondContact O-N 3.04Å; F1247-M1252 VanDerWaalsContact O-N 3.16Å; F1250-M1252 VanDerWaalsContact C-N 3.31Å; F1250-M1252 HydrophobicContact CB-CE 4.46Å; F1250-M1252 HydrophobicContact CB-CG 4.36Å; F1250-M1252 PolarHBondContact O-N 2.87Å
1253V86.5Confident82.4Confident21 Ų2166.6 Ų66.613%0.12736%0.356CS..  trans-104.2135176.2175.30000107.6M1244 F1247 T1257 Y1276M1244-V1253 HydrophobicContact CB-CG1 4.33Å; M1244-V1253 HydrophobicContact CB-CG2 4.4Å; M1244-V1253 WeakPolarHBondContact O-CG2 3.43Å; F1247-V1253 HydrophobicContact CB-CG2 3.77Å; V1253-T1257 VanDerWaalsContact CG1-OG1 3.32Å; V1253-T1257 WeakPolarHBondContact CG1-OG1 3.23Å; V1253-Y1276 PolarHBondContact O-OH 3.45Å
1254S83.7Confident81.8Confident50 Ų5061.6 Ų61.635%0.3533%0.333SS..  trans-109.9166.7168.175.40000109E1256 T1257S1254-E1256 PolarHBondContact O-N 3.43Å; S1254-E1256 PolarHBondContact OG-N 3.28Å; S1254-T1257 PolarHBondContact N-OG1 2.85Å; S1254-T1257 PolarHBondContact O-N 3.04Å; S1254-T1257 VanDerWaalsContact O-N 3.1Å; S1254-T1257 PolarHBondContact O-OG1 2.98Å
1255V83.6Confident81.5Confident35 Ų3561.2 Ų61.221%0.21234%0.335CS..THydrogen-bonded Turntrans-58.8-23.7175.5179.70000111.7I1272 K1273 Y1276V1255-I1272 HydrophobicContact CG1-CG2 3.72Å; V1255-K1273 HydrophobicContact CG1-CG 3.92Å; V1255-Y1276 HydrophobicContact CG2-CD1 3.26Å; V1255-Y1276 HydrophobicContact CG2-CE1 3.73Å; V1255-Y1276 HydrophobicContact CG2-CG 3.76Å
1256E79.6Confident81.1Confident185 Ų18566.4 Ų66.486%0.86437%0.369SS*.THydrogen-bonded Turntrans-81.2-22.1-178.5-59.9176.8179.800113.2S1254 L1258S1254-E1256 PolarHBondContact O-N 3.43Å; S1254-E1256 PolarHBondContact OG-N 3.28Å; E1256-L1258 VanDerWaalsContact C-N 3.33Å
1257T80.5Confident80.9Confident80 Ų8066.2 Ų66.249%0.49138%0.375SS..THydrogen-bonded Turntrans-83.1-10.9176.749.90000113.5V1253 S1254V1253-T1257 VanDerWaalsContact CG1-OG1 3.32Å; V1253-T1257 WeakPolarHBondContact CG1-OG1 3.23Å; S1254-T1257 PolarHBondContact N-OG1 2.85Å; S1254-T1257 PolarHBondContact O-N 3.04Å; S1254-T1257 VanDerWaalsContact O-N 3.1Å; S1254-T1257 PolarHBondContact O-OG1 2.98Å
1258L78Confident80.7Confident13 Ų1362.6 Ų62.67%0.06836%0.36CS..SBendtrans-66.1150.5174.3-76.5165000110.6F1220 M1244 E1256 I1272F1220-L1258 HydrophobicContact CE2-CD2 4.36Å; F1220-L1258 HydrophobicContact CZ-CB 4Å; F1220-L1258 HydrophobicContact CZ-CD2 4.28Å; M1244-L1258 HydrophobicContact CB-CD2 4.44Å; M1244-L1258 HydrophobicContact SD-CD2 4.03Å; E1256-L1258 VanDerWaalsContact C-N 3.33Å; L1258-I1272 HydrophobicContact CD1-CG2 3.94Å
1259P73.2Confident80.5Confident30 Ų3066.2 Ų66.220%0.19538%0.379CS..PPolyproline II helixtrans-53.8138.2-17717.9-29.4000110.9F1220 P1236 V1261F1220-P1259 HydrophobicContact CD1-CG 4.33Å; F1220-P1259 HydrophobicContact CD2-CG 4.44Å; F1220-P1259 HydrophobicContact CE1-CG 3.98Å; F1220-P1259 VanDerWaalsContact CE1-O 3.22Å; F1220-P1259 WeakPolarHBondContact CE1-O 3.19Å; F1220-P1259 HydrophobicContact CE2-CG 4.06Å; F1220-P1259 HydrophobicContact CZ-CG 3.87Å; P1236-P1259 HydrophobicContact CB-CG 3.92Å; P1236-P1259 HydrophobicContact CG-CG 3.94Å; P1259-V1261 PolarHBondContact O-N 3.09Å
1260P68.5Low80.5Confident85 Ų8570.2 Ų70.255%0.55240%0.399SS*.PPolyproline II helixtrans-72.2130.3-166.231-38.4000111.4H1262P1260-H1262 WeakPolarHBondContact CB-CE1 3.37Å; P1260-H1262 WeakPolarHBondContact CB-NE2 3.46Å; P1260-H1262 WeakPolarHBondContact CG-NE2 3.17Å; P1260-H1262 PolarHBondContact O-N 3.35Å
1261V72.3Confident80.7Confident41 Ų4167.2 Ų67.225%0.24839%0.389CS..  trans-83.676.6-175.9-109.80000110.6F1220 P1259 T1264 L1269 I1272F1220-V1261 HydrophobicContact CD1-CG1 3.81Å; F1220-V1261 HydrophobicContact CE1-CG1 3.9Å; P1259-V1261 PolarHBondContact O-N 3.09Å; V1261-T1264 VanDerWaalsContact CB-OG1 3.27Å; V1261-T1264 WeakPolarHBondContact CB-OG1 3.5Å; V1261-T1264 HydrophobicContact CG1-CG2 4.05Å; V1261-T1264 WeakPolarHBondContact CG1-OG1 3.32Å; V1261-L1269 HydrophobicContact CG2-CD1 3.82Å; V1261-I1272 HydrophobicContact CG1-CD1 4.12Å; V1261-I1272 HydrophobicContact CG2-CD1 4.43Å
1262H71.8Confident80.9Confident128 Ų12864.4 Ų64.459%0.59336%0.358SS*.SBendtrans-89.4-29.7178.2-47.4-53.9000113.5P1260P1260-H1262 WeakPolarHBondContact CB-CE1 3.37Å; P1260-H1262 WeakPolarHBondContact CB-NE2 3.46Å; P1260-H1262 WeakPolarHBondContact CG-NE2 3.17Å; P1260-H1262 PolarHBondContact O-N 3.35Å
1263L75.5Confident81Confident31 Ų3164 Ų6416%0.16235%0.353CS..SBendtrans-101.211.1-171.4-69.1158.6000113.3P1222 A1223 Y1224 V1226 L1233P1222-L1263 HydrophobicContact CB-CB 3.78Å; P1222-L1263 HydrophobicContact CB-CD1 4.31Å; A1223-L1263 PolarHBondContact N-O 3.2Å; Y1224-L1263 WeakPolarHBondContact CD2-O 3.46Å; Y1224-L1263 PolarHBondContact N-O 3.45Å; V1226-L1263 HydrophobicContact CG2-CD1 4.29Å; L1233-L1263 HydrophobicContact CB-CD1 4.46Å; L1233-L1263 HydrophobicContact CD2-CD1 3.75Å
1264T76.8Confident81.2Confident15 Ų1569.3 Ų69.39%0.09238%0.378CS..SBendtrans-122.1151.7-17755.20000111Q1221 V1261Q1221-T1264 WeakPolarHBondContact O-CG2 3.46Å; V1261-T1264 VanDerWaalsContact CB-OG1 3.27Å; V1261-T1264 WeakPolarHBondContact CB-OG1 3.5Å; V1261-T1264 HydrophobicContact CG1-CG2 4.05Å; V1261-T1264 WeakPolarHBondContact CG1-OG1 3.32Å
1265P81Confident81.5Confident47 Ų4767.5 Ų67.531%0.30537%0.365SS..  trans-58.6150.1176.123.9-33.7000111.2V1267 A1268P1265-V1267 PolarHBondContact O-N 2.84Å; P1265-A1268 WeakPolarHBondContact O-CB 3.4Å; P1265-A1268 PolarHBondContact O-N 3.2Å
1266P80.5Confident81.9Confident111 Ų11166.5 Ų66.572%0.72136%0.358SS*.THydrogen-bonded Turntrans-59.3-20.3-177.721.8-32.6000113.7A1268 L1269P1266-A1268 PolarHBondContact O-N 2.98Å; P1266-L1269 PolarHBondContact O-N 3.21Å
1267V85.2Confident82.4Confident86 Ų8659.9 Ų59.952%0.52133%0.334SS..Hα-helixtrans-62.2-28.7172.2-176.90000112.1P1265 L1269 I1270 I1271P1265-V1267 PolarHBondContact O-N 2.84Å; V1267-L1269 PolarHBondContact O-N 3.45Å; V1267-I1270 WeakPolarHBondContact O-CB 3.34Å; V1267-I1270 PolarHBondContact O-N 3.49Å; V1267-I1271 HydrophobicContact CG1-CD1 4.21Å; V1267-I1271 HydrophobicContact CG1-CG1 4.4Å; V1267-I1271 PolarHBondContact O-N 3.12Å
1268A85.1Confident82.9Confident6 Ų658.2 Ų58.25%0.0533%0.326CS..Hα-helixtrans-59.3-35.4178.100000112.2V1219 P1265 P1266 I1270 I1271 I1272V1219-A1268 HydrophobicContact CG1-CB 3.86Å; P1265-A1268 WeakPolarHBondContact O-CB 3.4Å; P1265-A1268 PolarHBondContact O-N 3.2Å; P1266-A1268 PolarHBondContact O-N 2.98Å; A1268-I1270 VanDerWaalsContact C-N 3.3Å; A1268-I1270 PolarHBondContact O-N 3.32Å; A1268-I1271 PolarHBondContact O-N 3.35Å; A1268-I1272 WeakPolarHBondContact O-CB 3.3Å; A1268-I1272 PolarHBondContact O-N 2.8Å
1269L84.9Confident83.6Confident77 Ų7757.6 Ų57.640%0.40332%0.323SS..Hα-helixtrans-64.3-36.1176.2-162.883.8000111.8V1261 P1266 V1267 K1273V1261-L1269 HydrophobicContact CG2-CD1 3.82Å; P1266-L1269 PolarHBondContact O-N 3.21Å; V1267-L1269 PolarHBondContact O-N 3.45Å; L1269-K1273 WeakPolarHBondContact O-CB 3.34Å; L1269-K1273 WeakPolarHBondContact O-CG 3.46Å; L1269-K1273 PolarHBondContact O-N 3.27Å
1270I86.9Confident84.4Confident109 Ų10958.7 Ų58.756%0.55933%0.327SS*.Hα-helixtrans-69.3-43.8176.3-58.2172.9000109.6V1267 A1268 K1273 M1274V1267-I1270 WeakPolarHBondContact O-CB 3.34Å; V1267-I1270 PolarHBondContact O-N 3.49Å; A1268-I1270 VanDerWaalsContact C-N 3.3Å; A1268-I1270 PolarHBondContact O-N 3.32Å; I1270-K1273 PolarHBondContact O-N 3.36Å; I1270-M1274 HydrophobicContact CG2-CG 4.46Å; I1270-M1274 VanDerWaalsContact O-CG 3.31Å; I1270-M1274 WeakPolarHBondContact O-CG 3.41Å; I1270-M1274 PolarHBondContact O-N 3.45Å
1271I88.6Confident85.5Confident73 Ų7359 Ų5937%0.37432%0.323SS..Hα-helixtrans-61.6-47.1177.2-63171.7000110.2V1219 V1267 A1268 K1273 M1274 V1275V1219-I1271 HydrophobicContact CG1-CB 4.48Å; V1219-I1271 HydrophobicContact CG1-CG2 4.41Å; V1219-I1271 HydrophobicContact CG2-CG2 3.76Å; V1267-I1271 HydrophobicContact CG1-CD1 4.21Å; V1267-I1271 HydrophobicContact CG1-CG1 4.4Å; V1267-I1271 PolarHBondContact O-N 3.12Å; A1268-I1271 PolarHBondContact O-N 3.35Å; I1271-K1273 VanDerWaalsContact C-N 3.35Å; I1271-K1273 PolarHBondContact O-N 3.06Å; I1271-M1274 PolarHBondContact O-N 2.83Å; I1271-V1275 HydrophobicContact CG2-CG2 3.96Å; I1271-V1275 WeakPolarHBondContact O-CB 3.29Å; I1271-V1275 VanDerWaalsContact O-CG2 3.23Å; I1271-V1275 WeakPolarHBondContact O-CG2 3.2Å; I1271-V1275 PolarHBondContact O-N 3.23Å
1272I89.1Confident86.5Confident4 Ų458.8 Ų58.82%0.02132%0.321CS..Hα-helixtrans-57.1-47.4175.5-82.3161.5000110.7V1219 F1220 V1255 L1258 V1261 A1268 M1274 V1275 Y1276V1219-I1272 HydrophobicContact CB-CD1 4.33Å; V1219-I1272 HydrophobicContact CB-CG1 4.04Å; V1219-I1272 HydrophobicContact CG1-CD1 3.76Å; V1219-I1272 HydrophobicContact CG1-CG1 3.62Å; F1220-I1272 HydrophobicContact CD1-CD1 4.35Å; F1220-I1272 HydrophobicContact CE1-CD1 3.69Å; F1220-I1272 HydrophobicContact CZ-CD1 3.81Å; V1255-I1272 HydrophobicContact CG1-CG2 3.72Å; L1258-I1272 HydrophobicContact CD1-CG2 3.94Å; V1261-I1272 HydrophobicContact CG1-CD1 4.12Å; V1261-I1272 HydrophobicContact CG2-CD1 4.43Å; A1268-I1272 WeakPolarHBondContact O-CB 3.3Å; A1268-I1272 PolarHBondContact O-N 2.8Å; I1272-M1274 VanDerWaalsContact C-N 3.32Å; I1272-M1274 PolarHBondContact O-N 3.1Å; I1272-V1275 PolarHBondContact O-N 2.66Å; I1272-Y1276 WeakPolarHBondContact O-CB 3.31Å; I1272-Y1276 PolarHBondContact O-N 3.46Å
1273K89.4Confident87.4Confident117 Ų11752.7 Ų52.751%0.50929%0.293SS..Hα-helixtrans-59.2-41.9177.4-77.4179.1178.9-1750112.2V1255 L1269 I1270 I1271 A1277V1255-K1273 HydrophobicContact CG1-CG 3.92Å; L1269-K1273 WeakPolarHBondContact O-CB 3.34Å; L1269-K1273 WeakPolarHBondContact O-CG 3.46Å; L1269-K1273 PolarHBondContact O-N 3.27Å; I1270-K1273 PolarHBondContact O-N 3.36Å; I1271-K1273 VanDerWaalsContact C-N 3.35Å; I1271-K1273 PolarHBondContact O-N 3.06Å; K1273-A1277 WeakPolarHBondContact O-CB 3.38Å; K1273-A1277 PolarHBondContact O-N 2.87Å
1274M91Very high88Confident132 Ų13253.9 Ų53.965%0.6530%0.302SS*.Hα-helixtrans-70-44.2179.1-70.5-67.3-70.600112.5I1270 I1271 I1272 A1277 S1278I1270-M1274 HydrophobicContact CG2-CG 4.46Å; I1270-M1274 VanDerWaalsContact O-CG 3.31Å; I1270-M1274 WeakPolarHBondContact O-CG 3.41Å; I1270-M1274 PolarHBondContact O-N 3.45Å; I1271-M1274 PolarHBondContact O-N 2.83Å; I1272-M1274 VanDerWaalsContact C-N 3.32Å; I1272-M1274 PolarHBondContact O-N 3.1Å; M1274-A1277 PolarHBondContact O-N 2.7Å; M1274-S1278 WeakPolarHBondContact O-CB 3.16Å; M1274-S1278 PolarHBondContact O-N 3.18Å; M1274-S1278 PolarHBondContact O-OG 3.01Å; M1274-S1278 VanDerWaalsContact O-OG 3.07Å
1275V90.8Very high88.6Confident13 Ų1358 Ų588%0.07932%0.322CS..Hα-helixtrans-67.1-42.4178.6175.20000109.9F1212 H1215 V1216 I1271 I1272 S1278 Y1279F1212-V1275 HydrophobicContact CD1-CG1 4.01Å; H1215-V1275 HydrophobicContact CB-CG1 4.35Å; H1215-V1275 VanDerWaalsContact CE1-CG2 3.42Å; H1215-V1275 WeakPolarHBondContact CE1-CG2 3.38Å; V1216-V1275 HydrophobicContact CG2-CG1 3.85Å; I1271-V1275 HydrophobicContact CG2-CG2 3.96Å; I1271-V1275 WeakPolarHBondContact O-CB 3.29Å; I1271-V1275 VanDerWaalsContact O-CG2 3.23Å; I1271-V1275 WeakPolarHBondContact O-CG2 3.2Å; I1271-V1275 PolarHBondContact O-N 3.23Å; I1272-V1275 PolarHBondContact O-N 2.66Å; V1275-S1278 WeakPolarHBondContact CA-OG 3.36Å; V1275-S1278 PolarHBondContact O-N 3.24Å; V1275-S1278 PolarHBondContact O-OG 3.34Å; V1275-Y1279 WeakPolarHBondContact O-CB 3.32Å; V1275-Y1279 PolarHBondContact O-N 2.98Å
1276Y90.5Very high89.1Confident14 Ų1459.4 Ų59.46%0.05533%0.33CS..Hα-helixtrans-67-41.5176.5-170.1-100.9000112.4M1245 S1248 V1253 V1255 I1272 Y1279 L1280M1245-Y1276 HydrophobicContact CE-CD2 4.33Å; M1245-Y1276 HydrophobicContact SD-CD2 4.25Å; M1245-Y1276 HydrophobicContact SD-CE2 4.4Å; S1248-Y1276 WeakPolarHBondContact CB-OH 3.3Å; V1253-Y1276 PolarHBondContact O-OH 3.45Å; V1255-Y1276 HydrophobicContact CG2-CD1 3.26Å; V1255-Y1276 HydrophobicContact CG2-CE1 3.73Å; V1255-Y1276 HydrophobicContact CG2-CG 3.76Å; I1272-Y1276 WeakPolarHBondContact O-CB 3.31Å; I1272-Y1276 PolarHBondContact O-N 3.46Å; Y1276-Y1279 WeakPolarHBondContact O-CB 3.1Å; Y1276-Y1279 PolarHBondContact O-N 3.39Å; Y1276-L1280 HydrophobicContact CD1-CD1 3.87Å; Y1276-L1280 HydrophobicContact CD1-CG 4.33Å; Y1276-L1280 HydrophobicContact CE1-CD1 3.48Å; Y1276-L1280 VanDerWaalsContact CE1-CD1 3.48Å; Y1276-L1280 HydrophobicContact CE1-CG 4.07Å; Y1276-L1280 WeakPolarHBondContact O-CG 3.27Å; Y1276-L1280 PolarHBondContact O-N 2.89Å
1277A89.9Confident89.7Confident45 Ų4554.7 Ų54.737%0.37230%0.299SS..Hα-helixtrans-63-42.717400000111.8K1273 M1274 L1280 I1281K1273-A1277 WeakPolarHBondContact O-CB 3.38Å; K1273-A1277 PolarHBondContact O-N 2.87Å; M1274-A1277 PolarHBondContact O-N 2.7Å; A1277-L1280 PolarHBondContact O-N 3.26Å; A1277-I1281 VanDerWaalsContact O-CG1 3.27Å; A1277-I1281 WeakPolarHBondContact O-CG1 3.33Å; A1277-I1281 PolarHBondContact O-N 2.9Å
1278S91.6Very high90Very high45 Ų4553 Ų5332%0.31529%0.286SS..Hα-helixtrans-66.7-38.117660.90000112.1M1274 V1275 I1281 V1282M1274-S1278 WeakPolarHBondContact O-CB 3.16Å; M1274-S1278 PolarHBondContact O-N 3.18Å; M1274-S1278 PolarHBondContact O-OG 3.01Å; M1274-S1278 VanDerWaalsContact O-OG 3.07Å; V1275-S1278 WeakPolarHBondContact CA-OG 3.36Å; V1275-S1278 PolarHBondContact O-N 3.24Å; V1275-S1278 PolarHBondContact O-OG 3.34Å; S1278-I1281 PolarHBondContact O-N 3.49Å; S1278-V1282 WeakPolarHBondContact O-CB 3.26Å; S1278-V1282 VanDerWaalsContact O-CG2 3.3Å; S1278-V1282 WeakPolarHBondContact O-CG2 3.37Å; S1278-V1282 PolarHBondContact O-N 2.9Å
1279Y93Very high90.3Very high0 Ų057 Ų570%031%0.307CS..Hα-helixtrans-56.6-49.4170.4170.5-96.2000111.7M1209 F1212 M1245 S1248 V1275 Y1276 V1282 T1283M1209-Y1279 HydrophobicContact CG-CE2 4.49Å; F1212-Y1279 HydrophobicContact CB-CD2 3.61Å; F1212-Y1279 HydrophobicContact CB-CE2 4.34Å; F1212-Y1279 HydrophobicContact CB-CG 4.37Å; F1212-Y1279 HydrophobicContact CD1-CD2 4.46Å; F1212-Y1279 AromaticContact CD2-CD2 3.54Å; F1212-Y1279 HydrophobicContact CD2-CD2 3.54Å; F1212-Y1279 HydrophobicContact CD2-CE2 4.41Å; F1212-Y1279 HydrophobicContact CD2-CG 4.4Å; F1212-Y1279 HydrophobicContact CE2-CD2 4.29Å; F1212-Y1279 AromaticContact CG-CD2 3.64Å; F1212-Y1279 HydrophobicContact CG-CD2 3.64Å; F1212-Y1279 HydrophobicContact CG-CG 4.29Å; M1245-Y1279 HydrophobicContact CE-CD1 3.32Å; M1245-Y1279 HydrophobicContact CE-CD2 3.44Å; M1245-Y1279 VanDerWaalsContact CE-CD2 3.44Å; M1245-Y1279 HydrophobicContact CE-CE1 3.59Å; M1245-Y1279 HydrophobicContact CE-CE2 3.65Å; M1245-Y1279 HydrophobicContact CE-CG 3.24Å; M1245-Y1279 PolarHBondContact O-OH 3.01Å; S1248-Y1279 WeakPolarHBondContact OG-CE1 3.34Å; V1275-Y1279 WeakPolarHBondContact O-CB 3.32Å; V1275-Y1279 PolarHBondContact O-N 2.98Å; Y1276-Y1279 WeakPolarHBondContact O-CB 3.1Å; Y1276-Y1279 PolarHBondContact O-N 3.39Å; Y1279-V1282 PolarHBondContact O-N 3.32Å; Y1279-T1283 HydrophobicContact CD2-CG2 3.72Å; Y1279-T1283 HydrophobicContact CE1-CG2 4.31Å; Y1279-T1283 HydrophobicContact CE2-CG2 3.37Å; Y1279-T1283 HydrophobicContact CG-CG2 4.38Å; Y1279-T1283 WeakPolarHBondContact O-CB 3.19Å; Y1279-T1283 WeakPolarHBondContact O-CG2 3.21Å; Y1279-T1283 PolarHBondContact O-N 3.32Å; Y1279-T1283 PolarHBondContact O-OG1 3.23Å
1280L91Very high90.6Very high54 Ų5457.1 Ų57.128%0.28331%0.307SS..Hα-helixtrans-65.4-39.7179.5-72.3177.9000112.4Y1276 A1277 V1284 I1285Y1276-L1280 HydrophobicContact CD1-CD1 3.87Å; Y1276-L1280 HydrophobicContact CD1-CG 4.33Å; Y1276-L1280 HydrophobicContact CE1-CD1 3.48Å; Y1276-L1280 VanDerWaalsContact CE1-CD1 3.48Å; Y1276-L1280 HydrophobicContact CE1-CG 4.07Å; Y1276-L1280 WeakPolarHBondContact O-CG 3.27Å; Y1276-L1280 PolarHBondContact O-N 2.89Å; A1277-L1280 PolarHBondContact O-N 3.26Å; L1280-V1284 HydrophobicContact CD2-CG2 4.08Å; L1280-V1284 WeakPolarHBondContact O-CA 3.27Å; L1280-V1284 VanDerWaalsContact O-CB 3.27Å; L1280-V1284 WeakPolarHBondContact O-CB 3.42Å; L1280-V1284 PolarHBondContact O-N 3.16Å; L1280-I1285 PolarHBondContact O-N 3.21Å
1281I91.6Very high91Very high90 Ų9052.8 Ų52.846%0.46229%0.285SS..Iπ-helixtrans-61.2-50175.1-69.1164.6000110A1277 S1278 I1285 V1286A1277-I1281 VanDerWaalsContact O-CG1 3.27Å; A1277-I1281 WeakPolarHBondContact O-CG1 3.33Å; A1277-I1281 PolarHBondContact O-N 2.9Å; S1278-I1281 PolarHBondContact O-N 3.49Å; I1281-I1285 HydrophobicContact CB-CD1 4.46Å; I1281-I1285 HydrophobicContact CG1-CD1 4.11Å; I1281-I1285 WeakPolarHBondContact O-CA 3.35Å; I1281-I1285 VanDerWaalsContact O-CB 3.27Å; I1281-I1285 WeakPolarHBondContact O-CB 3.31Å; I1281-I1285 PolarHBondContact O-N 2.92Å; I1281-I1285 VanDerWaalsContact O-N 3.15Å; I1281-V1286 PolarHBondContact O-N 3.03Å
1282V92.2Very high91.2Very high37 Ų3753.7 Ų53.722%0.22429%0.289CS..Iπ-helixtrans-66.1-48.8-178173.10000110.7F1208 F1212 S1278 Y1279 V1286 L1287F1208-V1282 HydrophobicContact CD1-CG1 3.82Å; F1208-V1282 HydrophobicContact CE1-CG1 3.97Å; F1208-V1282 HydrophobicContact CG-CG1 4.11Å; F1208-V1282 HydrophobicContact CZ-CG1 4.38Å; F1212-V1282 HydrophobicContact CE2-CB 4.28Å; F1212-V1282 HydrophobicContact CE2-CG1 4.34Å; F1212-V1282 HydrophobicContact CZ-CB 4.5Å; F1212-V1282 HydrophobicContact CZ-CG2 4.31Å; S1278-V1282 WeakPolarHBondContact O-CB 3.26Å; S1278-V1282 VanDerWaalsContact O-CG2 3.3Å; S1278-V1282 WeakPolarHBondContact O-CG2 3.37Å; S1278-V1282 PolarHBondContact O-N 2.9Å; Y1279-V1282 PolarHBondContact O-N 3.32Å; V1282-V1286 WeakPolarHBondContact O-CB 3.35Å; V1282-V1286 PolarHBondContact O-N 3.14Å; V1282-L1287 HydrophobicContact CG1-CD1 4.17Å; V1282-L1287 HydrophobicContact CG1-CG 4.32Å; V1282-L1287 WeakPolarHBondContact O-CB 3.45Å; V1282-L1287 VanDerWaalsContact O-CG 3.28Å; V1282-L1287 WeakPolarHBondContact O-CG 3.47Å; V1282-L1287 PolarHBondContact O-N 3.28Å
1283T90.8Very high91.3Very high0 Ų056.3 Ų56.30%031%0.312CS..Iπ-helixtrans-76.1-52.3-174.357.10000112.9M1205 Y1279 L1287 I1288M1205-T1283 HydrophobicContact CE-CG2 4.43Å; M1205-T1283 HydrophobicContact SD-CG2 3.58Å; M1205-T1283 VanDerWaalsContact SD-CG2 3.58Å; Y1279-T1283 HydrophobicContact CD2-CG2 3.72Å; Y1279-T1283 HydrophobicContact CE1-CG2 4.31Å; Y1279-T1283 HydrophobicContact CE2-CG2 3.37Å; Y1279-T1283 HydrophobicContact CG-CG2 4.38Å; Y1279-T1283 WeakPolarHBondContact O-CB 3.19Å; Y1279-T1283 WeakPolarHBondContact O-CG2 3.21Å; Y1279-T1283 PolarHBondContact O-N 3.32Å; Y1279-T1283 PolarHBondContact O-OG1 3.23Å; T1283-L1287 HydrophobicContact CG2-CD1 4.43Å; T1283-L1287 WeakPolarHBondContact O-CB 3.45Å; T1283-L1287 PolarHBondContact O-N 3.44Å; T1283-I1288 WeakPolarHBondContact O-CG1 3.44Å; T1283-I1288 PolarHBondContact O-N 3.41Å
1284V88.7Confident91.5Very high57 Ų5752.9 Ų52.935%0.34530%0.298SS..Iπ-helixtrans-82.3-47.3-173.7-176.50000111.9L1280 I1288L1280-V1284 HydrophobicContact CD2-CG2 4.08Å; L1280-V1284 WeakPolarHBondContact O-CA 3.27Å; L1280-V1284 VanDerWaalsContact O-CB 3.27Å; L1280-V1284 WeakPolarHBondContact O-CB 3.42Å; L1280-V1284 PolarHBondContact O-N 3.16Å; V1284-I1288 HydrophobicContact CG2-CD1 4.5Å
1285I88.9Confident91.6Very high100 Ų10049.3 Ų49.351%0.51328%0.281SS..Iπ-helixtrans-80.8-42.4-175.2-54.4178.2000111.2L1280 I1281 N1289L1280-I1285 PolarHBondContact O-N 3.21Å; I1281-I1285 HydrophobicContact CB-CD1 4.46Å; I1281-I1285 HydrophobicContact CG1-CD1 4.11Å; I1281-I1285 WeakPolarHBondContact O-CA 3.35Å; I1281-I1285 VanDerWaalsContact O-CB 3.27Å; I1281-I1285 WeakPolarHBondContact O-CB 3.31Å; I1281-I1285 PolarHBondContact O-N 2.92Å; I1281-I1285 VanDerWaalsContact O-N 3.15Å; I1285-N1289 WeakPolarHBondContact O-CB 3.41Å; I1285-N1289 PolarHBondContact O-ND2 3.35Å
1286V92Very high91.7Very high77 Ų7751.4 Ų51.447%0.46730%0.296SS..Iπ-helixtrans-90.7-62.2-175.3-178.40000111.4I1281 V1282 N1289 L1290I1281-V1286 PolarHBondContact O-N 3.03Å; V1282-V1286 WeakPolarHBondContact O-CB 3.35Å; V1282-V1286 PolarHBondContact O-N 3.14Å; V1286-N1289 PolarHBondContact O-N 3.01Å; V1286-L1290 VanDerWaalsContact O-CB 3.31Å; V1286-L1290 WeakPolarHBondContact O-CB 3.35Å; V1286-L1290 PolarHBondContact O-N 3.47Å
1287L92.5Very high91.8Very high13 Ų1354.9 Ų54.97%0.06832%0.316CS..Iπ-helixtrans-68-47-169.4-66.8177.2000112.2F1201 I1204 M1205 F1208 V1282 T1283 N1289 L1290 L1291F1201-L1287 HydrophobicContact CE2-CB 3.91Å; F1201-L1287 VanDerWaalsContact CE2-O 3.27Å; F1201-L1287 WeakPolarHBondContact CE2-O 3.27Å; I1204-L1287 HydrophobicContact CG2-CD2 3.85Å; M1205-L1287 HydrophobicContact CE-CB 3.77Å; M1205-L1287 HydrophobicContact CE-CD1 4.06Å; M1205-L1287 HydrophobicContact SD-CD1 3.85Å; F1208-L1287 HydrophobicContact CB-CD1 4.24Å; F1208-L1287 HydrophobicContact CD2-CD1 3.54Å; F1208-L1287 HydrophobicContact CD2-CD2 4.37Å; F1208-L1287 HydrophobicContact CE2-CD1 4.16Å; F1208-L1287 HydrophobicContact CE2-CD2 4.2Å; F1208-L1287 HydrophobicContact CG-CD1 4.07Å; V1282-L1287 HydrophobicContact CG1-CD1 4.17Å; V1282-L1287 HydrophobicContact CG1-CG 4.32Å; V1282-L1287 WeakPolarHBondContact O-CB 3.45Å; V1282-L1287 VanDerWaalsContact O-CG 3.28Å; V1282-L1287 WeakPolarHBondContact O-CG 3.47Å; V1282-L1287 PolarHBondContact O-N 3.28Å; T1283-L1287 HydrophobicContact CG2-CD1 4.43Å; T1283-L1287 WeakPolarHBondContact O-CB 3.45Å; T1283-L1287 PolarHBondContact O-N 3.44Å; L1287-N1289 PolarHBondContact O-N 3.1Å; L1287-L1290 WeakPolarHBondContact O-CB 3.33Å; L1287-L1290 PolarHBondContact O-N 3.37Å; L1287-L1291 PolarHBondContact O-N 2.84Å
1288I91.7Very high92Very high49 Ų4953.2 Ų53.225%0.25130%0.301SS..Iπ-helixtrans-62.5-42.6178.9-73169000111.4F1201 M1205 L1249 T1283 V1284 L1290 L1291 I1292F1201-I1288 HydrophobicContact CZ-CG1 4.24Å; M1205-I1288 HydrophobicContact CE-CG1 4.24Å; L1249-I1288 HydrophobicContact CD2-CD1 3.37Å; L1249-I1288 HydrophobicContact CD2-CG1 4.2Å; T1283-I1288 WeakPolarHBondContact O-CG1 3.44Å; T1283-I1288 PolarHBondContact O-N 3.41Å; V1284-I1288 HydrophobicContact CG2-CD1 4.5Å; I1288-L1290 VanDerWaalsContact C-N 3.3Å; I1288-L1290 PolarHBondContact O-N 3.43Å; I1288-L1291 WeakPolarHBondContact O-CB 3.49Å; I1288-L1291 PolarHBondContact O-N 3.28Å; I1288-I1292 HydrophobicContact CG2-CD1 4.05Å; I1288-I1292 WeakPolarHBondContact O-CG1 3.47Å; I1288-I1292 PolarHBondContact O-N 3.49Å
1289N90.9Very high92Very high92 Ų9255.7 Ų55.749%0.49230%0.304SS..Hα-helixtrans-65.3-34.2176-75.2-30.8000112.3I1285 V1286 L1287 I1292 A1293I1285-N1289 WeakPolarHBondContact O-CB 3.41Å; I1285-N1289 PolarHBondContact O-ND2 3.35Å; V1286-N1289 PolarHBondContact O-N 3.01Å; L1287-N1289 PolarHBondContact O-N 3.1Å; N1289-I1292 PolarHBondContact O-N 3.37Å; N1289-A1293 WeakPolarHBondContact O-CB 3.14Å; N1289-A1293 PolarHBondContact O-N 3.35Å
1290L92.2Very high91.9Very high78 Ų7861.8 Ų61.841%0.40833%0.333SS..Hα-helixtrans-66.2-38.2172.7-173.6146.9000111.7V1286 L1287 I1288 A1293 M1294V1286-L1290 VanDerWaalsContact O-CB 3.31Å; V1286-L1290 WeakPolarHBondContact O-CB 3.35Å; V1286-L1290 PolarHBondContact O-N 3.47Å; L1287-L1290 WeakPolarHBondContact O-CB 3.33Å; L1287-L1290 PolarHBondContact O-N 3.37Å; I1288-L1290 VanDerWaalsContact C-N 3.3Å; I1288-L1290 PolarHBondContact O-N 3.43Å; L1290-A1293 PolarHBondContact O-N 3.18Å; L1290-M1294 HydrophobicContact CD2-CE 3.58Å; L1290-M1294 HydrophobicContact CD2-CG 4.15Å; L1290-M1294 HydrophobicContact CD2-SD 3.78Å; L1290-M1294 WeakPolarHBondContact O-CG 3.31Å; L1290-M1294 PolarHBondContact O-N 2.94Å
1291L94.1Very high91.8Very high18 Ų1866.8 Ų66.89%0.09435%0.348CS..Hα-helixtrans-60.9-47.9171.7174.566.3000111.3L1198 F1201 L1287 I1288 A1293 M1294 M1295L1198-L1291 HydrophobicContact CD1-CD1 4.4Å; L1198-L1291 HydrophobicContact CD1-CD2 4.13Å; F1201-L1291 HydrophobicContact CB-CD1 3.66Å; F1201-L1291 HydrophobicContact CD1-CB 4.4Å; F1201-L1291 HydrophobicContact CD1-CD1 4.05Å; F1201-L1291 HydrophobicContact CD1-CD2 3.7Å; F1201-L1291 HydrophobicContact CD1-CG 4.25Å; F1201-L1291 HydrophobicContact CD2-CB 3.61Å; F1201-L1291 HydrophobicContact CD2-CD1 4.28Å; F1201-L1291 HydrophobicContact CD2-CD2 4.41Å; F1201-L1291 HydrophobicContact CD2-CG 4.29Å; F1201-L1291 HydrophobicContact CE1-CD2 3.66Å; F1201-L1291 HydrophobicContact CE2-CB 3.71Å; F1201-L1291 HydrophobicContact CE2-CD2 4.34Å; F1201-L1291 HydrophobicContact CG-CB 3.94Å; F1201-L1291 HydrophobicContact CG-CD1 3.74Å; F1201-L1291 HydrophobicContact CG-CD2 4.06Å; F1201-L1291 HydrophobicContact CG-CG 4.1Å; F1201-L1291 HydrophobicContact CZ-CB 4.15Å; F1201-L1291 HydrophobicContact CZ-CD2 3.95Å; L1287-L1291 PolarHBondContact O-N 2.84Å; I1288-L1291 WeakPolarHBondContact O-CB 3.49Å; I1288-L1291 PolarHBondContact O-N 3.28Å; L1291-A1293 VanDerWaalsContact C-N 3.27Å; L1291-A1293 PolarHBondContact O-N 2.97Å; L1291-M1294 HydrophobicContact CD1-CE 4.5Å; L1291-M1294 PolarHBondContact O-N 3.3Å; L1291-M1295 HydrophobicContact CD1-CE 4.36Å; L1291-M1295 HydrophobicContact CD1-CG 3.81Å; L1291-M1295 HydrophobicContact CD1-SD 3.89Å; L1291-M1295 HydrophobicContact CD2-CE 4.24Å; L1291-M1295 HydrophobicContact CG-CE 3.9Å; L1291-M1295 HydrophobicContact CG-CG 4.27Å; L1291-M1295 HydrophobicContact CG-SD 4.11Å; L1291-M1295 WeakPolarHBondContact O-CB 3.17Å; L1291-M1295 WeakPolarHBondContact O-CG 3.37Å; L1291-M1295 PolarHBondContact O-N 2.74Å
1292I92.6Very high91.8Very high92 Ų9263.9 Ų63.947%0.47233%0.333SS..Hα-helixtrans-58.6-43178.5-65.6166.7000110I1288 N1289 S1296I1288-I1292 HydrophobicContact CG2-CD1 4.05Å; I1288-I1292 WeakPolarHBondContact O-CG1 3.47Å; I1288-I1292 PolarHBondContact O-N 3.49Å; N1289-I1292 PolarHBondContact O-N 3.37Å; I1292-S1296 VanDerWaalsContact O-CB 3.25Å; I1292-S1296 WeakPolarHBondContact O-CB 3.47Å; I1292-S1296 PolarHBondContact O-N 3.22Å
1293A92.8Very high91.7Very high60 Ų6066.9 Ų66.950%0.49634%0.344SS..Hα-helixtrans-62.9-48.8176.400000112.5N1289 L1290 L1291 M1295 S1296 D1297N1289-A1293 WeakPolarHBondContact O-CB 3.14Å; N1289-A1293 PolarHBondContact O-N 3.35Å; L1290-A1293 PolarHBondContact O-N 3.18Å; L1291-A1293 VanDerWaalsContact C-N 3.27Å; L1291-A1293 PolarHBondContact O-N 2.97Å; A1293-M1295 PolarHBondContact O-N 3.45Å; A1293-S1296 PolarHBondContact O-N 3.23Å; A1293-D1297 PolarHBondContact O-N 3.35Å
1294M92.8Very high91.4Very high45 Ų4570.7 Ų70.722%0.22238%0.376CS..Hα-helixtrans-59.8-47.7177.7-72.8-169.7-53.900111.7F1201 L1290 L1291 S1296 D1297 T1298F1201-M1294 HydrophobicContact CB-CE 4.16Å; L1290-M1294 HydrophobicContact CD2-CE 3.58Å; L1290-M1294 HydrophobicContact CD2-CG 4.15Å; L1290-M1294 HydrophobicContact CD2-SD 3.78Å; L1290-M1294 WeakPolarHBondContact O-CG 3.31Å; L1290-M1294 PolarHBondContact O-N 2.94Å; L1291-M1294 HydrophobicContact CD1-CE 4.5Å; L1291-M1294 PolarHBondContact O-N 3.3Å; M1294-S1296 PolarHBondContact O-N 3.42Å; M1294-D1297 PolarHBondContact O-N 3.46Å; M1294-T1298 PolarHBondContact O-N 2.93Å; M1294-T1298 PolarHBondContact O-OG1 2.95Å
1295M93.3Very high91.4Very high56 Ų5673.1 Ų73.128%0.27638%0.383SS..Hα-helixtrans-65.1-39.1179.6-69.3-167.4-50.800112.1L1194 L1291 A1293 Y1299L1194-M1295 HydrophobicContact CD2-CB 4Å; L1194-M1295 HydrophobicContact CD2-CG 4.23Å; L1194-M1295 WeakPolarHBondContact CD2-O 3.23Å; L1291-M1295 HydrophobicContact CD1-CE 4.36Å; L1291-M1295 HydrophobicContact CD1-CG 3.81Å; L1291-M1295 HydrophobicContact CD1-SD 3.89Å; L1291-M1295 HydrophobicContact CD2-CE 4.24Å; L1291-M1295 HydrophobicContact CG-CE 3.9Å; L1291-M1295 HydrophobicContact CG-CG 4.27Å; L1291-M1295 HydrophobicContact CG-SD 4.11Å; L1291-M1295 WeakPolarHBondContact O-CB 3.17Å; L1291-M1295 WeakPolarHBondContact O-CG 3.37Å; L1291-M1295 PolarHBondContact O-N 2.74Å; A1293-M1295 PolarHBondContact O-N 3.45Å; M1295-Y1299 WeakPolarHBondContact O-CB 3.34Å; M1295-Y1299 PolarHBondContact O-N 2.95Å
1296S92.9Very high91.4Very high58 Ų5868.4 Ų68.441%0.40636%0.359SS..Hα-helixtrans-62.8-44.2176.8-178.30000111.8I1292 A1293 M1294 Y1299 Q1300I1292-S1296 VanDerWaalsContact O-CB 3.25Å; I1292-S1296 WeakPolarHBondContact O-CB 3.47Å; I1292-S1296 PolarHBondContact O-N 3.22Å; A1293-S1296 PolarHBondContact O-N 3.23Å; M1294-S1296 PolarHBondContact O-N 3.42Å; S1296-Y1299 PolarHBondContact O-N 3.31Å; S1296-Q1300 WeakPolarHBondContact O-CG 3.48Å; S1296-Q1300 PolarHBondContact O-N 2.86Å
1297D93.5Very high91.4Very high87 Ų8767.2 Ų67.247%0.46535%0.35SS..Hα-helixtrans-68.3-43.6179.7-175.430000111.8A1293 M1294 Y1299 Q1300 R1301A1293-D1297 PolarHBondContact O-N 3.35Å; M1294-D1297 PolarHBondContact O-N 3.46Å; D1297-Y1299 PolarHBondContact O-N 3.46Å; D1297-Q1300 PolarHBondContact O-N 3.19Å; D1297-R1301 PolarHBondContact O-N 2.91Å; D1297-R1301 VanDerWaalsContact O-N 3.1Å
1298T92.4Very high91.3Very high10 Ų1069.1 Ų69.16%0.06136%0.36CS..Hα-helixtrans-64.3-39.4174.6-61.50000112.1L1194 D1197 M1294 R1301 I1302L1194-T1298 HydrophobicContact CD2-CG2 4.15Å; D1197-T1298 WeakPolarHBondContact OD2-CB 3.3Å; D1197-T1298 VanDerWaalsContact OD2-CG2 3.3Å; D1197-T1298 WeakPolarHBondContact OD2-CG2 3.48Å; D1197-T1298 PolarHBondContact OD2-OG1 2.82Å; M1294-T1298 PolarHBondContact O-N 2.93Å; M1294-T1298 PolarHBondContact O-OG1 2.95Å; T1298-R1301 PolarHBondContact O-N 3.47Å; T1298-R1301 PolarHBondContact OG1-NH2 3.27Å; T1298-R1301 VanDerWaalsContact OG1-NH2 3.13Å; T1298-I1302 HydrophobicContact CG2-CD1 3.49Å; T1298-I1302 VanDerWaalsContact CG2-CD1 3.49Å; T1298-I1302 HydrophobicContact CG2-CG1 4.36Å; T1298-I1302 VanDerWaalsContact O-CG1 3.31Å; T1298-I1302 WeakPolarHBondContact O-CG1 3.43Å; T1298-I1302 PolarHBondContact O-N 3.12Å; T1298-I1302 VanDerWaalsContact O-N 3.15Å
1299Y92.4Very high91.2Very high96 Ų9668.2 Ų68.238%0.37636%0.355SS..Hα-helixtrans-58.5-49.5174.3173.8-91.5000111.5I1190 M1295 S1296 D1297 R1301 I1302 Q1303I1190-Y1299 HydrophobicContact CD1-CD2 4.2Å; I1190-Y1299 HydrophobicContact CD1-CE2 3.78Å; I1190-Y1299 HydrophobicContact CG2-CD2 3.75Å; I1190-Y1299 HydrophobicContact CG2-CE2 4.23Å; M1295-Y1299 WeakPolarHBondContact O-CB 3.34Å; M1295-Y1299 PolarHBondContact O-N 2.95Å; S1296-Y1299 PolarHBondContact O-N 3.31Å; D1297-Y1299 PolarHBondContact O-N 3.46Å; Y1299-R1301 VanDerWaalsContact C-N 3.33Å; Y1299-R1301 PolarHBondContact O-N 2.93Å; Y1299-I1302 PolarHBondContact O-N 3.47Å; Y1299-Q1303 PolarHBondContact O-N 2.82Å
1300Q90.7Very high91.3Very high129 Ų12965 Ų6560%0.60334%0.336SS*.Hα-helixtrans-61-40.1-179.6-74.1177.84.900112.3S1296 D1297S1296-Q1300 WeakPolarHBondContact O-CG 3.48Å; S1296-Q1300 PolarHBondContact O-N 2.86Å; D1297-Q1300 PolarHBondContact O-N 3.19Å
1301R90Very high91.3Very high158 Ų15864 Ų6460%0.59633%0.328SS*.Hα-helixtrans-66-36.9177.1-81-173.5-72127.53.3113.5D1297 T1298 Y1299D1297-R1301 PolarHBondContact O-N 2.91Å; D1297-R1301 VanDerWaalsContact O-N 3.1Å; T1298-R1301 PolarHBondContact O-N 3.47Å; T1298-R1301 PolarHBondContact OG1-NH2 3.27Å; T1298-R1301 VanDerWaalsContact OG1-NH2 3.13Å; Y1299-R1301 VanDerWaalsContact C-N 3.33Å; Y1299-R1301 PolarHBondContact O-N 2.93Å
1302I90.5Very high91.2Very high29 Ų2964 Ų6415%0.14933%0.328CS..Hα-helixtrans-97.6-14.8-168.8-56.8174.7000112.4N1193 T1298 Y1299 A1304 Q1305 S1306N1193-I1302 HydrophobicContact CB-CD1 3.7Å; T1298-I1302 HydrophobicContact CG2-CD1 3.49Å; T1298-I1302 VanDerWaalsContact CG2-CD1 3.49Å; T1298-I1302 HydrophobicContact CG2-CG1 4.36Å; T1298-I1302 VanDerWaalsContact O-CG1 3.31Å; T1298-I1302 WeakPolarHBondContact O-CG1 3.43Å; T1298-I1302 PolarHBondContact O-N 3.12Å; T1298-I1302 VanDerWaalsContact O-N 3.15Å; Y1299-I1302 PolarHBondContact O-N 3.47Å; I1302-A1304 PolarHBondContact O-N 2.88Å; I1302-Q1305 CarbonylContact O-C 3.59Å; I1302-Q1305 PolarHBondContact O-N 2.98Å; I1302-Q1305 VanDerWaalsContact O-N 3.08Å; I1302-S1306 WeakPolarHBondContact O-CB 3.5Å; I1302-S1306 PolarHBondContact O-N 3.38Å
1303Q89.3Confident91Very high100 Ų10061.4 Ų61.447%0.46732%0.323SS..Hα-helixtrans-49.8-52.2-173.8-173.9-179.9-6.900113.5Y1299 S1306Y1299-Q1303 PolarHBondContact O-N 2.82Å; Q1303-S1306 PolarHBondContact O-N 3.27Å; Q1303-S1306 PolarHBondContact O-OG 2.89Å
1304A84.9Confident90.9Very high80 Ų8060.3 Ų60.366%0.66131%0.306SS*.Hα-helixtrans-67.2-40-179.700000112.7I1302 S1306 D1307I1302-A1304 PolarHBondContact O-N 2.88Å; A1304-S1306 VanDerWaalsContact C-N 3.3Å; A1304-S1306 PolarHBondContact O-N 3.38Å; A1304-D1307 PolarHBondContact O-N 3.17Å
1305Q88.8Confident90.7Very high108 Ų10858.1 Ų58.151%0.50530%0.295SS..Hα-helixtrans-67.7-32.5177.7-172.7168.8-2.300111.7I1302 D1307 I1308 E1309I1302-Q1305 CarbonylContact O-C 3.59Å; I1302-Q1305 PolarHBondContact O-N 2.98Å; I1302-Q1305 VanDerWaalsContact O-N 3.08Å; Q1305-D1307 VanDerWaalsContact C-N 3.31Å; Q1305-D1307 PolarHBondContact O-N 3.19Å; Q1305-I1308 PolarHBondContact O-N 3.47Å; Q1305-E1309 HydrophobicContact CG-CG 4.33Å; Q1305-E1309 WeakPolarHBondContact O-CG 3.12Å; Q1305-E1309 PolarHBondContact O-N 2.91Å
1306S89.1Confident90.5Very high1 Ų159.6 Ų59.61%0.00730%0.3CS..Hα-helixtrans-65-32.5-179.474.70000113.1I1302 Q1303 A1304 W1310I1302-S1306 WeakPolarHBondContact O-CB 3.5Å; I1302-S1306 PolarHBondContact O-N 3.38Å; Q1303-S1306 PolarHBondContact O-N 3.27Å; Q1303-S1306 PolarHBondContact O-OG 2.89Å; A1304-S1306 VanDerWaalsContact C-N 3.3Å; A1304-S1306 PolarHBondContact O-N 3.38Å; S1306-W1310 VanDerWaalsContact O-CB 3.25Å; S1306-W1310 WeakPolarHBondContact O-CB 3.19Å; S1306-W1310 PolarHBondContact O-N 2.96Å
1307D91.6Very high90.2Very high53 Ų5358.3 Ų58.328%0.28329%0.288SS..Hα-helixtrans-68.5-42.3174.8-178.339.2000111.3A1304 Q1305 W1310 K1311A1304-D1307 PolarHBondContact O-N 3.17Å; Q1305-D1307 VanDerWaalsContact C-N 3.31Å; Q1305-D1307 PolarHBondContact O-N 3.19Å; D1307-W1310 PolarHBondContact O-N 3.11Å; D1307-W1310 VanDerWaalsContact OD1-CE3 3.31Å; D1307-K1311 WeakPolarHBondContact O-CB 3.38Å; D1307-K1311 WeakPolarHBondContact O-CG 3.25Å; D1307-K1311 PolarHBondContact O-N 3.41Å; D1307-K1311 WeakPolarHBondContact OD1-CE 3.48Å; D1307-K1311 IonicContact OD1-NZ 2.87Å; D1307-K1311 WeakPolarHBondContact OD2-CE 3.33Å; D1307-K1311 IonicContact OD2-NZ 2.99Å; D1307-K1311 PolarHBondContact OD2-NZ 2.82Å
1308I91Very high89.9Confident53 Ų5354.3 Ų54.327%0.27227%0.267SS..Hα-helixtrans-64-45.8175.1-60.4171.9000110.3K991 Q1305 W1310 K1311 F1312K991-I1308 HydrophobicContact CB-CG2 3.97Å; Q1305-I1308 PolarHBondContact O-N 3.47Å; I1308-W1310 VanDerWaalsContact C-N 3.31Å; I1308-W1310 PolarHBondContact O-N 3.07Å; I1308-K1311 PolarHBondContact O-N 3.49Å; I1308-F1312 WeakPolarHBondContact O-CB 3.5Å; I1308-F1312 PolarHBondContact O-N 3.29Å
1309E90.5Very high89.5Confident30 Ų3056.5 Ų56.514%0.1427%0.274CS..Hα-helixtrans-63.6-37.2176.8-71.5-156.3156.800112.4K991 V1189 R1192 Q1305 G1313K991-E1309 HydrophobicContact CD-CG 4.37Å; K991-E1309 IonicContact NZ-OE1 3.71Å; K991-E1309 PolarHBondContact NZ-OE1 3.37Å; V1189-E1309 HydrophobicContact CG1-CB 3.92Å; V1189-E1309 VanDerWaalsContact CG1-OE2 3.28Å; V1189-E1309 WeakPolarHBondContact CG1-OE2 3.08Å; V1189-E1309 HydrophobicContact CG2-CB 4.34Å; R1192-E1309 IonicContact NH2-OE2 3.78Å; R1192-E1309 PolarHBondContact NH2-OE2 2.81Å; Q1305-E1309 HydrophobicContact CG-CG 4.33Å; Q1305-E1309 WeakPolarHBondContact O-CG 3.12Å; Q1305-E1309 PolarHBondContact O-N 2.91Å; E1309-G1313 PolarHBondContact O-N 3.09Å
1310W92.3Very high88.9Confident25 Ų2555.2 Ų55.210%0.09527%0.272CS..Hα-helixtrans-65.2-48.3173.9166.459000111.3T1179 H1182 G1185 P1186 V1189 S1306 D1307 I1308 F1312 G1313 R1314T1179-W1310 PolarHBondContact O-NE1 3.18Å; H1182-W1310 VanDerWaalsContact CA-CZ2 3.42Å; H1182-W1310 HydrophobicContact CB-CH2 3.35Å; H1182-W1310 HydrophobicContact CB-CZ2 3.98Å; H1182-W1310 HydrophobicContact CB-CZ3 3.94Å; G1185-W1310 VanDerWaalsContact C-CD1 3.44Å; G1185-W1310 VanDerWaalsContact CA-NE1 3.32Å; P1186-W1310 HydrophobicContact CG-CB 4.28Å; P1186-W1310 HydrophobicContact CG-CD2 4.22Å; P1186-W1310 HydrophobicContact CG-CE3 4.04Å; P1186-W1310 HydrophobicContact CG-CG 4.31Å; V1189-W1310 HydrophobicContact CG2-CB 4.26Å; S1306-W1310 VanDerWaalsContact O-CB 3.25Å; S1306-W1310 WeakPolarHBondContact O-CB 3.19Å; S1306-W1310 PolarHBondContact O-N 2.96Å; D1307-W1310 PolarHBondContact O-N 3.11Å; D1307-W1310 VanDerWaalsContact OD1-CE3 3.31Å; I1308-W1310 VanDerWaalsContact C-N 3.31Å; I1308-W1310 PolarHBondContact O-N 3.07Å; W1310-F1312 VanDerWaalsContact C-N 3.27Å; W1310-F1312 PolarHBondContact O-N 2.61Å; W1310-G1313 CarbonylContact O-C 3.56Å; W1310-G1313 WeakPolarHBondContact O-CA 2.97Å; W1310-G1313 PolarHBondContact O-N 2.9Å; W1310-R1314 WeakPolarHBondContact O-CB 3.25Å; W1310-R1314 PolarHBondContact O-N 3.47Å
1311K92.7Very high88.5Confident55 Ų5549.6 Ų49.624%0.23925%0.245CC..Hα-helixtrans-58.6-38.8177.1-76.4167.8-180160.90112.4Q1000 D1307 I1308 A1315Q1000-K1311 PolarHBondContact NE2-O 2.8Å; D1307-K1311 WeakPolarHBondContact O-CB 3.38Å; D1307-K1311 WeakPolarHBondContact O-CG 3.25Å; D1307-K1311 PolarHBondContact O-N 3.41Å; D1307-K1311 WeakPolarHBondContact OD1-CE 3.48Å; D1307-K1311 IonicContact OD1-NZ 2.87Å; D1307-K1311 WeakPolarHBondContact OD2-CE 3.33Å; D1307-K1311 IonicContact OD2-NZ 2.99Å; D1307-K1311 PolarHBondContact OD2-NZ 2.82Å; I1308-K1311 PolarHBondContact O-N 3.49Å; K1311-A1315 PolarHBondContact O-N 3.2Å
1312F91.8Very high87.9Confident20 Ų2044 Ų449%0.08823%0.228CC..Hα-helixtrans-67.1-44.3172.3-177.6-97.9000112I986 N989 K991 V994 I1308 W1310 R1314 A1315 K1316I986-F1312 HydrophobicContact CG2-CZ 4.25Å; N989-F1312 HydrophobicContact CB-CZ 4.49Å; N989-F1312 WeakPolarHBondContact OD1-CZ 3.48Å; K991-F1312 HydrophobicContact CB-CB 4.44Å; K991-F1312 HydrophobicContact CB-CD2 4.43Å; K991-F1312 HydrophobicContact CB-CG 4.46Å; K991-F1312 HydrophobicContact CG-CB 4.3Å; K991-F1312 HydrophobicContact CG-CD1 4.26Å; K991-F1312 HydrophobicContact CG-CD2 4.11Å; K991-F1312 HydrophobicContact CG-CG 3.96Å; V994-F1312 HydrophobicContact CB-CD2 4.12Å; V994-F1312 HydrophobicContact CG1-CD2 4.24Å; V994-F1312 HydrophobicContact CG2-CD2 4.29Å; V994-F1312 HydrophobicContact CG2-CE2 4.46Å; I1308-F1312 WeakPolarHBondContact O-CB 3.5Å; I1308-F1312 PolarHBondContact O-N 3.29Å; W1310-F1312 VanDerWaalsContact C-N 3.27Å; W1310-F1312 PolarHBondContact O-N 2.61Å; F1312-R1314 VanDerWaalsContact C-N 3.32Å; F1312-R1314 PolarHBondContact O-N 3.21Å; F1312-A1315 WeakPolarHBondContact O-CB 3.39Å; F1312-A1315 PolarHBondContact O-N 3.37Å; F1312-K1316 PolarHBondContact O-N 3.33Å
1313G88.2Confident87.1Confident36 Ų3648.3 Ų48.337%0.37125%0.245SC..Hα-helixtrans-59.5-40.617400000112.8E1309 W1310 K1316 L1317E1309-G1313 PolarHBondContact O-N 3.09Å; W1310-G1313 CarbonylContact O-C 3.56Å; W1310-G1313 WeakPolarHBondContact O-CA 2.97Å; W1310-G1313 PolarHBondContact O-N 2.9Å; G1313-K1316 PolarHBondContact O-N 2.91Å; G1313-L1317 WeakPolarHBondContact O-CB 3.41Å; G1313-L1317 PolarHBondContact O-N 2.89Å
1314R90Very high86.3Confident37 Ų3746 Ų4614%0.1423%0.233CC..Hα-helixtrans-61.7-44.3173.3-179.2-177.1174.5-121.90.4111T1004 W1310 F1312 K1316 L1317 I1318T1004-R1314 PolarHBondContact OG1-NH1 2.89Å; T1004-R1314 PolarHBondContact OG1-NH2 2.89Å; W1310-R1314 WeakPolarHBondContact O-CB 3.25Å; W1310-R1314 PolarHBondContact O-N 3.47Å; F1312-R1314 VanDerWaalsContact C-N 3.32Å; F1312-R1314 PolarHBondContact O-N 3.21Å; R1314-K1316 PolarHBondContact O-N 3.03Å; R1314-L1317 PolarHBondContact O-N 2.85Å; R1314-I1318 HydrophobicContact CG-CD1 3.95Å; R1314-I1318 WeakPolarHBondContact O-CD1 3.27Å; R1314-I1318 WeakPolarHBondContact O-CG1 3.48Å; R1314-I1318 PolarHBondContact O-N 3.5Å
1315A89.7Confident85.5Confident0 Ų045 Ų450%022%0.222CC..Hα-helixtrans-61.3-43.9175.300000111.9I986 V994 L1003 K1311 F1312 L1317 I1318 R1319I986-A1315 HydrophobicContact CD1-CB 4.3Å; V994-A1315 HydrophobicContact CG1-CB 3.39Å; L1003-A1315 HydrophobicContact CD1-CB 3.48Å; L1003-A1315 VanDerWaalsContact CD1-CB 3.48Å; L1003-A1315 HydrophobicContact CD2-CB 4.42Å; K1311-A1315 PolarHBondContact O-N 3.2Å; F1312-A1315 WeakPolarHBondContact O-CB 3.39Å; F1312-A1315 PolarHBondContact O-N 3.37Å; A1315-L1317 VanDerWaalsContact C-N 3.34Å; A1315-L1317 PolarHBondContact O-N 2.85Å; A1315-I1318 PolarHBondContact O-N 3.12Å; A1315-R1319 PolarHBondContact O-N 3.16Å
1316K87.9Confident84.6Confident87 Ų8740.4 Ų40.438%0.37820%0.202SC..Hα-helixtrans-61.4-43.2175.7-167.1-176.8-178-166.80111.5I986 F1312 G1313 R1314 R1319 E1320I986-K1316 HydrophobicContact CG2-CG 4.47Å; F1312-K1316 PolarHBondContact O-N 3.33Å; G1313-K1316 PolarHBondContact O-N 2.91Å; R1314-K1316 PolarHBondContact O-N 3.03Å; K1316-R1319 WeakPolarHBondContact O-CB 3.47Å; K1316-R1319 PolarHBondContact O-N 3.19Å; K1316-E1320 WeakPolarHBondContact CE-OE1 3.32Å; K1316-E1320 IonicContact NZ-OE1 3.86Å; K1316-E1320 WeakPolarHBondContact O-CB 3.22Å; K1316-E1320 WeakPolarHBondContact O-CG 3.22Å; K1316-E1320 PolarHBondContact O-N 3.26Å
1317L86.5Confident84.2Confident30 Ų3040.6 Ų40.616%0.15720%0.204CC..Hα-helixtrans-63.5-42.9175.8179.563.9000112.1V1180 G1313 R1314 A1315 R1319 E1320 M1321V1180-L1317 HydrophobicContact CG2-CD2 3.36Å; G1313-L1317 WeakPolarHBondContact O-CB 3.41Å; G1313-L1317 PolarHBondContact O-N 2.89Å; R1314-L1317 PolarHBondContact O-N 2.85Å; A1315-L1317 VanDerWaalsContact C-N 3.34Å; A1315-L1317 PolarHBondContact O-N 2.85Å; L1317-R1319 VanDerWaalsContact C-N 3.32Å; L1317-R1319 PolarHBondContact O-N 3.35Å; L1317-E1320 PolarHBondContact O-N 3.28Å; L1317-M1321 HydrophobicContact CD1-CE 3.67Å; L1317-M1321 HydrophobicContact CD1-CG 4.05Å; L1317-M1321 HydrophobicContact CG-CG 4.34Å; L1317-M1321 WeakPolarHBondContact O-CB 3.49Å; L1317-M1321 VanDerWaalsContact O-CG 3.28Å; L1317-M1321 WeakPolarHBondContact O-CG 3.31Å; L1317-M1321 PolarHBondContact O-N 2.89Å
1318I87.1Confident83.7Confident4 Ų438.1 Ų38.12%0.02119%0.191CC..Hα-helixtrans-60.9-44.6176.1-66.9163000109.8L1003 V1006 W1007 R1314 A1315 M1321 N1322L1003-I1318 HydrophobicContact CB-CD1 3.93Å; L1003-I1318 HydrophobicContact CD2-CD1 4.47Å; L1003-I1318 HydrophobicContact CD2-CG2 4.38Å; V1006-I1318 HydrophobicContact CB-CG2 4.46Å; V1006-I1318 HydrophobicContact CG1-CG2 3.91Å; W1007-I1318 HydrophobicContact CB-CD1 4.3Å; W1007-I1318 HydrophobicContact CB-CG1 4.37Å; W1007-I1318 HydrophobicContact CD2-CG1 4.39Å; W1007-I1318 HydrophobicContact CE3-CB 4.5Å; W1007-I1318 HydrophobicContact CE3-CG1 3.69Å; W1007-I1318 HydrophobicContact CZ3-CG1 4.32Å; R1314-I1318 HydrophobicContact CG-CD1 3.95Å; R1314-I1318 WeakPolarHBondContact O-CD1 3.27Å; R1314-I1318 WeakPolarHBondContact O-CG1 3.48Å; R1314-I1318 PolarHBondContact O-N 3.5Å; A1315-I1318 PolarHBondContact O-N 3.12Å; I1318-M1321 PolarHBondContact O-N 3.47Å; I1318-N1322 WeakPolarHBondContact O-CB 3.33Å; I1318-N1322 PolarHBondContact O-N 3.38Å
1319R83.7Confident83.4Confident56 Ų5636.1 Ų36.121%0.21118%0.182CC..Hα-helixtrans-60.4-47.9175-175-177.174.4166.56.9111.8D983 I986 A1315 K1316 L1317 N1322 K1323D983-R1319 WeakPolarHBondContact OD1-CD 3.34Å; D983-R1319 WeakPolarHBondContact OD1-CG 3.39Å; I986-R1319 HydrophobicContact CD1-CB 4.15Å; A1315-R1319 PolarHBondContact O-N 3.16Å; K1316-R1319 WeakPolarHBondContact O-CB 3.47Å; K1316-R1319 PolarHBondContact O-N 3.19Å; L1317-R1319 VanDerWaalsContact C-N 3.32Å; L1317-R1319 PolarHBondContact O-N 3.35Å; R1319-N1322 PolarHBondContact O-N 2.99Å; R1319-K1323 HydrophobicContact CG-CD 4.35Å; R1319-K1323 WeakPolarHBondContact O-CG 3.15Å; R1319-K1323 PolarHBondContact O-N 3.2Å
1320E80.7Confident83.2Confident69 Ų6935.1 Ų35.132%0.32218%0.178SC..Hα-helixtrans-63.6-39.2178.5-76.3175.6-16800112.1K1316 L1317 K1323 K1324K1316-E1320 WeakPolarHBondContact CE-OE1 3.32Å; K1316-E1320 IonicContact NZ-OE1 3.86Å; K1316-E1320 WeakPolarHBondContact O-CB 3.22Å; K1316-E1320 WeakPolarHBondContact O-CG 3.22Å; K1316-E1320 PolarHBondContact O-N 3.26Å; L1317-E1320 PolarHBondContact O-N 3.28Å; E1320-K1323 PolarHBondContact O-N 2.97Å; E1320-K1324 VanDerWaalsContact O-CB 3.24Å; E1320-K1324 WeakPolarHBondContact O-CB 3.42Å; E1320-K1324 WeakPolarHBondContact O-CG 3.48Å; E1320-K1324 PolarHBondContact O-N 2.96Å
1321M81.9Confident82.9Confident10 Ų1034 Ų345%0.04917%0.174CC..Hα-helixtrans-70.5-32.6176.1-72.4-61146.800112.3W1007 P1047 K1050 L1317 I1318 K1324W1007-M1321 HydrophobicContact CZ3-CB 4.39Å; W1007-M1321 HydrophobicContact CZ3-CG 4.28Å; P1047-M1321 HydrophobicContact CB-CB 4.15Å; K1050-M1321 VanDerWaalsContact CD-O 3.29Å; K1050-M1321 WeakPolarHBondContact CD-O 3.5Å; L1317-M1321 HydrophobicContact CD1-CE 3.67Å; L1317-M1321 HydrophobicContact CD1-CG 4.05Å; L1317-M1321 HydrophobicContact CG-CG 4.34Å; L1317-M1321 WeakPolarHBondContact O-CB 3.49Å; L1317-M1321 VanDerWaalsContact O-CG 3.28Å; L1317-M1321 WeakPolarHBondContact O-CG 3.31Å; L1317-M1321 PolarHBondContact O-N 2.89Å; I1318-M1321 PolarHBondContact O-N 3.47Å; M1321-K1324 HydrophobicContact CE-CD 3.89Å; M1321-K1324 HydrophobicContact SD-CD 4.09Å
1322N78.5Confident82.5Confident42 Ų4231.8 Ų31.823%0.22517%0.165CC..Hα-helixtrans-68.3-43.4174.4-157.120.5000110.9P1047 K1050 I1318 R1319P1047-N1322 HydrophobicContact CG-CB 4.45Å; K1050-N1322 PolarHBondContact NZ-O 3.46Å; I1318-N1322 WeakPolarHBondContact O-CB 3.33Å; I1318-N1322 PolarHBondContact O-N 3.38Å; R1319-N1322 PolarHBondContact O-N 2.99Å
1323K73.4Confident82.1Confident118 Ų11832.5 Ų32.551%0.51317%0.169SC..Hα-helixtrans-72.5-28.9175.9-67.3-177-176.1-174.10113.3D983 R1319 E1320D983-K1323 WeakPolarHBondContact OD2-CE 3.3Å; D983-K1323 IonicContact OD2-NZ 2.62Å; D983-K1323 PolarHBondContact OD2-NZ 3.44Å; R1319-K1323 HydrophobicContact CG-CD 4.35Å; R1319-K1323 WeakPolarHBondContact O-CG 3.15Å; R1319-K1323 PolarHBondContact O-N 3.2Å; E1320-K1323 PolarHBondContact O-N 2.97Å
1324K71Confident82Confident51 Ų5135.7 Ų35.722%0.22218%0.177CC..SBendtrans-64.1136175.3-99.6171.6176.2174.80110.1K1050 Q1105 E1320 M1321K1050-K1324 WeakPolarHBondContact CD-O 3.29Å; K1050-K1324 PolarHBondContact NZ-O 3.32Å; Q1105-K1324 VanDerWaalsContact CD-CE 3.46Å; Q1105-K1324 VanDerWaalsContact NE2-CE 3.29Å; E1320-K1324 VanDerWaalsContact O-CB 3.24Å; E1320-K1324 WeakPolarHBondContact O-CB 3.42Å; E1320-K1324 WeakPolarHBondContact O-CG 3.48Å; E1320-K1324 PolarHBondContact O-N 2.96Å; M1321-K1324 HydrophobicContact CE-CD 3.89Å; M1321-K1324 HydrophobicContact SD-CD 4.09Å
1325S68.6Low81.6Confident61 Ų6134.7 Ų34.743%0.42718%0.175SC..  trans-62.7150.5166.874.20000110.2H1054 A1327H1054-S1325 PolarHBondContact NE2-O 2.9Å; S1325-A1327 PolarHBondContact O-N 3.47Å
1326A70.2Confident81.1Confident10 Ų1037 Ų378%0.08319%0.185CC..SBendtrans-65.3-19.4178.400000112.8K1050 P1328K1050-A1326 HydrophobicContact CG-CB 4.02Å; A1326-P1328 WeakPolarHBondContact O-CD 3.31Å
1327A80Confident80.9Confident6 Ų637.7 Ų37.75%0.0519%0.193CC..  trans-78.1107-17500000111.7S1036 S1325 V1331 N1332 T1335S1036-A1327 WeakPolarHBondContact O-CA 3.23Å; S1325-A1327 PolarHBondContact O-N 3.47Å; A1327-V1331 HydrophobicContact CB-CG1 4.42Å; A1327-N1332 HydrophobicContact CB-CB 4.41Å; A1327-T1335 HydrophobicContact CB-CG2 3.87Å
1328P82.7Confident80.7Confident1 Ų143 Ų431%0.00622%0.215CC..  trans-79.2168.6174.536.7-31.4000110.7W1032 S1036 C1053 H1054 A1326 P1330 V1331 N1332W1032-P1328 HydrophobicContact CZ2-CG 3.99Å; S1036-P1328 VanDerWaalsContact CB-CD 3.49Å; C1053-P1328 HydrophobicContact CB-CG 4.47Å; H1054-P1328 WeakPolarHBondContact ND1-CB 3.44Å; A1326-P1328 WeakPolarHBondContact O-CD 3.31Å; P1328-P1330 CarbonylContact O-C 3.55Å; P1328-V1331 WeakPolarHBondContact O-CA 3.49Å; P1328-V1331 WeakPolarHBondContact O-CB 3.13Å; P1328-V1331 PolarHBondContact O-N 3.44Å; P1328-N1332 PolarHBondContact O-N 3.02Å
1329A82.9Confident80.3Confident10 Ų1043.7 Ų43.78%0.08322%0.218CC..THydrogen-bonded Turntrans-61134.5168.400000109.4S1057 W1094 K1098S1057-A1329 PolarHBondContact OG-O 3.38Å; W1094-A1329 PolarHBondContact NE1-O 3.38Å; K1098-A1329 HydrophobicContact CG-CB 4.22Å
1330P86.4Confident80.1Confident10 Ų1043 Ų437%0.06522%0.22CC..THydrogen-bonded Turncis-96.5-0.42.240.3-33.6000113.5L1093 W1094 P1328 N1332 I1333L1093-P1330 HydrophobicContact CD2-CB 3.97Å; L1093-P1330 HydrophobicContact CD2-CG 3.97Å; L1093-P1330 HydrophobicContact CG-CB 3.73Å; L1093-P1330 HydrophobicContact CG-CG 4.27Å; L1093-P1330 WeakPolarHBondContact O-CB 3.35Å; W1094-P1330 HydrophobicContact CD2-CB 4.35Å; W1094-P1330 HydrophobicContact CD2-CG 3.81Å; W1094-P1330 VanDerWaalsContact CE2-CD 3.42Å; W1094-P1330 HydrophobicContact CE3-CB 4.21Å; W1094-P1330 HydrophobicContact CE3-CG 3.51Å; W1094-P1330 HydrophobicContact CH2-CG 3.87Å; W1094-P1330 HydrophobicContact CZ2-CG 4.16Å; W1094-P1330 HydrophobicContact CZ3-CG 3.54Å; P1328-P1330 CarbonylContact O-C 3.55Å; P1330-N1332 PolarHBondContact O-N 2.83Å; P1330-N1332 VanDerWaalsContact O-N 3.11Å; P1330-N1332 PolarHBondContact O-OD1 3.19Å; P1330-I1333 HydrophobicContact CB-CD1 4.33Å; P1330-I1333 WeakPolarHBondContact O-CB 3.31Å; P1330-I1333 PolarHBondContact O-N 3.13Å
1331V86.2Confident80.2Confident2 Ų243.1 Ų43.11%0.01223%0.226CC..Hα-helixtrans-57.8-28.6-176.8-174.90000110.8W1032 F1033 L1037 A1327 P1328 I1333 L1334 T1335W1032-V1331 HydrophobicContact CH2-CG2 3.95Å; W1032-V1331 HydrophobicContact CZ2-CG2 4.15Å; F1033-V1331 HydrophobicContact CD2-CG2 3.85Å; F1033-V1331 HydrophobicContact CE2-CG1 4.23Å; F1033-V1331 HydrophobicContact CE2-CG2 3.92Å; L1037-V1331 HydrophobicContact CD2-CG1 4.48Å; A1327-V1331 HydrophobicContact CB-CG1 4.42Å; P1328-V1331 WeakPolarHBondContact O-CA 3.49Å; P1328-V1331 WeakPolarHBondContact O-CB 3.13Å; P1328-V1331 PolarHBondContact O-N 3.44Å; V1331-I1333 PolarHBondContact O-N 3.33Å; V1331-L1334 PolarHBondContact O-N 2.84Å; V1331-T1335 HydrophobicContact CG1-CG2 4.37Å; V1331-T1335 PolarHBondContact O-N 3.46Å
1332N84.4Confident80.2Confident7 Ų747.1 Ų47.14%0.03724%0.243CC..Hα-helixtrans-56.4-29.617374.2-24.6000114.7G1097 A1327 P1328 P1330 T1335 K1336G1097-N1332 WeakPolarHBondContact CA-OD1 3.38Å; G1097-N1332 PolarHBondContact O-ND2 3.07Å; A1327-N1332 HydrophobicContact CB-CB 4.41Å; P1328-N1332 PolarHBondContact O-N 3.02Å; P1330-N1332 PolarHBondContact O-N 2.83Å; P1330-N1332 VanDerWaalsContact O-N 3.11Å; P1330-N1332 PolarHBondContact O-OD1 3.19Å; N1332-T1335 WeakPolarHBondContact CA-OG1 3.15Å; N1332-T1335 PolarHBondContact O-OG1 3.01Å; N1332-K1336 VanDerWaalsContact O-CB 3.3Å; N1332-K1336 WeakPolarHBondContact O-CB 3.33Å; N1332-K1336 WeakPolarHBondContact O-CG 3.2Å; N1332-K1336 PolarHBondContact O-N 3.25Å
1333I85.1Confident80.2Confident36 Ų3645.2 Ų45.219%0.18523%0.233CC..Hα-helixtrans-64.7-47.9175.5-64.3166.3000108.6L1093 S1096 P1330 V1331 L1337L1093-I1333 HydrophobicContact CD1-CD1 3.86Å; L1093-I1333 HydrophobicContact CG-CD1 4.3Å; L1093-I1333 WeakPolarHBondContact O-CD1 3.45Å; S1096-I1333 WeakPolarHBondContact OG-CD1 3.11Å; P1330-I1333 HydrophobicContact CB-CD1 4.33Å; P1330-I1333 WeakPolarHBondContact O-CB 3.31Å; P1330-I1333 PolarHBondContact O-N 3.13Å; V1331-I1333 PolarHBondContact O-N 3.33Å; I1333-L1337 WeakPolarHBondContact O-CB 3.4Å; I1333-L1337 PolarHBondContact O-N 3.29Å
1334L85Confident80.5Confident102 Ų10240.3 Ų40.353%0.53421%0.214SC..Hα-helixtrans-65.6-41.9-178.6-65.8174.5000111.4F1033 V1331 F1338F1033-L1334 HydrophobicContact CE2-CD1 4.19Å; F1033-L1334 HydrophobicContact CZ-CD1 4.06Å; V1331-L1334 PolarHBondContact O-N 2.84Å; L1334-F1338 VanDerWaalsContact O-CB 3.28Å; L1334-F1338 WeakPolarHBondContact O-CB 3.34Å; L1334-F1338 PolarHBondContact O-N 3.14Å
1335T81.5Confident81.1Confident17 Ų1744 Ų4410%0.10424%0.236CC..Hα-helixtrans-68.6-45.3179.659.50000111.7P1038 A1327 V1331 N1332 L1337 F1338 I1339P1038-T1335 HydrophobicContact CG-CG2 4.13Å; A1327-T1335 HydrophobicContact CB-CG2 3.87Å; V1331-T1335 HydrophobicContact CG1-CG2 4.37Å; V1331-T1335 PolarHBondContact O-N 3.46Å; N1332-T1335 WeakPolarHBondContact CA-OG1 3.15Å; N1332-T1335 PolarHBondContact O-OG1 3.01Å; T1335-L1337 PolarHBondContact O-N 2.88Å; T1335-F1338 PolarHBondContact O-N 3.16Å; T1335-I1339 WeakPolarHBondContact O-CG1 3.49Å; T1335-I1339 PolarHBondContact O-N 2.91Å
1336K79.3Confident81.6Confident47 Ų4747.2 Ų47.220%0.20424%0.242CC..Hα-helixtrans-66.9-36.1176.1-77.4-177.4171.2-98.50112.8V1100 S1104 N1332 F1338 I1339 T1340 E1364V1100-K1336 HydrophobicContact CG1-CD 3.53Å; S1104-K1336 WeakPolarHBondContact OG-CE 3.28Å; S1104-K1336 PolarHBondContact OG-NZ 3.04Å; N1332-K1336 VanDerWaalsContact O-CB 3.3Å; N1332-K1336 WeakPolarHBondContact O-CB 3.33Å; N1332-K1336 WeakPolarHBondContact O-CG 3.2Å; N1332-K1336 PolarHBondContact O-N 3.25Å; K1336-F1338 VanDerWaalsContact C-N 3.33Å; K1336-I1339 PolarHBondContact O-N 2.96Å; K1336-T1340 WeakPolarHBondContact O-CB 3.24Å; K1336-T1340 PolarHBondContact O-N 2.81Å; K1336-T1340 PolarHBondContact O-OG1 3.45Å; K1336-E1364 IonicContact NZ-OE1 2.93Å; K1336-E1364 PolarHBondContact NZ-OE1 3.27Å; K1336-E1364 IonicContact NZ-OE2 3.98Å
1337L82.8Confident81.8Confident103 Ų10348.4 Ų48.454%0.53925%0.247SC..Hα-helixtrans-67.4-37.8175.5-159.8137.3000110.8I1333 T1335 T1340 V1341I1333-L1337 WeakPolarHBondContact O-CB 3.4Å; I1333-L1337 PolarHBondContact O-N 3.29Å; T1335-L1337 PolarHBondContact O-N 2.88Å; L1337-T1340 VanDerWaalsContact CA-OG1 3.24Å; L1337-T1340 WeakPolarHBondContact CA-OG1 3.43Å; L1337-T1340 PolarHBondContact O-OG1 3.44Å; L1337-V1341 HydrophobicContact CD2-CG2 4.21Å; L1337-V1341 WeakPolarHBondContact O-CB 3.26Å; L1337-V1341 WeakPolarHBondContact O-CG2 3.42Å; L1337-V1341 PolarHBondContact O-N 3.35Å
1338F83.9Confident81.5Confident140 Ų14056.8 Ų56.861%0.61428%0.282SS*.Hα-helixtrans-64-45.6172.6-178-99.3000112.3L1334 T1335 K1336 V1341 K1342L1334-F1338 VanDerWaalsContact O-CB 3.28Å; L1334-F1338 WeakPolarHBondContact O-CB 3.34Å; L1334-F1338 PolarHBondContact O-N 3.14Å; T1335-F1338 PolarHBondContact O-N 3.16Å; K1336-F1338 VanDerWaalsContact C-N 3.33Å; F1338-V1341 PolarHBondContact O-N 3.49Å; F1338-K1342 HydrophobicContact CE1-CD 4.28Å; F1338-K1342 VanDerWaalsContact O-CB 3.31Å; F1338-K1342 WeakPolarHBondContact O-CB 3.4Å; F1338-K1342 PolarHBondContact O-N 2.95Å
1339I78.8Confident81Confident20 Ų2061.7 Ų61.710%0.10332%0.315CS..Hα-helixtrans-63.1-46.1177.6-66.1164.7000110.6T1335 K1336 V1341 K1342 V1343 E1363 E1364T1335-I1339 WeakPolarHBondContact O-CG1 3.49Å; T1335-I1339 PolarHBondContact O-N 2.91Å; K1336-I1339 PolarHBondContact O-N 2.96Å; I1339-V1341 PolarHBondContact O-N 3.38Å; I1339-K1342 PolarHBondContact O-N 3.16Å; I1339-V1343 HydrophobicContact CG2-CG2 4.36Å; I1339-V1343 WeakPolarHBondContact O-CG2 2.97Å; I1339-V1343 PolarHBondContact O-N 3.46Å; I1339-E1363 HydrophobicContact CG2-CB 3.96Å; I1339-E1364 HydrophobicContact CG2-CG 4.46Å
1340T79.1Confident80.5Confident41 Ų4165.9 Ų65.925%0.25234%0.335SS..Hα-helixtrans-62.7-40.8177.241.50000112.5K1336 L1337 V1343 A1344 M1360K1336-T1340 WeakPolarHBondContact O-CB 3.24Å; K1336-T1340 PolarHBondContact O-N 2.81Å; K1336-T1340 PolarHBondContact O-OG1 3.45Å; L1337-T1340 VanDerWaalsContact CA-OG1 3.24Å; L1337-T1340 WeakPolarHBondContact CA-OG1 3.43Å; L1337-T1340 PolarHBondContact O-OG1 3.44Å; T1340-V1343 PolarHBondContact O-N 3.28Å; T1340-A1344 WeakPolarHBondContact O-CB 2.99Å; T1340-A1344 PolarHBondContact O-N 3.23Å; T1340-M1360 HydrophobicContact CG2-CE 3.25Å; T1340-M1360 HydrophobicContact CG2-SD 3.99Å
1341V83.2Confident79.7Confident72 Ų7268.9 Ų68.944%0.43635%0.35SS..Hα-helixtrans-64.1-41.7174.11690000111L1337 F1338 I1339 A1344 L1345L1337-V1341 HydrophobicContact CD2-CG2 4.21Å; L1337-V1341 WeakPolarHBondContact O-CB 3.26Å; L1337-V1341 WeakPolarHBondContact O-CG2 3.42Å; L1337-V1341 PolarHBondContact O-N 3.35Å; F1338-V1341 PolarHBondContact O-N 3.49Å; I1339-V1341 PolarHBondContact O-N 3.38Å; V1341-A1344 PolarHBondContact O-N 3.36Å; V1341-L1345 HydrophobicContact CG1-CD1 3.94Å; V1341-L1345 WeakPolarHBondContact O-CB 3.37Å; V1341-L1345 WeakPolarHBondContact O-CG 3.49Å; V1341-L1345 PolarHBondContact O-N 3.3Å
1342K81.3Confident79Confident94 Ų9474.9 Ų74.941%0.40939%0.391SS..Hα-helixtrans-63.8-43.7177.8-173.8173.4166.7-135.50111.8F1338 I1339 L1345 K1346 E1363F1338-K1342 HydrophobicContact CE1-CD 4.28Å; F1338-K1342 VanDerWaalsContact O-CB 3.31Å; F1338-K1342 WeakPolarHBondContact O-CB 3.4Å; F1338-K1342 PolarHBondContact O-N 2.95Å; I1339-K1342 PolarHBondContact O-N 3.16Å; K1342-L1345 PolarHBondContact O-N 2.83Å; K1342-K1346 WeakPolarHBondContact O-CB 3.37Å; K1342-K1346 PolarHBondContact O-N 2.83Å; K1342-E1363 VanDerWaalsContact CD-OE2 3.31Å; K1342-E1363 WeakPolarHBondContact CD-OE2 3.2Å; K1342-E1363 VanDerWaalsContact CE-OE1 3.26Å; K1342-E1363 WeakPolarHBondContact CE-OE1 3.48Å; K1342-E1363 WeakPolarHBondContact CE-OE2 3.32Å; K1342-E1363 IonicContact NZ-OE1 3.62Å; K1342-E1363 PolarHBondContact NZ-OE1 3.25Å; K1342-E1363 IonicContact NZ-OE2 2.72Å; K1342-E1363 PolarHBondContact NZ-OE2 3.05Å
1343V78.4Confident78.5Confident1 Ų177.4 Ų77.41%0.00641%0.407CS..Hα-helixtrans-66.7-39.9174.51750000111.2I1339 T1340 L1345 K1346 N1347 D1359 M1360 E1363I1339-V1343 HydrophobicContact CG2-CG2 4.36Å; I1339-V1343 WeakPolarHBondContact O-CG2 2.97Å; I1339-V1343 PolarHBondContact O-N 3.46Å; T1340-V1343 PolarHBondContact O-N 3.28Å; V1343-L1345 VanDerWaalsContact C-N 3.35Å; V1343-L1345 PolarHBondContact O-N 2.89Å; V1343-K1346 WeakPolarHBondContact O-CB 3.45Å; V1343-K1346 PolarHBondContact O-N 3.35Å; V1343-N1347 PolarHBondContact O-N 2.56Å; V1343-D1359 HydrophobicContact CG1-CB 4.25Å; V1343-M1360 HydrophobicContact CG1-CB 4.26Å; V1343-M1360 HydrophobicContact CG2-CB 4.33Å; V1343-M1360 HydrophobicContact CG2-CG 4.49Å; V1343-E1363 HydrophobicContact CG2-CB 4.45Å; V1343-E1363 HydrophobicContact CG2-CG 4.27Å
1344A80.3Confident78Confident15 Ų1583.7 Ų83.712%0.12444%0.435CS..Hα-helixtrans-61.9-42.7175.600000111.4T1340 V1341 K1346 N1347 K1348 C1349 L1351T1340-A1344 WeakPolarHBondContact O-CB 2.99Å; T1340-A1344 PolarHBondContact O-N 3.23Å; V1341-A1344 PolarHBondContact O-N 3.36Å; A1344-K1346 VanDerWaalsContact C-N 3.32Å; A1344-K1346 PolarHBondContact O-N 2.74Å; A1344-N1347 CarbonylContact O-C 3.56Å; A1344-N1347 PolarHBondContact O-N 3.31Å; A1344-K1348 PolarHBondContact O-N 3.48Å; A1344-K1348 VanDerWaalsContact O-N 3.1Å; A1344-C1349 PolarHBondContact O-N 2.94Å; A1344-L1351 HydrophobicContact CB-CD1 3.9Å; A1344-L1351 HydrophobicContact CB-CG 4.23Å
1345L82.5Confident77.4Confident129 Ų12986.6 Ų86.668%0.67544%0.444SS*.Hα-helixtrans-63.5-39.1174.5-76164.4000111.5V1341 K1342 V1343V1341-L1345 HydrophobicContact CG1-CD1 3.94Å; V1341-L1345 WeakPolarHBondContact O-CB 3.37Å; V1341-L1345 WeakPolarHBondContact O-CG 3.49Å; V1341-L1345 PolarHBondContact O-N 3.3Å; K1342-L1345 PolarHBondContact O-N 2.83Å; V1343-L1345 VanDerWaalsContact C-N 3.35Å; V1343-L1345 PolarHBondContact O-N 2.89Å
1346K79.4Confident77Confident128 Ų12885.9 Ų85.956%0.55744%0.439SS*.Hα-helixtrans-66.6-39.1178.1-141.1178.5-175.8-176.20112.4K1342 V1343 A1344K1342-K1346 WeakPolarHBondContact O-CB 3.37Å; K1342-K1346 PolarHBondContact O-N 2.83Å; V1343-K1346 WeakPolarHBondContact O-CB 3.45Å; V1343-K1346 PolarHBondContact O-N 3.35Å; A1344-K1346 VanDerWaalsContact C-N 3.32Å; A1344-K1346 PolarHBondContact O-N 2.74Å
1347N74.3Confident76.6Confident35 Ų3589.3 Ų89.319%0.18746%0.456CS..THydrogen-bonded Turntrans-100.425.3-178.7-73.2-42.9000114.1V1343 A1344 C1349 I1350 A1356 D1359V1343-N1347 PolarHBondContact O-N 2.56Å; A1344-N1347 CarbonylContact O-C 3.56Å; A1344-N1347 PolarHBondContact O-N 3.31Å; N1347-C1349 VanDerWaalsContact C-N 3.28Å; N1347-C1349 PolarHBondContact O-N 2.69Å; N1347-I1350 PolarHBondContact O-N 2.99Å; N1347-A1356 HydrophobicContact CB-CB 4.19Å; N1347-A1356 VanDerWaalsContact ND2-CA 3.3Å; N1347-A1356 WeakPolarHBondContact ND2-CA 3.47Å; N1347-A1356 WeakPolarHBondContact ND2-CB 3.33Å; N1347-D1359 PolarHBondContact ND2-OD2 2.87Å
1348K73.9Confident76Confident183 Ų18386.9 Ų86.980%0.79645%0.451SS*.THydrogen-bonded Turntrans49.945.4175.8-62.1-176.7177.3-179.50113.5A1344 I1350A1344-K1348 PolarHBondContact O-N 3.48Å; A1344-K1348 VanDerWaalsContact O-N 3.1Å; K1348-I1350 PolarHBondContact O-N 3.41Å
1349C73.2Confident75.5Confident103 Ų10382.4 Ų82.470%0.69643%0.433SS*.THydrogen-bonded Turntrans66.411.4-178.8-57.20000115.9A1344 N1347A1344-C1349 PolarHBondContact O-N 2.94Å; N1347-C1349 VanDerWaalsContact C-N 3.28Å; N1347-C1349 PolarHBondContact O-N 2.69Å
1350I72.5Confident75.1Confident99 Ų9984 Ų8451%0.50844%0.441SS..  trans-97.396.3175.5-53.3171.3000108.6N1347 K1348 T1353 A1356N1347-I1350 PolarHBondContact O-N 2.99Å; K1348-I1350 PolarHBondContact O-N 3.41Å; I1350-T1353 HydrophobicContact CG2-CG2 3.64Å; I1350-A1356 WeakPolarHBondContact O-CB 3.47Å
1351L67.7Low74.4Confident73 Ų7386.7 Ų86.738%0.38245%0.453SS..  trans-89-19.3-178.6-85.2141000113.9A1344 T1353A1344-L1351 HydrophobicContact CB-CD1 3.9Å; A1344-L1351 HydrophobicContact CB-CG 4.23Å; L1351-T1353 PolarHBondContact O-N 3.49Å
1352C72.9Confident73.5Confident128 Ų12889.2 Ų89.287%0.86546%0.462SS*.SBendtrans-89.98.8-173.2-62.20000114.9
1353T72.6Confident72.8Confident59 Ų5986.2 Ų86.236%0.36245%0.449SS..SBendtrans-85.4145.6174.546.60000111.4I1350 L1351 K1355 A1356 Q1357I1350-T1353 HydrophobicContact CG2-CG2 3.64Å; L1351-T1353 PolarHBondContact O-N 3.49Å; T1353-K1355 PolarHBondContact O-N 2.7Å; T1353-K1355 VanDerWaalsContact O-N 3.13Å; T1353-A1356 WeakPolarHBondContact O-CA 3.41Å; T1353-A1356 WeakPolarHBondContact O-CB 3.45Å; T1353-A1356 PolarHBondContact O-N 2.81Å; T1353-A1356 WeakPolarHBondContact OG1-CB 3.28Å; T1353-A1356 PolarHBondContact OG1-N 2.84Å; T1353-Q1357 PolarHBondContact O-N 3.35Å
1354E74.4Confident72Confident168 Ų16889.1 Ų89.179%0.78546%0.463SS*.Hα-helixtrans-51.9-36.8173.4-77.9-172.7156.300112.2A1356 Q1357 A1358E1354-A1356 PolarHBondContact O-N 3.45Å; E1354-Q1357 PolarHBondContact O-N 3.26Å; E1354-A1358 VanDerWaalsContact O-CB 3.31Å; E1354-A1358 WeakPolarHBondContact O-CB 3.49Å; E1354-A1358 PolarHBondContact O-N 3.02Å
1355K73.8Confident70.6Confident164 Ų16491.7 Ų91.771%0.71347%0.474SS*.Hα-helixtrans-60.3-42.5172.9-90.7-174174.8179.50113.1T1353 A1358 D1359T1353-K1355 PolarHBondContact O-N 2.7Å; T1353-K1355 VanDerWaalsContact O-N 3.13Å; K1355-A1358 PolarHBondContact O-N 3.26Å; K1355-D1359 WeakPolarHBondContact O-CB 3.38Å; K1355-D1359 PolarHBondContact O-N 2.98Å
1356A72.4Confident69Low1 Ų188.4 Ų88.41%0.00846%0.46CS..Hα-helixtrans-70-36.6178.600000111.8N1347 I1350 T1353 E1354 D1359 M1360N1347-A1356 HydrophobicContact CB-CB 4.19Å; N1347-A1356 VanDerWaalsContact ND2-CA 3.3Å; N1347-A1356 WeakPolarHBondContact ND2-CA 3.47Å; N1347-A1356 WeakPolarHBondContact ND2-CB 3.33Å; I1350-A1356 WeakPolarHBondContact O-CB 3.47Å; T1353-A1356 WeakPolarHBondContact O-CA 3.41Å; T1353-A1356 WeakPolarHBondContact O-CB 3.45Å; T1353-A1356 PolarHBondContact O-N 2.81Å; T1353-A1356 WeakPolarHBondContact OG1-CB 3.28Å; T1353-A1356 PolarHBondContact OG1-N 2.84Å; E1354-A1356 PolarHBondContact O-N 3.45Å; A1356-D1359 PolarHBondContact O-N 3.17Å; A1356-M1360 WeakPolarHBondContact O-CB 3.44Å; A1356-M1360 PolarHBondContact O-N 3Å
1357Q71.5Confident67.5Low120 Ų12086.1 Ų86.156%0.56145%0.453SS*.Hα-helixtrans-66-41.1171-79.8-177.5-37.400112.2T1353 E1354 M1360 L1361T1353-Q1357 PolarHBondContact O-N 3.35Å; E1354-Q1357 PolarHBondContact O-N 3.26Å; Q1357-M1360 PolarHBondContact O-N 3.5Å; Q1357-L1361 WeakPolarHBondContact O-CB 3.5Å; Q1357-L1361 PolarHBondContact O-N 3.44Å
1358A71Confident66.2Low52 Ų5286.3 Ų86.343%0.4346%0.457SS..Hα-helixtrans-64.8-41.717500000111.7E1354 K1355 M1360 L1361 M1362E1354-A1358 VanDerWaalsContact O-CB 3.31Å; E1354-A1358 WeakPolarHBondContact O-CB 3.49Å; E1354-A1358 PolarHBondContact O-N 3.02Å; K1355-A1358 PolarHBondContact O-N 3.26Å; A1358-M1360 VanDerWaalsContact C-N 3.33Å; A1358-L1361 PolarHBondContact O-N 2.87Å; A1358-M1362 VanDerWaalsContact O-CB 3.28Å; A1358-M1362 WeakPolarHBondContact O-CB 3.35Å; A1358-M1362 VanDerWaalsContact O-CG 3.22Å; A1358-M1362 WeakPolarHBondContact O-CG 3.36Å; A1358-M1362 PolarHBondContact O-N 2.81Å
1359D71.9Confident64.7Low46 Ų4685.8 Ų85.825%0.24645%0.452CS..Hα-helixtrans-65.5-37.1174.4-83-22.9000111.9V1343 N1347 K1355 A1356 M1362 E1363V1343-D1359 HydrophobicContact CG1-CB 4.25Å; N1347-D1359 PolarHBondContact ND2-OD2 2.87Å; K1355-D1359 WeakPolarHBondContact O-CB 3.38Å; K1355-D1359 PolarHBondContact O-N 2.98Å; A1356-D1359 PolarHBondContact O-N 3.17Å; D1359-M1362 PolarHBondContact O-N 3.33Å; D1359-E1363 PolarHBondContact O-N 2.65Å
1360M70.2Confident63Low53 Ų5384.6 Ų84.626%0.26144%0.438SS..Hα-helixtrans-70-42.7178.2-164.5170.2160.700111.3T1340 V1343 A1356 Q1357 A1358 M1362 E1363 E1364T1340-M1360 HydrophobicContact CG2-CE 3.25Å; T1340-M1360 HydrophobicContact CG2-SD 3.99Å; V1343-M1360 HydrophobicContact CG1-CB 4.26Å; V1343-M1360 HydrophobicContact CG2-CB 4.33Å; V1343-M1360 HydrophobicContact CG2-CG 4.49Å; A1356-M1360 WeakPolarHBondContact O-CB 3.44Å; A1356-M1360 PolarHBondContact O-N 3Å; Q1357-M1360 PolarHBondContact O-N 3.5Å; A1358-M1360 VanDerWaalsContact C-N 3.33Å; M1360-M1362 VanDerWaalsContact C-N 3.33Å; M1360-E1363 PolarHBondContact O-N 3.43Å; M1360-E1364 WeakPolarHBondContact O-CB 3.22Å; M1360-E1364 PolarHBondContact O-N 3.21Å
1361L66.1Low61.7Low98 Ų9880.7 Ų80.751%0.51342%0.421SS..Hα-helixtrans-63.9-38.4170.3-84.9164.5000111.6Q1357 A1358 N1365Q1357-L1361 WeakPolarHBondContact O-CB 3.5Å; Q1357-L1361 PolarHBondContact O-N 3.44Å; A1358-L1361 PolarHBondContact O-N 2.87Å; L1361-N1365 WeakPolarHBondContact O-CA 3.39Å; L1361-N1365 WeakPolarHBondContact O-CB 3.49Å; L1361-N1365 PolarHBondContact O-N 3.39Å; L1361-N1365 PolarHBondContact O-ND2 3.31Å
1362M62.8Low60.4Low125 Ų12581 Ų8162%0.61642%0.419SS*.Hα-helixtrans-63.7-50.4174.5-81.5-93.7-97.600110.6A1358 D1359 M1360 E1364 N1365 V1366A1358-M1362 VanDerWaalsContact O-CB 3.28Å; A1358-M1362 WeakPolarHBondContact O-CB 3.35Å; A1358-M1362 VanDerWaalsContact O-CG 3.22Å; A1358-M1362 WeakPolarHBondContact O-CG 3.36Å; A1358-M1362 PolarHBondContact O-N 2.81Å; D1359-M1362 PolarHBondContact O-N 3.33Å; M1360-M1362 VanDerWaalsContact C-N 3.33Å; M1362-E1364 PolarHBondContact O-N 3.46Å; M1362-N1365 CarbonylContact O-C 3.32Å; M1362-N1365 PolarHBondContact O-N 3.31Å; M1362-V1366 WeakPolarHBondContact O-CB 3.46Å; M1362-V1366 WeakPolarHBondContact O-CG2 3.29Å; M1362-V1366 PolarHBondContact O-N 3.39Å
1363E66.6Low58.8Low31 Ų3181.9 Ų81.915%0.14541%0.411CS..Hα-helixtrans-65.7-37.6179.4-71.4-135.8168.100112.7I1339 K1342 V1343 D1359 M1360I1339-E1363 HydrophobicContact CG2-CB 3.96Å; K1342-E1363 VanDerWaalsContact CD-OE2 3.31Å; K1342-E1363 WeakPolarHBondContact CD-OE2 3.2Å; K1342-E1363 VanDerWaalsContact CE-OE1 3.26Å; K1342-E1363 WeakPolarHBondContact CE-OE1 3.48Å; K1342-E1363 WeakPolarHBondContact CE-OE2 3.32Å; K1342-E1363 IonicContact NZ-OE1 3.62Å; K1342-E1363 PolarHBondContact NZ-OE1 3.25Å; K1342-E1363 IonicContact NZ-OE2 2.72Å; K1342-E1363 PolarHBondContact NZ-OE2 3.05Å; V1343-E1363 HydrophobicContact CG2-CB 4.45Å; V1343-E1363 HydrophobicContact CG2-CG 4.27Å; D1359-E1363 PolarHBondContact O-N 2.65Å; M1360-E1363 PolarHBondContact O-N 3.43Å
1364E61.1Low57.3Low62 Ų6280.6 Ų80.629%0.2940%0.404SS..Hα-helixtrans-67.6-37.1172.8-77.3-167.1153.200112.3K1336 I1339 M1360 M1362K1336-E1364 IonicContact NZ-OE1 2.93Å; K1336-E1364 PolarHBondContact NZ-OE1 3.27Å; K1336-E1364 IonicContact NZ-OE2 3.98Å; I1339-E1364 HydrophobicContact CG2-CG 4.46Å; M1360-E1364 WeakPolarHBondContact O-CB 3.22Å; M1360-E1364 PolarHBondContact O-N 3.21Å; M1362-E1364 PolarHBondContact O-N 3.46Å
1365N52.4Low55.8Low69 Ų6976.1 Ų76.137%0.36939%0.391SS..Hα-helixtrans-80.4-22.6179-73.5-33.3000113.2L1361 M1362 D1367 S1368 Y1369L1361-N1365 WeakPolarHBondContact O-CA 3.39Å; L1361-N1365 WeakPolarHBondContact O-CB 3.49Å; L1361-N1365 PolarHBondContact O-N 3.39Å; L1361-N1365 PolarHBondContact O-ND2 3.31Å; M1362-N1365 CarbonylContact O-C 3.32Å; M1362-N1365 PolarHBondContact O-N 3.31Å; N1365-D1367 PolarHBondContact O-N 3.4Å; N1365-S1368 VanDerWaalsContact CA-OG 3.26Å; N1365-S1368 WeakPolarHBondContact CA-OG 3.47Å; N1365-S1368 CarbonylContact O-C 3.6Å; N1365-S1368 WeakPolarHBondContact O-CA 3.27Å; N1365-S1368 PolarHBondContact O-N 3.46Å; N1365-S1368 PolarHBondContact O-OG 3.35Å; N1365-S1368 PolarHBondContact OD1-OG 2.99Å; N1365-Y1369 HydrophobicContact CB-CD2 4.13Å; N1365-Y1369 WeakPolarHBondContact O-CB 3.27Å; N1365-Y1369 PolarHBondContact O-N 3.17Å
1366V47.7Very low54.2Low60 Ų6070.7 Ų70.736%0.36437%0.371SS..Hα-helixtrans-61.4-33175.7167.70000109.4M1362 N1370M1362-V1366 WeakPolarHBondContact O-CB 3.46Å; M1362-V1366 WeakPolarHBondContact O-CG2 3.29Å; M1362-V1366 PolarHBondContact O-N 3.39Å; V1366-N1370 WeakPolarHBondContact CG1-ND2 3.37Å; V1366-N1370 WeakPolarHBondContact O-CB 3.43Å; V1366-N1370 VanDerWaalsContact O-CG 3.25Å; V1366-N1370 PolarHBondContact O-N 3.03Å
1367D48.1Very low52.3Low79 Ų7981.1 Ų81.142%0.42241%0.41SS..Hα-helixtrans-73.8-25.4173-70.8-10.7000113.2N1365N1365-D1367 PolarHBondContact O-N 3.4Å
1368S47.5Very low50.6Low39 Ų3980.9 Ų80.927%0.27342%0.417SS..Hα-helixtrans-90-29.9178.5700000113.3N1365N1365-S1368 VanDerWaalsContact CA-OG 3.26Å; N1365-S1368 WeakPolarHBondContact CA-OG 3.47Å; N1365-S1368 CarbonylContact O-C 3.6Å; N1365-S1368 WeakPolarHBondContact O-CA 3.27Å; N1365-S1368 PolarHBondContact O-N 3.46Å; N1365-S1368 PolarHBondContact O-OG 3.35Å; N1365-S1368 PolarHBondContact OD1-OG 2.99Å
1369Y41.7Very low48.7Very low172 Ų17284.9 Ų84.968%0.67543%0.426SS*.Hα-helixtrans-92-39.4-179.2-92.1-91.7000112.9N1365 A1371 F1372N1365-Y1369 HydrophobicContact CB-CD2 4.13Å; N1365-Y1369 WeakPolarHBondContact O-CB 3.27Å; N1365-Y1369 PolarHBondContact O-N 3.17Å; Y1369-A1371 PolarHBondContact O-N 2.73Å; Y1369-F1372 WeakPolarHBondContact O-CB 3.31Å; Y1369-F1372 PolarHBondContact O-N 3.08Å
1370N39Very low46.9Very low78 Ų7892.4 Ų92.442%0.41746%0.46SS..Hα-helixtrans-66.4-24178-72.3-6.7000112.1V1366 F1372 E1373 S1374V1366-N1370 WeakPolarHBondContact CG1-ND2 3.37Å; V1366-N1370 WeakPolarHBondContact O-CB 3.43Å; V1366-N1370 VanDerWaalsContact O-CG 3.25Å; V1366-N1370 PolarHBondContact O-N 3.03Å; N1370-F1372 PolarHBondContact O-N 2.95Å; N1370-F1372 VanDerWaalsContact O-N 3.14Å; N1370-E1373 PolarHBondContact O-N 3.09Å; N1370-E1373 VanDerWaalsContact O-N 3.09Å; N1370-S1374 WeakPolarHBondContact O-CB 3.3Å; N1370-S1374 PolarHBondContact O-N 3.38Å; N1370-S1374 PolarHBondContact O-OG 3.07Å; N1370-S1374 VanDerWaalsContact O-OG 3.07Å
1371A44.2Very low45.6Very low17 Ų1795.2 Ų95.214%0.1447%0.472CS..Hα-helixtrans-58.9-22.9172.400000112.6Y1369Y1369-A1371 PolarHBondContact O-N 2.73Å
1372F40.6Very low44.8Very low81 Ų8199.5 Ų99.536%0.35549%0.487SS..Hα-helixtrans-85.7-35.8174.5-140.6-93.5000112.6K972 Y1369 N1370 V1376K972-F1372 HydrophobicContact CG-CZ 4.29Å; Y1369-F1372 WeakPolarHBondContact O-CB 3.31Å; Y1369-F1372 PolarHBondContact O-N 3.08Å; N1370-F1372 PolarHBondContact O-N 2.95Å; N1370-F1372 VanDerWaalsContact O-N 3.14Å; F1372-V1376 WeakPolarHBondContact O-CG2 3.08Å
1373E39.2Very low44.4Very low145 Ų14597 Ų9768%0.67849%0.487SS*.Hα-helixtrans-82.5-36.7-178.8-82-170.4156.500114N1370 C1375 V1376N1370-E1373 PolarHBondContact O-N 3.09Å; N1370-E1373 VanDerWaalsContact O-N 3.09Å; E1373-C1375 PolarHBondContact O-N 3.1Å; E1373-V1376 PolarHBondContact O-N 2.65Å
1374S40.9Very low44.5Very low32 Ų3299.6 Ų99.622%0.22450%0.5CS..G310 helixtrans-69.9-36.4-174.163.80000112.7E1045 N1370 V1376E1045-S1374 PolarHBondContact OE1-OG 2.76Å; E1045-S1374 PolarHBondContact OE2-OG 2.96Å; E1045-S1374 VanDerWaalsContact OE2-OG 3.11Å; N1370-S1374 WeakPolarHBondContact O-CB 3.3Å; N1370-S1374 PolarHBondContact O-N 3.38Å; N1370-S1374 PolarHBondContact O-OG 3.07Å; N1370-S1374 VanDerWaalsContact O-OG 3.07Å; S1374-V1376 PolarHBondContact O-N 3.01Å
1375C42.5Very low45.3Very low75 Ų7599.7 Ų99.751%0.50750%0.502SS..G310 helixtrans-72-12.3177.1-123.10000112.7E1373E1373-C1375 PolarHBondContact O-N 3.1Å
1376V40.5Very low46.7Very low50 Ų5096.5 Ų96.530%0.30349%0.485SS..G310 helixtrans-115.824.8-174.3-169.60000112F1372 E1373 S1374 V1378F1372-V1376 WeakPolarHBondContact O-CG2 3.08Å; E1373-V1376 PolarHBondContact O-N 2.65Å; S1374-V1376 PolarHBondContact O-N 3.01Å; V1376-V1378 CarbonylContact O-C 3.57Å; V1376-V1378 PolarHBondContact O-N 3.34Å
1377R32Very low48.2Very low219 Ų21995 Ų9583%0.82648%0.475SS*.  trans-66.422.4167.8-70.7-160.5-164.3174.95.9115.2
1378V35.9Very low49.7Very low115 Ų11596.9 Ų96.970%0.69749%0.485SS*.SBendtrans-108.699.3158.5-172.10000105.9V1376V1376-V1378 CarbonylContact O-C 3.57Å; V1376-V1378 PolarHBondContact O-N 3.34Å
1379H32.2Very low51.1Low136 Ų13696.8 Ų96.863%0.6348%0.483SS*.  trans78.3114.6179.4-60.6-67.8000116.9E1381H1379-E1381 HydrophobicContact CB-CG 4.04Å; H1379-E1381 PolarHBondContact O-N 3.36Å
1380E32.8Very low52.9Low204 Ų20489.1 Ų89.195%0.95345%0.453SS*.  trans-6156.7162-67.1174.8138.500111.4K1382E1380-K1382 VanDerWaalsContact C-N 3.31Å; E1380-K1382 PolarHBondContact O-N 3.43Å
1381E44Very low55Low112 Ų11290.3 Ų90.352%0.52346%0.459SS..  trans-72.793.8172-75.6179.4176.900107.4H1379 A1383H1379-E1381 HydrophobicContact CB-CG 4.04Å; H1379-E1381 PolarHBondContact O-N 3.36Å; E1381-A1383 PolarHBondContact O-N 3.15Å; E1381-A1383 VanDerWaalsContact O-N 3.16Å
1382K49.8Very low57Low188 Ų18890 Ų9082%0.81746%0.455SS*.  trans-26.9121.9159.8-84.2178.9174.4176.90108.2E1380 M1384E1380-K1382 VanDerWaalsContact C-N 3.31Å; E1380-K1382 PolarHBondContact O-N 3.43Å; K1382-M1384 VanDerWaalsContact C-N 3.3Å; K1382-M1384 WeakPolarHBondContact O-CA 3.27Å; K1382-M1384 WeakPolarHBondContact O-CG 3.49Å; K1382-M1384 PolarHBondContact O-N 3.2Å
1383A54.8Low59.1Low74 Ų7493.9 Ų93.961%0.61247%0.471SS*.  trans-38.296.5179.900000110.2E1381 N1385E1381-A1383 PolarHBondContact O-N 3.15Å; E1381-A1383 VanDerWaalsContact O-N 3.16Å; A1383-N1385 PolarHBondContact O-N 2.76Å
1384M67.2Low61.3Low85 Ų8590.3 Ų90.342%0.41946%0.455SS..  trans-80.4126.4-170-71-169.3145.500106.4H974 K1382 V1389H974-M1384 PolarHBondContact N-O 2.94Å; H974-M1384 VanDerWaalsContact N-O 3.09Å; K1382-M1384 VanDerWaalsContact C-N 3.3Å; K1382-M1384 WeakPolarHBondContact O-CA 3.27Å; K1382-M1384 WeakPolarHBondContact O-CG 3.49Å; K1382-M1384 PolarHBondContact O-N 3.2Å; M1384-V1389 HydrophobicContact CB-CG2 3.35Å; M1384-V1389 HydrophobicContact CG-CG2 4.35Å; M1384-V1389 HydrophobicContact SD-CG2 4.16Å
1385N78.6Confident63.5Low64 Ų6488.8 Ų88.834%0.34244%0.444SS..BIsolated β-bridgetrans-62.5142.8169.3-73.2-37.2000108H974 A1383 D1387 D1388 V1389H974-N1385 WeakPolarHBondContact O-CA 3.42Å; A1383-N1385 PolarHBondContact O-N 2.76Å; N1385-D1387 HydrophobicContact CB-CB 4.47Å; N1385-D1387 PolarHBondContact O-N 3.33Å; N1385-D1388 PolarHBondContact O-N 2.81Å; N1385-V1389 WeakPolarHBondContact O-CG2 3.23Å; N1385-V1389 PolarHBondContact O-N 2.83Å
1386I80.9Confident65.4Low1 Ų185.7 Ų85.71%0.00542%0.423CS..Hα-helixtrans-54.2-28.9178.3-166159.5000112.2A917 D920 I970 A973 H974 F981 D1388 W1392A917-I1386 HydrophobicContact CB-CG2 3.66Å; D920-I1386 HydrophobicContact CB-CG2 4.43Å; I970-I1386 HydrophobicContact CG2-CD1 4.21Å; A973-I1386 HydrophobicContact CB-CB 3.87Å; A973-I1386 HydrophobicContact CB-CD1 4.45Å; A973-I1386 HydrophobicContact CB-CG1 4.04Å; H974-I1386 PolarHBondContact O-N 2.84Å; F981-I1386 HydrophobicContact CB-CD1 3.99Å; F981-I1386 HydrophobicContact CD1-CD1 3.89Å; F981-I1386 HydrophobicContact CD2-CD1 3.56Å; F981-I1386 HydrophobicContact CE1-CD1 4.3Å; F981-I1386 HydrophobicContact CE2-CD1 4.02Å; F981-I1386 HydrophobicContact CG-CD1 3.52Å; F981-I1386 HydrophobicContact CZ-CD1 4.37Å; I1386-D1388 VanDerWaalsContact C-N 3.27Å; I1386-D1388 PolarHBondContact O-N 3.38Å; I1386-W1392 HydrophobicContact CD1-CZ2 4.39Å; I1386-W1392 HydrophobicContact CG1-CZ2 3.82Å; I1386-W1392 PolarHBondContact O-NE1 2.87Å
1387D79.8Confident67.6Low30 Ų3088.3 Ų88.316%0.1643%0.432CS..Hα-helixtrans-57.4-34.5173.6-64.8-11.9000113.1Y884 P916 A917 K976 N1385Y884-D1387 PolarHBondContact OH-OD1 3.08Å; Y884-D1387 PolarHBondContact OH-OD2 3.13Å; P916-D1387 HydrophobicContact CB-CB 4.48Å; A917-D1387 WeakPolarHBondContact CB-OD1 3.41Å; K976-D1387 WeakPolarHBondContact CE-OD2 3.08Å; K976-D1387 IonicContact NZ-OD2 3.21Å; N1385-D1387 HydrophobicContact CB-CB 4.47Å; N1385-D1387 PolarHBondContact O-N 3.33Å
1388D79.6Confident70.2Confident118 Ų11879.9 Ų79.963%0.63140%0.403SS*.Hα-helixtrans-102.5-17.3-169.4-61.3-36.9000113.8N1385 I1386N1385-D1388 PolarHBondContact O-N 2.81Å; I1386-D1388 VanDerWaalsContact C-N 3.27Å; I1386-D1388 PolarHBondContact O-N 3.38Å
1389V76.5Confident72.5Confident36 Ų3674.7 Ų74.722%0.21837%0.371CS..Hα-helixtrans-71.7-36.2-173.7-179.80000112.1L969 A973 M1384 N1385L969-V1389 HydrophobicContact CB-CG1 3.9Å; A973-V1389 HydrophobicContact CB-CG2 3.87Å; M1384-V1389 HydrophobicContact CB-CG2 3.35Å; M1384-V1389 HydrophobicContact CG-CG2 4.35Å; M1384-V1389 HydrophobicContact SD-CG2 4.16Å; N1385-V1389 WeakPolarHBondContact O-CG2 3.23Å; N1385-V1389 PolarHBondContact O-N 2.83Å
1390I80.1Confident74.9Confident11 Ų1171.6 Ų71.66%0.05636%0.356CS..SBendtrans-126.9143.3-173.7-71179.6000109.7A961 H965 I970 W1392 V1395A961-I1390 HydrophobicContact CB-CD1 4.31Å; H965-I1390 HydrophobicContact CB-CD1 4.12Å; I970-I1390 HydrophobicContact CD1-CD1 3.29Å; I970-I1390 HydrophobicContact CG1-CD1 3.35Å; I1390-W1392 HydrophobicContact CB-CD2 4.29Å; I1390-W1392 HydrophobicContact CB-CZ2 4.27Å; I1390-W1392 HydrophobicContact CD1-CH2 4.31Å; I1390-W1392 HydrophobicContact CD1-CZ2 4.36Å; I1390-W1392 HydrophobicContact CG2-CD2 4.11Å; I1390-W1392 HydrophobicContact CG2-CE3 4.25Å; I1390-W1392 HydrophobicContact CG2-CG 4.47Å; I1390-W1392 VanDerWaalsContact O-CD1 3.31Å; I1390-W1392 PolarHBondContact O-N 2.91Å; I1390-V1395 HydrophobicContact CG2-CG2 3.7Å
1391N83.8Confident77.3Confident103 Ų10368.2 Ų68.255%0.55134%0.338SS*.  trans-72.382.3165.3-171-2.5000110.1K1393 H1394 V1395N1391-K1393 PolarHBondContact O-N 3.37Å; N1391-K1393 VanDerWaalsContact O-N 3.12Å; N1391-K1393 WeakPolarHBondContact OD1-CB 3.42Å; N1391-K1393 PolarHBondContact OD1-N 3.36Å; N1391-H1394 HydrophobicContact CB-CB 4.34Å; N1391-H1394 WeakPolarHBondContact O-CB 3.42Å; N1391-H1394 PolarHBondContact O-N 2.94Å; N1391-V1395 PolarHBondContact O-N 3.32Å
1392W85.3Confident78.8Confident12 Ų1271.2 Ų71.25%0.04535%0.345CS..Hα-helixtrans-59.9-23.8-178.4-68.7110.3000112.9P918 V919 A961 I970 I1386 I1390 H1394 V1395 T1396P918-W1392 HydrophobicContact CG-CB 4.31Å; V919-W1392 HydrophobicContact CB-CH2 4.24Å; V919-W1392 HydrophobicContact CB-CZ3 4.46Å; V919-W1392 HydrophobicContact CG2-CE3 4.36Å; V919-W1392 HydrophobicContact CG2-CH2 3.55Å; V919-W1392 HydrophobicContact CG2-CZ3 3.39Å; A961-W1392 HydrophobicContact CB-CH2 4.44Å; A961-W1392 HydrophobicContact CB-CZ3 4.08Å; I970-W1392 HydrophobicContact CG2-CH2 4.04Å; I970-W1392 HydrophobicContact CG2-CZ2 4.32Å; I1386-W1392 HydrophobicContact CD1-CZ2 4.39Å; I1386-W1392 HydrophobicContact CG1-CZ2 3.82Å; I1386-W1392 PolarHBondContact O-NE1 2.87Å; I1390-W1392 HydrophobicContact CB-CD2 4.29Å; I1390-W1392 HydrophobicContact CB-CZ2 4.27Å; I1390-W1392 HydrophobicContact CD1-CH2 4.31Å; I1390-W1392 HydrophobicContact CD1-CZ2 4.36Å; I1390-W1392 HydrophobicContact CG2-CD2 4.11Å; I1390-W1392 HydrophobicContact CG2-CE3 4.25Å; I1390-W1392 HydrophobicContact CG2-CG 4.47Å; I1390-W1392 VanDerWaalsContact O-CD1 3.31Å; I1390-W1392 PolarHBondContact O-N 2.91Å; W1392-H1394 VanDerWaalsContact C-N 3.33Å; W1392-V1395 HydrophobicContact CE3-CB 4.32Å; W1392-V1395 HydrophobicContact CE3-CG1 4.4Å; W1392-V1395 HydrophobicContact CE3-CG2 4.47Å; W1392-V1395 HydrophobicContact CZ3-CG1 4.49Å; W1392-V1395 PolarHBondContact O-N 3.37Å; W1392-T1396 WeakPolarHBondContact O-CB 2.99Å; W1392-T1396 VanDerWaalsContact O-CG2 3.25Å; W1392-T1396 WeakPolarHBondContact O-CG2 3.35Å; W1392-T1396 PolarHBondContact O-N 3.33Å; W1392-T1396 PolarHBondContact O-OG1 2.91Å
1393K84.4Confident80Confident161 Ų16166.2 Ų66.270%0.733%0.327SS*.Hα-helixtrans-62.9-40.5172-64.3-173.1177.5-179.50111.9N1391 T1396 E1397N1391-K1393 PolarHBondContact O-N 3.37Å; N1391-K1393 VanDerWaalsContact O-N 3.12Å; N1391-K1393 WeakPolarHBondContact OD1-CB 3.42Å; N1391-K1393 PolarHBondContact OD1-N 3.36Å; K1393-T1396 WeakPolarHBondContact CA-OG1 3.44Å; K1393-T1396 PolarHBondContact O-N 3.06Å; K1393-T1396 PolarHBondContact O-OG1 3.02Å; K1393-E1397 WeakPolarHBondContact O-CG 3.15Å; K1393-E1397 PolarHBondContact O-N 3.42Å
1394H86.2Confident80.2Confident70 Ų7065.5 Ų65.532%0.32433%0.327SS..Hα-helixtrans-67.9-43.3177.6-173.257.4000111.6N1391 W1392 T1396 E1397 L1398N1391-H1394 HydrophobicContact CB-CB 4.34Å; N1391-H1394 WeakPolarHBondContact O-CB 3.42Å; N1391-H1394 PolarHBondContact O-N 2.94Å; W1392-H1394 VanDerWaalsContact C-N 3.33Å; H1394-T1396 VanDerWaalsContact C-N 3.33Å; H1394-T1396 PolarHBondContact O-N 3.33Å; H1394-E1397 WeakPolarHBondContact O-CB 3.36Å; H1394-E1397 PolarHBondContact O-N 3.4Å; H1394-L1398 WeakPolarHBondContact O-CG 3.32Å; H1394-L1398 PolarHBondContact O-N 3.41Å
1395V86.1Confident79.6Confident0 Ų065.5 Ų65.50%033%0.332CS..Hα-helixtrans-61.9-41.3176.6178.60000111.2L957 I960 A961 I1390 N1391 W1392 L1398 Y1399L957-V1395 HydrophobicContact CD2-CG1 4.27Å; I960-V1395 HydrophobicContact CB-CG1 4.3Å; I960-V1395 HydrophobicContact CG2-CG1 3.98Å; A961-V1395 HydrophobicContact CB-CG1 4.16Å; A961-V1395 HydrophobicContact CB-CG2 4.29Å; I1390-V1395 HydrophobicContact CG2-CG2 3.7Å; N1391-V1395 PolarHBondContact O-N 3.32Å; W1392-V1395 HydrophobicContact CE3-CB 4.32Å; W1392-V1395 HydrophobicContact CE3-CG1 4.4Å; W1392-V1395 HydrophobicContact CE3-CG2 4.47Å; W1392-V1395 HydrophobicContact CZ3-CG1 4.49Å; W1392-V1395 PolarHBondContact O-N 3.37Å; V1395-L1398 PolarHBondContact O-N 3.04Å; V1395-Y1399 WeakPolarHBondContact O-CB 3.15Å; V1395-Y1399 PolarHBondContact O-N 3.07Å
1396T84Confident77.5Confident11 Ų1168.1 Ų68.17%0.06735%0.35CS..Hα-helixtrans-70.7-32.3177.755.30000112.6L913 P918 W1392 K1393 H1394 Y1399 K1400L913-T1396 HydrophobicContact CD2-CG2 3.92Å; P918-T1396 HydrophobicContact CB-CG2 4.39Å; P918-T1396 HydrophobicContact CG-CG2 3.76Å; W1392-T1396 WeakPolarHBondContact O-CB 2.99Å; W1392-T1396 VanDerWaalsContact O-CG2 3.25Å; W1392-T1396 WeakPolarHBondContact O-CG2 3.35Å; W1392-T1396 PolarHBondContact O-N 3.33Å; W1392-T1396 PolarHBondContact O-OG1 2.91Å; K1393-T1396 WeakPolarHBondContact CA-OG1 3.44Å; K1393-T1396 PolarHBondContact O-N 3.06Å; K1393-T1396 PolarHBondContact O-OG1 3.02Å; H1394-T1396 VanDerWaalsContact C-N 3.33Å; H1394-T1396 PolarHBondContact O-N 3.33Å; T1396-Y1399 PolarHBondContact O-N 3.37Å; T1396-K1400 WeakPolarHBondContact O-CB 3.27Å; T1396-K1400 VanDerWaalsContact O-CG 3.27Å; T1396-K1400 WeakPolarHBondContact O-CG 3.49Å; T1396-K1400 PolarHBondContact O-N 3.44Å
1397E86.1Confident75.5Confident104 Ų10472 Ų7249%0.48638%0.375SS..Hα-helixtrans-64.2-43.6169.8-78.9175.6-169.800112.3K1393 H1394 Y1399 K1400 K1401K1393-E1397 WeakPolarHBondContact O-CG 3.15Å; K1393-E1397 PolarHBondContact O-N 3.42Å; H1394-E1397 WeakPolarHBondContact O-CB 3.36Å; H1394-E1397 PolarHBondContact O-N 3.4Å; E1397-Y1399 VanDerWaalsContact C-N 3.33Å; E1397-K1400 PolarHBondContact O-N 3.28Å; E1397-K1401 WeakPolarHBondContact O-CG 3.5Å; E1397-K1401 PolarHBondContact O-N 2.95Å
1398L85.6Confident73.3Confident43 Ų4378.9 Ų78.923%0.22541%0.406CS..Hα-helixtrans-63.6-40.3175-70.4176.9000111.6I960 E964 H1394 V1395 K1401 Y1402I960-L1398 HydrophobicContact CG2-CB 3.94Å; I960-L1398 HydrophobicContact CG2-CD1 4.17Å; E964-L1398 HydrophobicContact CG-CD1 3.77Å; H1394-L1398 WeakPolarHBondContact O-CG 3.32Å; H1394-L1398 PolarHBondContact O-N 3.41Å; V1395-L1398 PolarHBondContact O-N 3.04Å; L1398-K1401 WeakPolarHBondContact O-CB 3.16Å; L1398-K1401 PolarHBondContact O-N 3.03Å; L1398-Y1402 WeakPolarHBondContact O-CB 3.37Å; L1398-Y1402 PolarHBondContact O-N 3.39Å
1399Y85.4Confident70.9Confident6 Ų681.3 Ų81.32%0.02444%0.443CS..Hα-helixtrans-63.1-43.1174.3-179.6-109.4000112.3L913 E956 L957 I960 V1395 T1396 E1397 K1401 Y1402 L1403L913-Y1399 HydrophobicContact CD1-CD1 4.23Å; L913-Y1399 HydrophobicContact CD1-CE1 4.23Å; L913-Y1399 HydrophobicContact CD2-CD1 3.61Å; L913-Y1399 HydrophobicContact CD2-CE1 3.9Å; E956-Y1399 HydrophobicContact CB-CD2 4.4Å; E956-Y1399 HydrophobicContact CB-CE2 3.85Å; E956-Y1399 VanDerWaalsContact OE2-CE2 3.22Å; E956-Y1399 WeakPolarHBondContact OE2-CE2 3.31Å; E956-Y1399 PolarHBondContact OE2-OH 2.9Å; L957-Y1399 HydrophobicContact CD2-CD1 4.17Å; L957-Y1399 HydrophobicContact CD2-CD2 4.23Å; L957-Y1399 HydrophobicContact CD2-CG 3.82Å; I960-Y1399 HydrophobicContact CD1-CD2 3.67Å; I960-Y1399 HydrophobicContact CD1-CG 4.23Å; V1395-Y1399 WeakPolarHBondContact O-CB 3.15Å; V1395-Y1399 PolarHBondContact O-N 3.07Å; T1396-Y1399 PolarHBondContact O-N 3.37Å; E1397-Y1399 VanDerWaalsContact C-N 3.33Å; Y1399-K1401 VanDerWaalsContact C-N 3.32Å; Y1399-K1401 PolarHBondContact O-N 3.28Å; Y1399-Y1402 WeakPolarHBondContact O-CB 3.42Å; Y1399-Y1402 PolarHBondContact O-N 2.84Å; Y1399-Y1402 VanDerWaalsContact O-N 3.16Å; Y1399-L1403 HydrophobicContact CD1-CD1 3.93Å; Y1399-L1403 HydrophobicContact CE1-CD1 3.38Å; Y1399-L1403 HydrophobicContact CE1-CG 4.36Å; Y1399-L1403 HydrophobicContact CE2-CD1 4.26Å; Y1399-L1403 HydrophobicContact CE2-CG 4.43Å; Y1399-L1403 PolarHBondContact O-N 3.25Å
1400K82.5Confident70.6Confident71 Ų7183.6 Ų83.631%0.30945%0.454SS..Hα-helixtrans-60.9-40.7173.6-74.5172.1-177.6177.50111.7T1396 E1397 L1403 G1404 V1405T1396-K1400 WeakPolarHBondContact O-CB 3.27Å; T1396-K1400 VanDerWaalsContact O-CG 3.27Å; T1396-K1400 WeakPolarHBondContact O-CG 3.49Å; T1396-K1400 PolarHBondContact O-N 3.44Å; E1397-K1400 PolarHBondContact O-N 3.28Å; K1400-L1403 PolarHBondContact O-N 2.81Å; K1400-G1404 PolarHBondContact O-N 3.47Å; K1400-V1405 PolarHBondContact O-N 3.18Å
1401K82.1Confident70.1Confident132 Ų13287.4 Ų87.457%0.57448%0.475SS*.Hα-helixtrans-63.1-41.4172.5-74.8177.6-177.6174.20112.2E1397 L1398 Y1399 L1403 G1404E1397-K1401 WeakPolarHBondContact O-CG 3.5Å; E1397-K1401 PolarHBondContact O-N 2.95Å; L1398-K1401 WeakPolarHBondContact O-CB 3.16Å; L1398-K1401 PolarHBondContact O-N 3.03Å; Y1399-K1401 VanDerWaalsContact C-N 3.32Å; Y1399-K1401 PolarHBondContact O-N 3.28Å; K1401-L1403 VanDerWaalsContact C-N 3.31Å; K1401-L1403 PolarHBondContact O-N 3.32Å; K1401-G1404 PolarHBondContact O-N 3.41Å
1402Y77.1Confident69.3Low175 Ų17586.6 Ų86.669%0.68647%0.471SS*.Hα-helixtrans-62.3-38.6177.6-177-98.5000112L1398 Y1399 G1404L1398-Y1402 WeakPolarHBondContact O-CB 3.37Å; L1398-Y1402 PolarHBondContact O-N 3.39Å; Y1399-Y1402 WeakPolarHBondContact O-CB 3.42Å; Y1399-Y1402 PolarHBondContact O-N 2.84Å; Y1399-Y1402 VanDerWaalsContact O-N 3.16Å; Y1402-G1404 PolarHBondContact O-N 2.84Å
1403L73.7Confident68.4Low83 Ų8390.9 Ų90.944%0.43550%0.496SS..THydrogen-bonded Turntrans-71.3-3.2173.5-74.3167.5000114Y1399 K1400 K1401 V1405Y1399-L1403 HydrophobicContact CD1-CD1 3.93Å; Y1399-L1403 HydrophobicContact CE1-CD1 3.38Å; Y1399-L1403 HydrophobicContact CE1-CG 4.36Å; Y1399-L1403 HydrophobicContact CE2-CD1 4.26Å; Y1399-L1403 HydrophobicContact CE2-CG 4.43Å; Y1399-L1403 PolarHBondContact O-N 3.25Å; K1400-L1403 PolarHBondContact O-N 2.81Å; K1401-L1403 VanDerWaalsContact C-N 3.31Å; K1401-L1403 PolarHBondContact O-N 3.32Å; L1403-V1405 HydrophobicContact CB-CG2 4.03Å; L1403-V1405 PolarHBondContact O-N 3.06Å
1404G59Low67.4Low60 Ų6086.6 Ų86.662%0.61948%0.483SS*.THydrogen-bonded Turntrans71.713-175.900000113.9K1400 K1401 Y1402 V1406K1400-G1404 PolarHBondContact O-N 3.47Å; K1401-G1404 PolarHBondContact O-N 3.41Å; Y1402-G1404 PolarHBondContact O-N 2.84Å; G1404-V1406 PolarHBondContact O-N 2.98Å
1405V54.1Low66.2Low85 Ų8587.7 Ų87.752%0.51549%0.494SS..  trans-84103.1177-173.50000107.3K1400 L1403K1400-V1405 PolarHBondContact O-N 3.18Å; L1403-V1405 HydrophobicContact CB-CG2 4.03Å; L1403-V1405 PolarHBondContact O-N 3.06Å
1406V34.9Very low64.7Low119 Ų11993.9 Ų93.972%0.72153%0.529SS*.  trans-56126.1170.6-175.30000106.9G1404 E1408G1404-V1406 PolarHBondContact O-N 2.98Å; V1406-E1408 PolarHBondContact O-N 3.35Å
1407P39.9Very low63.2Low82 Ų82100.3 Ų100.353%0.53257%0.565SS.*  trans-58.8114.6173.523.3-30.5000107.7A1409P1407-A1409 PolarHBondContact O-N 3.04Å
1408E33.4Very low61.3Low174 Ų174100 Ų10081%0.81357%0.571SS**  trans-63.1104.8163.7-72.1-179.6161.400106.2V1406V1406-E1408 PolarHBondContact O-N 3.35Å
1409A28.5Very low59.1Low170 Ų170105.2 Ų105.2100%1.40560%0.603SS**  trans-78.10170.500000110.3P1407P1407-A1409 PolarHBondContact O-N 3.04Å

Retrieved 1,409 of 1,409 residues in 924.2 ms (Link to these results)

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