A0A087X499_POEFO Loading...

Molecule interacting with CasL protein 1

AlphaFold DB , UniProt , Accession A0A087X499, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,253 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
1M41.1Very low64.2Low244 Ų244116.6 Ų116.6100%1.20264%0.638SS**  0133.10-66.8169.6177.100106.8
2A43.6Very low66.8Low95 Ų95110.1 Ų110.179%0.78561%0.611SS**  trans-83.6132.3174.200000109.5K4A2-K4 PolarHBondContact O-N 2.6Å
3N41.2Very low69.1Low159 Ų159102.5 Ų102.585%0.8557%0.57SS**  trans-64.3108.3170.1-94.9-6.2000108.7E5N3-E5 VanDerWaalsContact C-N 3.28Å; N3-E5 PolarHBondContact O-N 3.44Å; N3-E5 VanDerWaalsContact O-N 3.11Å
4K46.1Very low71.1Confident202 Ų20295.4 Ų95.488%0.87853%0.53SS*.  trans-77.287.9160.5-73.8-173.8177-1780107.6A2A2-K4 PolarHBondContact O-N 2.6Å
5E49.2Very low72.8Confident155 Ų15591.1 Ų91.172%0.72451%0.506SS*.  trans-51.9148.5156.7-65.8-167.9148.500109.4N3 V7N3-E5 VanDerWaalsContact C-N 3.28Å; N3-E5 PolarHBondContact O-N 3.44Å; N3-E5 VanDerWaalsContact O-N 3.11Å; E5-V7 VanDerWaalsContact C-N 3.27Å; E5-V7 PolarHBondContact O-N 3.28Å
6P51Low74.4Confident128 Ų12890.6 Ų90.683%0.83150%0.501SS*.  trans-69.986.8177.629.7-34.4000109.6N8P6-N8 PolarHBondContact O-N 3.47Å
7V68.4Low75.7Confident107 Ų10785.3 Ų85.365%0.64847%0.472SS*.  trans-48.1115.2177.2-179.30000108.7E5 P9 A12E5-V7 VanDerWaalsContact C-N 3.27Å; E5-V7 PolarHBondContact O-N 3.28Å; V7-P9 VanDerWaalsContact O-N 3.14Å; V7-A12 HydrophobicContact CG1-CB 4.16Å
8N86.3Confident76.9Confident71 Ų7181.8 Ų81.838%0.3845%0.454SS..  trans-52.8121.5-177.8-178.40.9000109P6 S10 H11 A12P6-N8 PolarHBondContact O-N 3.47Å; N8-S10 PolarHBondContact ND2-OG 2.88Å; N8-S10 PolarHBondContact O-N 3.23Å; N8-S10 VanDerWaalsContact O-N 3.07Å; N8-S10 PolarHBondContact OD1-N 2.62Å; N8-S10 PolarHBondContact OD1-OG 3.3Å; N8-H11 HydrophobicContact CB-CB 4.31Å; N8-H11 PolarHBondContact ND2-CD2 2.94Å; N8-H11 VanDerWaalsContact ND2-CD2 3.27Å; N8-H11 PolarHBondContact ND2-NE2 3.31Å; N8-H11 WeakPolarHBondContact O-CB 3.39Å; N8-H11 PolarHBondContact O-N 3.43Å; N8-A12 PolarHBondContact O-N 3.38Å
9P90.9Very high77.9Confident80 Ų8083.9 Ų83.952%0.51946%0.46SS..Hα-helixtrans-57.2-29.8-172.819.6-33.1000113V7 A12 T13 Q36V7-P9 VanDerWaalsContact O-N 3.14Å; P9-A12 PolarHBondContact O-N 3.23Å; P9-T13 VanDerWaalsContact O-CB 3.31Å; P9-T13 WeakPolarHBondContact O-CB 3.44Å; P9-T13 PolarHBondContact O-N 3.32Å; P9-T13 PolarHBondContact O-OG1 3.02Å; P9-Q36 PolarHBondContact O-OE1 3.43Å; P9-Q36 VanDerWaalsContact O-OE1 3.09Å
10S93.7Very high78.9Confident4 Ų480.1 Ų80.13%0.02844%0.44CS..Hα-helixtrans-70.1-32.2176.163.20000112.8N8 T13 F14 L33N8-S10 PolarHBondContact ND2-OG 2.88Å; N8-S10 PolarHBondContact O-N 3.23Å; N8-S10 VanDerWaalsContact O-N 3.07Å; N8-S10 PolarHBondContact OD1-N 2.62Å; N8-S10 PolarHBondContact OD1-OG 3.3Å; S10-T13 PolarHBondContact O-N 3.04Å; S10-F14 WeakPolarHBondContact O-CB 3.36Å; S10-F14 PolarHBondContact O-N 3.29Å; S10-L33 WeakPolarHBondContact O-CD1 3.41Å
11H95.3Very high79.7Confident38 Ų3883.3 Ų83.318%0.17645%0.449CS..Hα-helixtrans-69.2-44.9176.3-61-169.7000110N8 T13 F14 D15 Y57N8-H11 HydrophobicContact CB-CB 4.31Å; N8-H11 PolarHBondContact ND2-CD2 2.94Å; N8-H11 VanDerWaalsContact ND2-CD2 3.27Å; N8-H11 PolarHBondContact ND2-NE2 3.31Å; N8-H11 WeakPolarHBondContact O-CB 3.39Å; N8-H11 PolarHBondContact O-N 3.43Å; H11-T13 VanDerWaalsContact C-N 3.34Å; H11-T13 PolarHBondContact O-N 3.37Å; H11-F14 PolarHBondContact O-N 3.27Å; H11-D15 PolarHBondContact O-N 3.27Å; H11-Y57 HydrophobicContact CB-CD1 3.93Å; H11-Y57 HydrophobicContact CB-CD2 4.08Å; H11-Y57 HydrophobicContact CB-CE1 3.97Å; H11-Y57 HydrophobicContact CB-CE2 4.15Å; H11-Y57 HydrophobicContact CB-CG 3.98Å; H11-Y57 AromaticContact CE1-CD2 3.85Å; H11-Y57 AromaticContact CG-CD2 3.69Å; H11-Y57 AromaticContact CG-CG 3.63Å; H11-Y57 AromaticContact ND1-CD2 3.28Å; H11-Y57 VanDerWaalsContact ND1-CD2 3.28Å; H11-Y57 WeakPolarHBondContact ND1-CD2 3.47Å; H11-Y57 AromaticContact ND1-CE2 3.84Å; H11-Y57 AromaticContact ND1-CG 3.67Å
12A94.9Very high82.3Confident38 Ų3873.7 Ų73.731%0.31440%0.404SS..Hα-helixtrans-63.7-38.1174.400000112.4V7 N8 P9 D15 L16V7-A12 HydrophobicContact CG1-CB 4.16Å; N8-A12 PolarHBondContact O-N 3.38Å; P9-A12 PolarHBondContact O-N 3.23Å; A12-D15 PolarHBondContact O-N 2.88Å; A12-L16 WeakPolarHBondContact O-CG 3.3Å; A12-L16 PolarHBondContact O-N 2.83Å; A12-L16 VanDerWaalsContact O-N 3.07Å
13T97Very high84.8Confident12 Ų1269.2 Ų69.27%0.07437%0.367CS..Hα-helixtrans-70.3-36.1177.2-53.90000111.7P9 S10 H11 L16 F17 H29 E32 L33 Q36P9-T13 VanDerWaalsContact O-CB 3.31Å; P9-T13 WeakPolarHBondContact O-CB 3.44Å; P9-T13 PolarHBondContact O-N 3.32Å; P9-T13 PolarHBondContact O-OG1 3.02Å; S10-T13 PolarHBondContact O-N 3.04Å; H11-T13 VanDerWaalsContact C-N 3.34Å; H11-T13 PolarHBondContact O-N 3.37Å; T13-L16 PolarHBondContact O-N 3.19Å; T13-F17 PolarHBondContact O-N 3.29Å; T13-H29 WeakPolarHBondContact CG2-O 3.38Å; T13-E32 HydrophobicContact CG2-CB 4.15Å; T13-E32 HydrophobicContact CG2-CG 3.91Å; T13-L33 HydrophobicContact CG2-CB 3.96Å; T13-Q36 PolarHBondContact OG1-NE2 3.49Å; T13-Q36 PolarHBondContact OG1-OE1 3.48Å
14F97.3Very high87.4Confident3 Ų367 Ų671%0.01335%0.351CS..Hα-helixtrans-66-42.2171.6-179.1-100.9000112S10 H11 L16 F17 V18 L33 L55 Y57 A60 W64S10-F14 WeakPolarHBondContact O-CB 3.36Å; S10-F14 PolarHBondContact O-N 3.29Å; H11-F14 PolarHBondContact O-N 3.27Å; F14-L16 VanDerWaalsContact C-N 3.31Å; F14-L16 PolarHBondContact O-N 3.24Å; F14-F17 HydrophobicContact CD2-CD1 4.07Å; F14-F17 HydrophobicContact CE2-CD1 4.19Å; F14-F17 HydrophobicContact CE2-CE1 4.33Å; F14-F17 WeakPolarHBondContact O-CB 3.17Å; F14-F17 PolarHBondContact O-N 3.36Å; F14-V18 HydrophobicContact CD1-CG2 4.03Å; F14-V18 HydrophobicContact CE1-CG2 3.65Å; F14-V18 HydrophobicContact CE2-CG2 4.2Å; F14-V18 HydrophobicContact CG-CG2 4.47Å; F14-V18 HydrophobicContact CZ-CG2 3.75Å; F14-V18 WeakPolarHBondContact O-CG2 3.46Å; F14-V18 PolarHBondContact O-N 2.95Å; F14-L33 HydrophobicContact CB-CD1 4.31Å; F14-L33 HydrophobicContact CB-CD2 4.28Å; F14-L33 HydrophobicContact CD2-CD2 3.94Å; F14-L55 HydrophobicContact CB-CD2 3.99Å; F14-L55 HydrophobicContact CD2-CD2 3.51Å; F14-L55 HydrophobicContact CE2-CD2 4.09Å; F14-L55 HydrophobicContact CG-CD2 3.8Å; F14-Y57 AromaticContact CD1-CD1 3.94Å; F14-Y57 HydrophobicContact CD1-CD1 3.94Å; F14-Y57 HydrophobicContact CD1-CE1 4.25Å; F14-A60 HydrophobicContact CD1-CB 4.28Å; F14-A60 HydrophobicContact CE1-CB 3.7Å; F14-A60 HydrophobicContact CE2-CB 4.37Å; F14-A60 HydrophobicContact CZ-CB 3.75Å; F14-W64 HydrophobicContact CE2-CH2 4.31Å
15D96.3Very high89.9Confident31 Ų3161 Ų6117%0.16633%0.326CS..Hα-helixtrans-56.5-44.6172.9-101.7-34.3000111.7H11 A12 V18 Q19 Y57 K59H11-D15 PolarHBondContact O-N 3.27Å; A12-D15 PolarHBondContact O-N 2.88Å; D15-V18 PolarHBondContact O-N 3.34Å; D15-Q19 WeakPolarHBondContact O-CB 3.23Å; D15-Q19 WeakPolarHBondContact O-CG 3.31Å; D15-Q19 PolarHBondContact O-N 3.06Å; D15-Q19 PolarHBondContact O-NE2 3.2Å; D15-Y57 PolarHBondContact OD2-OH 3.49Å; D15-K59 WeakPolarHBondContact OD1-CD 3.45Å; D15-K59 IonicContact OD1-NZ 2.74Å; D15-K59 PolarHBondContact OD1-NZ 3.5Å; D15-K59 IonicContact OD2-NZ 3.76Å; D15-K59 PolarHBondContact OD2-NZ 2.89Å
16L97.4Very high92.2Very high83 Ų8353.6 Ų53.644%0.43529%0.292SS..Hα-helixtrans-64-41.7175.3-69.6169.8000112.5A12 T13 F14 Q19 A20A12-L16 WeakPolarHBondContact O-CG 3.3Å; A12-L16 PolarHBondContact O-N 2.83Å; A12-L16 VanDerWaalsContact O-N 3.07Å; T13-L16 PolarHBondContact O-N 3.19Å; F14-L16 VanDerWaalsContact C-N 3.31Å; F14-L16 PolarHBondContact O-N 3.24Å; L16-Q19 PolarHBondContact O-N 3.38Å; L16-A20 WeakPolarHBondContact O-CB 3.31Å; L16-A20 PolarHBondContact O-N 2.81Å
17F97.9Very high94.4Very high0 Ų049.7 Ų49.70%026%0.262CS..Hα-helixtrans-61.7-42174.1162.3-98.9000112.5T13 F14 V26 H29 F30 F143 K166 L169 I170T13-F17 PolarHBondContact O-N 3.29Å; F14-F17 HydrophobicContact CD2-CD1 4.07Å; F14-F17 HydrophobicContact CE2-CD1 4.19Å; F14-F17 HydrophobicContact CE2-CE1 4.33Å; F14-F17 WeakPolarHBondContact O-CB 3.17Å; F14-F17 PolarHBondContact O-N 3.36Å; F17-V26 HydrophobicContact CD2-CG1 4.17Å; F17-V26 HydrophobicContact CE2-CG1 3.83Å; F17-H29 HydrophobicContact CB-CB 3.86Å; F17-F30 HydrophobicContact CD2-CB 3.76Å; F17-F30 AromaticContact CD2-CD2 3.92Å; F17-F30 HydrophobicContact CD2-CD2 3.92Å; F17-F30 HydrophobicContact CD2-CG 4.32Å; F17-F30 HydrophobicContact CE1-CD2 4.45Å; F17-F30 HydrophobicContact CE2-CB 3.81Å; F17-F30 AromaticContact CE2-CD2 3.48Å; F17-F30 HydrophobicContact CE2-CD2 3.48Å; F17-F30 VanDerWaalsContact CE2-CD2 3.48Å; F17-F30 HydrophobicContact CE2-CE2 4.42Å; F17-F30 AromaticContact CE2-CG 3.99Å; F17-F30 HydrophobicContact CE2-CG 3.99Å; F17-F30 AromaticContact CZ-CD2 3.78Å; F17-F30 HydrophobicContact CZ-CD2 3.78Å; F17-F30 HydrophobicContact CZ-CE2 4.32Å; F17-F143 HydrophobicContact CE1-CE1 4.37Å; F17-K166 HydrophobicContact CE1-CB 4.24Å; F17-K166 HydrophobicContact CE1-CG 4.34Å; F17-K166 HydrophobicContact CE2-CB 4.29Å; F17-K166 HydrophobicContact CE2-CG 3.96Å; F17-K166 HydrophobicContact CZ-CB 3.69Å; F17-K166 HydrophobicContact CZ-CG 3.8Å; F17-K166 WeakPolarHBondContact O-CE 3.29Å; F17-L169 HydrophobicContact CE2-CD1 4.27Å; F17-I170 HydrophobicContact CE1-CD1 3.99Å; F17-I170 HydrophobicContact CE1-CG1 4.22Å; F17-I170 HydrophobicContact CZ-CD1 4.3Å; F17-I170 HydrophobicContact CZ-CG1 4.22Å
18V96.7Very high95.8Very high23 Ų2351.6 Ų51.614%0.13926%0.261CS..Hα-helixtrans-65.2-40.5175.5170.70000110.9F14 D15 K142 F143 K166F14-V18 HydrophobicContact CD1-CG2 4.03Å; F14-V18 HydrophobicContact CE1-CG2 3.65Å; F14-V18 HydrophobicContact CE2-CG2 4.2Å; F14-V18 HydrophobicContact CG-CG2 4.47Å; F14-V18 HydrophobicContact CZ-CG2 3.75Å; F14-V18 WeakPolarHBondContact O-CG2 3.46Å; F14-V18 PolarHBondContact O-N 2.95Å; D15-V18 PolarHBondContact O-N 3.34Å; V18-K142 WeakPolarHBondContact CG1-O 3.46Å; V18-F143 HydrophobicContact CG1-CD1 4.45Å; V18-F143 HydrophobicContact CG2-CD1 4.3Å; V18-F143 HydrophobicContact CG2-CE1 4.26Å; V18-K166 PolarHBondContact O-NZ 2.89Å
19Q96Very high96.3Very high122 Ų12250 Ų5057%0.5725%0.252SS*.Hα-helixtrans-81.9-17.5-176.4-68.316945.900115D15 L16 K21D15-Q19 WeakPolarHBondContact O-CB 3.23Å; D15-Q19 WeakPolarHBondContact O-CG 3.31Å; D15-Q19 PolarHBondContact O-N 3.06Å; D15-Q19 PolarHBondContact O-NE2 3.2Å; L16-Q19 PolarHBondContact O-N 3.38Å; Q19-K21 WeakPolarHBondContact O-CG 3.34Å
20A97.4Very high96.7Very high7 Ų746.8 Ų46.86%0.05823%0.23CC..  trans-53.3140.2-178.700000114.1L16 E25 V26 K166L16-A20 WeakPolarHBondContact O-CB 3.31Å; L16-A20 PolarHBondContact O-N 2.81Å; A20-E25 HydrophobicContact CB-CB 3.64Å; A20-V26 HydrophobicContact CB-CB 4.46Å; A20-V26 HydrophobicContact CB-CG2 3.61Å; A20-K166 PolarHBondContact O-NZ 2.92Å
21K95.1Very high96.8Very high148 Ų14851.1 Ų51.164%0.64326%0.256SS*.  trans-119.5-1.3-170.7-59-172.2-178.5-177.90114.5Q19 E25 R158 L162Q19-K21 WeakPolarHBondContact O-CG 3.34Å; K21-E25 PolarHBondContact N-OE2 3.22Å; K21-R158 PolarHBondContact O-NH2 3.35Å; K21-R158 VanDerWaalsContact O-NH2 3.09Å; K21-L162 VanDerWaalsContact O-CD1 3.28Å; K21-L162 WeakPolarHBondContact O-CD1 3.33Å
22T96.2Very high96.9Very high42 Ų4252.4 Ų52.426%0.25826%0.262SS..SBendtrans-128.2158.8174.768.60000111.1Q24 E25 V26 E118T22-Q24 VanDerWaalsContact C-N 3.34Å; T22-E25 PolarHBondContact N-OE2 2.9Å; T22-E25 VanDerWaalsContact N-OE2 3.1Å; T22-E25 PolarHBondContact O-N 3.14Å; T22-E25 VanDerWaalsContact OG1-CB 3.31Å; T22-E25 WeakPolarHBondContact OG1-CB 3.38Å; T22-E25 WeakPolarHBondContact OG1-CG 3.25Å; T22-E25 PolarHBondContact OG1-N 3.32Å; T22-E25 VanDerWaalsContact OG1-N 3.15Å; T22-E25 PolarHBondContact OG1-OE2 2.85Å; T22-V26 WeakPolarHBondContact O-CG2 3.5Å; T22-V26 PolarHBondContact O-N 3.07Å; T22-V26 VanDerWaalsContact O-N 3.1Å; T22-E118 WeakPolarHBondContact CB-OE1 3.46Å
23C96.6Very high97Very high0 Ų050.6 Ų50.60%025%0.247CC..Hα-helixtrans-62.7-42.6178.2-170.90000111.1V26 K27 E118 F119C23-V26 PolarHBondContact O-N 3.11Å; C23-K27 WeakPolarHBondContact O-CB 3.22Å; C23-K27 WeakPolarHBondContact O-CG 3.32Å; C23-K27 PolarHBondContact O-N 2.83Å; C23-E118 WeakPolarHBondContact CA-OE1 3.37Å; C23-E118 WeakPolarHBondContact CB-OE1 2.99Å; C23-E118 VanDerWaalsContact CB-OE2 3.23Å; C23-E118 WeakPolarHBondContact CB-OE2 3.5Å; C23-E118 VanDerWaalsContact N-CD 3.3Å; C23-E118 PolarHBondContact N-OE1 2.79Å; C23-E118 PolarHBondContact N-OE2 3.47Å; C23-F119 HydrophobicContact CB-CD2 4.24Å; C23-F119 HydrophobicContact CB-CE2 4.45Å; C23-F119 HydrophobicContact CB-CG 4.33Å
24Q96.1Very high97Very high112 Ų11250.3 Ų50.352%0.52325%0.246SC..Hα-helixtrans-63.6-43.2178.2-70.2179.311.200112.1T22 K28 E118T22-Q24 VanDerWaalsContact C-N 3.34Å; Q24-K28 WeakPolarHBondContact O-CB 3.22Å; Q24-K28 PolarHBondContact O-N 2.88Å; Q24-E118 WeakPolarHBondContact CB-OE1 3.27Å; Q24-E118 HydrophobicContact CG-CG 4.44Å; Q24-E118 WeakPolarHBondContact CG-OE1 3.27Å; Q24-E118 PolarHBondContact N-OE1 3.07Å
25E97.6Very high97Very high76 Ų7657.6 Ų57.636%0.35527%0.273SS..Hα-helixtrans-60.5-49.2173.5-75.6169.8160.700111.4A20 K21 T22 K27 K28 H29A20-E25 HydrophobicContact CB-CB 3.64Å; K21-E25 PolarHBondContact N-OE2 3.22Å; T22-E25 PolarHBondContact N-OE2 2.9Å; T22-E25 VanDerWaalsContact N-OE2 3.1Å; T22-E25 PolarHBondContact O-N 3.14Å; T22-E25 VanDerWaalsContact OG1-CB 3.31Å; T22-E25 WeakPolarHBondContact OG1-CB 3.38Å; T22-E25 WeakPolarHBondContact OG1-CG 3.25Å; T22-E25 PolarHBondContact OG1-N 3.32Å; T22-E25 VanDerWaalsContact OG1-N 3.15Å; T22-E25 PolarHBondContact OG1-OE2 2.85Å; E25-K27 PolarHBondContact O-N 2.84Å; E25-K28 PolarHBondContact O-N 3.48Å; E25-H29 WeakPolarHBondContact O-CB 3.14Å; E25-H29 PolarHBondContact O-CD2 2.73Å; E25-H29 PolarHBondContact O-N 2.7Å
26V98.3Very high97Very high0 Ų058.3 Ų58.30%028%0.276CS..Hα-helixtrans-56.8-51.2179.5170.60000110.5F17 A20 T22 C23 F30 L162 L165 K166 L169F17-V26 HydrophobicContact CD2-CG1 4.17Å; F17-V26 HydrophobicContact CE2-CG1 3.83Å; A20-V26 HydrophobicContact CB-CB 4.46Å; A20-V26 HydrophobicContact CB-CG2 3.61Å; T22-V26 WeakPolarHBondContact O-CG2 3.5Å; T22-V26 PolarHBondContact O-N 3.07Å; T22-V26 VanDerWaalsContact O-N 3.1Å; C23-V26 PolarHBondContact O-N 3.11Å; V26-F30 WeakPolarHBondContact O-CB 3.32Å; V26-F30 PolarHBondContact O-N 3.07Å; V26-L162 HydrophobicContact CG2-CD2 3.96Å; V26-L165 HydrophobicContact CB-CD2 4.15Å; V26-L165 HydrophobicContact CG1-CD2 3.78Å; V26-L165 HydrophobicContact CG1-CG 3.95Å; V26-K166 HydrophobicContact CG1-CG 3.86Å; V26-K166 HydrophobicContact CG2-CD 4.49Å; V26-K166 VanDerWaalsContact CG2-CE 3.42Å; V26-K166 HydrophobicContact CG2-CG 4.23Å; V26-L169 HydrophobicContact CG1-CD1 3.74Å
27K97Very high96.9Very high47 Ų4755.1 Ų55.120%0.20426%0.259CS..Hα-helixtrans-63.3-44179.1-68.6-177.565.8165.10111.8C23 E25 F30 T31 V175 T177C23-K27 WeakPolarHBondContact O-CB 3.22Å; C23-K27 WeakPolarHBondContact O-CG 3.32Å; C23-K27 PolarHBondContact O-N 2.83Å; E25-K27 PolarHBondContact O-N 2.84Å; K27-F30 PolarHBondContact O-N 3.4Å; K27-T31 WeakPolarHBondContact O-CB 3.08Å; K27-T31 PolarHBondContact O-N 2.81Å; K27-T31 PolarHBondContact O-OG1 3.23Å; K27-V175 WeakPolarHBondContact CE-O 3.33Å; K27-V175 PolarHBondContact NZ-O 2.99Å; K27-T177 HydrophobicContact CD-CG2 4.13Å; K27-T177 PolarHBondContact NZ-OG1 2.83Å
28K97.5Very high96.8Very high146 Ų14663 Ų6364%0.63530%0.295SS*.Hα-helixtrans-61.1-51.8179.2177.1-175.7177.3-175.40112.4Q24 E25 F30 T31 E32Q24-K28 WeakPolarHBondContact O-CB 3.22Å; Q24-K28 PolarHBondContact O-N 2.88Å; E25-K28 PolarHBondContact O-N 3.48Å; K28-F30 VanDerWaalsContact C-N 3.31Å; K28-F30 PolarHBondContact O-N 3.37Å; K28-T31 PolarHBondContact O-N 3.5Å; K28-E32 PolarHBondContact O-N 3.12Å
29H98.2Very high96.7Very high38 Ų3862.8 Ų62.818%0.17629%0.293CS..Hα-helixtrans-67.2-34.2179.8-68.6-60.9000111.6T13 F17 E25 E32 L33T13-H29 WeakPolarHBondContact CG2-O 3.38Å; F17-H29 HydrophobicContact CB-CB 3.86Å; E25-H29 WeakPolarHBondContact O-CB 3.14Å; E25-H29 PolarHBondContact O-CD2 2.73Å; E25-H29 PolarHBondContact O-N 2.7Å; H29-E32 PolarHBondContact O-N 3.42Å; H29-L33 WeakPolarHBondContact O-CB 3.22Å; H29-L33 PolarHBondContact O-N 2.87Å
30F97.6Very high96.4Very high13 Ų1361.3 Ų61.36%0.05729%0.289CS..Hα-helixtrans-66.9-43.6173.8-167.2-102000113.2F17 V26 K27 K28 E32 L33 C34 F47 L51 L169 I170F17-F30 HydrophobicContact CD2-CB 3.76Å; F17-F30 AromaticContact CD2-CD2 3.92Å; F17-F30 HydrophobicContact CD2-CD2 3.92Å; F17-F30 HydrophobicContact CD2-CG 4.32Å; F17-F30 HydrophobicContact CE1-CD2 4.45Å; F17-F30 HydrophobicContact CE2-CB 3.81Å; F17-F30 AromaticContact CE2-CD2 3.48Å; F17-F30 HydrophobicContact CE2-CD2 3.48Å; F17-F30 VanDerWaalsContact CE2-CD2 3.48Å; F17-F30 HydrophobicContact CE2-CE2 4.42Å; F17-F30 AromaticContact CE2-CG 3.99Å; F17-F30 HydrophobicContact CE2-CG 3.99Å; F17-F30 AromaticContact CZ-CD2 3.78Å; F17-F30 HydrophobicContact CZ-CD2 3.78Å; F17-F30 HydrophobicContact CZ-CE2 4.32Å; V26-F30 WeakPolarHBondContact O-CB 3.32Å; V26-F30 PolarHBondContact O-N 3.07Å; K27-F30 PolarHBondContact O-N 3.4Å; K28-F30 VanDerWaalsContact C-N 3.31Å; K28-F30 PolarHBondContact O-N 3.37Å; F30-E32 VanDerWaalsContact C-N 3.34Å; F30-E32 PolarHBondContact O-N 2.98Å; F30-L33 WeakPolarHBondContact O-CB 3.32Å; F30-L33 PolarHBondContact O-N 3.22Å; F30-C34 WeakPolarHBondContact CE1-SG 3.45Å; F30-C34 PolarHBondContact O-N 3.26Å; F30-C34 PolarHBondContact O-SG 2.92Å; F30-F47 HydrophobicContact CE1-CE1 4.36Å; F30-F47 AromaticContact CE1-CZ 3.9Å; F30-F47 HydrophobicContact CE1-CZ 3.9Å; F30-F47 AromaticContact CZ-CE1 3.73Å; F30-F47 HydrophobicContact CZ-CE1 3.73Å; F30-F47 AromaticContact CZ-CZ 3.55Å; F30-F47 HydrophobicContact CZ-CZ 3.55Å; F30-L51 HydrophobicContact CE2-CD2 4.45Å; F30-L169 HydrophobicContact CB-CD1 4.13Å; F30-L169 HydrophobicContact CD1-CB 3.87Å; F30-L169 HydrophobicContact CD1-CD1 4.24Å; F30-L169 HydrophobicContact CD1-CD2 4Å; F30-L169 HydrophobicContact CD1-CG 4.26Å; F30-L169 HydrophobicContact CD2-CB 4Å; F30-L169 HydrophobicContact CE1-CB 3.78Å; F30-L169 HydrophobicContact CE1-CD2 4.21Å; F30-L169 HydrophobicContact CE2-CB 3.92Å; F30-L169 HydrophobicContact CG-CB 3.97Å; F30-L169 HydrophobicContact CG-CD1 4.09Å; F30-L169 HydrophobicContact CG-CG 4.46Å; F30-L169 HydrophobicContact CZ-CB 3.81Å; F30-L169 WeakPolarHBondContact CZ-O 3.26Å; F30-I170 HydrophobicContact CE2-CG1 4.48Å
31T96.9Very high95.7Very high95 Ų9564.2 Ų64.258%0.58331%0.308SS*.Hα-helixtrans-61.2-42.5174.8-590000111.5K27 K28 C34 R35K27-T31 WeakPolarHBondContact O-CB 3.08Å; K27-T31 PolarHBondContact O-N 2.81Å; K27-T31 PolarHBondContact O-OG1 3.23Å; K28-T31 PolarHBondContact O-N 3.5Å; T31-C34 PolarHBondContact O-N 3.43Å; T31-R35 WeakPolarHBondContact O-CB 3.28Å; T31-R35 PolarHBondContact O-N 3.11Å
32E97.1Very high95.2Very high64 Ų6464.8 Ų64.830%0.29931%0.31SS..Hα-helixtrans-66.5-37.8176.417855.1-161.500112.2T13 K28 H29 F30 R35 Q36T13-E32 HydrophobicContact CG2-CB 4.15Å; T13-E32 HydrophobicContact CG2-CG 3.91Å; K28-E32 PolarHBondContact O-N 3.12Å; H29-E32 PolarHBondContact O-N 3.42Å; F30-E32 VanDerWaalsContact C-N 3.34Å; F30-E32 PolarHBondContact O-N 2.98Å; E32-R35 WeakPolarHBondContact O-CB 3.33Å; E32-R35 PolarHBondContact O-N 2.81Å; E32-R35 IonicContact OE1-CZ 2.61Å; E32-R35 IonicContact OE1-NE 3.35Å; E32-R35 IonicContact OE1-NH2 2.75Å; E32-R35 PolarHBondContact OE1-NH2 3.37Å; E32-R35 IonicContact OE2-CZ 3.27Å; E32-R35 IonicContact OE2-NE 2.74Å; E32-R35 PolarHBondContact OE2-NE 2.99Å; E32-R35 IonicContact OE2-NH2 3.23Å; E32-R35 PolarHBondContact OE2-NH2 3.22Å; E32-Q36 WeakPolarHBondContact O-CG 3.42Å; E32-Q36 PolarHBondContact O-N 3.17Å; E32-Q36 PolarHBondContact OE1-NE2 3.44Å
33L97.4Very high94.9Very high1 Ų165 Ų651%0.00531%0.31CS..Hα-helixtrans-62-46.8173-177.264000111.4S10 T13 F14 H29 F30 R35 Q36 L37 L51 L55S10-L33 WeakPolarHBondContact O-CD1 3.41Å; T13-L33 HydrophobicContact CG2-CB 3.96Å; F14-L33 HydrophobicContact CB-CD1 4.31Å; F14-L33 HydrophobicContact CB-CD2 4.28Å; F14-L33 HydrophobicContact CD2-CD2 3.94Å; H29-L33 WeakPolarHBondContact O-CB 3.22Å; H29-L33 PolarHBondContact O-N 2.87Å; F30-L33 WeakPolarHBondContact O-CB 3.32Å; F30-L33 PolarHBondContact O-N 3.22Å; L33-R35 VanDerWaalsContact C-N 3.3Å; L33-R35 PolarHBondContact O-N 3.38Å; L33-Q36 PolarHBondContact O-N 3.33Å; L33-L37 HydrophobicContact CD1-CD1 3.82Å; L33-L37 HydrophobicContact CD1-CG 4.16Å; L33-L37 HydrophobicContact CG-CD1 3.95Å; L33-L37 WeakPolarHBondContact O-CB 3.49Å; L33-L37 WeakPolarHBondContact O-CG 3.48Å; L33-L37 PolarHBondContact O-N 2.92Å; L33-L51 HydrophobicContact CD2-CD1 4.48Å; L33-L55 HydrophobicContact CD1-CD2 4.31Å; L33-L55 HydrophobicContact CD2-CD2 4.15Å
34C96.9Very high94.6Very high6 Ų668 Ų684%0.04132%0.322CS..Hα-helixtrans-59.3-41.9175.2-65.50000111.7F30 T31 L37 Q38 L39F30-C34 WeakPolarHBondContact CE1-SG 3.45Å; F30-C34 PolarHBondContact O-N 3.26Å; F30-C34 PolarHBondContact O-SG 2.92Å; T31-C34 PolarHBondContact O-N 3.43Å; C34-L37 CarbonylContact O-C 3.55Å; C34-L37 PolarHBondContact O-N 2.97Å; C34-Q38 PolarHBondContact O-N 3.13Å; C34-L39 HydrophobicContact CB-CB 4.27Å; C34-L39 PolarHBondContact O-N 3.45Å
35R96.5Very high94.2Very high155 Ų15566.5 Ų66.559%0.58532%0.323SS*.Hα-helixtrans-63.6-40.3177.4-166.8-161.165.168.9-0.5112.3T31 E32 L33T31-R35 WeakPolarHBondContact O-CB 3.28Å; T31-R35 PolarHBondContact O-N 3.11Å; E32-R35 WeakPolarHBondContact O-CB 3.33Å; E32-R35 PolarHBondContact O-N 2.81Å; E32-R35 IonicContact OE1-CZ 2.61Å; E32-R35 IonicContact OE1-NE 3.35Å; E32-R35 IonicContact OE1-NH2 2.75Å; E32-R35 PolarHBondContact OE1-NH2 3.37Å; E32-R35 IonicContact OE2-CZ 3.27Å; E32-R35 IonicContact OE2-NE 2.74Å; E32-R35 PolarHBondContact OE2-NE 2.99Å; E32-R35 IonicContact OE2-NH2 3.23Å; E32-R35 PolarHBondContact OE2-NH2 3.22Å; L33-R35 VanDerWaalsContact C-N 3.3Å; L33-R35 PolarHBondContact O-N 3.38Å
36Q95.9Very high94Very high47 Ų4766.2 Ų66.222%0.2232%0.324CS..Hα-helixtrans-71.6-40.5177.3-70.6174.820.500112.3P9 T13 E32 L33 Q38P9-Q36 PolarHBondContact O-OE1 3.43Å; P9-Q36 VanDerWaalsContact O-OE1 3.09Å; T13-Q36 PolarHBondContact OG1-NE2 3.49Å; T13-Q36 PolarHBondContact OG1-OE1 3.48Å; E32-Q36 WeakPolarHBondContact O-CG 3.42Å; E32-Q36 PolarHBondContact O-N 3.17Å; E32-Q36 PolarHBondContact OE1-NE2 3.44Å; L33-Q36 PolarHBondContact O-N 3.33Å; Q36-Q38 VanDerWaalsContact C-N 3.27Å; Q36-Q38 PolarHBondContact O-N 3Å
37L95.9Very high93.8Very high15 Ų1566.4 Ų66.48%0.07933%0.325CS..THydrogen-bonded Turntrans-82.40.7178.2-62.2179.8000113.9L33 C34 L39 L51 R54 L55L33-L37 HydrophobicContact CD1-CD1 3.82Å; L33-L37 HydrophobicContact CD1-CG 4.16Å; L33-L37 HydrophobicContact CG-CD1 3.95Å; L33-L37 WeakPolarHBondContact O-CB 3.49Å; L33-L37 WeakPolarHBondContact O-CG 3.48Å; L33-L37 PolarHBondContact O-N 2.92Å; C34-L37 CarbonylContact O-C 3.55Å; C34-L37 PolarHBondContact O-N 2.97Å; L37-L39 VanDerWaalsContact C-N 3.31Å; L37-L39 HydrophobicContact CB-CD1 3.96Å; L37-L39 HydrophobicContact CB-CG 3.87Å; L37-L39 HydrophobicContact CD1-CD1 4.18Å; L37-L39 PolarHBondContact O-N 3.45Å; L37-L51 HydrophobicContact CD1-CD1 3.68Å; L37-R54 HydrophobicContact CB-CB 4.47Å; L37-R54 HydrophobicContact CD2-CB 4.16Å; L37-R54 WeakPolarHBondContact CD2-O 3.37Å; L37-R54 WeakPolarHBondContact O-CD 3.43Å; L37-R54 PolarHBondContact O-NH1 2.92Å; L37-L55 HydrophobicContact CD1-CB 3.96Å; L37-L55 HydrophobicContact CD1-CD1 4.48Å; L37-L55 HydrophobicContact CD1-CD2 4.34Å; L37-L55 HydrophobicContact CD1-CG 4.5Å
38Q95.7Very high93.8Very high165 Ų16565.5 Ų65.577%0.77132%0.321SS*.THydrogen-bonded Turntrans55.141.7-179.4-53.3178.131.300113.3C34 Q36 R54C34-Q38 PolarHBondContact O-N 3.13Å; Q36-Q38 VanDerWaalsContact C-N 3.27Å; Q36-Q38 PolarHBondContact O-N 3Å; Q38-R54 VanDerWaalsContact C-NH1 3.33Å; Q38-R54 PolarHBondContact O-NH1 3.16Å
39L95.1Very high93.6Very high19 Ų1961.6 Ų61.610%0.09931%0.309CS..  trans-91.9138.3177.4-57.7172000110.1C34 L37 F47 K50 L51C34-L39 HydrophobicContact CB-CB 4.27Å; C34-L39 PolarHBondContact O-N 3.45Å; L37-L39 VanDerWaalsContact C-N 3.31Å; L37-L39 HydrophobicContact CB-CD1 3.96Å; L37-L39 HydrophobicContact CB-CG 3.87Å; L37-L39 HydrophobicContact CD1-CD1 4.18Å; L37-L39 PolarHBondContact O-N 3.45Å; L39-F47 HydrophobicContact CB-CD2 4.38Å; L39-F47 HydrophobicContact CB-CE2 3.83Å; L39-F47 HydrophobicContact CD1-CE2 4.13Å; L39-F47 HydrophobicContact CD1-CZ 4.15Å; L39-K50 HydrophobicContact CD2-CB 3.66Å; L39-L51 HydrophobicContact CD1-CB 3.86Å; L39-L51 HydrophobicContact CD1-CD1 3.73Å; L39-L51 HydrophobicContact CD1-CG 4.36Å
40D90.1Very high93.6Very high91 Ų9162.9 Ų62.949%0.48731%0.314SS..  trans-98.7114167.3-175.7-3.3000109.2K42 D43D40-K42 PolarHBondContact O-N 3.17Å; D40-K42 WeakPolarHBondContact OD1-CB 3.4Å; D40-K42 WeakPolarHBondContact OD1-CG 3.17Å; D40-K42 PolarHBondContact OD1-N 2.95Å; D40-D43 PolarHBondContact O-N 2.97Å; D40-D43 VanDerWaalsContact O-N 3.11Å
41P82.4Confident93.5Very high69 Ų6962.3 Ų62.345%0.44831%0.312SS..THydrogen-bonded Turntrans-58.4-14.9175.5-25.536000114.9F47P41-F47 HydrophobicContact CG-CE2 4.42Å
42K84.1Confident93.4Very high159 Ų15960.7 Ų60.769%0.69130%0.297SS*.THydrogen-bonded Turntrans-77.3-19.7176.6-62.6174.7180176.30113.6D40 Y44D40-K42 PolarHBondContact O-N 3.17Å; D40-K42 WeakPolarHBondContact OD1-CB 3.4Å; D40-K42 WeakPolarHBondContact OD1-CG 3.17Å; D40-K42 PolarHBondContact OD1-N 2.95Å; K42-Y44 PolarHBondContact O-N 2.88Å
43D90.9Very high93.3Very high47 Ų4763.7 Ų63.725%0.25131%0.311SS..  trans-83.450.7177.7-174.217.4000111.1D40 S45 N46 F47 K50D40-D43 PolarHBondContact O-N 2.97Å; D40-D43 VanDerWaalsContact O-N 3.11Å; D43-S45 PolarHBondContact O-N 3.48Å; D43-S45 VanDerWaalsContact O-N 3.09Å; D43-N46 PolarHBondContact O-N 2.78Å; D43-N46 PolarHBondContact OD1-ND2 3Å; D43-F47 WeakPolarHBondContact O-CB 3.34Å; D43-F47 PolarHBondContact O-N 2.96Å; D43-K50 IonicContact OD2-NZ 3.99Å; D43-K50 PolarHBondContact OD2-NZ 3.28Å
44Y88.8Confident93.3Very high63 Ų6369 Ų6925%0.24733%0.331CS..Hα-helixtrans-51.6-38.3-169.269.5-83.9000113.3K42 N46 F47 Q109K42-Y44 PolarHBondContact O-N 2.88Å; Y44-N46 VanDerWaalsContact C-N 3.29Å; Y44-N46 PolarHBondContact O-N 3.02Å; Y44-F47 PolarHBondContact O-N 3.18Å; Y44-Q109 HydrophobicContact CD1-CB 4.28Å; Y44-Q109 HydrophobicContact CD1-CG 3.76Å; Y44-Q109 HydrophobicContact CD2-CB 4.08Å; Y44-Q109 HydrophobicContact CD2-CG 4.25Å; Y44-Q109 HydrophobicContact CE1-CB 3.92Å; Y44-Q109 HydrophobicContact CE1-CG 3.75Å; Y44-Q109 HydrophobicContact CE2-CB 3.71Å; Y44-Q109 HydrophobicContact CE2-CG 4.25Å; Y44-Q109 HydrophobicContact CG-CB 4.37Å; Y44-Q109 HydrophobicContact CG-CG 4.03Å
45S88.1Confident93.2Very high80 Ų8068.8 Ų68.856%0.55933%0.329SS*.Hα-helixtrans-70.3-19.3-17852.30000114.5D43D43-S45 PolarHBondContact O-N 3.48Å; D43-S45 VanDerWaalsContact O-N 3.09Å
46N92.6Very high92.8Very high70 Ų7066.9 Ų66.937%0.37433%0.331SS..Hα-helixtrans-118.9-3.8176.2-54.4-83.1000113.1D43 Y44 T49 K50D43-N46 PolarHBondContact O-N 2.78Å; D43-N46 PolarHBondContact OD1-ND2 3Å; Y44-N46 VanDerWaalsContact C-N 3.29Å; Y44-N46 PolarHBondContact O-N 3.02Å; N46-T49 PolarHBondContact O-N 2.86Å; N46-K50 HydrophobicContact CB-CD 4.01Å; N46-K50 WeakPolarHBondContact O-CG 3.46Å; N46-K50 PolarHBondContact O-N 3.48Å
47F96Very high92.7Very high4 Ų466 Ų662%0.01833%0.325CS..Hα-helixtrans-59.1-53.4-168.8179.2-88.9000112.5F30 L39 P41 D43 Y44 T49 K50 L51 L169F30-F47 HydrophobicContact CE1-CE1 4.36Å; F30-F47 AromaticContact CE1-CZ 3.9Å; F30-F47 HydrophobicContact CE1-CZ 3.9Å; F30-F47 AromaticContact CZ-CE1 3.73Å; F30-F47 HydrophobicContact CZ-CE1 3.73Å; F30-F47 AromaticContact CZ-CZ 3.55Å; F30-F47 HydrophobicContact CZ-CZ 3.55Å; L39-F47 HydrophobicContact CB-CD2 4.38Å; L39-F47 HydrophobicContact CB-CE2 3.83Å; L39-F47 HydrophobicContact CD1-CE2 4.13Å; L39-F47 HydrophobicContact CD1-CZ 4.15Å; P41-F47 HydrophobicContact CG-CE2 4.42Å; D43-F47 WeakPolarHBondContact O-CB 3.34Å; D43-F47 PolarHBondContact O-N 2.96Å; Y44-F47 PolarHBondContact O-N 3.18Å; F47-T49 PolarHBondContact O-N 3.29Å; F47-K50 PolarHBondContact O-N 2.86Å; F47-L51 HydrophobicContact CE1-CB 4.48Å; F47-L51 HydrophobicContact CE1-CD2 4.01Å; F47-L51 WeakPolarHBondContact O-CB 3.49Å; F47-L51 PolarHBondContact O-N 2.93Å; F47-L169 WeakPolarHBondContact CE1-O 3.41Å
48Y95.8Very high92.3Very high28 Ų2873.9 Ų73.911%0.1135%0.354CS..Hα-helixtrans-61.3-42.6-179.3171.8-113.4000112.1L51 K52 W64 L67 D68 I170 L171Y48-L51 WeakPolarHBondContact O-CB 3.24Å; Y48-L51 PolarHBondContact O-N 2.63Å; Y48-K52 WeakPolarHBondContact O-CB 3.48Å; Y48-K52 PolarHBondContact O-N 3.42Å; Y48-W64 AromaticContact CE2-CE3 3.92Å; Y48-W64 HydrophobicContact CE2-CE3 3.92Å; Y48-W64 HydrophobicContact CE2-CZ3 4.12Å; Y48-W64 PolarHBondContact OH-O 2.62Å; Y48-L67 HydrophobicContact CE2-CD1 4.19Å; Y48-D68 VanDerWaalsContact CE1-OD1 3.27Å; Y48-D68 WeakPolarHBondContact CE1-OD1 3.44Å; Y48-D68 PolarHBondContact OH-OD1 2.97Å; Y48-I170 HydrophobicContact CD2-CG2 3.76Å; Y48-I170 HydrophobicContact CE2-CG2 3.83Å; Y48-L171 HydrophobicContact CD2-CD2 4.24Å; Y48-L171 HydrophobicContact CG-CD2 4.27Å
49T94.6Very high92.1Very high65 Ų6569.2 Ų69.240%0.39933%0.331SS..Hα-helixtrans-59.1-50.5176.7-47.60000111N46 F47 L51 K52 E53N46-T49 PolarHBondContact O-N 2.86Å; F47-T49 PolarHBondContact O-N 3.29Å; T49-L51 VanDerWaalsContact C-N 3.34Å; T49-L51 PolarHBondContact O-N 3.26Å; T49-K52 PolarHBondContact O-N 2.66Å; T49-E53 WeakPolarHBondContact O-CB 3.36Å; T49-E53 VanDerWaalsContact O-CG 3.28Å; T49-E53 WeakPolarHBondContact O-CG 3.37Å; T49-E53 PolarHBondContact O-N 3.32Å
50K96.6Very high92Very high64 Ų6468.3 Ų68.328%0.27833%0.327SS..Hα-helixtrans-66.6-32.6178.8-69.7170.9-179.7172.90112.8L39 D43 N46 F47 R54L39-K50 HydrophobicContact CD2-CB 3.66Å; D43-K50 IonicContact OD2-NZ 3.99Å; D43-K50 PolarHBondContact OD2-NZ 3.28Å; N46-K50 HydrophobicContact CB-CD 4.01Å; N46-K50 WeakPolarHBondContact O-CG 3.46Å; N46-K50 PolarHBondContact O-N 3.48Å; F47-K50 PolarHBondContact O-N 2.86Å; K50-R54 VanDerWaalsContact O-CB 3.32Å; K50-R54 WeakPolarHBondContact O-CB 3.46Å; K50-R54 WeakPolarHBondContact O-CG 3.35Å; K50-R54 PolarHBondContact O-N 3.33Å; K50-R54 VanDerWaalsContact O-N 3.15Å
51L96.4Very high92.2Very high1 Ų169.5 Ų69.51%0.00533%0.328CS..Hα-helixtrans-64.1-48.9172.4173.160.1000110.9F30 L33 L37 L39 F47 Y48 T49 R54 L55 W64 I170F30-L51 HydrophobicContact CE2-CD2 4.45Å; L33-L51 HydrophobicContact CD2-CD1 4.48Å; L37-L51 HydrophobicContact CD1-CD1 3.68Å; L39-L51 HydrophobicContact CD1-CB 3.86Å; L39-L51 HydrophobicContact CD1-CD1 3.73Å; L39-L51 HydrophobicContact CD1-CG 4.36Å; F47-L51 HydrophobicContact CE1-CB 4.48Å; F47-L51 HydrophobicContact CE1-CD2 4.01Å; F47-L51 WeakPolarHBondContact O-CB 3.49Å; F47-L51 PolarHBondContact O-N 2.93Å; Y48-L51 WeakPolarHBondContact O-CB 3.24Å; Y48-L51 PolarHBondContact O-N 2.63Å; T49-L51 VanDerWaalsContact C-N 3.34Å; T49-L51 PolarHBondContact O-N 3.26Å; L51-R54 PolarHBondContact O-N 3.02Å; L51-L55 HydrophobicContact CD1-CD2 4.29Å; L51-L55 VanDerWaalsContact O-CB 3.25Å; L51-L55 WeakPolarHBondContact O-CB 3.31Å; L51-L55 PolarHBondContact O-N 3.48Å; L51-W64 HydrophobicContact CD2-CH2 4.02Å; L51-W64 HydrophobicContact CG-CH2 3.97Å; L51-W64 HydrophobicContact CG-CZ2 4.29Å; L51-I170 HydrophobicContact CD2-CB 4.41Å; L51-I170 HydrophobicContact CD2-CG1 4.29Å; L51-I170 HydrophobicContact CD2-CG2 4.36Å
52K95.1Very high92.6Very high61 Ų6167.5 Ų67.527%0.26532%0.317SS..Hα-helixtrans-61.5-48.6178.3178.116869.4179.40112.2Y48 T49 R54 L55 W64 D68Y48-K52 WeakPolarHBondContact O-CB 3.48Å; Y48-K52 PolarHBondContact O-N 3.42Å; T49-K52 PolarHBondContact O-N 2.66Å; K52-R54 PolarHBondContact O-N 3.03Å; K52-L55 PolarHBondContact O-N 3.37Å; K52-W64 HydrophobicContact CB-CD2 4.48Å; K52-W64 HydrophobicContact CB-CG 4.49Å; K52-W64 HydrophobicContact CD-CB 3.82Å; K52-W64 HydrophobicContact CD-CG 3.95Å; K52-W64 HydrophobicContact CG-CB 4.27Å; K52-W64 HydrophobicContact CG-CD2 4.34Å; K52-W64 HydrophobicContact CG-CG 3.85Å; K52-D68 IonicContact NZ-OD1 3.53Å; K52-D68 PolarHBondContact NZ-OD1 3.27Å; K52-D68 IonicContact NZ-OD2 3.54Å; K52-D68 PolarHBondContact NZ-OD2 3.3Å
53E95.1Very high93.2Very high128 Ų12860 Ų6060%0.59829%0.285SS*.Hα-helixtrans-57.8-43.6177.7-73.9168.1174.900112.7T49T49-E53 WeakPolarHBondContact O-CB 3.36Å; T49-E53 VanDerWaalsContact O-CG 3.28Å; T49-E53 WeakPolarHBondContact O-CG 3.37Å; T49-E53 PolarHBondContact O-N 3.32Å
54R95.8Very high93.4Very high113 Ų11358.3 Ų58.343%0.42628%0.275SS..Hα-helixtrans-87.6-14.3-174.1-62.4178.5-172.1-1762.4113.8L37 Q38 K50 L51 K52L37-R54 HydrophobicContact CB-CB 4.47Å; L37-R54 HydrophobicContact CD2-CB 4.16Å; L37-R54 WeakPolarHBondContact CD2-O 3.37Å; L37-R54 WeakPolarHBondContact O-CD 3.43Å; L37-R54 PolarHBondContact O-NH1 2.92Å; Q38-R54 VanDerWaalsContact C-NH1 3.33Å; Q38-R54 PolarHBondContact O-NH1 3.16Å; K50-R54 VanDerWaalsContact O-CB 3.32Å; K50-R54 WeakPolarHBondContact O-CB 3.46Å; K50-R54 WeakPolarHBondContact O-CG 3.35Å; K50-R54 PolarHBondContact O-N 3.33Å; K50-R54 VanDerWaalsContact O-N 3.15Å; L51-R54 PolarHBondContact O-N 3.02Å; K52-R54 PolarHBondContact O-N 3.03Å
55L94.7Very high93.8Very high0 Ų059.8 Ų59.80%029%0.29CS..  trans-111.163.5177.1-167.656000111.2F14 L33 L37 L51 K52 Y57 A60 W64F14-L55 HydrophobicContact CB-CD2 3.99Å; F14-L55 HydrophobicContact CD2-CD2 3.51Å; F14-L55 HydrophobicContact CE2-CD2 4.09Å; F14-L55 HydrophobicContact CG-CD2 3.8Å; L33-L55 HydrophobicContact CD1-CD2 4.31Å; L33-L55 HydrophobicContact CD2-CD2 4.15Å; L37-L55 HydrophobicContact CD1-CB 3.96Å; L37-L55 HydrophobicContact CD1-CD1 4.48Å; L37-L55 HydrophobicContact CD1-CD2 4.34Å; L37-L55 HydrophobicContact CD1-CG 4.5Å; L51-L55 HydrophobicContact CD1-CD2 4.29Å; L51-L55 VanDerWaalsContact O-CB 3.25Å; L51-L55 WeakPolarHBondContact O-CB 3.31Å; L51-L55 PolarHBondContact O-N 3.48Å; K52-L55 PolarHBondContact O-N 3.37Å; L55-Y57 PolarHBondContact O-N 3.13Å; L55-A60 HydrophobicContact CD2-CB 4.38Å; L55-A60 HydrophobicContact CG-CB 4.28Å; L55-W64 HydrophobicContact CB-CZ2 4.29Å; L55-W64 HydrophobicContact CD2-CZ2 4.09Å; L55-W64 HydrophobicContact CG-CZ2 4.45Å
56N88.4Confident94.2Very high116 Ų11658.7 Ų58.762%0.6228%0.275SS*.  trans-71.875.5170.8-17415000110.9K61N56-K61 WeakPolarHBondContact OD1-CE 3.24Å
57Y93.5Very high94.4Very high27 Ų2755.4 Ų55.411%0.10626%0.258CS..  trans-126.7131.9178.4-176.6-146.2000110.1H11 F14 D15 L55 K59 A60 K61H11-Y57 HydrophobicContact CB-CD1 3.93Å; H11-Y57 HydrophobicContact CB-CD2 4.08Å; H11-Y57 HydrophobicContact CB-CE1 3.97Å; H11-Y57 HydrophobicContact CB-CE2 4.15Å; H11-Y57 HydrophobicContact CB-CG 3.98Å; H11-Y57 AromaticContact CE1-CD2 3.85Å; H11-Y57 AromaticContact CG-CD2 3.69Å; H11-Y57 AromaticContact CG-CG 3.63Å; H11-Y57 AromaticContact ND1-CD2 3.28Å; H11-Y57 VanDerWaalsContact ND1-CD2 3.28Å; H11-Y57 WeakPolarHBondContact ND1-CD2 3.47Å; H11-Y57 AromaticContact ND1-CE2 3.84Å; H11-Y57 AromaticContact ND1-CG 3.67Å; F14-Y57 AromaticContact CD1-CD1 3.94Å; F14-Y57 HydrophobicContact CD1-CD1 3.94Å; F14-Y57 HydrophobicContact CD1-CE1 4.25Å; D15-Y57 PolarHBondContact OD2-OH 3.49Å; L55-Y57 PolarHBondContact O-N 3.13Å; Y57-K59 VanDerWaalsContact C-N 3.33Å; Y57-K59 HydrophobicContact CD1-CB 4.06Å; Y57-K59 HydrophobicContact CE1-CB 3.79Å; Y57-K59 HydrophobicContact CE1-CD 3.75Å; Y57-K59 HydrophobicContact CE1-CG 3.95Å; Y57-K59 HydrophobicContact CE2-CG 4.47Å; Y57-K59 PolarHBondContact O-N 3.5Å; Y57-K59 WeakPolarHBondContact OH-CD 3.35Å; Y57-K59 WeakPolarHBondContact OH-CE 3.11Å; Y57-K59 PolarHBondContact OH-NZ 2.78Å; Y57-A60 CarbonylContact O-C 3.31Å; Y57-A60 WeakPolarHBondContact O-CA 3.13Å; Y57-A60 WeakPolarHBondContact O-CB 3.24Å; Y57-A60 PolarHBondContact O-N 3.08Å; Y57-K61 PolarHBondContact O-N 3.47Å
58W89Confident94.5Very high181 Ų18157.6 Ų57.669%0.68627%0.27SS*.Hα-helixtrans-57.1-41.1-173.166.6-101.3000113.4A60 K61W58-A60 PolarHBondContact O-N 3.36Å; W58-K61 WeakPolarHBondContact O-CB 3.43Å; W58-K61 PolarHBondContact O-N 3.02Å
59K90Very high94.5Very high67 Ų6763.1 Ų63.129%0.29129%0.294SS..Hα-helixtrans-61.9-31.4174.2-64.2-174.6-172.3160.80113.2D15 Y57D15-K59 WeakPolarHBondContact OD1-CD 3.45Å; D15-K59 IonicContact OD1-NZ 2.74Å; D15-K59 PolarHBondContact OD1-NZ 3.5Å; D15-K59 IonicContact OD2-NZ 3.76Å; D15-K59 PolarHBondContact OD2-NZ 2.89Å; Y57-K59 VanDerWaalsContact C-N 3.33Å; Y57-K59 HydrophobicContact CD1-CB 4.06Å; Y57-K59 HydrophobicContact CE1-CB 3.79Å; Y57-K59 HydrophobicContact CE1-CD 3.75Å; Y57-K59 HydrophobicContact CE1-CG 3.95Å; Y57-K59 HydrophobicContact CE2-CG 4.47Å; Y57-K59 PolarHBondContact O-N 3.5Å; Y57-K59 WeakPolarHBondContact OH-CD 3.35Å; Y57-K59 WeakPolarHBondContact OH-CE 3.11Å; Y57-K59 PolarHBondContact OH-NZ 2.78Å
60A94.5Very high94.6Very high0 Ų060.1 Ų60.10%028%0.276CS..Hα-helixtrans-79.8-37.7179.100000111.5F14 L55 Y57 W58 A62 V63 W64F14-A60 HydrophobicContact CD1-CB 4.28Å; F14-A60 HydrophobicContact CE1-CB 3.7Å; F14-A60 HydrophobicContact CE2-CB 4.37Å; F14-A60 HydrophobicContact CZ-CB 3.75Å; L55-A60 HydrophobicContact CD2-CB 4.38Å; L55-A60 HydrophobicContact CG-CB 4.28Å; Y57-A60 CarbonylContact O-C 3.31Å; Y57-A60 WeakPolarHBondContact O-CA 3.13Å; Y57-A60 WeakPolarHBondContact O-CB 3.24Å; Y57-A60 PolarHBondContact O-N 3.08Å; W58-A60 PolarHBondContact O-N 3.36Å; A60-A62 VanDerWaalsContact C-N 3.25Å; A60-A62 PolarHBondContact O-N 3.09Å; A60-V63 WeakPolarHBondContact O-CA 3.35Å; A60-V63 WeakPolarHBondContact O-CB 3.33Å; A60-V63 PolarHBondContact O-N 2.85Å; A60-W64 HydrophobicContact CB-CZ2 3.78Å; A60-W64 VanDerWaalsContact O-CD2 3.3Å; A60-W64 PolarHBondContact O-N 2.83Å
61K94Very high94.5Very high117 Ų11758.5 Ų58.551%0.50927%0.274SS..Hα-helixtrans-48.6-46.1173.9-70.1-173.8177.2-176.80112N56 Y57 W58 V63 W64 T65N56-K61 WeakPolarHBondContact OD1-CE 3.24Å; Y57-K61 PolarHBondContact O-N 3.47Å; W58-K61 WeakPolarHBondContact O-CB 3.43Å; W58-K61 PolarHBondContact O-N 3.02Å; K61-V63 PolarHBondContact O-N 3.41Å; K61-W64 WeakPolarHBondContact O-CA 3.44Å; K61-W64 WeakPolarHBondContact O-CB 3.29Å; K61-W64 PolarHBondContact O-N 2.7Å; K61-T65 PolarHBondContact O-N 2.98Å; K61-T65 PolarHBondContact O-OG1 3.41Å; K61-T65 VanDerWaalsContact O-OG1 3.11Å
62A91.1Very high94.5Very high26 Ų2662.6 Ų62.622%0.21530%0.303CS..Hα-helixtrans-66.7-16.6179.800000115A60A60-A62 VanDerWaalsContact C-N 3.25Å; A60-A62 PolarHBondContact O-N 3.09Å
63V95.1Very high94.6Very high3 Ų362.2 Ų62.22%0.01830%0.302CS..Hα-helixtrans-85.5-44.7167.6178.80000109.8A60 K61 T65 K66 L67 K142 F143 I170A60-V63 WeakPolarHBondContact O-CA 3.35Å; A60-V63 WeakPolarHBondContact O-CB 3.33Å; A60-V63 PolarHBondContact O-N 2.85Å; K61-V63 PolarHBondContact O-N 3.41Å; V63-T65 PolarHBondContact O-N 3.17Å; V63-K66 PolarHBondContact O-N 2.98Å; V63-L67 HydrophobicContact CG1-CD1 3.85Å; V63-L67 HydrophobicContact CG1-CG 4.25Å; V63-L67 PolarHBondContact O-N 3.02Å; V63-K142 HydrophobicContact CG2-CB 4.21Å; V63-K142 HydrophobicContact CG2-CG 4.39Å; V63-F143 HydrophobicContact CG1-CE2 4.31Å; V63-F143 HydrophobicContact CG1-CZ 3.86Å; V63-F143 HydrophobicContact CG2-CZ 4.25Å; V63-I170 HydrophobicContact CG1-CD1 4.35Å
64W96.5Very high94.6Very high11 Ų1164.8 Ų64.84%0.04231%0.314CS..Hα-helixtrans-55.3-49.7178.4-53.6158.5000111.9F14 Y48 L51 K52 L55 A60 K61 K66 L67 D68 I170F14-W64 HydrophobicContact CE2-CH2 4.31Å; Y48-W64 AromaticContact CE2-CE3 3.92Å; Y48-W64 HydrophobicContact CE2-CE3 3.92Å; Y48-W64 HydrophobicContact CE2-CZ3 4.12Å; Y48-W64 PolarHBondContact OH-O 2.62Å; L51-W64 HydrophobicContact CD2-CH2 4.02Å; L51-W64 HydrophobicContact CG-CH2 3.97Å; L51-W64 HydrophobicContact CG-CZ2 4.29Å; K52-W64 HydrophobicContact CB-CD2 4.48Å; K52-W64 HydrophobicContact CB-CG 4.49Å; K52-W64 HydrophobicContact CD-CB 3.82Å; K52-W64 HydrophobicContact CD-CG 3.95Å; K52-W64 HydrophobicContact CG-CB 4.27Å; K52-W64 HydrophobicContact CG-CD2 4.34Å; K52-W64 HydrophobicContact CG-CG 3.85Å; L55-W64 HydrophobicContact CB-CZ2 4.29Å; L55-W64 HydrophobicContact CD2-CZ2 4.09Å; L55-W64 HydrophobicContact CG-CZ2 4.45Å; A60-W64 HydrophobicContact CB-CZ2 3.78Å; A60-W64 VanDerWaalsContact O-CD2 3.3Å; A60-W64 PolarHBondContact O-N 2.83Å; K61-W64 WeakPolarHBondContact O-CA 3.44Å; K61-W64 WeakPolarHBondContact O-CB 3.29Å; K61-W64 PolarHBondContact O-N 2.7Å; W64-K66 VanDerWaalsContact C-N 3.3Å; W64-K66 PolarHBondContact O-N 3.4Å; W64-L67 PolarHBondContact O-N 2.83Å; W64-D68 VanDerWaalsContact O-CB 3.22Å; W64-D68 WeakPolarHBondContact O-CB 3.4Å; W64-D68 PolarHBondContact O-N 2.81Å; W64-I170 HydrophobicContact CH2-CG2 4.46Å; W64-I170 HydrophobicContact CZ3-CD1 4.17Å; W64-I170 HydrophobicContact CZ3-CG1 4.31Å; W64-I170 HydrophobicContact CZ3-CG2 3.7Å
65T96.6Very high94.7Very high94 Ų9460.4 Ų60.458%0.57730%0.3SS*.Hα-helixtrans-56-41.7-179.7-53.70000112.8K61 V63 K69K61-T65 PolarHBondContact O-N 2.98Å; K61-T65 PolarHBondContact O-OG1 3.41Å; K61-T65 VanDerWaalsContact O-OG1 3.11Å; V63-T65 PolarHBondContact O-N 3.17Å; T65-K69 VanDerWaalsContact O-CB 3.31Å; T65-K69 WeakPolarHBondContact O-CB 3.35Å; T65-K69 PolarHBondContact O-N 2.96Å
66K96.5Very high94.8Very high56 Ų5660.4 Ų60.424%0.24330%0.3CS..Hα-helixtrans-79.1-35.2-177.2-58.7-171-172.6-78.70112.1V63 W64 R70 E137 D1053V63-K66 PolarHBondContact O-N 2.98Å; W64-K66 VanDerWaalsContact C-N 3.3Å; W64-K66 PolarHBondContact O-N 3.4Å; K66-R70 PolarHBondContact O-N 3.14Å; K66-E137 VanDerWaalsContact CB-O 3.28Å; K66-E137 WeakPolarHBondContact CB-O 3.23Å; K66-D1053 IonicContact NZ-OD1 3.53Å; K66-D1053 PolarHBondContact NZ-OD1 2.96Å; K66-D1053 IonicContact NZ-OD2 2.75Å; K66-D1053 PolarHBondContact NZ-OD2 2.98Å
67L97.2Very high95Very high2 Ų258.2 Ų58.21%0.0129%0.286CS..Hα-helixtrans-69.5-39.5171.2-66.9-178.5000112.7Y48 V63 W64 R70 A71 L138 V167 I170 L171Y48-L67 HydrophobicContact CE2-CD1 4.19Å; V63-L67 HydrophobicContact CG1-CD1 3.85Å; V63-L67 HydrophobicContact CG1-CG 4.25Å; V63-L67 PolarHBondContact O-N 3.02Å; W64-L67 PolarHBondContact O-N 2.83Å; L67-R70 WeakPolarHBondContact O-CB 3.23Å; L67-R70 PolarHBondContact O-N 3.33Å; L67-R70 VanDerWaalsContact O-N 3.16Å; L67-A71 WeakPolarHBondContact O-CB 3.42Å; L67-A71 PolarHBondContact O-N 3.41Å; L67-L138 HydrophobicContact CD2-CD2 4.01Å; L67-V167 HydrophobicContact CD2-CG1 3.99Å; L67-I170 HydrophobicContact CD1-CG2 3.63Å; L67-L171 HydrophobicContact CD1-CD2 4.5Å
68D97.1Very high95Very high49 Ų4964.3 Ų64.326%0.26232%0.315SS..Hα-helixtrans-63.6-42.5175.3-71.3-15.5000111.1Y48 K52 W64 R70 A71 S72Y48-D68 VanDerWaalsContact CE1-OD1 3.27Å; Y48-D68 WeakPolarHBondContact CE1-OD1 3.44Å; Y48-D68 PolarHBondContact OH-OD1 2.97Å; K52-D68 IonicContact NZ-OD1 3.53Å; K52-D68 PolarHBondContact NZ-OD1 3.27Å; K52-D68 IonicContact NZ-OD2 3.54Å; K52-D68 PolarHBondContact NZ-OD2 3.3Å; W64-D68 VanDerWaalsContact O-CB 3.22Å; W64-D68 WeakPolarHBondContact O-CB 3.4Å; W64-D68 PolarHBondContact O-N 2.81Å; D68-R70 PolarHBondContact O-N 3.26Å; D68-A71 PolarHBondContact O-N 2.91Å; D68-S72 WeakPolarHBondContact O-CB 3.44Å; D68-S72 PolarHBondContact O-N 2.72Å; D68-S72 PolarHBondContact O-OG 3.12Å
69K96.7Very high95.2Very high144 Ų14456.9 Ų56.963%0.62630%0.295SS*.Hα-helixtrans-61.3-30.4172.8-179.1176.8177.31790112.8T65 S72T65-K69 VanDerWaalsContact O-CB 3.31Å; T65-K69 WeakPolarHBondContact O-CB 3.35Å; T65-K69 PolarHBondContact O-N 2.96Å; K69-S72 PolarHBondContact O-OG 3.02Å
70R96.3Very high95.5Very high3 Ų359.8 Ų59.81%0.01131%0.308CS..Hα-helixtrans-74.4-49.8172.1-164.276.3-1741708.4110.5K66 L67 D68 S72 Q73 Y76 L105 E137 Y456K66-R70 PolarHBondContact O-N 3.14Å; L67-R70 WeakPolarHBondContact O-CB 3.23Å; L67-R70 PolarHBondContact O-N 3.33Å; L67-R70 VanDerWaalsContact O-N 3.16Å; D68-R70 PolarHBondContact O-N 3.26Å; R70-S72 VanDerWaalsContact C-N 3.26Å; R70-S72 PolarHBondContact O-N 3.38Å; R70-Q73 WeakPolarHBondContact O-CG 3.25Å; R70-Q73 PolarHBondContact O-N 2.91Å; R70-Y76 VanDerWaalsContact O-CD2 3.28Å; R70-Y76 WeakPolarHBondContact O-CD2 3.42Å; R70-Y76 WeakPolarHBondContact O-CE2 3.32Å; R70-L105 HydrophobicContact CG-CD1 3.81Å; R70-E137 IonicContact CZ-OE2 3.63Å; R70-E137 IonicContact NH1-OE2 2.74Å; R70-E137 PolarHBondContact NH1-OE2 2.63Å; R70-Y456 PolarHBondContact NH1-O 3.5Å; R70-Y456 PolarHBondContact NH2-O 3.39Å
71A95.8Very high95.5Very high29 Ų2960.1 Ų60.124%0.2431%0.311CS..Hα-helixtrans-65-23.7-177.200000114.4L67 D68 L105L67-A71 WeakPolarHBondContact O-CB 3.42Å; L67-A71 PolarHBondContact O-N 3.41Å; D68-A71 PolarHBondContact O-N 2.91Å; A71-L105 HydrophobicContact CB-CD2 3.87Å
72S96.4Very high95.6Very high88 Ų8854.6 Ų54.662%0.61529%0.287SS*.THydrogen-bonded Turntrans-80.6-8.1179.864.90000115D68 K69 R70D68-S72 WeakPolarHBondContact O-CB 3.44Å; D68-S72 PolarHBondContact O-N 2.72Å; D68-S72 PolarHBondContact O-OG 3.12Å; K69-S72 PolarHBondContact O-OG 3.02Å; R70-S72 VanDerWaalsContact C-N 3.26Å; R70-S72 PolarHBondContact O-N 3.38Å
73Q96.2Very high95.8Very high52 Ų5255.5 Ų55.524%0.24329%0.294CS..SBendtrans-62.5137.6175.8-57.9175.51.400110.7R70 V75 Y76 S457R70-Q73 WeakPolarHBondContact O-CG 3.25Å; R70-Q73 PolarHBondContact O-N 2.91Å; Q73-V75 HydrophobicContact CB-CG2 4.13Å; Q73-V75 PolarHBondContact O-N 3.31Å; Q73-Y76 HydrophobicContact CB-CD2 3.87Å; Q73-Y76 HydrophobicContact CB-CE2 3.7Å; Q73-Y76 HydrophobicContact CG-CE2 4.18Å; Q73-Y76 WeakPolarHBondContact O-CD2 3.46Å; Q73-Y76 PolarHBondContact O-N 3.41Å; Q73-S457 PolarHBondContact OE1-OG 3.24Å
74E96.1Very high95.7Very high182 Ų18263.7 Ų63.785%0.8533%0.332SS*.G310 helixtrans-52-35-171.9-59.7-175.2154.100113.9Y76 E77E74-Y76 PolarHBondContact O-N 2.64Å; E74-Y76 VanDerWaalsContact O-N 3.14Å; E74-E77 WeakPolarHBondContact O-CG 3.43Å; E74-E77 PolarHBondContact O-N 3.06Å
75V96Very high95.8Very high22 Ų2263.8 Ų63.813%0.13333%0.333CS..G310 helixtrans-57.2-26.7-179.3-61.30000114.3Q73 W416 R419 S457 I458Q73-V75 HydrophobicContact CB-CG2 4.13Å; Q73-V75 PolarHBondContact O-N 3.31Å; V75-W416 HydrophobicContact CG1-CZ3 4.43Å; V75-R419 WeakPolarHBondContact O-CD 3.4Å; V75-R419 PolarHBondContact O-NE 3.29Å; V75-S457 WeakPolarHBondContact CG2-OG 3.38Å; V75-I458 HydrophobicContact CB-CD1 4.07Å; V75-I458 HydrophobicContact CB-CG1 3.83Å; V75-I458 HydrophobicContact CG1-CG1 4.36Å; V75-I458 HydrophobicContact CG2-CD1 4.07Å; V75-I458 HydrophobicContact CG2-CG1 3.63Å
76Y96.9Very high95.9Very high0 Ų063 Ų630%032%0.322CS..G310 helixtrans-87.9-11.7179.3-52-66.6000112.9R70 Q73 E74 Q78 G79 K80 E102 L105 L106 I458R70-Y76 VanDerWaalsContact O-CD2 3.28Å; R70-Y76 WeakPolarHBondContact O-CD2 3.42Å; R70-Y76 WeakPolarHBondContact O-CE2 3.32Å; Q73-Y76 HydrophobicContact CB-CD2 3.87Å; Q73-Y76 HydrophobicContact CB-CE2 3.7Å; Q73-Y76 HydrophobicContact CG-CE2 4.18Å; Q73-Y76 WeakPolarHBondContact O-CD2 3.46Å; Q73-Y76 PolarHBondContact O-N 3.41Å; E74-Y76 PolarHBondContact O-N 2.64Å; E74-Y76 VanDerWaalsContact O-N 3.14Å; Y76-Q78 PolarHBondContact O-N 3.23Å; Y76-G79 WeakPolarHBondContact O-CA 3.34Å; Y76-G79 PolarHBondContact O-N 2.91Å; Y76-K80 PolarHBondContact O-N 3.33Å; Y76-E102 WeakPolarHBondContact CE1-OE2 3.38Å; Y76-E102 PolarHBondContact OH-OE2 3.37Å; Y76-E102 VanDerWaalsContact OH-OE2 3.07Å; Y76-L105 HydrophobicContact CD1-CB 3.75Å; Y76-L105 HydrophobicContact CE1-CB 3.95Å; Y76-L105 HydrophobicContact CE1-CD1 4.43Å; Y76-L105 HydrophobicContact CG-CB 4.23Å; Y76-L106 HydrophobicContact CD1-CD2 4.1Å; Y76-L106 HydrophobicContact CD1-CG 4.09Å; Y76-I458 HydrophobicContact CD1-CD1 4.41Å; Y76-I458 HydrophobicContact CE1-CD1 4.05Å; Y76-I458 HydrophobicContact CE1-CG1 4.28Å; Y76-I458 HydrophobicContact CE1-CG2 4.44Å
77E94.5Very high96Very high69 Ų6960.3 Ų60.332%0.32231%0.31SS..THydrogen-bonded Turntrans51.539.5-179.7-61.6172.5-154.300112.8E74 G79 K80 A81 R419 M423E74-E77 WeakPolarHBondContact O-CG 3.43Å; E74-E77 PolarHBondContact O-N 3.06Å; E77-G79 VanDerWaalsContact C-N 3.31Å; E77-G79 PolarHBondContact O-N 2.94Å; E77-K80 HydrophobicContact CB-CB 4.46Å; E77-K80 VanDerWaalsContact O-CB 3.26Å; E77-K80 WeakPolarHBondContact O-CB 3.44Å; E77-K80 WeakPolarHBondContact O-CD 3.41Å; E77-K80 WeakPolarHBondContact O-CG 3.43Å; E77-K80 PolarHBondContact O-N 3.34Å; E77-A81 HydrophobicContact CB-CB 4.14Å; E77-A81 HydrophobicContact CG-CB 4.25Å; E77-R419 IonicContact OE1-CZ 3.51Å; E77-R419 IonicContact OE1-NE 3.43Å; E77-R419 IonicContact OE1-NH2 3.47Å; E77-R419 PolarHBondContact OE1-NH2 3.42Å; E77-M423 VanDerWaalsContact OE1-CE 3.24Å; E77-M423 WeakPolarHBondContact OE1-CE 3.21Å
78Q93.2Very high96Very high155 Ų15560.3 Ų60.372%0.72431%0.31SS*.THydrogen-bonded Turntrans58.537.5-174.2-51.7171.3-19.100113.4Y76Y76-Q78 PolarHBondContact O-N 3.23Å
79G93.1Very high96.1Very high26 Ų2658 Ų5827%0.26830%0.298SS..THydrogen-bonded Turntrans73.927.8-178.100000113.9Y76 E77 L105 G107Y76-G79 WeakPolarHBondContact O-CA 3.34Å; Y76-G79 PolarHBondContact O-N 2.91Å; E77-G79 VanDerWaalsContact C-N 3.31Å; E77-G79 PolarHBondContact O-N 2.94Å; G79-L105 WeakPolarHBondContact CA-O 3.48Å; G79-G107 WeakPolarHBondContact O-CA 3.28Å
80K95Very high96.2Very high128 Ų12852 Ų5256%0.55727%0.272SS*.THydrogen-bonded Turntrans-110.6-23.4-177.2-61.8165.3-170.8161.40113.4Y76 E77 C82 A83Y76-K80 PolarHBondContact O-N 3.33Å; E77-K80 HydrophobicContact CB-CB 4.46Å; E77-K80 VanDerWaalsContact O-CB 3.26Å; E77-K80 WeakPolarHBondContact O-CB 3.44Å; E77-K80 WeakPolarHBondContact O-CD 3.41Å; E77-K80 WeakPolarHBondContact O-CG 3.43Å; E77-K80 PolarHBondContact O-N 3.34Å; K80-C82 PolarHBondContact O-N 3.46Å; K80-C82 VanDerWaalsContact O-N 3.09Å; K80-A83 PolarHBondContact O-N 2.97Å
81A95.2Very high96.2Very high7 Ų752.1 Ų52.16%0.05828%0.275CS..THydrogen-bonded Turntrans-58.1-26.6-173.100000114.6E77 L106 R419 G422E77-A81 HydrophobicContact CB-CB 4.14Å; E77-A81 HydrophobicContact CG-CB 4.25Å; A81-L106 HydrophobicContact CB-CD2 3.89Å; A81-R419 HydrophobicContact CB-CG 4.21Å; A81-G422 CarbonylContact O-C 3.54Å
82C96.8Very high96.3Very high1 Ų150.7 Ų50.71%0.00726%0.263CS..THydrogen-bonded Turntrans-130.622.5176.9-60.70000113.5K80 Q84 N85 L106 A108 V418K80-C82 PolarHBondContact O-N 3.46Å; K80-C82 VanDerWaalsContact O-N 3.09Å; C82-Q84 PolarHBondContact O-N 3.41Å; C82-N85 WeakPolarHBondContact CA-OD1 3.48Å; C82-N85 HydrophobicContact CB-CB 4.29Å; C82-N85 WeakPolarHBondContact O-CB 3.31Å; C82-N85 PolarHBondContact O-N 2.96Å; C82-N85 PolarHBondContact O-OD1 3.34Å; C82-L106 HydrophobicContact CB-CB 3.95Å; C82-L106 PolarHBondContact N-O 2.71Å; C82-A108 HydrophobicContact CB-CB 3.95Å; C82-A108 WeakPolarHBondContact O-CA 3.48Å; C82-V418 PolarHBondContact SG-O 3.22Å
83A94.4Very high96.4Very high44 Ų4447.2 Ų47.236%0.36424%0.241SC..THydrogen-bonded Turntrans-62.3-15.2-172.700000115.5K80 G107K80-A83 PolarHBondContact O-N 2.97Å; A83-G107 WeakPolarHBondContact CA-O 3.31Å
84Q94.2Very high96.5Very high175 Ų17545.2 Ų45.282%0.81823%0.232SC*.THydrogen-bonded Turntrans-89.8-19.6173.7-66.2-73.5-37.300113.1C82C82-Q84 PolarHBondContact O-N 3.41Å
85N97.3Very high96.6Very high13 Ų1336.9 Ų36.97%0.0719%0.194CC..  trans-86147.7-168.1-59.196.2000112.4C82 A108 Q109 D210 G422C82-N85 WeakPolarHBondContact CA-OD1 3.48Å; C82-N85 HydrophobicContact CB-CB 4.29Å; C82-N85 WeakPolarHBondContact O-CB 3.31Å; C82-N85 PolarHBondContact O-N 2.96Å; C82-N85 PolarHBondContact O-OD1 3.34Å; N85-A108 HydrophobicContact CB-CB 4.39Å; N85-Q109 PolarHBondContact O-N 3.05Å; N85-D210 WeakPolarHBondContact CA-OD2 3.4Å; N85-D210 PolarHBondContact ND2-OD1 2.97Å; N85-G422 WeakPolarHBondContact OD1-CA 3.47Å
86K98.3Very high96.7Very high78 Ų7835.9 Ų35.934%0.33919%0.188SC..EExtended strand (participates in β ladder)trans-122.2116.7179-61.6-164.9-179.1-137.30108.8Q109 F207 Q208 F209 D210 V211K86-Q109 HydrophobicContact CG-CB 4.19Å; K86-F207 HydrophobicContact CB-CZ 3.92Å; K86-F207 HydrophobicContact CD-CE2 4.38Å; K86-Q208 WeakPolarHBondContact CB-O 3.46Å; K86-Q208 VanDerWaalsContact CD-O 3.29Å; K86-Q208 WeakPolarHBondContact CD-O 3.4Å; K86-F209 HydrophobicContact CB-CB 4.34Å; K86-F209 WeakPolarHBondContact O-CA 3.45Å; K86-F209 VanDerWaalsContact O-CB 3.23Å; K86-F209 WeakPolarHBondContact O-CB 3.32Å; K86-D210 PolarHBondContact N-OD2 3.38Å; K86-D210 PolarHBondContact O-N 3.26Å; K86-V211 PolarHBondContact O-N 2.91Å; K86-V211 VanDerWaalsContact O-N 3.12Å
87C98.7Very high96.8Very high0 Ų035.9 Ų35.90%019%0.188CC..EExtended strand (participates in β ladder)trans-112.1121.9-169.5-65.30000110.1L103 Q109 V110 V111 V211C87-L103 HydrophobicContact CB-CD1 3.99Å; C87-Q109 PolarHBondContact N-O 2.94Å; C87-V110 HydrophobicContact CB-CG2 4.39Å; C87-V111 PolarHBondContact O-N 3.31Å; C87-V211 WeakPolarHBondContact CA-O 3.36Å; C87-V211 HydrophobicContact CB-CB 4.42Å
88L98.8Very high97Very high2 Ų232.6 Ų32.61%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-100120.5166.8-174.168.9000109.7V111 L113 A195 F207 F209 V211 F212 I213L88-V111 WeakPolarHBondContact CA-O 3.33Å; L88-V111 HydrophobicContact CD1-CB 4.11Å; L88-V111 HydrophobicContact CD1-CG1 4Å; L88-L113 HydrophobicContact CD1-CD1 3.85Å; L88-L113 HydrophobicContact CD1-CD2 4.48Å; L88-L113 HydrophobicContact CD1-CG 3.83Å; L88-L113 HydrophobicContact CD2-CD1 4.21Å; L88-L113 HydrophobicContact CG-CD1 4.41Å; L88-A195 HydrophobicContact CD2-CB 3.67Å; L88-F207 HydrophobicContact CB-CE1 4.5Å; L88-F207 HydrophobicContact CD1-CD1 4.31Å; L88-F209 HydrophobicContact CB-CB 4.3Å; L88-F209 HydrophobicContact CB-CD1 3.85Å; L88-F209 HydrophobicContact CB-CD2 4.13Å; L88-F209 HydrophobicContact CB-CE1 4.16Å; L88-F209 HydrophobicContact CB-CE2 4.44Å; L88-F209 HydrophobicContact CB-CG 3.84Å; L88-F209 HydrophobicContact CB-CZ 4.45Å; L88-F209 HydrophobicContact CD2-CD1 4.01Å; L88-F209 HydrophobicContact CD2-CE1 3.46Å; L88-F209 VanDerWaalsContact CD2-CE1 3.46Å; L88-F209 HydrophobicContact CD2-CE2 4.34Å; L88-F209 HydrophobicContact CD2-CZ 3.67Å; L88-F209 HydrophobicContact CG-CD1 4.47Å; L88-F209 HydrophobicContact CG-CE1 4.38Å; L88-V211 PolarHBondContact N-O 3.4Å; L88-F212 HydrophobicContact CB-CD2 4.11Å; L88-F212 HydrophobicContact CD2-CD2 4Å; L88-F212 HydrophobicContact CD2-CE2 4.12Å; L88-F212 HydrophobicContact CG-CD2 4.15Å; L88-F212 HydrophobicContact CG-CE2 4.44Å; L88-F212 CarbonylContact O-C 3.6Å; L88-F212 WeakPolarHBondContact O-CA 3.16Å; L88-F212 WeakPolarHBondContact O-CD2 3.48Å; L88-I213 PolarHBondContact O-N 2.89Å
89V98.7Very high97.3Very high0 Ų025.2 Ų25.20%014%0.138CC..EExtended strand (participates in β ladder)trans-106.5128.9175.8-175.70000109.7A100 L103 V110 V111 L112 L113 I213V89-A100 HydrophobicContact CG2-CB 4.35Å; V89-L103 HydrophobicContact CG2-CD1 4.08Å; V89-V110 HydrophobicContact CG2-CG1 3.87Å; V89-V111 PolarHBondContact N-O 3.45Å; V89-L112 HydrophobicContact CB-CB 4.28Å; V89-L112 HydrophobicContact CB-CD1 4.04Å; V89-L112 HydrophobicContact CB-CG 4.05Å; V89-L112 HydrophobicContact CG1-CD1 3.79Å; V89-L112 HydrophobicContact CG1-CG 4.16Å; V89-L112 CarbonylContact O-C 3.58Å; V89-L112 WeakPolarHBondContact O-CA 3.38Å; V89-L113 PolarHBondContact O-N 3.12Å; V89-I213 HydrophobicContact CG1-CB 4.45Å; V89-I213 HydrophobicContact CG2-CB 4.26Å; V89-I213 HydrophobicContact CG2-CG1 4.38Å
90L97.9Very high97.5Very high17 Ų1724 Ų249%0.08913%0.126CC..EExtended strand (participates in β ladder)trans-105.4117.6178.1176.760000111.3L113 Y181 F212 I213 A215 G216 F220L90-L113 HydrophobicContact CD1-CB 4.41Å; L90-Y181 HydrophobicContact CD1-CG 4.28Å; L90-Y181 HydrophobicContact CD2-CD1 3.68Å; L90-Y181 HydrophobicContact CD2-CE1 4.29Å; L90-Y181 HydrophobicContact CD2-CG 3.89Å; L90-F212 HydrophobicContact CB-CE2 3.96Å; L90-F212 HydrophobicContact CB-CZ 4.3Å; L90-F212 HydrophobicContact CD2-CE2 4.46Å; L90-F212 HydrophobicContact CD2-CZ 4.06Å; L90-I213 PolarHBondContact N-O 3.44Å; L90-A215 CarbonylContact O-C 3.54Å; L90-A215 VanDerWaalsContact O-CA 3.27Å; L90-A215 WeakPolarHBondContact O-CA 3.36Å; L90-A215 WeakPolarHBondContact O-CB 3.4Å; L90-A215 PolarHBondContact O-N 3.09Å; L90-G216 PolarHBondContact O-N 2.9Å; L90-F220 HydrophobicContact CD2-CD1 3.68Å; L90-F220 HydrophobicContact CD2-CE1 3.38Å; L90-F220 HydrophobicContact CD2-CZ 4.16Å
91G97.3Very high97.7Very high6 Ų617.9 Ų17.96%0.06210%0.099CC..  trans102.9122.5178.400000112.7G93 L113G91-G93 PolarHBondContact O-N 3.21Å; G91-L113 PolarHBondContact N-O 3.49Å
92A97.9Very high97.9Very high0 Ų017.5 Ų17.50%010%0.096CC..  trans-87.425.317100000112.2L97 L112 E114 F119 Q161A92-L97 HydrophobicContact CB-CD1 4.46Å; A92-L97 HydrophobicContact CB-CD2 4.13Å; A92-L97 HydrophobicContact CB-CG 4.26Å; A92-L97 WeakPolarHBondContact O-CD1 3.31Å; A92-L112 HydrophobicContact CB-CD2 3.7Å; A92-E114 HydrophobicContact CB-CB 3.64Å; A92-E114 HydrophobicContact CB-CG 3.85Å; A92-E114 PolarHBondContact N-OE2 3.29Å; A92-F119 HydrophobicContact CB-CE1 3.81Å; A92-F119 HydrophobicContact CB-CZ 3.95Å; A92-Q161 PolarHBondContact O-NE2 3.44Å
93G97.3Very high98Very high14 Ų1417.5 Ų17.514%0.14410%0.096CC..SBendtrans-63.7162.7166.600000111.1G91 C95 G96 L97G91-G93 PolarHBondContact O-N 3.21Å; G93-C95 VanDerWaalsContact C-N 3.29Å; G93-C95 PolarHBondContact O-N 3.34Å; G93-C95 VanDerWaalsContact O-N 3.16Å; G93-G96 PolarHBondContact O-N 2.83Å; G93-L97 PolarHBondContact O-N 3.01Å
94P98.4Very high98.2Very high10 Ų1016.5 Ų16.57%0.0659%0.086CC..Hα-helixtrans-49.8-45.8-176.3-3137.5000113.9G96 R98 L160 Q161 L164 I404 F408P94-G96 PolarHBondContact O-N 2.82Å; P94-R98 WeakPolarHBondContact O-CB 3.32Å; P94-R98 PolarHBondContact O-N 3.23Å; P94-L160 HydrophobicContact CB-CD2 3.72Å; P94-L160 HydrophobicContact CB-CG 4Å; P94-L160 HydrophobicContact CG-CD2 3.93Å; P94-L160 HydrophobicContact CG-CG 4.16Å; P94-Q161 HydrophobicContact CG-CG 3.96Å; P94-L164 HydrophobicContact CB-CD1 4.12Å; P94-L164 WeakPolarHBondContact O-CD1 3.24Å; P94-I404 HydrophobicContact CB-CD1 3.7Å; P94-I404 HydrophobicContact CG-CD1 4.09Å; P94-F408 HydrophobicContact CB-CE1 4.43Å
95C98.4Very high98.3Very high8 Ų88.7 Ų8.75%0.0545%0.05CC..Hα-helixtrans-70.9-31.8-178-40.60000112.9G93 T99 V389 S411G93-C95 VanDerWaalsContact C-N 3.29Å; G93-C95 PolarHBondContact O-N 3.34Å; G93-C95 VanDerWaalsContact O-N 3.16Å; C95-T99 WeakPolarHBondContact O-CB 3.27Å; C95-T99 PolarHBondContact O-N 2.98Å; C95-T99 PolarHBondContact O-OG1 3.26Å; C95-V389 HydrophobicContact CB-CG1 3.9Å; C95-S411 PolarHBondContact O-OG 3.23Å
96G98.4Very high98.4Very high0 Ų08 Ų80%05%0.047CC..Hα-helixtrans-69.4-49175.100000111.8G93 P94 R98 T99 A100 A215G93-G96 PolarHBondContact O-N 2.83Å; P94-G96 PolarHBondContact O-N 2.82Å; G96-R98 VanDerWaalsContact C-N 3.35Å; G96-R98 PolarHBondContact O-N 2.72Å; G96-T99 PolarHBondContact O-N 2.74Å; G96-A100 WeakPolarHBondContact O-CB 3.16Å; G96-A100 PolarHBondContact O-N 2.81Å; G96-A215 VanDerWaalsContact CA-CB 3.49Å
97L98.8Very high98.3Very high0 Ų05 Ų50%04%0.037CC..Hα-helixtrans-60.6-43.4172.5-65.3167.8000111.3A92 G93 T99 A100 I101 L112 F119 Q161 L164 L165 C168A92-L97 HydrophobicContact CB-CD1 4.46Å; A92-L97 HydrophobicContact CB-CD2 4.13Å; A92-L97 HydrophobicContact CB-CG 4.26Å; A92-L97 WeakPolarHBondContact O-CD1 3.31Å; G93-L97 PolarHBondContact O-N 3.01Å; L97-T99 VanDerWaalsContact C-N 3.32Å; L97-T99 PolarHBondContact O-N 3.27Å; L97-A100 WeakPolarHBondContact O-CB 2.89Å; L97-A100 PolarHBondContact O-N 3.05Å; L97-I101 WeakPolarHBondContact O-CG1 3.22Å; L97-I101 PolarHBondContact O-N 3.27Å; L97-L112 HydrophobicContact CD2-CD1 3.99Å; L97-F119 HydrophobicContact CD1-CZ 4.39Å; L97-Q161 HydrophobicContact CD1-CB 4.27Å; L97-Q161 WeakPolarHBondContact CD1-O 3.46Å; L97-L164 HydrophobicContact CB-CB 3.65Å; L97-L164 HydrophobicContact CB-CD1 4.38Å; L97-L164 HydrophobicContact CD1-CB 3.93Å; L97-L164 HydrophobicContact CG-CB 4.41Å; L97-L165 HydrophobicContact CD1-CB 4.47Å; L97-C168 PolarHBondContact O-SG 3.32Å
98R98.8Very high98.3Very high0 Ų05.1 Ų5.10%04%0.038CC..Hα-helixtrans-63.1-36.1178.4-170.269.4-163.880.1-8.9112.6P94 G96 E102 D134 L164 F408P94-R98 WeakPolarHBondContact O-CB 3.32Å; P94-R98 PolarHBondContact O-N 3.23Å; G96-R98 VanDerWaalsContact C-N 3.35Å; G96-R98 PolarHBondContact O-N 2.72Å; R98-E102 IonicContact CZ-OE1 3.51Å; R98-E102 IonicContact NH1-OE1 3.22Å; R98-E102 PolarHBondContact NH1-OE1 2.73Å; R98-E102 IonicContact NH2-OE1 2.8Å; R98-E102 PolarHBondContact NH2-OE1 2.6Å; R98-D134 IonicContact CZ-OD1 3.23Å; R98-D134 IonicContact CZ-OD2 2.63Å; R98-D134 IonicContact NE-OD1 3.13Å; R98-D134 IonicContact NE-OD2 2.71Å; R98-D134 PolarHBondContact NE-OD2 3.4Å; R98-D134 IonicContact NH2-OD1 2.64Å; R98-D134 PolarHBondContact NH2-OD1 2.95Å; R98-D134 IonicContact NH2-OD2 2.92Å; R98-D134 PolarHBondContact NH2-OD2 3.44Å; R98-L164 HydrophobicContact CB-CD1 4.47Å; R98-F408 HydrophobicContact CB-CD1 4.09Å; R98-F408 HydrophobicContact CB-CE1 3.75Å; R98-F408 HydrophobicContact CB-CZ 4.03Å; R98-F408 HydrophobicContact CG-CD1 3.84Å; R98-F408 HydrophobicContact CG-CD2 3.88Å; R98-F408 HydrophobicContact CG-CE1 3.78Å; R98-F408 HydrophobicContact CG-CE2 3.84Å; R98-F408 HydrophobicContact CG-CG 3.9Å; R98-F408 HydrophobicContact CG-CZ 3.79Å
99T98.9Very high98.3Very high0 Ų06.4 Ų6.40%04%0.044CC..Hα-helixtrans-70.6-41.7173-53.40000111.4C95 G96 L97 I101 E102 L103 I213 S411 T414C95-T99 WeakPolarHBondContact O-CB 3.27Å; C95-T99 PolarHBondContact O-N 2.98Å; C95-T99 PolarHBondContact O-OG1 3.26Å; G96-T99 PolarHBondContact O-N 2.74Å; L97-T99 VanDerWaalsContact C-N 3.32Å; L97-T99 PolarHBondContact O-N 3.27Å; T99-I101 VanDerWaalsContact C-N 3.26Å; T99-I101 PolarHBondContact O-N 2.87Å; T99-E102 PolarHBondContact O-N 2.92Å; T99-E102 VanDerWaalsContact O-N 3.14Å; T99-L103 HydrophobicContact CG2-CD1 4Å; T99-L103 HydrophobicContact CG2-CG 4.2Å; T99-L103 WeakPolarHBondContact O-CG 3.45Å; T99-L103 PolarHBondContact O-N 3.37Å; T99-I213 HydrophobicContact CG2-CG2 4.19Å; T99-S411 VanDerWaalsContact OG1-CB 3.25Å; T99-S411 WeakPolarHBondContact OG1-CB 3.49Å; T99-S411 PolarHBondContact OG1-OG 3.33Å; T99-T414 HydrophobicContact CG2-CG2 4.39Å
100A98.8Very high98.2Very high0 Ų06.7 Ų6.70%05%0.046CC..Hα-helixtrans-58.8-37.6177.800000112.6V89 G96 L97 L103 S104 V110 L112 V173V89-A100 HydrophobicContact CG2-CB 4.35Å; G96-A100 WeakPolarHBondContact O-CB 3.16Å; G96-A100 PolarHBondContact O-N 2.81Å; L97-A100 WeakPolarHBondContact O-CB 2.89Å; L97-A100 PolarHBondContact O-N 3.05Å; A100-L103 PolarHBondContact O-N 3.09Å; A100-S104 WeakPolarHBondContact O-CB 3.5Å; A100-S104 PolarHBondContact O-N 3.28Å; A100-V110 HydrophobicContact CB-CG1 3.93Å; A100-L112 HydrophobicContact CB-CD1 3.91Å; A100-V173 HydrophobicContact CB-CG1 4.15Å; A100-V173 HydrophobicContact CB-CG2 4.44Å
101I98.8Very high98.3Very high0 Ų05.9 Ų5.90%04%0.042CC..Hα-helixtrans-57.4-52.5172.4-69.7167.4000111.2L97 T99 L103 S104 L105 L138 L164 V167 L171L97-I101 WeakPolarHBondContact O-CG1 3.22Å; L97-I101 PolarHBondContact O-N 3.27Å; T99-I101 VanDerWaalsContact C-N 3.26Å; T99-I101 PolarHBondContact O-N 2.87Å; I101-L103 PolarHBondContact O-N 2.86Å; I101-S104 WeakPolarHBondContact O-CB 3.46Å; I101-S104 PolarHBondContact O-N 3.23Å; I101-L105 HydrophobicContact CG2-CD1 4.11Å; I101-L105 WeakPolarHBondContact O-CG 3.25Å; I101-L105 PolarHBondContact O-N 3.13Å; I101-L138 HydrophobicContact CD1-CD1 4.08Å; I101-L138 HydrophobicContact CG2-CD1 4.43Å; I101-L138 HydrophobicContact CG2-CD2 4.08Å; I101-L164 HydrophobicContact CD1-CB 4.41Å; I101-L164 HydrophobicContact CD1-CD2 3.71Å; I101-V167 HydrophobicContact CD1-CB 3.85Å; I101-V167 HydrophobicContact CD1-CG1 3.69Å; I101-V167 HydrophobicContact CG1-CB 4.42Å; I101-V167 HydrophobicContact CG1-CG1 3.96Å; I101-V167 HydrophobicContact CG2-CG1 4.36Å; I101-L171 HydrophobicContact CB-CD1 4.35Å; I101-L171 HydrophobicContact CG1-CD1 4.37Å; I101-L171 HydrophobicContact CG2-CD1 3.83Å
102E98.8Very high98.3Very high0 Ų05.6 Ų5.60%04%0.039CC..Hα-helixtrans-62.6-40.3179.7-64.5-58.3138.100112.7Y76 R98 T99 S104 L105 L106 F412 A415 I458Y76-E102 WeakPolarHBondContact CE1-OE2 3.38Å; Y76-E102 PolarHBondContact OH-OE2 3.37Å; Y76-E102 VanDerWaalsContact OH-OE2 3.07Å; R98-E102 IonicContact CZ-OE1 3.51Å; R98-E102 IonicContact NH1-OE1 3.22Å; R98-E102 PolarHBondContact NH1-OE1 2.73Å; R98-E102 IonicContact NH2-OE1 2.8Å; R98-E102 PolarHBondContact NH2-OE1 2.6Å; T99-E102 PolarHBondContact O-N 2.92Å; T99-E102 VanDerWaalsContact O-N 3.14Å; E102-S104 VanDerWaalsContact C-N 3.31Å; E102-S104 PolarHBondContact O-N 3.01Å; E102-L105 PolarHBondContact O-N 3.03Å; E102-L106 WeakPolarHBondContact O-CG 3.46Å; E102-L106 PolarHBondContact O-N 2.84Å; E102-F412 HydrophobicContact CG-CD1 4.17Å; E102-F412 HydrophobicContact CG-CE1 4.4Å; E102-A415 HydrophobicContact CB-CB 3.49Å; E102-A415 VanDerWaalsContact CB-CB 3.49Å; E102-A415 HydrophobicContact CG-CB 4.1Å; E102-I458 HydrophobicContact CG-CG2 4.25Å; E102-I458 WeakPolarHBondContact OE2-CG2 3.34Å
103L98.7Very high98.4Very high0 Ų05.6 Ų5.60%04%0.039CC..Hα-helixtrans-66-34.2177-64.8177.9000112.2C87 V89 T99 A100 I101 L106 G107 A108 V110 I213 V418C87-L103 HydrophobicContact CB-CD1 3.99Å; V89-L103 HydrophobicContact CG2-CD1 4.08Å; T99-L103 HydrophobicContact CG2-CD1 4Å; T99-L103 HydrophobicContact CG2-CG 4.2Å; T99-L103 WeakPolarHBondContact O-CG 3.45Å; T99-L103 PolarHBondContact O-N 3.37Å; A100-L103 PolarHBondContact O-N 3.09Å; I101-L103 PolarHBondContact O-N 2.86Å; L103-L106 HydrophobicContact CD2-CD1 4.33Å; L103-G107 PolarHBondContact O-N 3.19Å; L103-A108 WeakPolarHBondContact O-CB 3.44Å; L103-A108 PolarHBondContact O-N 3.01Å; L103-V110 HydrophobicContact CB-CG2 3.59Å; L103-I213 HydrophobicContact CD1-CG1 3.99Å; L103-V418 HydrophobicContact CD2-CB 3.7Å; L103-V418 HydrophobicContact CD2-CG1 3.64Å; L103-V418 HydrophobicContact CD2-CG2 3.93Å
104S98.2Very high98.3Very high23 Ų235.7 Ų5.716%0.1614%0.036CC..Hα-helixtrans-70.1-39.5173.8-1470000111.5A100 I101 E102 L106 G107 L171A100-S104 WeakPolarHBondContact O-CB 3.5Å; A100-S104 PolarHBondContact O-N 3.28Å; I101-S104 WeakPolarHBondContact O-CB 3.46Å; I101-S104 PolarHBondContact O-N 3.23Å; E102-S104 VanDerWaalsContact C-N 3.31Å; E102-S104 PolarHBondContact O-N 3.01Å; S104-L106 VanDerWaalsContact C-N 3.34Å; S104-G107 WeakPolarHBondContact O-CA 3.29Å; S104-G107 PolarHBondContact O-N 2.79Å; S104-L171 PolarHBondContact OG-O 3.35Å
105L98.1Very high98.2Very high11 Ų1111 Ų116%0.0586%0.058CC..Hα-helixtrans-65.8-34.8175-68.6173000112.3R70 A71 Y76 G79 I101 E102 G107 L171R70-L105 HydrophobicContact CG-CD1 3.81Å; A71-L105 HydrophobicContact CB-CD2 3.87Å; Y76-L105 HydrophobicContact CD1-CB 3.75Å; Y76-L105 HydrophobicContact CE1-CB 3.95Å; Y76-L105 HydrophobicContact CE1-CD1 4.43Å; Y76-L105 HydrophobicContact CG-CB 4.23Å; G79-L105 WeakPolarHBondContact CA-O 3.48Å; I101-L105 HydrophobicContact CG2-CD1 4.11Å; I101-L105 WeakPolarHBondContact O-CG 3.25Å; I101-L105 PolarHBondContact O-N 3.13Å; E102-L105 PolarHBondContact O-N 3.03Å; L105-G107 PolarHBondContact O-N 3.36Å; L105-L171 HydrophobicContact CD2-CD1 4.29Å; L105-L171 HydrophobicContact CD2-CD2 4.15Å; L105-L171 HydrophobicContact CG-CD1 4.32Å
106L98.2Very high98Very high0 Ų016.3 Ų16.30%08%0.077CC..THydrogen-bonded Turntrans-67.8-9.9169.8-74165.2000113.9Y76 A81 C82 E102 L103 S104 A415 R419 I458Y76-L106 HydrophobicContact CD1-CD2 4.1Å; Y76-L106 HydrophobicContact CD1-CG 4.09Å; A81-L106 HydrophobicContact CB-CD2 3.89Å; C82-L106 HydrophobicContact CB-CB 3.95Å; C82-L106 PolarHBondContact N-O 2.71Å; E102-L106 WeakPolarHBondContact O-CG 3.46Å; E102-L106 PolarHBondContact O-N 2.84Å; L103-L106 HydrophobicContact CD2-CD1 4.33Å; S104-L106 VanDerWaalsContact C-N 3.34Å; L106-A415 HydrophobicContact CD1-CB 4.21Å; L106-A415 WeakPolarHBondContact CD1-O 3.4Å; L106-R419 HydrophobicContact CD1-CB 4.25Å; L106-R419 HydrophobicContact CD2-CB 3.84Å; L106-R419 HydrophobicContact CD2-CG 3.92Å; L106-I458 HydrophobicContact CD1-CD1 4.35Å; L106-I458 HydrophobicContact CD2-CD1 3.91Å; L106-I458 HydrophobicContact CG-CD1 4.39Å
107G97.1Very high97.8Very high14 Ų1422.2 Ų22.214%0.14410%0.104CC..THydrogen-bonded Turntrans89.36.9178.600000115.9G79 A83 L103 S104 L105G79-G107 WeakPolarHBondContact O-CA 3.28Å; A83-G107 WeakPolarHBondContact CA-O 3.31Å; L103-G107 PolarHBondContact O-N 3.19Å; S104-G107 WeakPolarHBondContact O-CA 3.29Å; S104-G107 PolarHBondContact O-N 2.79Å; L105-G107 PolarHBondContact O-N 3.36Å
108A97.8Very high97.6Very high2 Ų224 Ų242%0.01711%0.113CC..  trans-70.4152.6-179.900000112.2C82 N85 L103 V110C82-A108 HydrophobicContact CB-CB 3.95Å; C82-A108 WeakPolarHBondContact O-CA 3.48Å; N85-A108 HydrophobicContact CB-CB 4.39Å; L103-A108 WeakPolarHBondContact O-CB 3.44Å; L103-A108 PolarHBondContact O-N 3.01Å; A108-V110 HydrophobicContact CB-CG2 4.42Å; A108-V110 PolarHBondContact O-N 3.37Å
109Q98Very high97.5Very high29 Ų2924.3 Ų24.314%0.13611%0.114CC..EExtended strand (participates in β ladder)trans-75.7104.4168.9-169.4175.414.700109.2Y44 N85 K86 C87 F207Y44-Q109 HydrophobicContact CD1-CB 4.28Å; Y44-Q109 HydrophobicContact CD1-CG 3.76Å; Y44-Q109 HydrophobicContact CD2-CB 4.08Å; Y44-Q109 HydrophobicContact CD2-CG 4.25Å; Y44-Q109 HydrophobicContact CE1-CB 3.92Å; Y44-Q109 HydrophobicContact CE1-CG 3.75Å; Y44-Q109 HydrophobicContact CE2-CB 3.71Å; Y44-Q109 HydrophobicContact CE2-CG 4.25Å; Y44-Q109 HydrophobicContact CG-CB 4.37Å; Y44-Q109 HydrophobicContact CG-CG 4.03Å; N85-Q109 PolarHBondContact O-N 3.05Å; K86-Q109 HydrophobicContact CG-CB 4.19Å; C87-Q109 PolarHBondContact N-O 2.94Å; Q109-F207 HydrophobicContact CG-CE2 4.19Å; Q109-F207 HydrophobicContact CG-CZ 4.36Å
110V98.5Very high97.2Very high6 Ų626.4 Ų26.44%0.03613%0.127CC..EExtended strand (participates in β ladder)trans-101.7118.9-176.5-166.60000111.9C87 V89 A100 L103 A108 V173 E174C87-V110 HydrophobicContact CB-CG2 4.39Å; V89-V110 HydrophobicContact CG2-CG1 3.87Å; A100-V110 HydrophobicContact CB-CG1 3.93Å; L103-V110 HydrophobicContact CB-CG2 3.59Å; A108-V110 HydrophobicContact CB-CG2 4.42Å; A108-V110 PolarHBondContact O-N 3.37Å; V110-V173 HydrophobicContact CB-CG1 4.14Å; V110-V173 HydrophobicContact CB-CG2 4.3Å; V110-V173 HydrophobicContact CG1-CG1 3.92Å; V110-E174 PolarHBondContact O-N 3.41Å
111V98.5Very high97Very high1 Ų130.4 Ų30.41%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-109.3132166.9179.30000108.3C87 L88 V89 L113 E174 A204 F207C87-V111 PolarHBondContact O-N 3.31Å; L88-V111 WeakPolarHBondContact CA-O 3.33Å; L88-V111 HydrophobicContact CD1-CB 4.11Å; L88-V111 HydrophobicContact CD1-CG1 4Å; V89-V111 PolarHBondContact N-O 3.45Å; V111-L113 HydrophobicContact CG1-CD2 4.33Å; V111-E174 HydrophobicContact CG2-CB 4.17Å; V111-A204 HydrophobicContact CG1-CB 4.44Å; V111-F207 HydrophobicContact CB-CD1 4Å; V111-F207 HydrophobicContact CB-CE1 3.82Å; V111-F207 HydrophobicContact CB-CZ 4.18Å; V111-F207 HydrophobicContact CG2-CD1 3.81Å; V111-F207 HydrophobicContact CG2-CD2 3.8Å; V111-F207 HydrophobicContact CG2-CE1 3.59Å; V111-F207 HydrophobicContact CG2-CE2 3.59Å; V111-F207 HydrophobicContact CG2-CG 3.91Å; V111-F207 HydrophobicContact CG2-CZ 3.48Å; V111-F207 VanDerWaalsContact CG2-CZ 3.48Å
112L98.6Very high96.8Very high0 Ų031.4 Ų31.40%015%0.147CC..EExtended strand (participates in β ladder)trans-118.8134.8178.5-170.9149.7000111V89 A92 L97 A100 V173 E174 V175 H176V89-L112 HydrophobicContact CB-CB 4.28Å; V89-L112 HydrophobicContact CB-CD1 4.04Å; V89-L112 HydrophobicContact CB-CG 4.05Å; V89-L112 HydrophobicContact CG1-CD1 3.79Å; V89-L112 HydrophobicContact CG1-CG 4.16Å; V89-L112 CarbonylContact O-C 3.58Å; V89-L112 WeakPolarHBondContact O-CA 3.38Å; A92-L112 HydrophobicContact CB-CD2 3.7Å; L97-L112 HydrophobicContact CD2-CD1 3.99Å; A100-L112 HydrophobicContact CB-CD1 3.91Å; L112-V173 HydrophobicContact CB-CG1 4.27Å; L112-E174 PolarHBondContact N-O 3.45Å; L112-V175 HydrophobicContact CB-CG2 4.37Å; L112-V175 HydrophobicContact CD2-CG1 4.03Å; L112-H176 PolarHBondContact O-N 3.31Å
113L98.3Very high96.6Very high0 Ų032.4 Ų32.40%015%0.152CC..EExtended strand (participates in β ladder)trans-115.5125.8179.1-55.3-179.4000111.4L88 V89 L90 G91 V111 H176 V179 L197 A204L88-L113 HydrophobicContact CD1-CD1 3.85Å; L88-L113 HydrophobicContact CD1-CD2 4.48Å; L88-L113 HydrophobicContact CD1-CG 3.83Å; L88-L113 HydrophobicContact CD2-CD1 4.21Å; L88-L113 HydrophobicContact CG-CD1 4.41Å; V89-L113 PolarHBondContact O-N 3.12Å; L90-L113 HydrophobicContact CD1-CB 4.41Å; G91-L113 PolarHBondContact N-O 3.49Å; V111-L113 HydrophobicContact CG1-CD2 4.33Å; L113-H176 HydrophobicContact CD2-CB 3.89Å; L113-V179 HydrophobicContact CD2-CG1 4.27Å; L113-L197 HydrophobicContact CD1-CD1 4.23Å; L113-L197 HydrophobicContact CD1-CD2 3.47Å; L113-L197 VanDerWaalsContact CD1-CD2 3.47Å; L113-A204 HydrophobicContact CD2-CB 4.02Å
114E97.2Very high96.5Very high16 Ų1632.7 Ų32.78%0.07515%0.154CC..EExtended strand (participates in β ladder)trans-121.1134.8169176.551.9-112.900110.5A92 R116 H176 T177 G178 V179A92-E114 HydrophobicContact CB-CB 3.64Å; A92-E114 HydrophobicContact CB-CG 3.85Å; A92-E114 PolarHBondContact N-OE2 3.29Å; E114-R116 HydrophobicContact CG-CB 4.08Å; E114-R116 WeakPolarHBondContact OE1-CG 3.43Å; E114-R116 PolarHBondContact OE1-N 3.45Å; E114-H176 PolarHBondContact N-O 3.4Å; E114-T177 HydrophobicContact CB-CG2 4.41Å; E114-T177 CarbonylContact O-C 3.48Å; E114-T177 WeakPolarHBondContact O-CA 3.14Å; E114-G178 PolarHBondContact O-N 2.94Å; E114-V179 CarbonylContact C-O 3.57Å; E114-V179 PolarHBondContact O-N 3.28Å
115K95.9Very high96.3Very high121 Ų12133.5 Ų33.553%0.52616%0.156SC..SBendtrans-80.3-23.5-179.467.7-179.2-179.2-176.50113.1V179 E180K115-V179 WeakPolarHBondContact CA-O 3.39Å; K115-E180 HydrophobicContact CB-CB 4.04Å; K115-E180 HydrophobicContact CB-CG 3.94Å; K115-E180 HydrophobicContact CD-CG 4.2Å
116R94.5Very high96Very high119 Ų11934.4 Ų34.445%0.44916%0.16SC..  trans-80.4154.7171.2-59.9176.9-174.6-118.2-1.5110.8E114 T177 G178E114-R116 HydrophobicContact CG-CB 4.08Å; E114-R116 WeakPolarHBondContact OE1-CG 3.43Å; E114-R116 PolarHBondContact OE1-N 3.45Å; R116-T177 WeakPolarHBondContact O-CB 3.33Å; R116-G178 PolarHBondContact O-N 3.36Å
117E93.7Very high95.8Very high124 Ų12434.4 Ų34.458%0.57916%0.161SC*.SBendtrans-87.8-25.7168.9-63.3-172171.300112.6
118E95Very high95.6Very high38 Ų3834.4 Ų34.418%0.17816%0.156CC..SBendtrans-136.2161.2-170.9-93-59.8159.900114.9T22 C23 Q24 T120T22-E118 WeakPolarHBondContact CB-OE1 3.46Å; C23-E118 WeakPolarHBondContact CA-OE1 3.37Å; C23-E118 WeakPolarHBondContact CB-OE1 2.99Å; C23-E118 VanDerWaalsContact CB-OE2 3.23Å; C23-E118 WeakPolarHBondContact CB-OE2 3.5Å; C23-E118 VanDerWaalsContact N-CD 3.3Å; C23-E118 PolarHBondContact N-OE1 2.79Å; C23-E118 PolarHBondContact N-OE2 3.47Å; Q24-E118 WeakPolarHBondContact CB-OE1 3.27Å; Q24-E118 HydrophobicContact CG-CG 4.44Å; Q24-E118 WeakPolarHBondContact CG-OE1 3.27Å; Q24-E118 PolarHBondContact N-OE1 3.07Å; E118-T120 HydrophobicContact CB-CG2 3.73Å
119F95.8Very high95.3Very high6 Ų636.8 Ų36.83%0.02617%0.171CC..  trans-100.397.5178.7-63.3-21.4000111.2C23 A92 L97 R158 Q161 L162 L165C23-F119 HydrophobicContact CB-CD2 4.24Å; C23-F119 HydrophobicContact CB-CE2 4.45Å; C23-F119 HydrophobicContact CB-CG 4.33Å; A92-F119 HydrophobicContact CB-CE1 3.81Å; A92-F119 HydrophobicContact CB-CZ 3.95Å; L97-F119 HydrophobicContact CD1-CZ 4.39Å; F119-R158 HydrophobicContact CB-CB 4.34Å; F119-R158 WeakPolarHBondContact O-CB 3.48Å; F119-Q161 HydrophobicContact CB-CB 4.41Å; F119-Q161 HydrophobicContact CD1-CB 4.27Å; F119-Q161 VanDerWaalsContact CD1-NE2 3.3Å; F119-Q161 HydrophobicContact CD2-CB 3.49Å; F119-Q161 VanDerWaalsContact CD2-CB 3.49Å; F119-Q161 HydrophobicContact CE1-CB 4.41Å; F119-Q161 HydrophobicContact CE2-CB 3.65Å; F119-Q161 WeakPolarHBondContact CE2-O 3.3Å; F119-Q161 HydrophobicContact CG-CB 3.82Å; F119-Q161 HydrophobicContact CZ-CB 4.12Å; F119-L162 HydrophobicContact CD2-CD2 3.9Å; F119-L162 HydrophobicContact CD2-CG 4.03Å; F119-L162 HydrophobicContact CE2-CD2 4.48Å; F119-L165 HydrophobicContact CE2-CB 3.94Å; F119-L165 HydrophobicContact CE2-CD2 3.62Å; F119-L165 HydrophobicContact CE2-CG 4.35Å; F119-L165 HydrophobicContact CZ-CB 4.41Å; F119-L165 HydrophobicContact CZ-CD2 4.04Å
120T93.3Very high95.2Very high44 Ų4435.6 Ų35.627%0.2717%0.166SC..  trans-119.613.2-159.170.50000115.4E118 P353E118-T120 HydrophobicContact CB-CG2 3.73Å; T120-P353 HydrophobicContact CG2-CG 4.48Å
121R94.2Very high95.2Very high85 Ų8535.3 Ų35.332%0.32116%0.164SC..  trans-99.5116-179.3-70-179.2-69.2176.10.6110.3I157 R158R121-I157 HydrophobicContact CB-CB 3.93Å; R121-I157 HydrophobicContact CB-CD1 3.99Å; R121-I157 HydrophobicContact CB-CG2 4Å; R121-R158 WeakPolarHBondContact O-CB 3.34Å; R121-R158 WeakPolarHBondContact O-CG 3.41Å; R121-R158 PolarHBondContact O-N 3.12Å
122N94.6Very high95Very high21 Ų2136.2 Ų36.211%0.11217%0.169CC..  trans-84.5-27.9-179.1-58.2-40.9000113S156 R158 T289 D358N122-S156 WeakPolarHBondContact O-CB 3.2Å; N122-R158 WeakPolarHBondContact OD1-CD 3.2Å; N122-T289 HydrophobicContact CB-CG2 4.36Å; N122-D358 WeakPolarHBondContact CB-OD2 3.49Å; N122-D358 PolarHBondContact ND2-OD2 2.69Å
123N95.4Very high94.9Very high20 Ų2037.1 Ų37.111%0.10717%0.174CC..  trans-44.8144.2-178.9-65.127000113.2I157 T239 N241 Y291N123-I157 HydrophobicContact CB-CD1 3.91Å; N123-I157 VanDerWaalsContact O-CG1 3.26Å; N123-I157 WeakPolarHBondContact O-CG1 3.16Å; N123-I157 PolarHBondContact O-N 3.3Å; N123-T239 WeakPolarHBondContact ND2-CB 3.25Å; N123-T239 PolarHBondContact ND2-OG1 2.92Å; N123-N241 PolarHBondContact N-OD1 3.45Å; N123-N241 PolarHBondContact OD1-ND2 2.78Å; N123-Y291 HydrophobicContact CB-CD2 4.1Å; N123-Y291 HydrophobicContact CB-CE2 3.49Å; N123-Y291 VanDerWaalsContact CB-CE2 3.49Å
124V95.3Very high94.9Very high7 Ų737.4 Ų37.44%0.04218%0.176CC..EExtended strand (participates in β ladder)trans-102.2137-169.1178.40000111.8H154 Y285 D287 Y291V124-H154 HydrophobicContact CG1-CB 3.65Å; V124-Y285 HydrophobicContact CB-CD2 4.17Å; V124-Y285 HydrophobicContact CG1-CD2 3.79Å; V124-Y285 HydrophobicContact CG1-CG 4.13Å; V124-D287 HydrophobicContact CB-CB 4.45Å; V124-D287 HydrophobicContact CG1-CB 4.13Å; V124-D287 HydrophobicContact CG2-CB 3.42Å; V124-D287 VanDerWaalsContact CG2-CB 3.42Å; V124-Y291 HydrophobicContact CB-CD1 3.58Å; V124-Y291 HydrophobicContact CB-CD2 4.49Å; V124-Y291 HydrophobicContact CB-CE1 4.1Å; V124-Y291 HydrophobicContact CB-CG 3.74Å; V124-Y291 VanDerWaalsContact CG2-CB 3.49Å; V124-Y291 HydrophobicContact CG2-CD1 4.16Å; V124-Y291 HydrophobicContact CG2-CG 3.82Å; V124-Y291 WeakPolarHBondContact O-CE1 3.5Å
125L94.3Very high94.9Very high39 Ų3936.7 Ų36.720%0.20417%0.173CC..EExtended strand (participates in β ladder)trans-106.2127.7-179.2-61.1159.8000109.6H154 I155 I157 L160 I404L125-H154 CarbonylContact O-C 3.59Å; L125-H154 WeakPolarHBondContact O-CA 3.39Å; L125-H154 WeakPolarHBondContact O-CB 3.33Å; L125-I155 WeakPolarHBondContact CB-O 3.45Å; L125-I155 PolarHBondContact N-O 2.83Å; L125-I155 PolarHBondContact O-N 3.35Å; L125-I157 HydrophobicContact CD1-CB 4.18Å; L125-I157 HydrophobicContact CD1-CG1 3.54Å; L125-I157 HydrophobicContact CD2-CD1 4.49Å; L125-I157 HydrophobicContact CD2-CG1 3.91Å; L125-I157 HydrophobicContact CG-CG1 3.57Å; L125-L160 HydrophobicContact CD1-CD2 3.9Å; L125-I404 HydrophobicContact CB-CG1 4.07Å; L125-I404 HydrophobicContact CD1-CD1 3.77Å; L125-I404 HydrophobicContact CD1-CG1 3.73Å; L125-I404 HydrophobicContact CD2-CG1 4.2Å; L125-I404 HydrophobicContact CG-CG1 4.22Å
126H91.8Very high94.9Very high30 Ų3035.9 Ų35.914%0.13917%0.166CC..EExtended strand (participates in β ladder)trans-70149.7164.9176.371.2000111.3W128 D153 Y285H126-W128 AromaticContact CD2-CD1 3.77Å; H126-W128 AromaticContact NE2-CD1 3.66Å; H126-D153 IonicContact CE1-OD2 2.67Å; H126-D153 PolarHBondContact CE1-OD2 2.9Å; H126-D153 PolarHBondContact ND1-O 3.22Å; H126-D153 IonicContact ND1-OD1 3.67Å; H126-D153 PolarHBondContact ND1-OD1 2.82Å; H126-D153 IonicContact ND1-OD2 2.68Å; H126-Y285 HydrophobicContact CB-CE2 4.37Å
127L93.8Very high95Very high1 Ų132.4 Ų32.41%0.00516%0.155CC..  trans-127.7114.1-174.6-62.8178.2000109.9T131 I132 L135 F147 D153 I155 I404L127-T131 WeakPolarHBondContact CA-OG1 3.36Å; L127-T131 WeakPolarHBondContact CB-OG1 3.47Å; L127-I132 HydrophobicContact CB-CD1 4.21Å; L127-I132 HydrophobicContact CB-CG1 3.72Å; L127-I132 HydrophobicContact CD1-CG1 4.29Å; L127-L135 HydrophobicContact CD1-CD1 4.34Å; L127-L135 HydrophobicContact CD2-CD1 4.42Å; L127-F147 HydrophobicContact CD1-CE2 3.75Å; L127-F147 HydrophobicContact CD1-CZ 4.12Å; L127-D153 WeakPolarHBondContact CA-O 3.25Å; L127-D153 WeakPolarHBondContact CB-O 3.32Å; L127-D153 PolarHBondContact N-O 3.03Å; L127-I155 HydrophobicContact CD1-CB 4.2Å; L127-I155 HydrophobicContact CD1-CG2 3.74Å; L127-I155 HydrophobicContact CD2-CG2 3.99Å; L127-I155 HydrophobicContact CG-CG2 4.05Å; L127-I404 HydrophobicContact CD2-CB 4.13Å; L127-I404 HydrophobicContact CD2-CG1 4.33Å; L127-I404 HydrophobicContact CD2-CG2 3.74Å
128W92.5Very high95.2Very high14 Ų1426.6 Ų26.65%0.05313%0.128CC..  trans-63.3153.2171.4-67.73.1000111.1H126 F130 T131 I132 T402 A405 T444 P446H126-W128 AromaticContact CD2-CD1 3.77Å; H126-W128 AromaticContact NE2-CD1 3.66Å; W128-F130 VanDerWaalsContact C-N 3.29Å; W128-F130 HydrophobicContact CB-CD1 4.16Å; W128-F130 HydrophobicContact CB-CE1 4.3Å; W128-F130 HydrophobicContact CE3-CD1 4.2Å; W128-F130 AromaticContact CE3-CE1 3.77Å; W128-F130 HydrophobicContact CE3-CE1 3.77Å; W128-F130 HydrophobicContact CZ3-CE1 4.44Å; W128-F130 PolarHBondContact O-N 2.92Å; W128-F130 VanDerWaalsContact O-N 3.08Å; W128-T131 PolarHBondContact N-OG1 2.91Å; W128-T131 WeakPolarHBondContact O-CB 3.29Å; W128-T131 PolarHBondContact O-N 2.85Å; W128-T131 PolarHBondContact O-OG1 3.05Å; W128-I132 PolarHBondContact O-N 3.17Å; W128-T402 HydrophobicContact CZ2-CG2 4.18Å; W128-A405 HydrophobicContact CB-CB 4.23Å; W128-A405 HydrophobicContact CD2-CB 3.25Å; W128-A405 HydrophobicContact CE3-CB 3.41Å; W128-A405 VanDerWaalsContact CE3-CB 3.41Å; W128-A405 HydrophobicContact CG-CB 3.68Å; W128-A405 HydrophobicContact CH2-CB 3.95Å; W128-A405 HydrophobicContact CZ2-CB 3.92Å; W128-A405 HydrophobicContact CZ3-CB 3.75Å; W128-T444 WeakPolarHBondContact CH2-O 3.31Å; W128-P446 HydrophobicContact CD2-CG 3.66Å; W128-P446 HydrophobicContact CE3-CB 4.42Å; W128-P446 HydrophobicContact CE3-CG 3.84Å; W128-P446 HydrophobicContact CG-CG 3.96Å; W128-P446 HydrophobicContact CZ3-CG 4.44Å
129P92.8Very high95.2Very high51 Ų5124.9 Ų24.933%0.33112%0.121SC..Hα-helixtrans-47.5-44.1-176.2-32.436.8000115.2T131 I132 C133 Y453P129-T131 VanDerWaalsContact C-N 3.29Å; P129-T131 PolarHBondContact O-N 2.83Å; P129-I132 WeakPolarHBondContact O-CB 3.48Å; P129-I132 PolarHBondContact O-N 3.4Å; P129-I132 VanDerWaalsContact O-N 3.13Å; P129-C133 PolarHBondContact O-N 3.19Å; P129-C133 PolarHBondContact O-SG 2.73Å; P129-Y453 HydrophobicContact CB-CD2 4.11Å; P129-Y453 HydrophobicContact CB-CE2 3.56Å
130F96.1Very high95.2Very high5 Ų524.6 Ų24.62%0.02212%0.12CC..Hα-helixtrans-62.4-34.4178.989.9-99000113.1W128 I132 C133 D134 A405 F408 L409 F412 Y453 Y456W128-F130 VanDerWaalsContact C-N 3.29Å; W128-F130 HydrophobicContact CB-CD1 4.16Å; W128-F130 HydrophobicContact CB-CE1 4.3Å; W128-F130 HydrophobicContact CE3-CD1 4.2Å; W128-F130 AromaticContact CE3-CE1 3.77Å; W128-F130 HydrophobicContact CE3-CE1 3.77Å; W128-F130 HydrophobicContact CZ3-CE1 4.44Å; W128-F130 PolarHBondContact O-N 2.92Å; W128-F130 VanDerWaalsContact O-N 3.08Å; F130-I132 VanDerWaalsContact C-N 3.34Å; F130-C133 PolarHBondContact O-N 2.85Å; F130-D134 WeakPolarHBondContact O-CB 3.25Å; F130-D134 PolarHBondContact O-N 2.74Å; F130-A405 HydrophobicContact CE1-CB 3.9Å; F130-A405 HydrophobicContact CZ-CB 4.19Å; F130-F408 HydrophobicContact CE2-CB 4.3Å; F130-L409 HydrophobicContact CE1-CD1 4.43Å; F130-L409 HydrophobicContact CE1-CG 4.37Å; F130-L409 HydrophobicContact CE2-CD2 4.44Å; F130-L409 HydrophobicContact CE2-CG 4.47Å; F130-L409 HydrophobicContact CZ-CD1 4.32Å; F130-L409 HydrophobicContact CZ-CD2 4.13Å; F130-L409 HydrophobicContact CZ-CG 3.8Å; F130-F412 HydrophobicContact CE2-CE2 4.14Å; F130-Y453 HydrophobicContact CB-CD1 3.36Å; F130-Y453 HydrophobicContact CB-CE1 3.89Å; F130-Y453 HydrophobicContact CB-CG 3.85Å; F130-Y456 HydrophobicContact CB-CD2 4.01Å; F130-Y456 HydrophobicContact CB-CE2 3.73Å; F130-Y456 HydrophobicContact CD1-CE2 4.19Å; F130-Y456 AromaticContact CD2-CD2 3.65Å; F130-Y456 HydrophobicContact CD2-CD2 3.65Å; F130-Y456 AromaticContact CD2-CE2 3.67Å; F130-Y456 HydrophobicContact CD2-CE2 3.67Å; F130-Y456 HydrophobicContact CE2-CD2 4.39Å; F130-Y456 HydrophobicContact CE2-CE2 4.35Å; F130-Y456 AromaticContact CG-CD2 3.97Å; F130-Y456 HydrophobicContact CG-CD2 3.97Å; F130-Y456 AromaticContact CG-CE2 3.59Å; F130-Y456 HydrophobicContact CG-CE2 3.59Å
131T97.2Very high95.3Very high0 Ų026.8 Ų26.80%013%0.126CC..Hα-helixtrans-72.6-29.6177.966.70000111.7L127 W128 P129 L135 I404 A405 F408L127-T131 WeakPolarHBondContact CA-OG1 3.36Å; L127-T131 WeakPolarHBondContact CB-OG1 3.47Å; W128-T131 PolarHBondContact N-OG1 2.91Å; W128-T131 WeakPolarHBondContact O-CB 3.29Å; W128-T131 PolarHBondContact O-N 2.85Å; W128-T131 PolarHBondContact O-OG1 3.05Å; P129-T131 VanDerWaalsContact C-N 3.29Å; P129-T131 PolarHBondContact O-N 2.83Å; T131-L135 WeakPolarHBondContact O-CB 3.1Å; T131-L135 WeakPolarHBondContact O-CD1 3.29Å; T131-L135 WeakPolarHBondContact O-CG 3.24Å; T131-L135 PolarHBondContact O-N 3.05Å; T131-I404 HydrophobicContact CG2-CG2 4.19Å; T131-A405 HydrophobicContact CG2-CB 4.42Å; T131-F408 HydrophobicContact CG2-CD2 4.28Å
132I95.8Very high95.3Very high20 Ų2027.9 Ų27.910%0.10313%0.133CC..Hα-helixtrans-69.4-41.8172.6-57.5176.7000110L127 W128 P129 F130 R136 F147 C148 D153L127-I132 HydrophobicContact CB-CD1 4.21Å; L127-I132 HydrophobicContact CB-CG1 3.72Å; L127-I132 HydrophobicContact CD1-CG1 4.29Å; W128-I132 PolarHBondContact O-N 3.17Å; P129-I132 WeakPolarHBondContact O-CB 3.48Å; P129-I132 PolarHBondContact O-N 3.4Å; P129-I132 VanDerWaalsContact O-N 3.13Å; F130-I132 VanDerWaalsContact C-N 3.34Å; I132-R136 WeakPolarHBondContact O-CB 3.47Å; I132-R136 VanDerWaalsContact O-CG 3.24Å; I132-R136 WeakPolarHBondContact O-CG 3.45Å; I132-R136 PolarHBondContact O-N 3.3Å; I132-F147 HydrophobicContact CG2-CE1 4.49Å; I132-C148 HydrophobicContact CG2-CB 3.77Å; I132-D153 HydrophobicContact CD1-CB 4.24Å
133C95.6Very high95.3Very high18 Ų1827.3 Ų27.312%0.12213%0.129CC..Hα-helixtrans-63.4-51.5174.5-62.80000111.8P129 F130 L135 R136 E137P129-C133 PolarHBondContact O-N 3.19Å; P129-C133 PolarHBondContact O-SG 2.73Å; F130-C133 PolarHBondContact O-N 2.85Å; C133-L135 PolarHBondContact O-N 3.28Å; C133-R136 WeakPolarHBondContact O-CA 3.45Å; C133-R136 WeakPolarHBondContact O-CB 3.39Å; C133-R136 PolarHBondContact O-N 3.35Å; C133-E137 PolarHBondContact O-N 2.98Å
134D98Very high95.3Very high7 Ų727.5 Ų27.54%0.03713%0.129CC..Hα-helixtrans-53.7-47.3177.2176.773.4000112.7R98 F130 R136 E137 L138 F408 F412R98-D134 IonicContact CZ-OD1 3.23Å; R98-D134 IonicContact CZ-OD2 2.63Å; R98-D134 IonicContact NE-OD1 3.13Å; R98-D134 IonicContact NE-OD2 2.71Å; R98-D134 PolarHBondContact NE-OD2 3.4Å; R98-D134 IonicContact NH2-OD1 2.64Å; R98-D134 PolarHBondContact NH2-OD1 2.95Å; R98-D134 IonicContact NH2-OD2 2.92Å; R98-D134 PolarHBondContact NH2-OD2 3.44Å; F130-D134 WeakPolarHBondContact O-CB 3.25Å; F130-D134 PolarHBondContact O-N 2.74Å; D134-R136 VanDerWaalsContact C-N 3.35Å; D134-R136 PolarHBondContact O-N 2.8Å; D134-E137 PolarHBondContact O-N 3.07Å; D134-L138 WeakPolarHBondContact O-CG 3.46Å; D134-L138 PolarHBondContact O-N 2.67Å; D134-F408 WeakPolarHBondContact OD2-CD2 3.19Å; D134-F408 WeakPolarHBondContact OD2-CE2 3.02Å; D134-F412 WeakPolarHBondContact OD1-CZ 3.5Å
135L98.1Very high95Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-68.6-31.6177.6-70.1169.3000112.6L127 T131 C133 L138 G139 A140 F147 L160 L164 F408L127-L135 HydrophobicContact CD1-CD1 4.34Å; L127-L135 HydrophobicContact CD2-CD1 4.42Å; T131-L135 WeakPolarHBondContact O-CB 3.1Å; T131-L135 WeakPolarHBondContact O-CD1 3.29Å; T131-L135 WeakPolarHBondContact O-CG 3.24Å; T131-L135 PolarHBondContact O-N 3.05Å; C133-L135 PolarHBondContact O-N 3.28Å; L135-L138 CarbonylContact O-C 3.57Å; L135-L138 PolarHBondContact O-N 3.22Å; L135-G139 PolarHBondContact O-N 3.06Å; L135-A140 HydrophobicContact CB-CB 4.01Å; L135-A140 WeakPolarHBondContact O-CB 3.26Å; L135-A140 PolarHBondContact O-N 2.91Å; L135-F147 HydrophobicContact CB-CE1 3.74Å; L135-F147 HydrophobicContact CB-CE2 4.47Å; L135-F147 HydrophobicContact CB-CZ 3.5Å; L135-F147 VanDerWaalsContact CB-CZ 3.5Å; L135-F147 HydrophobicContact CD1-CE2 4.09Å; L135-F147 HydrophobicContact CD1-CZ 3.71Å; L135-F147 HydrophobicContact CG-CZ 4.26Å; L135-L160 HydrophobicContact CD1-CD1 3.64Å; L135-L160 HydrophobicContact CD2-CD1 3.76Å; L135-L160 HydrophobicContact CG-CD1 4.39Å; L135-L164 HydrophobicContact CD2-CD2 3.87Å; L135-L164 HydrophobicContact CD2-CG 4.45Å; L135-F408 HydrophobicContact CD1-CE2 4.42Å; L135-F408 HydrophobicContact CD2-CE2 4.05Å; L135-F408 HydrophobicContact CD2-CZ 4.21Å; L135-F408 HydrophobicContact CG-CE2 4.12Å
136R95.6Very high94.7Very high104 Ų10432 Ų3239%0.39216%0.162SC..Hα-helixtrans-66.7-40.3171.7-75.7171.7-177.1175.71.3111.8I132 C133 D134 L138 G139 F147 C148I132-R136 WeakPolarHBondContact O-CB 3.47Å; I132-R136 VanDerWaalsContact O-CG 3.24Å; I132-R136 WeakPolarHBondContact O-CG 3.45Å; I132-R136 PolarHBondContact O-N 3.3Å; C133-R136 WeakPolarHBondContact O-CA 3.45Å; C133-R136 WeakPolarHBondContact O-CB 3.39Å; C133-R136 PolarHBondContact O-N 3.35Å; D134-R136 VanDerWaalsContact C-N 3.35Å; D134-R136 PolarHBondContact O-N 2.8Å; R136-L138 VanDerWaalsContact C-N 3.31Å; R136-L138 PolarHBondContact O-N 3.27Å; R136-G139 PolarHBondContact O-N 3.14Å; R136-F147 HydrophobicContact CG-CD1 4.41Å; R136-F147 HydrophobicContact CG-CE1 4.07Å; R136-C148 PolarHBondContact NH2-O 2.84Å
137E95.9Very high94.8Very high47 Ų4730.6 Ų30.622%0.2216%0.156CC..Hα-helixtrans-63-35.4172.9-71.1-177.3-173.900112.2K66 R70 C133 D134 G139K66-E137 VanDerWaalsContact CB-O 3.28Å; K66-E137 WeakPolarHBondContact CB-O 3.23Å; R70-E137 IonicContact CZ-OE2 3.63Å; R70-E137 IonicContact NH1-OE2 2.74Å; R70-E137 PolarHBondContact NH1-OE2 2.63Å; C133-E137 PolarHBondContact O-N 2.98Å; D134-E137 PolarHBondContact O-N 3.07Å; E137-G139 PolarHBondContact O-N 3.21Å
138L97.4Very high94.4Very high1 Ų130.9 Ų30.91%0.00516%0.158CC..THydrogen-bonded Turntrans-77.410.8171.1-63.4-178.9000114.2L67 I101 D134 L135 R136 A140 L164 V167L67-L138 HydrophobicContact CD2-CD2 4.01Å; I101-L138 HydrophobicContact CD1-CD1 4.08Å; I101-L138 HydrophobicContact CG2-CD1 4.43Å; I101-L138 HydrophobicContact CG2-CD2 4.08Å; D134-L138 WeakPolarHBondContact O-CG 3.46Å; D134-L138 PolarHBondContact O-N 2.67Å; L135-L138 CarbonylContact O-C 3.57Å; L135-L138 PolarHBondContact O-N 3.22Å; R136-L138 VanDerWaalsContact C-N 3.31Å; R136-L138 PolarHBondContact O-N 3.27Å; L138-A140 PolarHBondContact O-N 3.35Å; L138-L164 HydrophobicContact CD1-CD2 4.19Å; L138-V167 HydrophobicContact CB-CG2 4.45Å; L138-V167 HydrophobicContact CD2-CG1 4.4Å; L138-V167 WeakPolarHBondContact O-CG2 3.42Å
139G96Very high93.7Very high3 Ų332.1 Ų32.13%0.03117%0.171CC..THydrogen-bonded Turntrans75.215.6174.200000115.3L135 R136 E137 K141 K142 F143L135-G139 PolarHBondContact O-N 3.06Å; R136-G139 PolarHBondContact O-N 3.14Å; E137-G139 PolarHBondContact O-N 3.21Å; G139-K141 PolarHBondContact O-N 3.07Å; G139-K142 PolarHBondContact O-N 2.67Å; G139-F143 WeakPolarHBondContact O-CD2 3.47Å; G139-F143 PolarHBondContact O-N 2.83Å
140A96.4Very high92.9Very high0 Ų032.5 Ų32.50%018%0.184CC..Hα-helixtrans-49.8-33.2-176.300000114.1L135 L138 K142 F143 Y144 F147 I163L135-A140 HydrophobicContact CB-CB 4.01Å; L135-A140 WeakPolarHBondContact O-CB 3.26Å; L135-A140 PolarHBondContact O-N 2.91Å; L138-A140 PolarHBondContact O-N 3.35Å; A140-K142 VanDerWaalsContact C-N 3.32Å; A140-K142 PolarHBondContact O-N 2.9Å; A140-F143 CarbonylContact O-C 3.37Å; A140-F143 PolarHBondContact O-N 3.1Å; A140-Y144 PolarHBondContact O-N 3Å; A140-F147 HydrophobicContact CB-CD1 3.63Å; A140-F147 HydrophobicContact CB-CE1 3.79Å; A140-F147 HydrophobicContact CB-CG 4.08Å; A140-F147 HydrophobicContact CB-CZ 4.37Å; A140-I163 HydrophobicContact CB-CD1 4.26Å; A140-I163 HydrophobicContact CB-CG2 3.76Å
141K93.9Very high91.6Very high90 Ų9034.9 Ų34.939%0.39120%0.202SC..Hα-helixtrans-65.6-29.7178.8-165.157.7162.7179.10113.9G139 Y144 G145 F147G139-K141 PolarHBondContact O-N 3.07Å; K141-Y144 CarbonylContact O-C 3.57Å; K141-G145 WeakPolarHBondContact CE-O 3.3Å; K141-G145 PolarHBondContact NZ-O 3.12Å; K141-F147 HydrophobicContact CD-CB 4.26Å; K141-F147 WeakPolarHBondContact CD-O 3.31Å; K141-F147 PolarHBondContact NZ-O 2.71Å
142K94.4Very high90.8Very high108 Ų10837.2 Ų37.247%0.4721%0.214SC..Hα-helixtrans-79.6-33.7174.7-56.5-73.7-177176.10110.9V18 V63 G139 A140V18-K142 WeakPolarHBondContact CG1-O 3.46Å; V63-K142 HydrophobicContact CG2-CB 4.21Å; V63-K142 HydrophobicContact CG2-CG 4.39Å; G139-K142 PolarHBondContact O-N 2.67Å; A140-K142 VanDerWaalsContact C-N 3.32Å; A140-K142 PolarHBondContact O-N 2.9Å
143F95.6Very high90.5Very high8 Ų838.3 Ų38.34%0.03522%0.22CC..Hα-helixtrans-80.4-20.2175.3-58.8-59.4000114.6F17 V18 V63 G139 A140 I163 K166 V167 I170F17-F143 HydrophobicContact CE1-CE1 4.37Å; V18-F143 HydrophobicContact CG1-CD1 4.45Å; V18-F143 HydrophobicContact CG2-CD1 4.3Å; V18-F143 HydrophobicContact CG2-CE1 4.26Å; V63-F143 HydrophobicContact CG1-CE2 4.31Å; V63-F143 HydrophobicContact CG1-CZ 3.86Å; V63-F143 HydrophobicContact CG2-CZ 4.25Å; G139-F143 WeakPolarHBondContact O-CD2 3.47Å; G139-F143 PolarHBondContact O-N 2.83Å; A140-F143 CarbonylContact O-C 3.37Å; A140-F143 PolarHBondContact O-N 3.1Å; F143-I163 HydrophobicContact CB-CG1 4.22Å; F143-I163 HydrophobicContact CD2-CG2 4.38Å; F143-K166 HydrophobicContact CB-CD 4.17Å; F143-K166 HydrophobicContact CD1-CB 4Å; F143-K166 HydrophobicContact CD1-CD 3.73Å; F143-K166 HydrophobicContact CD1-CG 4.42Å; F143-K166 HydrophobicContact CE1-CB 4Å; F143-K166 HydrophobicContact CE1-CD 4.45Å; F143-K166 HydrophobicContact CG-CB 4.38Å; F143-K166 HydrophobicContact CG-CD 4.14Å; F143-K166 HydrophobicContact CZ-CB 4.38Å; F143-V167 HydrophobicContact CD2-CG2 4.27Å; F143-V167 HydrophobicContact CE2-CG2 3.66Å; F143-V167 HydrophobicContact CZ-CG2 4.39Å; F143-I170 HydrophobicContact CE1-CD1 4.06Å; F143-I170 HydrophobicContact CZ-CD1 3.63Å
144Y94.9Very high90.3Very high25 Ų2537.6 Ų37.610%0.09822%0.215CC..  trans-149.595.5179-177.3-140.5000110.3A140 K141 K146 F147 I155 Q159 I163 D288A140-Y144 PolarHBondContact O-N 3Å; K141-Y144 CarbonylContact O-C 3.57Å; Y144-K146 HydrophobicContact CD2-CB 4.27Å; Y144-K146 HydrophobicContact CE1-CB 4.1Å; Y144-K146 HydrophobicContact CE2-CB 3.68Å; Y144-K146 HydrophobicContact CE2-CD 3.99Å; Y144-K146 HydrophobicContact CE2-CG 4.11Å; Y144-K146 PolarHBondContact O-N 2.91Å; Y144-K146 VanDerWaalsContact O-N 3.14Å; Y144-K146 WeakPolarHBondContact OH-CD 3.39Å; Y144-F147 HydrophobicContact CD1-CB 3.73Å; Y144-F147 HydrophobicContact CD1-CD2 4.26Å; Y144-F147 HydrophobicContact CD1-CG 4.48Å; Y144-F147 HydrophobicContact CG-CB 4.32Å; Y144-F147 WeakPolarHBondContact O-CB 3.45Å; Y144-F147 PolarHBondContact O-N 3.05Å; Y144-I155 HydrophobicContact CD1-CD1 4.05Å; Y144-I155 HydrophobicContact CE1-CD1 4.14Å; Y144-I155 HydrophobicContact CE1-CG1 4.29Å; Y144-Q159 HydrophobicContact CD1-CG 3.65Å; Y144-Q159 HydrophobicContact CD2-CG 3.86Å; Y144-Q159 HydrophobicContact CE1-CG 3.67Å; Y144-Q159 HydrophobicContact CE2-CG 3.86Å; Y144-Q159 HydrophobicContact CG-CG 3.77Å; Y144-Q159 VanDerWaalsContact CG-NE2 3.3Å; Y144-I163 HydrophobicContact CD1-CD1 4.08Å; Y144-I163 HydrophobicContact CG-CD1 4.31Å; Y144-D288 PolarHBondContact OH-OD2 3.22Å
145G89.6Confident90.2Very high58 Ų5837.3 Ų37.360%0.59821%0.213SC*.THydrogen-bonded Turntrans-58.4-29.8-175.300000114.8K141 F147K141-G145 WeakPolarHBondContact CE-O 3.3Å; K141-G145 PolarHBondContact NZ-O 3.12Å; G145-F147 VanDerWaalsContact C-N 3.28Å; G145-F147 PolarHBondContact O-N 3.11Å
146K88.1Confident90.2Very high81 Ų8137.4 Ų37.435%0.35221%0.214SC..THydrogen-bonded Turntrans-70.1-19.2174.2-67.7-176.7173.3-1740113.6Y144 C148 A149 N246 D288Y144-K146 HydrophobicContact CD2-CB 4.27Å; Y144-K146 HydrophobicContact CE1-CB 4.1Å; Y144-K146 HydrophobicContact CE2-CB 3.68Å; Y144-K146 HydrophobicContact CE2-CD 3.99Å; Y144-K146 HydrophobicContact CE2-CG 4.11Å; Y144-K146 PolarHBondContact O-N 2.91Å; Y144-K146 VanDerWaalsContact O-N 3.14Å; Y144-K146 WeakPolarHBondContact OH-CD 3.39Å; K146-C148 PolarHBondContact O-N 2.77Å; K146-A149 WeakPolarHBondContact O-CB 3.41Å; K146-A149 PolarHBondContact O-N 3.46Å; K146-A149 VanDerWaalsContact O-N 3.15Å; K146-N246 PolarHBondContact NZ-OD1 2.94Å; K146-N246 VanDerWaalsContact NZ-OD1 3.14Å; K146-D288 IonicContact NZ-OD1 2.85Å; K146-D288 PolarHBondContact NZ-OD1 2.91Å
147F92.3Very high90.2Very high1 Ų133.3 Ų33.30%0.00420%0.2CC..THydrogen-bonded Turntrans-49.1121-168.7-175.4-117.6000113L127 I132 L135 R136 A140 K141 Y144 G145 A149 I155L127-F147 HydrophobicContact CD1-CE2 3.75Å; L127-F147 HydrophobicContact CD1-CZ 4.12Å; I132-F147 HydrophobicContact CG2-CE1 4.49Å; L135-F147 HydrophobicContact CB-CE1 3.74Å; L135-F147 HydrophobicContact CB-CE2 4.47Å; L135-F147 HydrophobicContact CB-CZ 3.5Å; L135-F147 VanDerWaalsContact CB-CZ 3.5Å; L135-F147 HydrophobicContact CD1-CE2 4.09Å; L135-F147 HydrophobicContact CD1-CZ 3.71Å; L135-F147 HydrophobicContact CG-CZ 4.26Å; R136-F147 HydrophobicContact CG-CD1 4.41Å; R136-F147 HydrophobicContact CG-CE1 4.07Å; A140-F147 HydrophobicContact CB-CD1 3.63Å; A140-F147 HydrophobicContact CB-CE1 3.79Å; A140-F147 HydrophobicContact CB-CG 4.08Å; A140-F147 HydrophobicContact CB-CZ 4.37Å; K141-F147 HydrophobicContact CD-CB 4.26Å; K141-F147 WeakPolarHBondContact CD-O 3.31Å; K141-F147 PolarHBondContact NZ-O 2.71Å; Y144-F147 HydrophobicContact CD1-CB 3.73Å; Y144-F147 HydrophobicContact CD1-CD2 4.26Å; Y144-F147 HydrophobicContact CD1-CG 4.48Å; Y144-F147 HydrophobicContact CG-CB 4.32Å; Y144-F147 WeakPolarHBondContact O-CB 3.45Å; Y144-F147 PolarHBondContact O-N 3.05Å; G145-F147 VanDerWaalsContact C-N 3.28Å; G145-F147 PolarHBondContact O-N 3.11Å; F147-A149 PolarHBondContact O-N 2.96Å; F147-I155 HydrophobicContact CD2-CD1 3.97Å; F147-I155 HydrophobicContact CE2-CD1 4.13Å
148C85.5Confident90.2Very high8 Ų834.6 Ų34.65%0.05420%0.202CC..THydrogen-bonded Turntrans37.747.7-179.1-65.60000114.1I132 R136 K146 L152I132-C148 HydrophobicContact CG2-CB 3.77Å; R136-C148 PolarHBondContact NH2-O 2.84Å; K146-C148 PolarHBondContact O-N 2.77Å; C148-L152 VanDerWaalsContact CA-O 3.27Å; C148-L152 WeakPolarHBondContact CA-O 3.18Å; C148-L152 VanDerWaalsContact CB-O 3.3Å; C148-L152 WeakPolarHBondContact CB-O 3.35Å; C148-L152 PolarHBondContact SG-O 2.83Å; C148-L152 VanDerWaalsContact SG-O 3.34Å
149A79.4Confident90.2Very high39 Ų3935.4 Ų35.432%0.32221%0.206SC..  trans-75.1139.8176.100000111.3K146 F147 S151 L152K146-A149 WeakPolarHBondContact O-CB 3.41Å; K146-A149 PolarHBondContact O-N 3.46Å; K146-A149 VanDerWaalsContact O-N 3.15Å; F147-A149 PolarHBondContact O-N 2.96Å; A149-S151 PolarHBondContact O-N 2.8Å; A149-L152 WeakPolarHBondContact O-CG 3.41Å; A149-L152 PolarHBondContact O-N 2.89Å; A149-L152 VanDerWaalsContact O-N 3.07Å
150G75.2Confident90.3Very high59 Ų5935.3 Ų35.361%0.60821%0.205SC*.THydrogen-bonded Turntrans67.2-94.4176.200000113.5R1088G150-R1088 PolarHBondContact O-NH2 2.96Å
151S68.9Low90.4Very high56 Ų5635.6 Ų35.639%0.39221%0.206SC..THydrogen-bonded Turntrans-132.318.6175.281.40000113.5A149 K1091A149-S151 PolarHBondContact O-N 2.8Å; S151-K1091 PolarHBondContact OG-NZ 3.04Å
152L80.2Confident90.6Very high48 Ų4831.3 Ų31.325%0.25119%0.188SC..  trans-72.6125.3177.2-65.7170.1000110C148 A149C148-L152 VanDerWaalsContact CA-O 3.27Å; C148-L152 WeakPolarHBondContact CA-O 3.18Å; C148-L152 VanDerWaalsContact CB-O 3.3Å; C148-L152 WeakPolarHBondContact CB-O 3.35Å; C148-L152 PolarHBondContact SG-O 2.83Å; C148-L152 VanDerWaalsContact SG-O 3.34Å; A149-L152 WeakPolarHBondContact O-CG 3.41Å; A149-L152 PolarHBondContact O-N 2.89Å; A149-L152 VanDerWaalsContact O-N 3.07Å
153D89.1Confident90.8Very high43 Ų4326.2 Ų26.223%0.2317%0.165CC..  trans-118.427.2-178.164.95.4000112.3H126 L127 I132H126-D153 IonicContact CE1-OD2 2.67Å; H126-D153 PolarHBondContact CE1-OD2 2.9Å; H126-D153 PolarHBondContact ND1-O 3.22Å; H126-D153 IonicContact ND1-OD1 3.67Å; H126-D153 PolarHBondContact ND1-OD1 2.82Å; H126-D153 IonicContact ND1-OD2 2.68Å; L127-D153 WeakPolarHBondContact CA-O 3.25Å; L127-D153 WeakPolarHBondContact CB-O 3.32Å; L127-D153 PolarHBondContact N-O 3.03Å; I132-D153 HydrophobicContact CD1-CB 4.24Å
154H92.4Very high91Very high4 Ų425.8 Ų25.82%0.01916%0.164CC..EExtended strand (participates in β ladder)trans-146.4168.9-175.359.266.9000113.5V124 L125 Y285 D287V124-H154 HydrophobicContact CG1-CB 3.65Å; L125-H154 CarbonylContact O-C 3.59Å; L125-H154 WeakPolarHBondContact O-CA 3.39Å; L125-H154 WeakPolarHBondContact O-CB 3.33Å; H154-Y285 HydrophobicContact CB-CG 4.43Å; H154-Y285 AromaticContact CD2-CD1 3.45Å; H154-Y285 VanDerWaalsContact CD2-CD1 3.45Å; H154-Y285 WeakPolarHBondContact CD2-CD1 3.47Å; H154-Y285 AromaticContact CD2-CG 3.68Å; H154-Y285 AromaticContact NE2-CD1 3.98Å; H154-D287 IonicContact CE1-OD2 3.89Å; H154-D287 IonicContact ND1-OD2 3.05Å; H154-D287 PolarHBondContact ND1-OD2 2.97Å
155I96.1Very high91.2Very high0 Ų024.6 Ų24.60%016%0.159CC..EExtended strand (participates in β ladder)trans-155.4140.9177.3-171.9164.2000111.9L125 L127 Y144 F147 Q159 L160 I163 D287L125-I155 WeakPolarHBondContact CB-O 3.45Å; L125-I155 PolarHBondContact N-O 2.83Å; L125-I155 PolarHBondContact O-N 3.35Å; L127-I155 HydrophobicContact CD1-CB 4.2Å; L127-I155 HydrophobicContact CD1-CG2 3.74Å; L127-I155 HydrophobicContact CD2-CG2 3.99Å; L127-I155 HydrophobicContact CG-CG2 4.05Å; Y144-I155 HydrophobicContact CD1-CD1 4.05Å; Y144-I155 HydrophobicContact CE1-CD1 4.14Å; Y144-I155 HydrophobicContact CE1-CG1 4.29Å; F147-I155 HydrophobicContact CD2-CD1 3.97Å; F147-I155 HydrophobicContact CE2-CD1 4.13Å; I155-Q159 HydrophobicContact CD1-CB 4.2Å; I155-Q159 HydrophobicContact CD1-CG 4.15Å; I155-Q159 HydrophobicContact CG1-CB 4.06Å; I155-Q159 HydrophobicContact CG1-CG 4.38Å; I155-L160 HydrophobicContact CD1-CB 4.03Å; I155-L160 HydrophobicContact CG1-CB 4.31Å; I155-L160 HydrophobicContact CG2-CB 3.93Å; I155-L160 HydrophobicContact CG2-CD2 4.09Å; I155-L160 HydrophobicContact CG2-CG 4.42Å; I155-I163 HydrophobicContact CD1-CD1 3.62Å; I155-D287 VanDerWaalsContact CA-OD2 3.29Å; I155-D287 WeakPolarHBondContact CA-OD2 3.05Å
156S96.1Very high91.6Very high2 Ų222 Ų221%0.01413%0.131CC..EExtended strand (participates in β ladder)trans-60.3140.9168.155.60000112.9N122 R158 Q159 L160 D287N122-S156 WeakPolarHBondContact O-CB 3.2Å; S156-R158 VanDerWaalsContact C-N 3.32Å; S156-R158 PolarHBondContact O-N 3.18Å; S156-Q159 PolarHBondContact O-N 3.16Å; S156-Q159 WeakPolarHBondContact OG-CB 3.41Å; S156-L160 PolarHBondContact O-N 2.64Å; S156-L160 VanDerWaalsContact O-N 3.14Å; S156-D287 VanDerWaalsContact CB-OD1 3.29Å; S156-D287 WeakPolarHBondContact CB-OD1 3.46Å; S156-D287 PolarHBondContact N-OD1 3.43Å; S156-D287 PolarHBondContact N-OD2 2.98Å; S156-D287 PolarHBondContact OG-OD1 2.84Å; S156-D287 VanDerWaalsContact OG-OD1 3.13Å
157I96.8Very high92.1Very high19 Ų1918.1 Ų18.110%0.09711%0.114CC..Hα-helixtrans-53.7-47.7-176.4-66.1159.7000111.5R121 N123 L125 Q159 L160 Q161R121-I157 HydrophobicContact CB-CB 3.93Å; R121-I157 HydrophobicContact CB-CD1 3.99Å; R121-I157 HydrophobicContact CB-CG2 4Å; N123-I157 HydrophobicContact CB-CD1 3.91Å; N123-I157 VanDerWaalsContact O-CG1 3.26Å; N123-I157 WeakPolarHBondContact O-CG1 3.16Å; N123-I157 PolarHBondContact O-N 3.3Å; L125-I157 HydrophobicContact CD1-CB 4.18Å; L125-I157 HydrophobicContact CD1-CG1 3.54Å; L125-I157 HydrophobicContact CD2-CD1 4.49Å; L125-I157 HydrophobicContact CD2-CG1 3.91Å; L125-I157 HydrophobicContact CG-CG1 3.57Å; I157-Q159 VanDerWaalsContact C-N 3.28Å; I157-Q159 PolarHBondContact O-N 3.34Å; I157-L160 PolarHBondContact O-N 3.42Å; I157-Q161 HydrophobicContact CG2-CG 4.4Å; I157-Q161 VanDerWaalsContact CG2-OE1 3.3Å; I157-Q161 WeakPolarHBondContact O-CG 3.42Å; I157-Q161 PolarHBondContact O-N 2.96Å
158R96.1Very high92.4Very high74 Ų7418 Ų1828%0.27911%0.114SC..Hα-helixtrans-57.1-39.6178.460.3177.5-68.3173.31112.9K21 F119 R121 N122 S156 Q161 L162K21-R158 PolarHBondContact O-NH2 3.35Å; K21-R158 VanDerWaalsContact O-NH2 3.09Å; F119-R158 HydrophobicContact CB-CB 4.34Å; F119-R158 WeakPolarHBondContact O-CB 3.48Å; R121-R158 WeakPolarHBondContact O-CB 3.34Å; R121-R158 WeakPolarHBondContact O-CG 3.41Å; R121-R158 PolarHBondContact O-N 3.12Å; N122-R158 WeakPolarHBondContact OD1-CD 3.2Å; S156-R158 VanDerWaalsContact C-N 3.32Å; S156-R158 PolarHBondContact O-N 3.18Å; R158-Q161 PolarHBondContact O-N 3.21Å; R158-L162 VanDerWaalsContact O-CG 3.32Å; R158-L162 WeakPolarHBondContact O-CG 3.45Å; R158-L162 PolarHBondContact O-N 2.81Å
159Q97.2Very high93Very high18 Ų1818.3 Ų18.38%0.08412%0.115CC..Hα-helixtrans-75.8-35.4-175.2-169.658.614.900111.5Y144 I155 S156 I157 L162 I163Y144-Q159 HydrophobicContact CD1-CG 3.65Å; Y144-Q159 HydrophobicContact CD2-CG 3.86Å; Y144-Q159 HydrophobicContact CE1-CG 3.67Å; Y144-Q159 HydrophobicContact CE2-CG 3.86Å; Y144-Q159 HydrophobicContact CG-CG 3.77Å; Y144-Q159 VanDerWaalsContact CG-NE2 3.3Å; I155-Q159 HydrophobicContact CD1-CB 4.2Å; I155-Q159 HydrophobicContact CD1-CG 4.15Å; I155-Q159 HydrophobicContact CG1-CB 4.06Å; I155-Q159 HydrophobicContact CG1-CG 4.38Å; S156-Q159 PolarHBondContact O-N 3.16Å; S156-Q159 WeakPolarHBondContact OG-CB 3.41Å; I157-Q159 VanDerWaalsContact C-N 3.28Å; I157-Q159 PolarHBondContact O-N 3.34Å; Q159-L162 PolarHBondContact O-N 2.61Å; Q159-I163 HydrophobicContact CG-CD1 4.48Å; Q159-I163 VanDerWaalsContact O-CG1 3.3Å; Q159-I163 WeakPolarHBondContact O-CG1 3.39Å; Q159-I163 PolarHBondContact O-N 3.06Å
160L98.4Very high93.9Very high0 Ų016.5 Ų16.50%010%0.1CC..Hα-helixtrans-63.5-41.5169.5-17656.7000111.9P94 L125 L135 I155 S156 I157 L162 I163 L164 I404P94-L160 HydrophobicContact CB-CD2 3.72Å; P94-L160 HydrophobicContact CB-CG 4Å; P94-L160 HydrophobicContact CG-CD2 3.93Å; P94-L160 HydrophobicContact CG-CG 4.16Å; L125-L160 HydrophobicContact CD1-CD2 3.9Å; L135-L160 HydrophobicContact CD1-CD1 3.64Å; L135-L160 HydrophobicContact CD2-CD1 3.76Å; L135-L160 HydrophobicContact CG-CD1 4.39Å; I155-L160 HydrophobicContact CD1-CB 4.03Å; I155-L160 HydrophobicContact CG1-CB 4.31Å; I155-L160 HydrophobicContact CG2-CB 3.93Å; I155-L160 HydrophobicContact CG2-CD2 4.09Å; I155-L160 HydrophobicContact CG2-CG 4.42Å; S156-L160 PolarHBondContact O-N 2.64Å; S156-L160 VanDerWaalsContact O-N 3.14Å; I157-L160 PolarHBondContact O-N 3.42Å; L160-L162 PolarHBondContact O-N 3.06Å; L160-I163 PolarHBondContact O-N 2.99Å; L160-L164 HydrophobicContact CD1-CD1 3.87Å; L160-L164 HydrophobicContact CD1-CG 4.21Å; L160-L164 HydrophobicContact CG-CD1 3.96Å; L160-L164 WeakPolarHBondContact O-CG 3.39Å; L160-L164 PolarHBondContact O-N 3.11Å; L160-L164 VanDerWaalsContact O-N 3.1Å; L160-I404 HydrophobicContact CD2-CD1 3.65Å; L160-I404 HydrophobicContact CD2-CG1 3.94Å; L160-I404 HydrophobicContact CD2-CG2 4.36Å
161Q98.5Very high94.9Very high6 Ų614.3 Ų14.33%0.0287%0.074CC..Hα-helixtrans-61.9-40.6173.7-68.3-175.3-111.700111.9A92 P94 L97 F119 I157 R158 L165A92-Q161 PolarHBondContact O-NE2 3.44Å; P94-Q161 HydrophobicContact CG-CG 3.96Å; L97-Q161 HydrophobicContact CD1-CB 4.27Å; L97-Q161 WeakPolarHBondContact CD1-O 3.46Å; F119-Q161 HydrophobicContact CB-CB 4.41Å; F119-Q161 HydrophobicContact CD1-CB 4.27Å; F119-Q161 VanDerWaalsContact CD1-NE2 3.3Å; F119-Q161 HydrophobicContact CD2-CB 3.49Å; F119-Q161 VanDerWaalsContact CD2-CB 3.49Å; F119-Q161 HydrophobicContact CE1-CB 4.41Å; F119-Q161 HydrophobicContact CE2-CB 3.65Å; F119-Q161 WeakPolarHBondContact CE2-O 3.3Å; F119-Q161 HydrophobicContact CG-CB 3.82Å; F119-Q161 HydrophobicContact CZ-CB 4.12Å; I157-Q161 HydrophobicContact CG2-CG 4.4Å; I157-Q161 VanDerWaalsContact CG2-OE1 3.3Å; I157-Q161 WeakPolarHBondContact O-CG 3.42Å; I157-Q161 PolarHBondContact O-N 2.96Å; R158-Q161 PolarHBondContact O-N 3.21Å; Q161-L165 WeakPolarHBondContact O-CB 3.31Å; Q161-L165 PolarHBondContact O-N 3.14Å
162L98.6Very high96.2Very high1 Ų112.1 Ų12.11%0.0056%0.061CC..Hα-helixtrans-66.6-40.5177.5-72166000113.4K21 V26 F119 R158 Q159 L160 K166K21-L162 VanDerWaalsContact O-CD1 3.28Å; K21-L162 WeakPolarHBondContact O-CD1 3.33Å; V26-L162 HydrophobicContact CG2-CD2 3.96Å; F119-L162 HydrophobicContact CD2-CD2 3.9Å; F119-L162 HydrophobicContact CD2-CG 4.03Å; F119-L162 HydrophobicContact CE2-CD2 4.48Å; R158-L162 VanDerWaalsContact O-CG 3.32Å; R158-L162 WeakPolarHBondContact O-CG 3.45Å; R158-L162 PolarHBondContact O-N 2.81Å; Q159-L162 PolarHBondContact O-N 2.61Å; L160-L162 PolarHBondContact O-N 3.06Å; L162-K166 VanDerWaalsContact O-CG 3.29Å; L162-K166 WeakPolarHBondContact O-CG 3.31Å; L162-K166 PolarHBondContact O-N 2.93Å; L162-K166 VanDerWaalsContact O-N 3.15Å
163I98.6Very high97.1Very high0 Ų010.1 Ų10.10%05%0.05CC..Hα-helixtrans-61.7-52.4175.5-68.5162.7000110A140 F143 Y144 I155 Q159 L160 L165 K166 V167A140-I163 HydrophobicContact CB-CD1 4.26Å; A140-I163 HydrophobicContact CB-CG2 3.76Å; F143-I163 HydrophobicContact CB-CG1 4.22Å; F143-I163 HydrophobicContact CD2-CG2 4.38Å; Y144-I163 HydrophobicContact CD1-CD1 4.08Å; Y144-I163 HydrophobicContact CG-CD1 4.31Å; I155-I163 HydrophobicContact CD1-CD1 3.62Å; Q159-I163 HydrophobicContact CG-CD1 4.48Å; Q159-I163 VanDerWaalsContact O-CG1 3.3Å; Q159-I163 WeakPolarHBondContact O-CG1 3.39Å; Q159-I163 PolarHBondContact O-N 3.06Å; L160-I163 PolarHBondContact O-N 2.99Å; I163-L165 VanDerWaalsContact C-N 3.34Å; I163-L165 PolarHBondContact O-N 3.23Å; I163-K166 PolarHBondContact O-N 3.47Å; I163-V167 PolarHBondContact O-N 3.31Å
164L98.8Very high97.5Very high0 Ų011.1 Ų11.10%05%0.053CC..Hα-helixtrans-68.4-32.4-176.6-64.6167.4000112.3P94 L97 R98 I101 L135 L138 L160 V167 C168 F408P94-L164 HydrophobicContact CB-CD1 4.12Å; P94-L164 WeakPolarHBondContact O-CD1 3.24Å; L97-L164 HydrophobicContact CB-CB 3.65Å; L97-L164 HydrophobicContact CB-CD1 4.38Å; L97-L164 HydrophobicContact CD1-CB 3.93Å; L97-L164 HydrophobicContact CG-CB 4.41Å; R98-L164 HydrophobicContact CB-CD1 4.47Å; I101-L164 HydrophobicContact CD1-CB 4.41Å; I101-L164 HydrophobicContact CD1-CD2 3.71Å; L135-L164 HydrophobicContact CD2-CD2 3.87Å; L135-L164 HydrophobicContact CD2-CG 4.45Å; L138-L164 HydrophobicContact CD1-CD2 4.19Å; L160-L164 HydrophobicContact CD1-CD1 3.87Å; L160-L164 HydrophobicContact CD1-CG 4.21Å; L160-L164 HydrophobicContact CG-CD1 3.96Å; L160-L164 WeakPolarHBondContact O-CG 3.39Å; L160-L164 PolarHBondContact O-N 3.11Å; L160-L164 VanDerWaalsContact O-N 3.1Å; L164-V167 PolarHBondContact O-N 2.98Å; L164-C168 WeakPolarHBondContact O-CB 3.35Å; L164-C168 PolarHBondContact O-N 3.35Å; L164-C168 PolarHBondContact O-SG 2.99Å; L164-F408 HydrophobicContact CD1-CZ 4.16Å
165L98.8Very high97.7Very high0 Ų011.4 Ų11.40%06%0.055CC..Hα-helixtrans-62.6-42.917217663.9000111.9V26 L97 F119 Q161 I163 V167 C168 L169 V175V26-L165 HydrophobicContact CB-CD2 4.15Å; V26-L165 HydrophobicContact CG1-CD2 3.78Å; V26-L165 HydrophobicContact CG1-CG 3.95Å; L97-L165 HydrophobicContact CD1-CB 4.47Å; F119-L165 HydrophobicContact CE2-CB 3.94Å; F119-L165 HydrophobicContact CE2-CD2 3.62Å; F119-L165 HydrophobicContact CE2-CG 4.35Å; F119-L165 HydrophobicContact CZ-CB 4.41Å; F119-L165 HydrophobicContact CZ-CD2 4.04Å; Q161-L165 WeakPolarHBondContact O-CB 3.31Å; Q161-L165 PolarHBondContact O-N 3.14Å; I163-L165 VanDerWaalsContact C-N 3.34Å; I163-L165 PolarHBondContact O-N 3.23Å; L165-V167 VanDerWaalsContact C-N 3.31Å; L165-V167 PolarHBondContact O-N 3.47Å; L165-C168 PolarHBondContact O-N 3.15Å; L165-L169 HydrophobicContact CD1-CD1 4.01Å; L165-L169 HydrophobicContact CD1-CG 4.08Å; L165-L169 HydrophobicContact CG-CD1 4.02Å; L165-L169 HydrophobicContact CG-CG 4.49Å; L165-L169 WeakPolarHBondContact O-CG 3.14Å; L165-L169 PolarHBondContact O-N 3.46Å; L165-V175 HydrophobicContact CD1-CB 4.19Å; L165-V175 HydrophobicContact CD1-CG1 3.85Å; L165-V175 HydrophobicContact CD1-CG2 4.08Å
166K98.6Very high97.8Very high2 Ų212.9 Ų12.91%0.0096%0.062CC..Hα-helixtrans-60.6-41.7177-71.2167.2-173.61780111F17 V18 A20 V26 F143 L162 I163 I170F17-K166 HydrophobicContact CE1-CB 4.24Å; F17-K166 HydrophobicContact CE1-CG 4.34Å; F17-K166 HydrophobicContact CE2-CB 4.29Å; F17-K166 HydrophobicContact CE2-CG 3.96Å; F17-K166 HydrophobicContact CZ-CB 3.69Å; F17-K166 HydrophobicContact CZ-CG 3.8Å; F17-K166 WeakPolarHBondContact O-CE 3.29Å; V18-K166 PolarHBondContact O-NZ 2.89Å; A20-K166 PolarHBondContact O-NZ 2.92Å; V26-K166 HydrophobicContact CG1-CG 3.86Å; V26-K166 HydrophobicContact CG2-CD 4.49Å; V26-K166 VanDerWaalsContact CG2-CE 3.42Å; V26-K166 HydrophobicContact CG2-CG 4.23Å; F143-K166 HydrophobicContact CB-CD 4.17Å; F143-K166 HydrophobicContact CD1-CB 4Å; F143-K166 HydrophobicContact CD1-CD 3.73Å; F143-K166 HydrophobicContact CD1-CG 4.42Å; F143-K166 HydrophobicContact CE1-CB 4Å; F143-K166 HydrophobicContact CE1-CD 4.45Å; F143-K166 HydrophobicContact CG-CB 4.38Å; F143-K166 HydrophobicContact CG-CD 4.14Å; F143-K166 HydrophobicContact CZ-CB 4.38Å; L162-K166 VanDerWaalsContact O-CG 3.29Å; L162-K166 WeakPolarHBondContact O-CG 3.31Å; L162-K166 PolarHBondContact O-N 2.93Å; L162-K166 VanDerWaalsContact O-N 3.15Å; I163-K166 PolarHBondContact O-N 3.47Å; K166-I170 WeakPolarHBondContact O-CB 3.2Å; K166-I170 WeakPolarHBondContact O-CG1 3.38Å; K166-I170 PolarHBondContact O-N 3.07Å; K166-I170 VanDerWaalsContact O-N 3.11Å
167V98.6Very high97.8Very high0 Ų014.5 Ų14.50%07%0.072CC..Hα-helixtrans-68.5-44.2175.8-178.10000112.1L67 I101 L138 F143 I163 L164 L165 L169 I170 L171L67-V167 HydrophobicContact CD2-CG1 3.99Å; I101-V167 HydrophobicContact CD1-CB 3.85Å; I101-V167 HydrophobicContact CD1-CG1 3.69Å; I101-V167 HydrophobicContact CG1-CB 4.42Å; I101-V167 HydrophobicContact CG1-CG1 3.96Å; I101-V167 HydrophobicContact CG2-CG1 4.36Å; L138-V167 HydrophobicContact CB-CG2 4.45Å; L138-V167 HydrophobicContact CD2-CG1 4.4Å; L138-V167 WeakPolarHBondContact O-CG2 3.42Å; F143-V167 HydrophobicContact CD2-CG2 4.27Å; F143-V167 HydrophobicContact CE2-CG2 3.66Å; F143-V167 HydrophobicContact CZ-CG2 4.39Å; I163-V167 PolarHBondContact O-N 3.31Å; L164-V167 PolarHBondContact O-N 2.98Å; L165-V167 VanDerWaalsContact C-N 3.31Å; L165-V167 PolarHBondContact O-N 3.47Å; V167-L169 VanDerWaalsContact C-N 3.33Å; V167-L169 PolarHBondContact O-N 3.34Å; V167-I170 PolarHBondContact O-N 2.92Å; V167-L171 HydrophobicContact CG1-CD1 3.92Å; V167-L171 HydrophobicContact CG1-CG 4.4Å; V167-L171 WeakPolarHBondContact O-CG 3.19Å; V167-L171 PolarHBondContact O-N 3.35Å
168C98.5Very high97.8Very high0 Ų014.9 Ų14.90%08%0.081CC..Hα-helixtrans-54.3-48.7175.1-72.90000111.8L97 L164 L165 L171 G172 V173 V175L97-C168 PolarHBondContact O-SG 3.32Å; L164-C168 WeakPolarHBondContact O-CB 3.35Å; L164-C168 PolarHBondContact O-N 3.35Å; L164-C168 PolarHBondContact O-SG 2.99Å; L165-C168 PolarHBondContact O-N 3.15Å; C168-L171 PolarHBondContact O-N 2.91Å; C168-G172 PolarHBondContact O-N 3.41Å; C168-V173 HydrophobicContact CB-CB 3.99Å; C168-V173 HydrophobicContact CB-CG1 4.42Å; C168-V173 HydrophobicContact CB-CG2 4.16Å; C168-V173 VanDerWaalsContact O-CB 3.3Å; C168-V173 WeakPolarHBondContact O-CB 3.37Å; C168-V173 WeakPolarHBondContact O-CG2 3.43Å; C168-V173 PolarHBondContact O-N 3.45Å; C168-V175 HydrophobicContact CB-CG2 4.34Å
169L98.1Very high97.8Very high14 Ų1411.5 Ų11.57%0.0737%0.068CC..Hα-helixtrans-64.2-45.3-179.8-70.9171.6000111.6F17 V26 F30 F47 L165 V167 L171 G172 V175F17-L169 HydrophobicContact CE2-CD1 4.27Å; V26-L169 HydrophobicContact CG1-CD1 3.74Å; F30-L169 HydrophobicContact CB-CD1 4.13Å; F30-L169 HydrophobicContact CD1-CB 3.87Å; F30-L169 HydrophobicContact CD1-CD1 4.24Å; F30-L169 HydrophobicContact CD1-CD2 4Å; F30-L169 HydrophobicContact CD1-CG 4.26Å; F30-L169 HydrophobicContact CD2-CB 4Å; F30-L169 HydrophobicContact CE1-CB 3.78Å; F30-L169 HydrophobicContact CE1-CD2 4.21Å; F30-L169 HydrophobicContact CE2-CB 3.92Å; F30-L169 HydrophobicContact CG-CB 3.97Å; F30-L169 HydrophobicContact CG-CD1 4.09Å; F30-L169 HydrophobicContact CG-CG 4.46Å; F30-L169 HydrophobicContact CZ-CB 3.81Å; F30-L169 WeakPolarHBondContact CZ-O 3.26Å; F47-L169 WeakPolarHBondContact CE1-O 3.41Å; L165-L169 HydrophobicContact CD1-CD1 4.01Å; L165-L169 HydrophobicContact CD1-CG 4.08Å; L165-L169 HydrophobicContact CG-CD1 4.02Å; L165-L169 HydrophobicContact CG-CG 4.49Å; L165-L169 WeakPolarHBondContact O-CG 3.14Å; L165-L169 PolarHBondContact O-N 3.46Å; V167-L169 VanDerWaalsContact C-N 3.33Å; V167-L169 PolarHBondContact O-N 3.34Å; L169-L171 VanDerWaalsContact C-N 3.26Å; L169-L171 PolarHBondContact O-N 2.95Å; L169-G172 PolarHBondContact O-N 3.2Å; L169-V175 HydrophobicContact CD2-CB 4.48Å; L169-V175 HydrophobicContact CD2-CG2 4.41Å
170I97.8Very high97.7Very high1 Ų114 Ų141%0.0058%0.08CC..Hα-helixtrans-54.2-41.9174.6-80.1166.5000112.2F17 F30 Y48 L51 V63 W64 L67 F143 K166 V167 G172F17-I170 HydrophobicContact CE1-CD1 3.99Å; F17-I170 HydrophobicContact CE1-CG1 4.22Å; F17-I170 HydrophobicContact CZ-CD1 4.3Å; F17-I170 HydrophobicContact CZ-CG1 4.22Å; F30-I170 HydrophobicContact CE2-CG1 4.48Å; Y48-I170 HydrophobicContact CD2-CG2 3.76Å; Y48-I170 HydrophobicContact CE2-CG2 3.83Å; L51-I170 HydrophobicContact CD2-CB 4.41Å; L51-I170 HydrophobicContact CD2-CG1 4.29Å; L51-I170 HydrophobicContact CD2-CG2 4.36Å; V63-I170 HydrophobicContact CG1-CD1 4.35Å; W64-I170 HydrophobicContact CH2-CG2 4.46Å; W64-I170 HydrophobicContact CZ3-CD1 4.17Å; W64-I170 HydrophobicContact CZ3-CG1 4.31Å; W64-I170 HydrophobicContact CZ3-CG2 3.7Å; L67-I170 HydrophobicContact CD1-CG2 3.63Å; F143-I170 HydrophobicContact CE1-CD1 4.06Å; F143-I170 HydrophobicContact CZ-CD1 3.63Å; K166-I170 WeakPolarHBondContact O-CB 3.2Å; K166-I170 WeakPolarHBondContact O-CG1 3.38Å; K166-I170 PolarHBondContact O-N 3.07Å; K166-I170 VanDerWaalsContact O-N 3.11Å; V167-I170 PolarHBondContact O-N 2.92Å; I170-G172 VanDerWaalsContact C-N 3.26Å; I170-G172 PolarHBondContact O-N 3.07Å
171L97.4Very high97.6Very high12 Ų1214.8 Ų14.86%0.0638%0.083CC..THydrogen-bonded Turntrans-78.6-4.2-178.8-66.6174.9000114Y48 L67 I101 S104 L105 V167 C168 L169Y48-L171 HydrophobicContact CD2-CD2 4.24Å; Y48-L171 HydrophobicContact CG-CD2 4.27Å; L67-L171 HydrophobicContact CD1-CD2 4.5Å; I101-L171 HydrophobicContact CB-CD1 4.35Å; I101-L171 HydrophobicContact CG1-CD1 4.37Å; I101-L171 HydrophobicContact CG2-CD1 3.83Å; S104-L171 PolarHBondContact OG-O 3.35Å; L105-L171 HydrophobicContact CD2-CD1 4.29Å; L105-L171 HydrophobicContact CD2-CD2 4.15Å; L105-L171 HydrophobicContact CG-CD1 4.32Å; V167-L171 HydrophobicContact CG1-CD1 3.92Å; V167-L171 HydrophobicContact CG1-CG 4.4Å; V167-L171 WeakPolarHBondContact O-CG 3.19Å; V167-L171 PolarHBondContact O-N 3.35Å; C168-L171 PolarHBondContact O-N 2.91Å; L169-L171 VanDerWaalsContact C-N 3.26Å; L169-L171 PolarHBondContact O-N 2.95Å
172G96.6Very high97.5Very high11 Ų1119.5 Ų19.511%0.11310%0.104CC..THydrogen-bonded Turntrans90.716.7178.400000115.4C168 L169 I170C168-G172 PolarHBondContact O-N 3.41Å; L169-G172 PolarHBondContact O-N 3.2Å; I170-G172 VanDerWaalsContact C-N 3.26Å; I170-G172 PolarHBondContact O-N 3.07Å
173V98.1Very high97.3Very high5 Ų520.4 Ų20.43%0.0311%0.113CC..  trans-70.3129175.8-179.90000110.6A100 V110 L112 C168 V175A100-V173 HydrophobicContact CB-CG1 4.15Å; A100-V173 HydrophobicContact CB-CG2 4.44Å; V110-V173 HydrophobicContact CB-CG1 4.14Å; V110-V173 HydrophobicContact CB-CG2 4.3Å; V110-V173 HydrophobicContact CG1-CG1 3.92Å; L112-V173 HydrophobicContact CB-CG1 4.27Å; C168-V173 HydrophobicContact CB-CB 3.99Å; C168-V173 HydrophobicContact CB-CG1 4.42Å; C168-V173 HydrophobicContact CB-CG2 4.16Å; C168-V173 VanDerWaalsContact O-CB 3.3Å; C168-V173 WeakPolarHBondContact O-CB 3.37Å; C168-V173 WeakPolarHBondContact O-CG2 3.43Å; C168-V173 PolarHBondContact O-N 3.45Å; V173-V175 HydrophobicContact CB-CG2 4.39Å; V173-V175 HydrophobicContact CG1-CG2 3.9Å; V173-V175 PolarHBondContact O-N 2.98Å
174E97.2Very high97.2Very high64 Ų6422.2 Ų22.230%0.29912%0.122SC..EExtended strand (participates in β ladder)trans-83.196.2-179.1-163.8-173.3134.300110.8V110 V111 L112 H176V110-E174 PolarHBondContact O-N 3.41Å; V111-E174 HydrophobicContact CG2-CB 4.17Å; L112-E174 PolarHBondContact N-O 3.45Å; E174-H176 IonicContact OE1-CD2 3.87Å; E174-H176 IonicContact OE1-CE1 3.94Å; E174-H176 PolarHBondContact OE1-CE1 3.2Å; E174-H176 VanDerWaalsContact OE1-CE1 3.28Å; E174-H176 IonicContact OE1-NE2 2.71Å; E174-H176 PolarHBondContact OE1-NE2 3.13Å
175V97.5Very high97Very high10 Ų1025.4 Ų25.46%0.06114%0.139CC..EExtended strand (participates in β ladder)trans-99.4109.6-172.4-176.70000113.5K27 L112 L165 C168 L169 V173K27-V175 WeakPolarHBondContact CE-O 3.33Å; K27-V175 PolarHBondContact NZ-O 2.99Å; L112-V175 HydrophobicContact CB-CG2 4.37Å; L112-V175 HydrophobicContact CD2-CG1 4.03Å; L165-V175 HydrophobicContact CD1-CB 4.19Å; L165-V175 HydrophobicContact CD1-CG1 3.85Å; L165-V175 HydrophobicContact CD1-CG2 4.08Å; C168-V175 HydrophobicContact CB-CG2 4.34Å; L169-V175 HydrophobicContact CD2-CB 4.48Å; L169-V175 HydrophobicContact CD2-CG2 4.41Å; V173-V175 HydrophobicContact CB-CG2 4.39Å; V173-V175 HydrophobicContact CG1-CG2 3.9Å; V173-V175 PolarHBondContact O-N 2.98Å
176H97.2Very high96.9Very high32 Ų3229.6 Ų29.615%0.14816%0.158CC..EExtended strand (participates in β ladder)trans-96.7143.1174.5-60.2-63.2000112.3L112 L113 E114 E174 V179 H202L112-H176 PolarHBondContact O-N 3.31Å; L113-H176 HydrophobicContact CD2-CB 3.89Å; E114-H176 PolarHBondContact N-O 3.4Å; E174-H176 IonicContact OE1-CD2 3.87Å; E174-H176 IonicContact OE1-CE1 3.94Å; E174-H176 PolarHBondContact OE1-CE1 3.2Å; E174-H176 VanDerWaalsContact OE1-CE1 3.28Å; E174-H176 IonicContact OE1-NE2 2.71Å; E174-H176 PolarHBondContact OE1-NE2 3.13Å; H176-V179 HydrophobicContact CB-CG2 4.11Å; H176-H202 AromaticContact CD2-CE1 3.94Å; H176-H202 AromaticContact CE1-CE1 3.77Å; H176-H202 AromaticContact CG-CE1 3.46Å; H176-H202 VanDerWaalsContact CG-CE1 3.46Å; H176-H202 AromaticContact ND1-CE1 3.36Å; H176-H202 PolarHBondContact ND1-CE1 2.86Å; H176-H202 AromaticContact ND1-NE2 3.67Å
177T96.8Very high96.7Very high36 Ų3629.5 Ų29.522%0.22116%0.158CC..EExtended strand (participates in β ladder)trans-136.8145.3-174.649.80000108.9K27 E114 R116 V179K27-T177 HydrophobicContact CD-CG2 4.13Å; K27-T177 PolarHBondContact NZ-OG1 2.83Å; E114-T177 HydrophobicContact CB-CG2 4.41Å; E114-T177 CarbonylContact O-C 3.48Å; E114-T177 WeakPolarHBondContact O-CA 3.14Å; R116-T177 WeakPolarHBondContact O-CB 3.33Å; T177-V179 VanDerWaalsContact C-N 3.31Å
178G96.1Very high96.3Very high27 Ų2731.5 Ų31.528%0.27817%0.172SC..SBendtrans74.819.2-170.100000113.6E114 R116E114-G178 PolarHBondContact O-N 2.94Å; R116-G178 PolarHBondContact O-N 3.36Å
179V96.6Very high95.6Very high3 Ų337.6 Ų37.62%0.01821%0.209CC..  trans-120.1111-174.8-177.10000109.9L113 E114 K115 H176 T177 L197L113-V179 HydrophobicContact CD2-CG1 4.27Å; E114-V179 CarbonylContact C-O 3.57Å; E114-V179 PolarHBondContact O-N 3.28Å; K115-V179 WeakPolarHBondContact CA-O 3.39Å; H176-V179 HydrophobicContact CB-CG2 4.11Å; T177-V179 VanDerWaalsContact C-N 3.31Å; V179-L197 HydrophobicContact CG1-CB 4.23Å; V179-L197 HydrophobicContact CG1-CD1 3.88Å; V179-L197 HydrophobicContact CG1-CD2 4.47Å; V179-L197 HydrophobicContact CG1-CG 4.43Å
180E95.6Very high94.9Very high70 Ų7045 Ų4533%0.32724%0.243SC..EExtended strand (participates in β ladder)trans-93.8127.2-176.8-160.4-166164.100111.6K115 K182 L197 Q198K115-E180 HydrophobicContact CB-CB 4.04Å; K115-E180 HydrophobicContact CB-CG 3.94Å; K115-E180 HydrophobicContact CD-CG 4.2Å; E180-K182 WeakPolarHBondContact OE1-CE 3.32Å; E180-K182 IonicContact OE1-NZ 3.27Å; E180-K182 PolarHBondContact OE1-NZ 2.88Å; E180-K182 WeakPolarHBondContact OE2-CE 3.42Å; E180-K182 IonicContact OE2-NZ 2.73Å; E180-K182 PolarHBondContact OE2-NZ 2.85Å; E180-L197 CarbonylContact O-C 3.59Å; E180-L197 WeakPolarHBondContact O-CA 3.18Å; E180-Q198 HydrophobicContact CB-CB 4.34Å; E180-Q198 PolarHBondContact N-O 2.97Å; E180-Q198 PolarHBondContact O-N 3.47Å
181Y96.3Very high94.6Very high17 Ų1749.8 Ų49.87%0.06726%0.264CS..EExtended strand (participates in β ladder)trans-77.6132.4172175.2-89.7000111.2L90 G183 L184 A195 L197 F212 F220L90-Y181 HydrophobicContact CD1-CG 4.28Å; L90-Y181 HydrophobicContact CD2-CD1 3.68Å; L90-Y181 HydrophobicContact CD2-CE1 4.29Å; L90-Y181 HydrophobicContact CD2-CG 3.89Å; Y181-G183 WeakPolarHBondContact CE2-O 3.16Å; Y181-L184 VanDerWaalsContact OH-CD2 3.29Å; Y181-L184 WeakPolarHBondContact OH-CD2 3.44Å; Y181-L184 VanDerWaalsContact OH-CG 3.31Å; Y181-L184 WeakPolarHBondContact OH-CG 3.21Å; Y181-L184 PolarHBondContact OH-N 2.7Å; Y181-A195 HydrophobicContact CD2-CB 3.89Å; Y181-A195 HydrophobicContact CE2-CB 3.84Å; Y181-L197 HydrophobicContact CD2-CD2 4.32Å; Y181-F212 HydrophobicContact CD2-CE2 4.44Å; Y181-F212 HydrophobicContact CD2-CZ 4.41Å; Y181-F212 HydrophobicContact CE1-CE1 4.42Å; Y181-F212 AromaticContact CE1-CZ 3.87Å; Y181-F212 HydrophobicContact CE1-CZ 3.87Å; Y181-F212 AromaticContact CE2-CE2 3.96Å; Y181-F212 HydrophobicContact CE2-CE2 3.96Å; Y181-F212 AromaticContact CE2-CZ 3.76Å; Y181-F212 HydrophobicContact CE2-CZ 3.76Å; Y181-F212 AromaticContact CZ-CE1 3.91Å; Y181-F212 AromaticContact CZ-CZ 3.44Å; Y181-F212 VanDerWaalsContact CZ-CZ 3.44Å; Y181-F212 WeakPolarHBondContact OH-CE1 3.35Å; Y181-F212 WeakPolarHBondContact OH-CZ 3.39Å; Y181-F220 HydrophobicContact CD1-CE1 4.32Å; Y181-F220 AromaticContact CD1-CZ 3.84Å; Y181-F220 HydrophobicContact CD1-CZ 3.84Å; Y181-F220 HydrophobicContact CE1-CE1 4.33Å; Y181-F220 AromaticContact CE1-CZ 3.78Å; Y181-F220 HydrophobicContact CE1-CZ 3.78Å
182K95.3Very high94.5Very high105 Ų10549.8 Ų49.846%0.45727%0.267SS..EExtended strand (participates in β ladder)trans-1215-177.5-62.9-63.6-170-174.80114.3E180 K196 Q198E180-K182 WeakPolarHBondContact OE1-CE 3.32Å; E180-K182 IonicContact OE1-NZ 3.27Å; E180-K182 PolarHBondContact OE1-NZ 2.88Å; E180-K182 WeakPolarHBondContact OE2-CE 3.42Å; E180-K182 IonicContact OE2-NZ 2.73Å; E180-K182 PolarHBondContact OE2-NZ 2.85Å; K182-K196 WeakPolarHBondContact CA-O 3.41Å; K182-K196 HydrophobicContact CB-CB 4.47Å; K182-K196 HydrophobicContact CB-CD 4.24Å; K182-K196 HydrophobicContact CB-CG 4.16Å; K182-K196 PolarHBondContact N-O 3.18Å; K182-Q198 HydrophobicContact CG-CB 4.14Å
183G95Very high94.5Very high19 Ų1949.3 Ų49.320%0.19626%0.262CS..EExtended strand (participates in β ladder)trans136.8174.1176.500000114.4Y181 K196Y181-G183 WeakPolarHBondContact CE2-O 3.16Å; G183-K196 WeakPolarHBondContact O-CB 3.44Å; G183-K196 PolarHBondContact O-N 2.94Å
184L95.7Very high94.5Very high39 Ų3950.1 Ų50.120%0.20427%0.265CS..EExtended strand (participates in β ladder)trans-81.4149.3173.5-65.6175.9000111Y181 W193 F209 F212 L384 I386Y181-L184 VanDerWaalsContact OH-CD2 3.29Å; Y181-L184 WeakPolarHBondContact OH-CD2 3.44Å; Y181-L184 VanDerWaalsContact OH-CG 3.31Å; Y181-L184 WeakPolarHBondContact OH-CG 3.21Å; Y181-L184 PolarHBondContact OH-N 2.7Å; L184-W193 HydrophobicContact CB-CE3 4.27Å; L184-W193 HydrophobicContact CB-CZ3 4.28Å; L184-W193 HydrophobicContact CD1-CE3 4.15Å; L184-W193 HydrophobicContact CD1-CZ3 3.94Å; L184-F209 HydrophobicContact CD2-CE2 3.87Å; L184-F209 HydrophobicContact CD2-CZ 3.87Å; L184-F212 HydrophobicContact CD2-CD1 4.19Å; L184-F212 HydrophobicContact CD2-CE1 4.48Å; L184-L384 HydrophobicContact CD1-CD2 3.57Å; L184-L384 HydrophobicContact CD2-CD2 3.84Å; L184-L384 HydrophobicContact CG-CD2 4.36Å; L184-I386 HydrophobicContact CD1-CD1 3.82Å
185I95.9Very high94.5Very high67 Ų6747.2 Ų47.234%0.34425%0.252SS..EExtended strand (participates in β ladder)trans-105.9119.8164.4-59.4172000106.6M194 K196I185-M194 HydrophobicContact CB-CB 4.22Å; I185-M194 HydrophobicContact CD1-CB 4.38Å; I185-M194 HydrophobicContact CG2-CE 4.1Å; I185-M194 PolarHBondContact N-O 3.02Å; I185-M194 PolarHBondContact O-N 2.85Å; I185-K196 HydrophobicContact CD1-CB 4.27Å; I185-K196 HydrophobicContact CG1-CB 4.04Å
186E95.1Very high94.5Very high87 Ų8752.8 Ų52.841%0.40728%0.275SS..  trans-65.3144.9177.3-67.4-158.2165.100111.2W193 R379E186-W193 HydrophobicContact CB-CZ3 4.42Å; E186-W193 HydrophobicContact CG-CH2 4.2Å; E186-W193 HydrophobicContact CG-CZ3 3.89Å; E186-R379 VanDerWaalsContact CD-NE 3.28Å; E186-R379 HydrophobicContact CG-CG 4.35Å; E186-R379 IonicContact OE1-CZ 3.38Å; E186-R379 IonicContact OE1-NE 2.63Å; E186-R379 PolarHBondContact OE1-NE 2.95Å; E186-R379 IonicContact OE1-NH2 2.72Å; E186-R379 PolarHBondContact OE1-NH2 2.77Å; E186-R379 WeakPolarHBondContact OE2-CD 3.48Å; E186-R379 IonicContact OE2-NE 3.6Å; E186-R379 PolarHBondContact OE2-NE 3Å
187P94.7Very high94.5Very high0 Ų051.5 Ų51.50%027%0.27CS..  trans-63.3150.2-175.225-35.8000112.9K191 W193 R379 R380 K382P187-K191 CarbonylContact C-O 3.51Å; P187-K191 VanDerWaalsContact CA-O 3.31Å; P187-K191 WeakPolarHBondContact CA-O 3.45Å; P187-K191 WeakPolarHBondContact CB-O 3.32Å; P187-W193 HydrophobicContact CG-CD2 4.35Å; P187-R379 HydrophobicContact CG-CB 3.52Å; P187-R379 WeakPolarHBondContact CG-O 3.33Å; P187-R380 WeakPolarHBondContact O-CD 3.39Å; P187-R380 PolarHBondContact O-NE 2.89Å; P187-K382 HydrophobicContact CB-CB 3.91Å; P187-K382 HydrophobicContact CB-CG 3.97Å; P187-K382 HydrophobicContact CG-CB 3.85Å; P187-K382 HydrophobicContact CG-CG 4.35Å
188S90.9Very high94.4Very high43 Ų4354.7 Ų54.730%0.30128%0.282SS..  trans-95.7-162.5171.578.90000110.6E190 K191S188-E190 PolarHBondContact OG-N 2.8Å; S188-K191 PolarHBondContact N-O 3.08Å; S188-K191 PolarHBondContact OG-N 2.88Å
189V83Confident94.4Very high128 Ų12855.9 Ų55.978%0.77629%0.285SS*.SBendtrans-71.7-36.2171.4-178.80000110.8
190E84.5Confident94.3Very high168 Ų16860.1 Ų60.179%0.78531%0.312SS*.SBendtrans-100.9-31.5-173.5-62.4173170.100113.1S188S188-E190 PolarHBondContact OG-N 2.8Å
191K91.1Very high94.2Very high102 Ų10261.8 Ų61.844%0.44333%0.332SS..  trans-107.8135.9-173.4-58-175.4-177.7-177.50111.3P187 S188 M194P187-K191 CarbonylContact C-O 3.51Å; P187-K191 VanDerWaalsContact CA-O 3.31Å; P187-K191 WeakPolarHBondContact CA-O 3.45Å; P187-K191 WeakPolarHBondContact CB-O 3.32Å; S188-K191 PolarHBondContact N-O 3.08Å; S188-K191 PolarHBondContact OG-N 2.88Å; K191-M194 HydrophobicContact CB-CE 3.95Å; K191-M194 HydrophobicContact CB-SD 4.29Å; K191-M194 HydrophobicContact CD-CE 3.82Å; K191-M194 HydrophobicContact CD-SD 3.95Å
192G95.2Very high94.2Very high12 Ų1262.8 Ų62.812%0.12434%0.337CS..  trans-69.5-167.1168.200000113.1
193W97.7Very high94.1Very high2 Ų262.5 Ų62.51%0.00835%0.346CS..BIsolated β-bridgetrans-65.8138.3175.5-65.488.5000110.5L184 E186 P187 Q208 F209 R377 R379 K382 L384L184-W193 HydrophobicContact CB-CE3 4.27Å; L184-W193 HydrophobicContact CB-CZ3 4.28Å; L184-W193 HydrophobicContact CD1-CE3 4.15Å; L184-W193 HydrophobicContact CD1-CZ3 3.94Å; E186-W193 HydrophobicContact CB-CZ3 4.42Å; E186-W193 HydrophobicContact CG-CH2 4.2Å; E186-W193 HydrophobicContact CG-CZ3 3.89Å; P187-W193 HydrophobicContact CG-CD2 4.35Å; W193-Q208 VanDerWaalsContact O-CA 3.28Å; W193-Q208 WeakPolarHBondContact O-CA 3.4Å; W193-F209 HydrophobicContact CB-CD2 4.44Å; W193-F209 HydrophobicContact CB-CE2 4.23Å; W193-F209 PolarHBondContact O-N 3.25Å; W193-R377 HydrophobicContact CH2-CB 3.71Å; W193-R377 HydrophobicContact CH2-CG 4.49Å; W193-R377 HydrophobicContact CZ2-CB 3.65Å; W193-R379 HydrophobicContact CH2-CB 4.38Å; W193-R379 HydrophobicContact CH2-CG 3.49Å; W193-R379 VanDerWaalsContact CH2-CG 3.49Å; W193-R379 HydrophobicContact CZ2-CB 3.91Å; W193-R379 HydrophobicContact CZ2-CG 3.42Å; W193-R379 VanDerWaalsContact CZ2-CG 3.42Å; W193-K382 PolarHBondContact NE1-O 2.92Å; W193-K382 VanDerWaalsContact NE1-O 3.09Å; W193-L384 HydrophobicContact CB-CD2 4.25Å; W193-L384 HydrophobicContact CD2-CB 3.91Å; W193-L384 HydrophobicContact CD2-CD2 3.72Å; W193-L384 HydrophobicContact CD2-CG 4.43Å; W193-L384 HydrophobicContact CE3-CD2 3.8Å; W193-L384 HydrophobicContact CG-CB 3.88Å; W193-L384 HydrophobicContact CG-CD2 3.97Å; W193-L384 HydrophobicContact CG-CG 4.39Å; W193-L384 HydrophobicContact CZ2-CB 4.26Å; W193-L384 HydrophobicContact CZ3-CD2 4.33Å
194M97.7Very high94.1Very high22 Ų2261.9 Ų61.911%0.10834%0.339CS..EExtended strand (participates in β ladder)trans-134.5169.2178.9-62.8173.6-65.900109.7I185 K191 Q208 F209I185-M194 HydrophobicContact CB-CB 4.22Å; I185-M194 HydrophobicContact CD1-CB 4.38Å; I185-M194 HydrophobicContact CG2-CE 4.1Å; I185-M194 PolarHBondContact N-O 3.02Å; I185-M194 PolarHBondContact O-N 2.85Å; K191-M194 HydrophobicContact CB-CE 3.95Å; K191-M194 HydrophobicContact CB-SD 4.29Å; K191-M194 HydrophobicContact CD-CE 3.82Å; K191-M194 HydrophobicContact CD-SD 3.95Å; M194-Q208 HydrophobicContact CG-CG 3.66Å; M194-Q208 HydrophobicContact SD-CG 4.03Å; M194-F209 VanDerWaalsContact C-CE1 3.42Å
195A97.1Very high94.1Very high2 Ų261.2 Ų61.22%0.01734%0.339CS..EExtended strand (participates in β ladder)trans-105.8135.6179.100000111.5L88 Y181 L197 F209L88-A195 HydrophobicContact CD2-CB 3.67Å; Y181-A195 HydrophobicContact CD2-CB 3.89Å; Y181-A195 HydrophobicContact CE2-CB 3.84Å; A195-L197 HydrophobicContact CB-CD2 3.65Å; A195-L197 HydrophobicContact CB-CG 4.23Å; A195-L197 PolarHBondContact O-N 3.16Å; A195-F209 HydrophobicContact CB-CE1 3.99Å; A195-F209 HydrophobicContact CB-CZ 4.21Å
196K96.8Very high94.1Very high127 Ų12761.5 Ų61.555%0.55235%0.351SS*.EExtended strand (participates in β ladder)trans-79.6112.9167.3-173.9-177.7180-179.50107.8K182 G183 I185K182-K196 WeakPolarHBondContact CA-O 3.41Å; K182-K196 HydrophobicContact CB-CB 4.47Å; K182-K196 HydrophobicContact CB-CD 4.24Å; K182-K196 HydrophobicContact CB-CG 4.16Å; K182-K196 PolarHBondContact N-O 3.18Å; G183-K196 WeakPolarHBondContact O-CB 3.44Å; G183-K196 PolarHBondContact O-N 2.94Å; I185-K196 HydrophobicContact CD1-CB 4.27Å; I185-K196 HydrophobicContact CG1-CB 4.04Å
197L97.2Very high94.2Very high6 Ų658.6 Ų58.63%0.03134%0.338CS..EExtended strand (participates in β ladder)trans-111.5156.1-175.8-54.4-173.4000112.1L113 V179 E180 Y181 A195 P199 P200 A204 A205L113-L197 HydrophobicContact CD1-CD1 4.23Å; L113-L197 HydrophobicContact CD1-CD2 3.47Å; L113-L197 VanDerWaalsContact CD1-CD2 3.47Å; V179-L197 HydrophobicContact CG1-CB 4.23Å; V179-L197 HydrophobicContact CG1-CD1 3.88Å; V179-L197 HydrophobicContact CG1-CD2 4.47Å; V179-L197 HydrophobicContact CG1-CG 4.43Å; E180-L197 CarbonylContact O-C 3.59Å; E180-L197 WeakPolarHBondContact O-CA 3.18Å; Y181-L197 HydrophobicContact CD2-CD2 4.32Å; A195-L197 HydrophobicContact CB-CD2 3.65Å; A195-L197 HydrophobicContact CB-CG 4.23Å; A195-L197 PolarHBondContact O-N 3.16Å; L197-P199 CarbonylContact O-C 3.39Å; L197-P200 WeakPolarHBondContact O-CA 3.49Å; L197-A204 HydrophobicContact CD1-CB 3.89Å; L197-A205 HydrophobicContact CB-CB 4.43Å; L197-A205 HydrophobicContact CD1-CB 4.07Å; L197-A205 HydrophobicContact CG-CB 4.23Å
198Q95.6Very high94.3Very high102 Ų10262.3 Ų62.348%0.47736%0.355SS..EExtended strand (participates in β ladder)trans-120.6121.6164.5179.663.323.800108.2E180 K182E180-Q198 HydrophobicContact CB-CB 4.34Å; E180-Q198 PolarHBondContact N-O 2.97Å; E180-Q198 PolarHBondContact O-N 3.47Å; K182-Q198 HydrophobicContact CG-CB 4.14Å
199P96.1Very high94.7Very high52 Ų5260.7 Ų60.734%0.33834%0.342SS..SBendcis-69.8146.7-3.929.7-34.2000112.8L197 S201 H202L197-P199 CarbonylContact O-C 3.39Å; P199-S201 PolarHBondContact O-N 2.88Å; P199-H202 HydrophobicContact CG-CB 4.39Å; P199-H202 VanDerWaalsContact O-CB 3.29Å; P199-H202 WeakPolarHBondContact O-CB 3.46Å; P199-H202 PolarHBondContact O-N 3.03Å
200P93.3Very high95.4Very high92 Ų9256.2 Ų56.260%0.59731%0.314SS*.THydrogen-bonded Turntrans-72.7-15.2-175.629.9-36.7000113.9L197 H202L197-P200 WeakPolarHBondContact O-CA 3.49Å; P200-H202 VanDerWaalsContact C-N 3.27Å
201S93.9Very high96Very high105 Ų10548.2 Ų48.273%0.73428%0.277SS*.THydrogen-bonded Turntrans-79.7-3.7173.950.50000113.8P199P199-S201 PolarHBondContact O-N 2.88Å
202H95.9Very high96.4Very high39 Ų3943.4 Ų43.418%0.18126%0.256CS..SBendtrans-66.6133.5-177.4-171.4-93000111.7H176 P199 P200 A204 A205H176-H202 AromaticContact CD2-CE1 3.94Å; H176-H202 AromaticContact CE1-CE1 3.77Å; H176-H202 AromaticContact CG-CE1 3.46Å; H176-H202 VanDerWaalsContact CG-CE1 3.46Å; H176-H202 AromaticContact ND1-CE1 3.36Å; H176-H202 PolarHBondContact ND1-CE1 2.86Å; H176-H202 AromaticContact ND1-NE2 3.67Å; P199-H202 HydrophobicContact CG-CB 4.39Å; P199-H202 VanDerWaalsContact O-CB 3.29Å; P199-H202 WeakPolarHBondContact O-CB 3.46Å; P199-H202 PolarHBondContact O-N 3.03Å; P200-H202 VanDerWaalsContact C-N 3.27Å; H202-A204 WeakPolarHBondContact ND1-CB 3.27Å; H202-A204 PolarHBondContact ND1-N 2.9Å; H202-A204 PolarHBondContact O-N 3.42Å; H202-A205 VanDerWaalsContact O-CB 3.25Å; H202-A205 WeakPolarHBondContact O-CB 3.46Å; H202-A205 PolarHBondContact O-N 2.86Å
203P93.8Very high96.6Very high99 Ų9942.8 Ų42.864%0.64325%0.25SC*.G310 helixtrans-53.1-36-173.6-30.536.4000115.3A205 A206P203-A205 PolarHBondContact O-N 2.84Å; P203-A205 VanDerWaalsContact O-N 3.1Å; P203-A206 PolarHBondContact O-N 2.85Å; P203-A206 VanDerWaalsContact O-N 3.12Å
204A95.1Very high96.6Very high5 Ų542.7 Ų42.74%0.04125%0.249CC..G310 helixtrans-63.1-13.5177.500000114.3V111 L113 L197 H202 A206 F207V111-A204 HydrophobicContact CG1-CB 4.44Å; L113-A204 HydrophobicContact CD2-CB 4.02Å; L197-A204 HydrophobicContact CD1-CB 3.89Å; H202-A204 WeakPolarHBondContact ND1-CB 3.27Å; H202-A204 PolarHBondContact ND1-N 2.9Å; H202-A204 PolarHBondContact O-N 3.42Å; A204-A206 PolarHBondContact O-N 2.93Å; A204-F207 VanDerWaalsContact O-CB 3.24Å; A204-F207 WeakPolarHBondContact O-CB 3.38Å; A204-F207 PolarHBondContact O-N 3.28Å
205A95.5Very high96.5Very high25 Ų2542.2 Ų42.221%0.20725%0.249CC..G310 helixtrans-67.4-19.2173.800000112.7L197 H202 P203L197-A205 HydrophobicContact CB-CB 4.43Å; L197-A205 HydrophobicContact CD1-CB 4.07Å; L197-A205 HydrophobicContact CG-CB 4.23Å; H202-A205 VanDerWaalsContact O-CB 3.25Å; H202-A205 WeakPolarHBondContact O-CB 3.46Å; H202-A205 PolarHBondContact O-N 2.86Å; P203-A205 PolarHBondContact O-N 2.84Å; P203-A205 VanDerWaalsContact O-N 3.1Å
206A95.4Very high96Very high74 Ų7443.5 Ų43.561%0.61226%0.262SS*.G310 helixtrans-89.3-4172.300000113.6P203 A204 Q208P203-A206 PolarHBondContact O-N 2.85Å; P203-A206 VanDerWaalsContact O-N 3.12Å; A204-A206 PolarHBondContact O-N 2.93Å; A206-Q208 PolarHBondContact O-N 2.74Å
207F97.1Very high95.5Very high26 Ų2638.1 Ų38.111%0.11424%0.243CC..  trans-71.4127.6180-175.1-114.5000110.8K86 L88 Q109 V111 A204 F209K86-F207 HydrophobicContact CB-CZ 3.92Å; K86-F207 HydrophobicContact CD-CE2 4.38Å; L88-F207 HydrophobicContact CB-CE1 4.5Å; L88-F207 HydrophobicContact CD1-CD1 4.31Å; Q109-F207 HydrophobicContact CG-CE2 4.19Å; Q109-F207 HydrophobicContact CG-CZ 4.36Å; V111-F207 HydrophobicContact CB-CD1 4Å; V111-F207 HydrophobicContact CB-CE1 3.82Å; V111-F207 HydrophobicContact CB-CZ 4.18Å; V111-F207 HydrophobicContact CG2-CD1 3.81Å; V111-F207 HydrophobicContact CG2-CD2 3.8Å; V111-F207 HydrophobicContact CG2-CE1 3.59Å; V111-F207 HydrophobicContact CG2-CE2 3.59Å; V111-F207 HydrophobicContact CG2-CG 3.91Å; V111-F207 HydrophobicContact CG2-CZ 3.48Å; V111-F207 VanDerWaalsContact CG2-CZ 3.48Å; A204-F207 VanDerWaalsContact O-CB 3.24Å; A204-F207 WeakPolarHBondContact O-CB 3.38Å; A204-F207 PolarHBondContact O-N 3.28Å; F207-F209 HydrophobicContact CD1-CB 4.33Å; F207-F209 AromaticContact CD1-CD1 3.94Å; F207-F209 HydrophobicContact CD1-CD1 3.94Å; F207-F209 HydrophobicContact CE1-CB 3.93Å; F207-F209 HydrophobicContact CE1-CD1 4.36Å
208Q97.7Very high94.6Very high78 Ų7839.4 Ų39.436%0.36426%0.258SS..  trans-105.1130.4178.2-68.4173.358.800109.8K86 W193 M194 A206K86-Q208 WeakPolarHBondContact CB-O 3.46Å; K86-Q208 VanDerWaalsContact CD-O 3.29Å; K86-Q208 WeakPolarHBondContact CD-O 3.4Å; W193-Q208 VanDerWaalsContact O-CA 3.28Å; W193-Q208 WeakPolarHBondContact O-CA 3.4Å; M194-Q208 HydrophobicContact CG-CG 3.66Å; M194-Q208 HydrophobicContact SD-CG 4.03Å; A206-Q208 PolarHBondContact O-N 2.74Å
209F98.3Very high93.8Very high8 Ų845.8 Ų45.84%0.03528%0.277CS..BIsolated β-bridgetrans-133.4156.8-173.951.3-89.9000112.9K86 L88 L184 W193 M194 A195 F207 F212 L384K86-F209 HydrophobicContact CB-CB 4.34Å; K86-F209 WeakPolarHBondContact O-CA 3.45Å; K86-F209 VanDerWaalsContact O-CB 3.23Å; K86-F209 WeakPolarHBondContact O-CB 3.32Å; L88-F209 HydrophobicContact CB-CB 4.3Å; L88-F209 HydrophobicContact CB-CD1 3.85Å; L88-F209 HydrophobicContact CB-CD2 4.13Å; L88-F209 HydrophobicContact CB-CE1 4.16Å; L88-F209 HydrophobicContact CB-CE2 4.44Å; L88-F209 HydrophobicContact CB-CG 3.84Å; L88-F209 HydrophobicContact CB-CZ 4.45Å; L88-F209 HydrophobicContact CD2-CD1 4.01Å; L88-F209 HydrophobicContact CD2-CE1 3.46Å; L88-F209 VanDerWaalsContact CD2-CE1 3.46Å; L88-F209 HydrophobicContact CD2-CE2 4.34Å; L88-F209 HydrophobicContact CD2-CZ 3.67Å; L88-F209 HydrophobicContact CG-CD1 4.47Å; L88-F209 HydrophobicContact CG-CE1 4.38Å; L184-F209 HydrophobicContact CD2-CE2 3.87Å; L184-F209 HydrophobicContact CD2-CZ 3.87Å; W193-F209 HydrophobicContact CB-CD2 4.44Å; W193-F209 HydrophobicContact CB-CE2 4.23Å; W193-F209 PolarHBondContact O-N 3.25Å; M194-F209 VanDerWaalsContact C-CE1 3.42Å; A195-F209 HydrophobicContact CB-CE1 3.99Å; A195-F209 HydrophobicContact CB-CZ 4.21Å; F207-F209 HydrophobicContact CD1-CB 4.33Å; F207-F209 AromaticContact CD1-CD1 3.94Å; F207-F209 HydrophobicContact CD1-CD1 3.94Å; F207-F209 HydrophobicContact CE1-CB 3.93Å; F207-F209 HydrophobicContact CE1-CD1 4.36Å; F209-F212 HydrophobicContact CD2-CB 4.18Å; F209-F212 HydrophobicContact CE2-CB 3.94Å; F209-F212 HydrophobicContact CE2-CG 4.39Å; F209-L384 HydrophobicContact CD2-CD1 3.65Å; F209-L384 HydrophobicContact CE2-CD1 3.88Å; F209-L384 HydrophobicContact CE2-CD2 4.22Å
210D98.1Very high93.4Very high35 Ų3546.4 Ų46.419%0.18728%0.275CS..SBendtrans-117-7.6172.866.7104.7000112.7N85 K86 L384 L385 W421N85-D210 WeakPolarHBondContact CA-OD2 3.4Å; N85-D210 PolarHBondContact ND2-OD1 2.97Å; K86-D210 PolarHBondContact N-OD2 3.38Å; K86-D210 PolarHBondContact O-N 3.26Å; D210-L384 WeakPolarHBondContact O-CA 3.18Å; D210-L385 PolarHBondContact O-N 2.79Å; D210-W421 PolarHBondContact OD1-NE1 2.92Å
211V98.7Very high93.1Very high0 Ų043.7 Ų43.70%026%0.257CS..EExtended strand (participates in β ladder)trans-127.7132.9172.5179.10000109.8K86 C87 L88 I213 L385 V418K86-V211 PolarHBondContact O-N 2.91Å; K86-V211 VanDerWaalsContact O-N 3.12Å; C87-V211 WeakPolarHBondContact CA-O 3.36Å; C87-V211 HydrophobicContact CB-CB 4.42Å; L88-V211 PolarHBondContact N-O 3.4Å; V211-I213 HydrophobicContact CG1-CD1 3.62Å; V211-I213 HydrophobicContact CG1-CG1 4.17Å; V211-L385 CarbonylContact C-O 3.55Å; V211-L385 WeakPolarHBondContact CA-O 3.37Å; V211-L385 HydrophobicContact CG2-CB 4.45Å; V211-V418 HydrophobicContact CG1-CG1 4.41Å; V211-V418 HydrophobicContact CG1-CG2 3.69Å; V211-V418 HydrophobicContact CG2-CG1 4.1Å; V211-V418 HydrophobicContact CG2-CG2 4.49Å
212F98.6Very high92.8Very high0 Ų039.2 Ų39.20%023%0.225CC..EExtended strand (participates in β ladder)trans-128.5116.4174.5175.6-127.4000111L88 L90 Y181 L184 F209 P222 L384 L385 I386 A387L88-F212 HydrophobicContact CB-CD2 4.11Å; L88-F212 HydrophobicContact CD2-CD2 4Å; L88-F212 HydrophobicContact CD2-CE2 4.12Å; L88-F212 HydrophobicContact CG-CD2 4.15Å; L88-F212 HydrophobicContact CG-CE2 4.44Å; L88-F212 CarbonylContact O-C 3.6Å; L88-F212 WeakPolarHBondContact O-CA 3.16Å; L88-F212 WeakPolarHBondContact O-CD2 3.48Å; L90-F212 HydrophobicContact CB-CE2 3.96Å; L90-F212 HydrophobicContact CB-CZ 4.3Å; L90-F212 HydrophobicContact CD2-CE2 4.46Å; L90-F212 HydrophobicContact CD2-CZ 4.06Å; Y181-F212 HydrophobicContact CD2-CE2 4.44Å; Y181-F212 HydrophobicContact CD2-CZ 4.41Å; Y181-F212 HydrophobicContact CE1-CE1 4.42Å; Y181-F212 AromaticContact CE1-CZ 3.87Å; Y181-F212 HydrophobicContact CE1-CZ 3.87Å; Y181-F212 AromaticContact CE2-CE2 3.96Å; Y181-F212 HydrophobicContact CE2-CE2 3.96Å; Y181-F212 AromaticContact CE2-CZ 3.76Å; Y181-F212 HydrophobicContact CE2-CZ 3.76Å; Y181-F212 AromaticContact CZ-CE1 3.91Å; Y181-F212 AromaticContact CZ-CZ 3.44Å; Y181-F212 VanDerWaalsContact CZ-CZ 3.44Å; Y181-F212 WeakPolarHBondContact OH-CE1 3.35Å; Y181-F212 WeakPolarHBondContact OH-CZ 3.39Å; L184-F212 HydrophobicContact CD2-CD1 4.19Å; L184-F212 HydrophobicContact CD2-CE1 4.48Å; F209-F212 HydrophobicContact CD2-CB 4.18Å; F209-F212 HydrophobicContact CE2-CB 3.94Å; F209-F212 HydrophobicContact CE2-CG 4.39Å; F212-P222 HydrophobicContact CD1-CG 4.49Å; F212-P222 HydrophobicContact CE1-CB 4.22Å; F212-P222 HydrophobicContact CE1-CG 3.64Å; F212-P222 HydrophobicContact CZ-CG 4.35Å; F212-L384 HydrophobicContact CB-CD1 3.88Å; F212-L385 PolarHBondContact N-O 2.79Å; F212-I386 HydrophobicContact CB-CG1 4.47Å; F212-I386 HydrophobicContact CD1-CD1 4.39Å; F212-I386 HydrophobicContact CD1-CG1 4.34Å; F212-I386 HydrophobicContact CD1-CG2 3.76Å; F212-I386 HydrophobicContact CE1-CG2 4.43Å; F212-I386 VanDerWaalsContact O-CA 3.31Å; F212-I386 WeakPolarHBondContact O-CA 3.47Å; F212-A387 PolarHBondContact O-N 3.39Å; F212-A387 VanDerWaalsContact O-N 3.11Å
213I98.6Very high92.4Very high0 Ų044.1 Ų44.10%025%0.248CC..EExtended strand (participates in β ladder)trans-105.1119.8179-50.1-51.5000109.3L88 V89 L90 T99 L103 V211 A387 V389 T414 V418L88-I213 PolarHBondContact O-N 2.89Å; V89-I213 HydrophobicContact CG1-CB 4.45Å; V89-I213 HydrophobicContact CG2-CB 4.26Å; V89-I213 HydrophobicContact CG2-CG1 4.38Å; L90-I213 PolarHBondContact N-O 3.44Å; T99-I213 HydrophobicContact CG2-CG2 4.19Å; L103-I213 HydrophobicContact CD1-CG1 3.99Å; V211-I213 HydrophobicContact CG1-CD1 3.62Å; V211-I213 HydrophobicContact CG1-CG1 4.17Å; I213-A387 HydrophobicContact CD1-CB 4.1Å; I213-V389 HydrophobicContact CG2-CB 4.42Å; I213-V389 HydrophobicContact CG2-CG2 3.76Å; I213-T414 HydrophobicContact CD1-CG2 3.61Å; I213-T414 HydrophobicContact CG1-CG2 4.45Å; I213-T414 HydrophobicContact CG2-CG2 4.43Å; I213-V418 HydrophobicContact CD1-CG2 4.3Å
214S97.8Very high91.9Very high0 Ų042 Ų420%025%0.245CC..EExtended strand (participates in β ladder)trans-92.4118169.8-177.30000110.6A387 L388 V389 C392S214-A387 PolarHBondContact N-O 3.01Å; S214-L388 WeakPolarHBondContact O-CA 3.43Å; S214-V389 PolarHBondContact O-N 3.21Å; S214-C392 PolarHBondContact O-SG 2.86Å
215A96.6Very high91.7Very high11 Ų1143 Ų439%0.09125%0.248CC..  trans-122.735.5166.300000110.6L90 G96 G217 V389L90-A215 CarbonylContact O-C 3.54Å; L90-A215 VanDerWaalsContact O-CA 3.27Å; L90-A215 WeakPolarHBondContact O-CA 3.36Å; L90-A215 WeakPolarHBondContact O-CB 3.4Å; L90-A215 PolarHBondContact O-N 3.09Å; G96-A215 VanDerWaalsContact CA-CB 3.49Å; A215-G217 PolarHBondContact O-N 2.95Å; A215-V389 WeakPolarHBondContact CA-O 3.42Å
216G87Confident91.3Very high29 Ų2948.6 Ų48.630%0.29927%0.267SS..  trans-68.10-173.500000116.4L90L90-G216 PolarHBondContact O-N 2.9Å
217G86.3Confident90.7Very high14 Ų1448.5 Ų48.514%0.14425%0.254CS..  trans72.6174.4-172.300000112.9A215 R219 F220 C392A215-G217 PolarHBondContact O-N 2.95Å; G217-R219 PolarHBondContact O-N 2.96Å; G217-F220 PolarHBondContact O-N 2.8Å; G217-C392 WeakPolarHBondContact O-CB 3.48Å
218G78.3Confident89.8Confident34 Ų3452.8 Ų52.835%0.35127%0.273SS..THydrogen-bonded Turntrans-57.4-15.8-172.300000115.7
219R78.4Confident88.9Confident235 Ų23553.8 Ų53.889%0.88728%0.278SS*.THydrogen-bonded Turntrans-92.60.3178.9-57.1-171.9-173.8-172.10.7115.2G217G217-R219 PolarHBondContact O-N 2.96Å
220F87.9Confident87.4Confident65 Ų6558.5 Ų58.529%0.28530%0.302SS..  trans-146.4122.2175-179.9-88.8000112.5L90 Y181 G217 P222 C392L90-F220 HydrophobicContact CD2-CD1 3.68Å; L90-F220 HydrophobicContact CD2-CE1 3.38Å; L90-F220 HydrophobicContact CD2-CZ 4.16Å; Y181-F220 HydrophobicContact CD1-CE1 4.32Å; Y181-F220 AromaticContact CD1-CZ 3.84Å; Y181-F220 HydrophobicContact CD1-CZ 3.84Å; Y181-F220 HydrophobicContact CE1-CE1 4.33Å; Y181-F220 AromaticContact CE1-CZ 3.78Å; Y181-F220 HydrophobicContact CE1-CZ 3.78Å; G217-F220 PolarHBondContact O-N 2.8Å; F220-P222 HydrophobicContact CE1-CG 4.11Å; F220-C392 WeakPolarHBondContact O-CB 3.44Å
221V86.2Confident85.8Confident36 Ų3663.4 Ų63.422%0.21832%0.318CS..  trans-133.3142.1168.4-163.80000109.7F225 H227 L388 C392V221-F225 HydrophobicContact CG1-CB 3.8Å; V221-F225 HydrophobicContact CG1-CD2 4.28Å; V221-F225 HydrophobicContact CG1-CG 4.14Å; V221-H227 WeakPolarHBondContact CG2-CE1 3.3Å; V221-H227 WeakPolarHBondContact CG2-NE2 3.37Å; V221-L388 HydrophobicContact CG1-CD1 3.52Å; V221-L388 HydrophobicContact CG1-CD2 3.63Å; V221-L388 HydrophobicContact CG1-CG 4.23Å; V221-C392 HydrophobicContact CG2-CB 3.74Å
222P87.9Confident84.2Confident10 Ų1065.6 Ų65.67%0.06534%0.341CS..  trans-62.3153.4176.7-23.734.7000113.7F212 F220 F225 I386 L388F212-P222 HydrophobicContact CD1-CG 4.49Å; F212-P222 HydrophobicContact CE1-CB 4.22Å; F212-P222 HydrophobicContact CE1-CG 3.64Å; F212-P222 HydrophobicContact CZ-CG 4.35Å; F220-P222 HydrophobicContact CE1-CG 4.11Å; P222-F225 HydrophobicContact CB-CD2 4.31Å; P222-F225 PolarHBondContact O-N 3.05Å; P222-I386 HydrophobicContact CG-CG2 4.42Å; P222-L388 HydrophobicContact CG-CD2 4.41Å
223E87Confident83Confident143 Ų14372.8 Ų72.867%0.66837%0.372SS*.THydrogen-bonded Turntrans-49.4142.2168.2179.4-159.1-139.200111.7R377E223-R377 VanDerWaalsContact C-NH2 3.3Å; E223-R377 PolarHBondContact O-NH2 3.16Å; E223-R377 IonicContact OE2-CZ 2.7Å; E223-R377 IonicContact OE2-NH1 3.07Å; E223-R377 PolarHBondContact OE2-NH1 2.83Å; E223-R377 IonicContact OE2-NH2 3.79Å; E223-R377 PolarHBondContact OE2-NH2 3.29Å
224G84.3Confident81.9Confident55 Ų5575.8 Ų75.857%0.56739%0.388SS*.THydrogen-bonded Turntrans95.6-19.1178.200000113.9
225F91.2Very high81.2Confident24 Ų2476.4 Ų76.411%0.10539%0.393CS..  trans-84.2148.3164-64.4-88.8000110.4V221 P222 H372 L375 I386 L388V221-F225 HydrophobicContact CG1-CB 3.8Å; V221-F225 HydrophobicContact CG1-CD2 4.28Å; V221-F225 HydrophobicContact CG1-CG 4.14Å; P222-F225 HydrophobicContact CB-CD2 4.31Å; P222-F225 PolarHBondContact O-N 3.05Å; F225-H372 WeakPolarHBondContact CD1-O 3.45Å; F225-L375 HydrophobicContact CD1-CD2 4.4Å; F225-L375 HydrophobicContact CD2-CD2 3.84Å; F225-L375 HydrophobicContact CE1-CD2 4.15Å; F225-L375 HydrophobicContact CE1-CG 4.34Å; F225-L375 HydrophobicContact CE2-CD2 3.53Å; F225-L375 HydrophobicContact CE2-CG 3.81Å; F225-L375 HydrophobicContact CG-CD2 4.27Å; F225-L375 HydrophobicContact CZ-CB 4.38Å; F225-L375 HydrophobicContact CZ-CD2 3.71Å; F225-L375 HydrophobicContact CZ-CG 3.67Å; F225-I386 HydrophobicContact CE2-CB 4.25Å; F225-I386 HydrophobicContact CE2-CG2 3.65Å; F225-I386 HydrophobicContact CZ-CB 4.38Å; F225-I386 HydrophobicContact CZ-CG2 4.06Å; F225-L388 HydrophobicContact CB-CD1 4.28Å; F225-L388 HydrophobicContact CD1-CD1 3.52Å; F225-L388 HydrophobicContact CD1-CD2 4.32Å; F225-L388 HydrophobicContact CD1-CG 3.87Å; F225-L388 HydrophobicContact CD2-CD1 4.4Å; F225-L388 HydrophobicContact CD2-CD2 3.96Å; F225-L388 HydrophobicContact CD2-CG 4.41Å; F225-L388 HydrophobicContact CE1-CD1 3.89Å; F225-L388 HydrophobicContact CE1-CD2 4.18Å; F225-L388 HydrophobicContact CE1-CG 3.71Å; F225-L388 HydrophobicContact CE2-CD2 3.82Å; F225-L388 HydrophobicContact CE2-CG 4.27Å; F225-L388 HydrophobicContact CG-CD1 3.8Å; F225-L388 HydrophobicContact CG-CD2 4.2Å; F225-L388 HydrophobicContact CG-CG 4.22Å; F225-L388 HydrophobicContact CZ-CD1 4.47Å; F225-L388 HydrophobicContact CZ-CD2 3.92Å; F225-L388 HydrophobicContact CZ-CG 3.92Å
226K86.6Confident80.9Confident143 Ų14376 Ų7662%0.62239%0.389SS*.  trans-119.8157.8172.9-71170.7172.5-178.80108.9A370 E371K226-A370 CarbonylContact O-C 3.57Å; K226-A370 WeakPolarHBondContact O-CA 3.4Å; K226-E371 HydrophobicContact CB-CB 4.43Å; K226-E371 HydrophobicContact CB-CG 3.86Å; K226-E371 WeakPolarHBondContact CB-OE2 3.4Å; K226-E371 WeakPolarHBondContact CD-OE2 3.31Å; K226-E371 PolarHBondContact O-N 3.27Å
227H82.8Confident81.2Confident72 Ų7274.6 Ų74.633%0.33338%0.375SS..EExtended strand (participates in β ladder)trans-118.9143.7176.7-69.469.7000111.5V221 R369 C392V221-H227 WeakPolarHBondContact CG2-CE1 3.3Å; V221-H227 WeakPolarHBondContact CG2-NE2 3.37Å; H227-R369 CarbonylContact C-O 3.47Å; H227-R369 VanDerWaalsContact CA-O 3.3Å; H227-R369 WeakPolarHBondContact CA-O 3.1Å; H227-C392 PolarHBondContact NE2-O 2.89Å
228K78.6Confident81.7Confident116 Ų11673.9 Ų73.950%0.50437%0.368SS..EExtended strand (participates in β ladder)trans-99.6113.2160.9-78.7165.6166.1134.30107R369 E371K228-R369 PolarHBondContact N-O 3.45Å; K228-R369 PolarHBondContact O-N 3.01Å; K228-E371 HydrophobicContact CD-CG 4.21Å; K228-E371 WeakPolarHBondContact CE-OE1 3.43Å; K228-E371 HydrophobicContact CG-CG 4.2Å; K228-E371 IonicContact NZ-OE1 2.68Å; K228-E371 PolarHBondContact NZ-OE1 3.31Å
229E77.1Confident82.5Confident100 Ų10072.3 Ų72.347%0.46735%0.352SS..EExtended strand (participates in β ladder)trans-74.9127163.2-174.7-170.9153.600107.7R231 C366E229-R231 IonicContact OE1-NH1 2.67Å; E229-C366 HydrophobicContact CG-CB 4.03Å; E229-C366 PolarHBondContact OE1-SG 2.75Å
230L67.2Low83.5Confident106 Ų10661.1 Ų61.156%0.55531%0.309SS*.EExtended strand (participates in β ladder)trans-110.7102.6168.1-70.4172.5000107.6M367L230-M367 PolarHBondContact N-O 2.95Å; L230-M367 PolarHBondContact O-N 2.88Å
231R64Low83.9Confident138 Ų13858 Ų5852%0.52130%0.296SS..EExtended strand (participates in β ladder)trans-93.5116.5-176.5-165167.9-172.7150.9-0.7111E229 T365E229-R231 IonicContact OE1-NH1 2.67Å; R231-T365 CarbonylContact C-O 3.59Å; R231-T365 WeakPolarHBondContact CA-O 3.2Å; R231-T365 HydrophobicContact CG-CG2 3.79Å
232G65.6Low84.4Confident46 Ų4656.3 Ų56.347%0.47429%0.285SS..  trans-89.5-161176.500000113.5T365G232-T365 PolarHBondContact N-O 3.16Å; G232-T365 WeakPolarHBondContact O-CG2 3.42Å
233K73.1Confident84.8Confident152 Ų15260 Ų6066%0.66130%0.304SS*.SBendtrans-65.9147.5164.9-66.2171.1-177.9167.10108.9A235K233-A235 PolarHBondContact O-N 2.84Å; K233-A235 VanDerWaalsContact O-N 3.09Å
234L77.3Confident85.2Confident62 Ų6254 Ų5433%0.32528%0.276SS..  trans-58112.5-177.8176.970.1000111.1I236 R298 A314 L317 T365L234-I236 HydrophobicContact CD1-CG1 4.46Å; L234-R298 HydrophobicContact CD2-CB 4.01Å; L234-R298 HydrophobicContact CD2-CG 4.3Å; L234-A314 HydrophobicContact CD1-CB 4.46Å; L234-L317 HydrophobicContact CD1-CD2 4.49Å; L234-L317 HydrophobicContact CD2-CD2 4.06Å; L234-T365 WeakPolarHBondContact CA-OG1 3.29Å; L234-T365 WeakPolarHBondContact CD1-OG1 3.09Å
235A82.1Confident85.5Confident14 Ų1453.7 Ų53.712%0.11627%0.273CS..  trans-125.8119-176.900000109.8K233 T295 F364 T365K233-A235 PolarHBondContact O-N 2.84Å; K233-A235 VanDerWaalsContact O-N 3.09Å; A235-T295 HydrophobicContact CB-CG2 4.17Å; A235-F364 HydrophobicContact CB-CB 3.96Å; A235-F364 WeakPolarHBondContact O-CA 3.49Å; A235-F364 PolarHBondContact O-N 3.27Å; A235-T365 PolarHBondContact N-OG1 2.96Å; A235-T365 PolarHBondContact O-N 3.3Å
236I90.9Very high85.4Confident1 Ų157.1 Ų57.11%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-108.2112.6-176.5-59.9167.9000108.7L234 T295 A296 R298 L301 I307 L317 L318 M361L234-I236 HydrophobicContact CD1-CG1 4.46Å; I236-T295 WeakPolarHBondContact O-CA 3.5Å; I236-A296 PolarHBondContact O-N 3.22Å; I236-R298 HydrophobicContact CD1-CB 4.28Å; I236-L301 HydrophobicContact CB-CD1 4.06Å; I236-L301 HydrophobicContact CD1-CD1 3.71Å; I236-L301 HydrophobicContact CG1-CD1 4.49Å; I236-L301 HydrophobicContact CG2-CD1 3.75Å; I236-I307 HydrophobicContact CD1-CD1 4.22Å; I236-L317 HydrophobicContact CD1-CD2 4.02Å; I236-L318 HydrophobicContact CD1-CD2 4.17Å; I236-L318 HydrophobicContact CG1-CD2 4.2Å; I236-L318 HydrophobicContact CG2-CD2 3.76Å; I236-M361 HydrophobicContact CG2-CE 3.72Å
237G92.6Very high85.7Confident0 Ų053.4 Ų53.40%028%0.282CS..EExtended strand (participates in β ladder)trans-82.4134.9175.400000111.7M294 M361 F362G237-M294 WeakPolarHBondContact CA-O 3.39Å; G237-M361 CarbonylContact O-C 3.58Å; G237-M361 VanDerWaalsContact O-CA 3.3Å; G237-M361 WeakPolarHBondContact O-CA 3.5Å; G237-F362 PolarHBondContact N-O 3.49Å; G237-F362 PolarHBondContact O-N 3.32Å
238I96.3Very high86Confident0 Ų053.5 Ų53.50%030%0.295CS..EExtended strand (participates in β ladder)trans-118.6132.1165.2-69.9166.6000107.9V293 M294 A296 L301 L328 Y331 A332 V359 A360 M361I238-V293 WeakPolarHBondContact O-CA 3.25Å; I238-M294 HydrophobicContact CB-CG 3.72Å; I238-M294 HydrophobicContact CB-SD 4.36Å; I238-M294 HydrophobicContact CG2-CG 4.16Å; I238-M294 HydrophobicContact CG2-SD 4.28Å; I238-M294 PolarHBondContact N-O 3.25Å; I238-M294 PolarHBondContact O-N 3.37Å; I238-A296 HydrophobicContact CD1-CB 4.11Å; I238-L301 HydrophobicContact CD1-CD2 3.77Å; I238-L328 HydrophobicContact CD1-CD1 3.83Å; I238-L328 HydrophobicContact CG1-CD1 4.05Å; I238-L328 HydrophobicContact CG2-CD1 4.24Å; I238-Y331 HydrophobicContact CD1-CD1 3.87Å; I238-Y331 HydrophobicContact CD1-CE1 3.94Å; I238-A332 HydrophobicContact CG2-CB 4.22Å; I238-V359 HydrophobicContact CG2-CG2 4.12Å; I238-A360 WeakPolarHBondContact CA-O 3.37Å; I238-M361 HydrophobicContact CG1-CG 3.9Å
239T96.5Very high86.4Confident1 Ų150.5 Ų50.51%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-117.1139166.770.30000110.5N123 Y291 F292 V293 V359 A360 F362 W398N123-T239 WeakPolarHBondContact ND2-CB 3.25Å; N123-T239 PolarHBondContact ND2-OG1 2.92Å; T239-Y291 HydrophobicContact CG2-CE2 4.25Å; T239-F292 CarbonylContact C-O 3.42Å; T239-F292 VanDerWaalsContact CA-O 3.28Å; T239-F292 WeakPolarHBondContact CA-O 3.44Å; T239-V293 HydrophobicContact CG2-CB 3.99Å; T239-V293 HydrophobicContact CG2-CG2 3.8Å; T239-V359 CarbonylContact O-C 3.57Å; T239-V359 VanDerWaalsContact O-CA 3.3Å; T239-V359 WeakPolarHBondContact O-CA 3.37Å; T239-A360 PolarHBondContact N-O 3.28Å; T239-A360 PolarHBondContact O-N 2.79Å; T239-F362 HydrophobicContact CG2-CD2 4.22Å; T239-F362 HydrophobicContact CG2-CE2 3.96Å; T239-F362 WeakPolarHBondContact OG1-CE2 3.5Å; T239-W398 HydrophobicContact CG2-CE3 4.07Å; T239-W398 HydrophobicContact CG2-CZ3 3.84Å
240A97.4Very high87.1Confident0 Ų046.1 Ų46.10%027%0.272CS..EExtended strand (participates in β ladder)trans-133.1142.8174.600000110.7F242 Y291 F292 A332 F349 D358 V359A240-F242 HydrophobicContact CB-CE2 3.8Å; A240-F242 HydrophobicContact CB-CZ 4.04Å; A240-Y291 WeakPolarHBondContact O-CA 3.43Å; A240-F292 PolarHBondContact N-O 3.17Å; A240-F292 PolarHBondContact O-N 3.02Å; A240-A332 HydrophobicContact CB-CB 4.01Å; A240-F349 HydrophobicContact CB-CE1 4.06Å; A240-D358 CarbonylContact C-O 3.57Å; A240-D358 WeakPolarHBondContact CA-O 3.47Å; A240-V359 HydrophobicContact CB-CB 4.5Å; A240-V359 HydrophobicContact CB-CG2 4.22Å
241N97.8Very high88.1Confident0 Ų044.1 Ų44.10%027%0.27CS..EExtended strand (participates in β ladder)trans-121.7122.2173.7-58.9-99.2000108.6N123 T289 Y291 A350 D358N123-N241 PolarHBondContact N-OD1 3.45Å; N123-N241 PolarHBondContact OD1-ND2 2.78Å; N241-T289 HydrophobicContact CB-CG2 4.2Å; N241-T289 PolarHBondContact OD1-OG1 2.89Å; N241-Y291 WeakPolarHBondContact OD1-CD2 3.33Å; N241-A350 HydrophobicContact CB-CB 4.06Å; N241-A350 WeakPolarHBondContact O-CB 3.5Å; N241-A350 PolarHBondContact O-N 3.43Å; N241-D358 HydrophobicContact CB-CB 4.08Å; N241-D358 PolarHBondContact N-O 2.91Å; N241-D358 PolarHBondContact ND2-O 3.34Å; N241-D358 PolarHBondContact ND2-OD2 2.81Å
242F96.9Very high89.3Confident0 Ų044 Ų440%028%0.275CS..EExtended strand (participates in β ladder)trans-107.4156.3173.1-51-92.3000110.8A240 N244 T289 H290 F292 A336 L347 Q348 F349A240-F242 HydrophobicContact CB-CE2 3.8Å; A240-F242 HydrophobicContact CB-CZ 4.04Å; F242-N244 PolarHBondContact O-N 2.94Å; F242-T289 WeakPolarHBondContact O-CA 3.42Å; F242-T289 WeakPolarHBondContact O-CB 3.45Å; F242-H290 HydrophobicContact CB-CB 4.13Å; F242-H290 PolarHBondContact N-O 3.46Å; F242-H290 PolarHBondContact O-N 2.99Å; F242-F292 AromaticContact CD2-CD2 3.67Å; F242-F292 HydrophobicContact CD2-CD2 3.67Å; F242-F292 AromaticContact CD2-CE2 3.77Å; F242-F292 HydrophobicContact CD2-CE2 3.77Å; F242-F292 AromaticContact CE2-CD2 3.59Å; F242-F292 HydrophobicContact CE2-CD2 3.59Å; F242-F292 AromaticContact CE2-CE2 3.9Å; F242-F292 HydrophobicContact CE2-CE2 3.9Å; F242-F292 HydrophobicContact CE2-CG 4.39Å; F242-A336 HydrophobicContact CD2-CB 4.44Å; F242-A336 HydrophobicContact CE2-CB 3.53Å; F242-A336 HydrophobicContact CZ-CB 3.8Å; F242-L347 HydrophobicContact CB-CD2 4.08Å; F242-L347 HydrophobicContact CD1-CB 3.98Å; F242-L347 HydrophobicContact CD1-CD2 4.16Å; F242-L347 VanDerWaalsContact CD1-O 3.32Å; F242-L347 WeakPolarHBondContact CD1-O 3.45Å; F242-L347 HydrophobicContact CD2-CD2 4.13Å; F242-L347 HydrophobicContact CE1-CB 4.2Å; F242-L347 HydrophobicContact CG-CD2 3.87Å; F242-Q348 CarbonylContact C-O 3.59Å; F242-Q348 VanDerWaalsContact CA-O 3.3Å; F242-Q348 WeakPolarHBondContact CA-O 3.45Å; F242-Q348 WeakPolarHBondContact CB-O 3.33Å; F242-F349 AromaticContact CD1-CD1 3.97Å; F242-F349 HydrophobicContact CD1-CD1 3.97Å; F242-F349 HydrophobicContact CD1-CD2 4.41Å; F242-F349 HydrophobicContact CD1-CE1 4.14Å; F242-F349 HydrophobicContact CD1-CG 4.11Å; F242-F349 HydrophobicContact CD1-CZ 4.43Å; F242-F349 AromaticContact CE1-CD1 3.72Å; F242-F349 HydrophobicContact CE1-CD1 3.72Å; F242-F349 HydrophobicContact CE1-CD2 4.09Å; F242-F349 AromaticContact CE1-CE1 3.41Å; F242-F349 HydrophobicContact CE1-CE1 3.41Å; F242-F349 VanDerWaalsContact CE1-CE1 3.41Å; F242-F349 AromaticContact CE1-CE2 3.8Å; F242-F349 HydrophobicContact CE1-CE2 3.8Å; F242-F349 HydrophobicContact CE1-CG 4.05Å; F242-F349 AromaticContact CE1-CZ 3.46Å; F242-F349 HydrophobicContact CE1-CZ 3.46Å; F242-F349 VanDerWaalsContact CE1-CZ 3.46Å; F242-F349 HydrophobicContact CZ-CD1 4.3Å; F242-F349 AromaticContact CZ-CE1 3.67Å; F242-F349 HydrophobicContact CZ-CE1 3.67Å; F242-F349 AromaticContact CZ-CZ 3.85Å; F242-F349 HydrophobicContact CZ-CZ 3.85Å
243I96.2Very high90.4Very high87 Ų8742 Ų4245%0.44625%0.254SS..EExtended strand (participates in β ladder)trans-64.8125.2-179.5-62.4175.4000109.4H290 Q348 A350I243-H290 PolarHBondContact O-CD2 3.09Å; I243-H290 VanDerWaalsContact O-CD2 3.27Å; I243-Q348 HydrophobicContact CD1-CB 4.08Å; I243-Q348 PolarHBondContact N-O 2.89Å; I243-A350 HydrophobicContact CG1-CB 4.47Å
244N94Very high91.1Very high17 Ų1737.7 Ų37.79%0.09124%0.242CC..  trans-93.9104.7170.9-178.32.2000109.3F242 N246 E250 D287 H290F242-N244 PolarHBondContact O-N 2.94Å; N244-N246 PolarHBondContact O-N 3Å; N244-N246 PolarHBondContact O-ND2 3.49Å; N244-N246 WeakPolarHBondContact OD1-CA 3.41Å; N244-N246 PolarHBondContact OD1-N 3.37Å; N244-E250 WeakPolarHBondContact CA-OE1 3.3Å; N244-E250 PolarHBondContact OD1-OE1 2.84Å; N244-D287 PolarHBondContact ND2-O 2.93Å; N244-H290 PolarHBondContact OD1-CE1 3.05Å
245G91.9Very high91.7Very high49 Ų4936.5 Ų36.551%0.50523%0.234SC..  trans-68.8-9.6174.800000113.8T247 E250G245-T247 PolarHBondContact O-N 3.38Å; G245-E250 WeakPolarHBondContact CA-OE2 3.43Å; G245-E250 PolarHBondContact N-OE1 3.12Å; G245-E250 PolarHBondContact N-OE2 3.08Å
246N89.3Confident91.8Very high95 Ų9536 Ų3651%0.50823%0.229SC..  trans56.826.1-176-64.2-118.7000112.5K146 N244 E250K146-N246 PolarHBondContact NZ-OD1 2.94Å; K146-N246 VanDerWaalsContact NZ-OD1 3.14Å; N244-N246 PolarHBondContact O-N 3Å; N244-N246 PolarHBondContact O-ND2 3.49Å; N244-N246 WeakPolarHBondContact OD1-CA 3.41Å; N244-N246 PolarHBondContact OD1-N 3.37Å; N246-E250 PolarHBondContact N-OE2 2.94Å
247T92Very high90.8Very high65 Ų6537.8 Ų37.840%0.39924%0.243SC..  trans-72.6162.1178.268.40000112.3G245 A249 E250 A251G245-T247 PolarHBondContact O-N 3.38Å; T247-A249 PolarHBondContact O-N 3.33Å; T247-E250 WeakPolarHBondContact CB-OE2 3.23Å; T247-E250 VanDerWaalsContact CG2-OE2 3.23Å; T247-E250 WeakPolarHBondContact CG2-OE2 3.43Å; T247-E250 PolarHBondContact N-OE2 3.49Å; T247-E250 PolarHBondContact O-N 2.93Å; T247-E250 WeakPolarHBondContact OG1-CG 3.18Å; T247-E250 PolarHBondContact OG1-N 3.42Å; T247-E250 PolarHBondContact OG1-OE2 3.49Å; T247-A251 VanDerWaalsContact O-CB 3.27Å; T247-A251 WeakPolarHBondContact O-CB 3.2Å; T247-A251 PolarHBondContact O-N 2.76Å
248A88.4Confident89.4Confident74 Ų7437.9 Ų37.961%0.61224%0.244SC*.Hα-helixtrans-63.4-24.3177.900000113.9Q252A248-Q252 VanDerWaalsContact O-CG 3.32Å; A248-Q252 WeakPolarHBondContact O-CG 3.26Å; A248-Q252 PolarHBondContact O-N 3.05Å; A248-Q252 PolarHBondContact O-NE2 3.37Å
249A88.3Confident87.6Confident53 Ų5338 Ų3844%0.43824%0.244SC..Hα-helixtrans-75-52.8175.900000110.8T247 A251 Q252T247-A249 PolarHBondContact O-N 3.33Å; A249-A251 VanDerWaalsContact C-N 3.28Å; A249-A251 PolarHBondContact O-N 3.11Å; A249-Q252 PolarHBondContact O-N 3.48Å
250E91.1Very high85.9Confident9 Ų938.1 Ų38.14%0.04225%0.245CC..Hα-helixtrans-56-43173.9-65.6165.295.700111.5N244 G245 N246 T247 Q252 V253 K286 H290 L344 P345N244-E250 WeakPolarHBondContact CA-OE1 3.3Å; N244-E250 PolarHBondContact OD1-OE1 2.84Å; G245-E250 WeakPolarHBondContact CA-OE2 3.43Å; G245-E250 PolarHBondContact N-OE1 3.12Å; G245-E250 PolarHBondContact N-OE2 3.08Å; N246-E250 PolarHBondContact N-OE2 2.94Å; T247-E250 WeakPolarHBondContact CB-OE2 3.23Å; T247-E250 VanDerWaalsContact CG2-OE2 3.23Å; T247-E250 WeakPolarHBondContact CG2-OE2 3.43Å; T247-E250 PolarHBondContact N-OE2 3.49Å; T247-E250 PolarHBondContact O-N 2.93Å; T247-E250 WeakPolarHBondContact OG1-CG 3.18Å; T247-E250 PolarHBondContact OG1-N 3.42Å; T247-E250 PolarHBondContact OG1-OE2 3.49Å; E250-Q252 PolarHBondContact O-N 3.1Å; E250-Q252 VanDerWaalsContact O-N 3.15Å; E250-V253 PolarHBondContact O-N 3.25Å; E250-K286 WeakPolarHBondContact O-CE 3.14Å; E250-K286 PolarHBondContact O-NZ 3.03Å; E250-H290 IonicContact OE1-CD2 2.64Å; E250-H290 IonicContact OE1-CE1 2.68Å; E250-H290 IonicContact OE1-NE2 3.45Å; E250-H290 PolarHBondContact OE1-NE2 2.61Å; E250-L344 HydrophobicContact CB-CD2 4.31Å; E250-L344 HydrophobicContact CG-CD2 4.18Å; E250-P345 HydrophobicContact CG-CG 4.32Å
251A88.1Confident84.2Confident63 Ų6340.4 Ų40.452%0.52125%0.254SS..Hα-helixtrans-57.4-28.8176.900000113.1T247 A249 K286T247-A251 VanDerWaalsContact O-CB 3.27Å; T247-A251 WeakPolarHBondContact O-CB 3.2Å; T247-A251 PolarHBondContact O-N 2.76Å; A249-A251 VanDerWaalsContact C-N 3.28Å; A249-A251 PolarHBondContact O-N 3.11Å; A251-K286 VanDerWaalsContact C-NZ 3.31Å; A251-K286 PolarHBondContact O-NZ 3.09Å
252Q89.1Confident82Confident136 Ų13643.6 Ų43.664%0.63627%0.27SS*.THydrogen-bonded Turntrans-88.2-2.8178.3-71.8177.642.200114.9A248 A249 E250 R1002A248-Q252 VanDerWaalsContact O-CG 3.32Å; A248-Q252 WeakPolarHBondContact O-CG 3.26Å; A248-Q252 PolarHBondContact O-N 3.05Å; A248-Q252 PolarHBondContact O-NE2 3.37Å; A249-Q252 PolarHBondContact O-N 3.48Å; E250-Q252 PolarHBondContact O-N 3.1Å; E250-Q252 VanDerWaalsContact O-N 3.15Å; Q252-R1002 VanDerWaalsContact O-CZ 3.25Å; Q252-R1002 PolarHBondContact O-NH1 3.27Å; Q252-R1002 PolarHBondContact O-NH2 3.44Å
253V90Very high80.2Confident4 Ų445.7 Ų45.72%0.02428%0.278CS..SBendtrans-74127.1171.7-175.50000109.6E250 Y284 K286 T340 K343 L344E250-V253 PolarHBondContact O-N 3.25Å; V253-Y284 HydrophobicContact CG1-CE1 4.05Å; V253-K286 WeakPolarHBondContact O-CE 3.38Å; V253-K286 PolarHBondContact O-NZ 2.84Å; V253-T340 HydrophobicContact CG1-CG2 3.96Å; V253-K343 HydrophobicContact CG2-CB 3.95Å; V253-K343 WeakPolarHBondContact CG2-O 3.38Å; V253-L344 HydrophobicContact CB-CD2 4.17Å; V253-L344 HydrophobicContact CG1-CD2 4.39Å; V253-L344 HydrophobicContact CG1-CG 4.34Å; V253-L344 HydrophobicContact CG2-CD2 3.75Å; V253-L344 HydrophobicContact CG2-CG 4.16Å
254P87.9Confident79.2Confident62 Ų6243.2 Ų43.240%0.40327%0.266SS..PPolyproline II helixtrans-67.7143.6175.429.5-35.4000110.2Y284 R1002P254-Y284 WeakPolarHBondContact O-CE1 3.39Å; P254-R1002 VanDerWaalsContact CD-CZ 3.41Å; P254-R1002 VanDerWaalsContact CD-NH2 3.34Å
255E89Confident78.3Confident36 Ų3647 Ų4717%0.16828%0.283CS..PPolyproline II helixtrans-63.1153.7164.1-74.3117.7-156.100110.9K286 K1091E255-K286 HydrophobicContact CG-CB 4.22Å; E255-K1091 IonicContact OE2-NZ 3.75Å
256I84.7Confident77.9Confident3 Ų351.7 Ų51.72%0.01529%0.29CS..EExtended strand (participates in β ladder)trans-107.994.9178.3-63.8-171000105.1G258 V259 I282 V283 Y284 S339 T340 F1005I256-G258 PolarHBondContact O-N 3.33Å; I256-V259 HydrophobicContact CG2-CG2 3.79Å; I256-I282 HydrophobicContact CG2-CG2 4.49Å; I256-I282 WeakPolarHBondContact CG2-O 3.5Å; I256-V283 WeakPolarHBondContact O-CG1 3.49Å; I256-Y284 HydrophobicContact CB-CD1 4.35Å; I256-Y284 VanDerWaalsContact CB-N 3.35Å; I256-Y284 HydrophobicContact CD1-CD1 4.47Å; I256-Y284 HydrophobicContact CG1-CD1 3.96Å; I256-Y284 HydrophobicContact CG1-CG 4.45Å; I256-Y284 PolarHBondContact N-O 2.95Å; I256-Y284 PolarHBondContact O-N 2.78Å; I256-S339 WeakPolarHBondContact CD1-O 3.4Å; I256-T340 HydrophobicContact CD1-CG2 4.49Å; I256-F1005 HydrophobicContact CB-CE1 3.67Å; I256-F1005 HydrophobicContact CB-CZ 3.5Å; I256-F1005 VanDerWaalsContact CB-CZ 3.5Å; I256-F1005 HydrophobicContact CD1-CZ 3.92Å; I256-F1005 HydrophobicContact CG1-CE1 4.04Å; I256-F1005 HydrophobicContact CG1-CE2 3.96Å; I256-F1005 HydrophobicContact CG1-CZ 3.31Å; I256-F1005 HydrophobicContact CG2-CE1 3.48Å; I256-F1005 VanDerWaalsContact CG2-CE1 3.48Å; I256-F1005 HydrophobicContact CG2-CZ 3.48Å; I256-F1005 VanDerWaalsContact CG2-CZ 3.48Å
257S68.9Low77.8Confident40 Ų4048.8 Ų48.828%0.2827%0.272SS..EExtended strand (participates in β ladder)trans-74.445.9-178.6-60.70000112.7
258G63.5Low77.6Confident2 Ų245.7 Ų45.72%0.02125%0.253CS..EExtended strand (participates in β ladder)trans73.8150.3-16300000112.9I256 I282 P1007I256-G258 PolarHBondContact O-N 3.33Å; G258-I282 CarbonylContact C-O 3.58Å; G258-I282 WeakPolarHBondContact CA-O 3.39Å; G258-P1007 WeakPolarHBondContact O-CB 3.11Å; G258-P1007 WeakPolarHBondContact O-CG 3.48Å
259V58.9Low77.7Confident1 Ų145.9 Ų45.91%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-136.5114166.5-171.90000103.5I256 N264 F267 F268 N281 I282 F1005 S1006I256-V259 HydrophobicContact CG2-CG2 3.79Å; V259-N264 HydrophobicContact CG1-CB 4.33Å; V259-F267 HydrophobicContact CG1-CD1 3.85Å; V259-F267 HydrophobicContact CG1-CE1 4.22Å; V259-F268 HydrophobicContact CB-CE2 3.94Å; V259-F268 HydrophobicContact CB-CZ 3.83Å; V259-F268 HydrophobicContact CG1-CD2 4.21Å; V259-F268 HydrophobicContact CG1-CE2 3.26Å; V259-F268 HydrophobicContact CG1-CZ 3.64Å; V259-F268 WeakPolarHBondContact O-CZ 3.42Å; V259-N281 PolarHBondContact N-OD1 2.78Å; V259-N281 CarbonylContact O-C 3.59Å; V259-N281 WeakPolarHBondContact O-CA 3.45Å; V259-N281 VanDerWaalsContact O-CB 3.23Å; V259-N281 WeakPolarHBondContact O-CB 3.5Å; V259-N281 PolarHBondContact O-OD1 3.26Å; V259-I282 HydrophobicContact CB-CG2 4.16Å; V259-I282 HydrophobicContact CG2-CG2 4.16Å; V259-I282 PolarHBondContact N-O 2.84Å; V259-I282 PolarHBondContact O-N 2.97Å; V259-I282 VanDerWaalsContact O-N 3.1Å; V259-F1005 HydrophobicContact CG2-CD1 3.96Å; V259-F1005 HydrophobicContact CG2-CE1 3.12Å; V259-F1005 HydrophobicContact CG2-CZ 3.39Å; V259-S1006 WeakPolarHBondContact CG1-OG 3.29Å
260A60.5Low77.8Confident4 Ų446.1 Ų46.13%0.03324%0.236CC..EExtended strand (participates in β ladder)trans-97.8149.9165.300000109.3I262 Y263 F268 E280 W1008A260-I262 PolarHBondContact O-N 3.29Å; A260-I262 VanDerWaalsContact O-N 3.16Å; A260-Y263 PolarHBondContact O-N 3.37Å; A260-F268 VanDerWaalsContact C-CE2 3.5Å; A260-E280 CarbonylContact C-O 3.56Å; A260-E280 WeakPolarHBondContact CA-O 3.17Å; A260-W1008 HydrophobicContact CB-CB 4.09Å; A260-W1008 HydrophobicContact CB-CD2 3.9Å; A260-W1008 HydrophobicContact CB-CG 3.6Å
261R61.3Low77.9Confident49 Ų4945.8 Ų45.819%0.18523%0.234CC..G310 helixtrans-49.7-44.5-178.9-159.6-168.1-161.298.2-4.6113.1Y263 N264 Q265 F268 D278 L279 E280R261-Y263 PolarHBondContact O-N 3.43Å; R261-Y263 VanDerWaalsContact O-N 3.09Å; R261-N264 CarbonylContact O-C 3.57Å; R261-N264 VanDerWaalsContact O-C 3.31Å; R261-N264 PolarHBondContact O-N 3.39Å; R261-Q265 VanDerWaalsContact O-CA 3.28Å; R261-Q265 WeakPolarHBondContact O-CA 3.39Å; R261-Q265 WeakPolarHBondContact O-CG 3.15Å; R261-Q265 PolarHBondContact O-N 3.02Å; R261-F268 VanDerWaalsContact CA-CD2 3.43Å; R261-F268 HydrophobicContact CB-CD2 4.03Å; R261-F268 HydrophobicContact CB-CE2 4.37Å; R261-F268 HydrophobicContact CB-CG 4.48Å; R261-F268 HydrophobicContact CG-CB 3.96Å; R261-F268 HydrophobicContact CG-CD2 4.01Å; R261-F268 HydrophobicContact CG-CG 4.16Å; R261-D278 IonicContact CZ-OD1 3.92Å; R261-D278 VanDerWaalsContact CZ-OD1 3.23Å; R261-D278 IonicContact NH1-OD1 3.47Å; R261-D278 PolarHBondContact NH1-OD1 2.93Å; R261-D278 IonicContact NH2-OD1 3.49Å; R261-D278 PolarHBondContact NH2-OD1 3.41Å; R261-L279 PolarHBondContact NH1-O 2.87Å; R261-E280 PolarHBondContact N-O 3.41Å
262I52.4Low78.2Confident66 Ų6644.6 Ų44.634%0.33822%0.219SC..G310 helixtrans-55.8-32.7-171.9-62.7129.4000113A260 Q265 N1009A260-I262 PolarHBondContact O-N 3.29Å; A260-I262 VanDerWaalsContact O-N 3.16Å; I262-Q265 PolarHBondContact O-NE2 3.23Å; I262-N1009 HydrophobicContact CD1-CB 3.92Å
263Y59.3Low78.4Confident45 Ų4543.3 Ų43.318%0.17622%0.216CC..G310 helixtrans-99.6-12.8-174.4-67.2-85.6000114.6A260 R261 P1007 W1008 N1009 A1101A260-Y263 PolarHBondContact O-N 3.37Å; R261-Y263 PolarHBondContact O-N 3.43Å; R261-Y263 VanDerWaalsContact O-N 3.09Å; Y263-P1007 VanDerWaalsContact CG-C 3.49Å; Y263-W1008 WeakPolarHBondContact CE2-O 3.5Å; Y263-N1009 HydrophobicContact CE2-CB 4.41Å; Y263-N1009 WeakPolarHBondContact CE2-ND2 3.37Å; Y263-N1009 WeakPolarHBondContact CE2-OD1 3.45Å; Y263-N1009 PolarHBondContact OH-ND2 3.12Å; Y263-N1009 PolarHBondContact OH-OD1 3.02Å; Y263-A1101 HydrophobicContact CE1-CB 3.67Å; Y263-A1101 HydrophobicContact CE2-CB 4.01Å; Y263-A1101 VanDerWaalsContact OH-CB 3.27Å; Y263-A1101 WeakPolarHBondContact OH-CB 3.25Å
264N73.9Confident78.5Confident35 Ų3550 Ų5019%0.18725%0.248CC..  trans-149.665.9173.5-166.3-18.6000108.7V259 R261 K266 F267 F268 S1006V259-N264 HydrophobicContact CG1-CB 4.33Å; R261-N264 CarbonylContact O-C 3.57Å; R261-N264 VanDerWaalsContact O-C 3.31Å; R261-N264 PolarHBondContact O-N 3.39Å; N264-K266 PolarHBondContact O-N 3.4Å; N264-F267 HydrophobicContact CB-CB 4.22Å; N264-F267 VanDerWaalsContact CG-CB 3.42Å; N264-F267 PolarHBondContact O-N 2.81Å; N264-F267 VanDerWaalsContact OD1-CB 3.23Å; N264-F267 WeakPolarHBondContact OD1-CB 3.47Å; N264-F267 PolarHBondContact OD1-N 2.83Å; N264-F268 WeakPolarHBondContact O-CD2 3.33Å; N264-F268 PolarHBondContact O-N 3.47Å; N264-S1006 WeakPolarHBondContact CB-OG 3.45Å; N264-S1006 PolarHBondContact ND2-OG 2.89Å
265Q75.4Confident78.8Confident95 Ų9548.3 Ų48.344%0.44424%0.236SC..Hα-helixtrans-58.1-37.4-179.2-60.5-174.941.500110R261 I262 F268 Q269R261-Q265 VanDerWaalsContact O-CA 3.28Å; R261-Q265 WeakPolarHBondContact O-CA 3.39Å; R261-Q265 WeakPolarHBondContact O-CG 3.15Å; R261-Q265 PolarHBondContact O-N 3.02Å; I262-Q265 PolarHBondContact O-NE2 3.23Å; Q265-F268 PolarHBondContact O-N 2.75Å; Q265-Q269 WeakPolarHBondContact O-CB 3.18Å; Q265-Q269 PolarHBondContact O-N 2.74Å
266K84.1Confident79Confident149 Ų14949.6 Ų49.665%0.64824%0.244SC*.Hα-helixtrans-54.2-55.9173.7-177161-173.4165.50112.7N264 F268 Q269 D270N264-K266 PolarHBondContact O-N 3.4Å; K266-F268 VanDerWaalsContact C-N 3.26Å; K266-F268 PolarHBondContact O-N 2.75Å; K266-Q269 CarbonylContact O-C 3.57Å; K266-Q269 PolarHBondContact O-N 3.35Å; K266-D270 WeakPolarHBondContact CG-OD2 3.32Å; K266-D270 WeakPolarHBondContact O-CB 3.3Å; K266-D270 PolarHBondContact O-N 3.27Å
267F87.3Confident79.5Confident33 Ų3349.5 Ų49.515%0.14524%0.243CC..Hα-helixtrans-54.3-39.2178.6167.2-94.6000113.4V259 N264 L271 I282 F338V259-F267 HydrophobicContact CG1-CD1 3.85Å; V259-F267 HydrophobicContact CG1-CE1 4.22Å; N264-F267 HydrophobicContact CB-CB 4.22Å; N264-F267 VanDerWaalsContact CG-CB 3.42Å; N264-F267 PolarHBondContact O-N 2.81Å; N264-F267 VanDerWaalsContact OD1-CB 3.23Å; N264-F267 WeakPolarHBondContact OD1-CB 3.47Å; N264-F267 PolarHBondContact OD1-N 2.83Å; F267-L271 VanDerWaalsContact O-CB 3.31Å; F267-L271 WeakPolarHBondContact O-CB 3.5Å; F267-L271 PolarHBondContact O-N 3.49Å; F267-I282 HydrophobicContact CE1-CG2 3.86Å; F267-I282 HydrophobicContact CZ-CG2 4.18Å; F267-F338 AromaticContact CD2-CE1 3.91Å; F267-F338 HydrophobicContact CD2-CE1 3.91Å; F267-F338 AromaticContact CE2-CD1 3.8Å; F267-F338 HydrophobicContact CE2-CD1 3.8Å; F267-F338 AromaticContact CE2-CE1 3.56Å; F267-F338 HydrophobicContact CE2-CE1 3.56Å; F267-F338 HydrophobicContact CZ-CD1 4.1Å; F267-F338 HydrophobicContact CZ-CE1 4.14Å
268F88.6Confident80.7Confident0 Ų048.6 Ų48.60%024%0.236CC..Hα-helixtrans-79.9-25.3177.5-72.8-74000113.9V259 A260 R261 N264 Q265 K266 L271 L272 L279 I282V259-F268 HydrophobicContact CB-CE2 3.94Å; V259-F268 HydrophobicContact CB-CZ 3.83Å; V259-F268 HydrophobicContact CG1-CD2 4.21Å; V259-F268 HydrophobicContact CG1-CE2 3.26Å; V259-F268 HydrophobicContact CG1-CZ 3.64Å; V259-F268 WeakPolarHBondContact O-CZ 3.42Å; A260-F268 VanDerWaalsContact C-CE2 3.5Å; R261-F268 VanDerWaalsContact CA-CD2 3.43Å; R261-F268 HydrophobicContact CB-CD2 4.03Å; R261-F268 HydrophobicContact CB-CE2 4.37Å; R261-F268 HydrophobicContact CB-CG 4.48Å; R261-F268 HydrophobicContact CG-CB 3.96Å; R261-F268 HydrophobicContact CG-CD2 4.01Å; R261-F268 HydrophobicContact CG-CG 4.16Å; N264-F268 WeakPolarHBondContact O-CD2 3.33Å; N264-F268 PolarHBondContact O-N 3.47Å; Q265-F268 PolarHBondContact O-N 2.75Å; K266-F268 VanDerWaalsContact C-N 3.26Å; K266-F268 PolarHBondContact O-N 2.75Å; F268-L271 HydrophobicContact CD1-CD2 4.05Å; F268-L271 HydrophobicContact CE1-CD2 4.47Å; F268-L272 VanDerWaalsContact O-CB 3.25Å; F268-L272 WeakPolarHBondContact O-CB 3.32Å; F268-L272 PolarHBondContact O-N 3.46Å; F268-L279 HydrophobicContact CD1-CB 3.78Å; F268-L279 HydrophobicContact CE1-CB 3.57Å; F268-L279 HydrophobicContact CE1-CD1 4.24Å; F268-L279 HydrophobicContact CE1-CG 4.49Å; F268-I282 HydrophobicContact CE1-CG2 4.24Å; F268-I282 HydrophobicContact CZ-CG2 4.21Å
269Q89.1Confident82.1Confident79 Ų7948.5 Ų48.537%0.36924%0.235SC..Hα-helixtrans-74.9-41.1172.2-16557.74900110.6Q265 K266 L272 N273Q265-Q269 WeakPolarHBondContact O-CB 3.18Å; Q265-Q269 PolarHBondContact O-N 2.74Å; K266-Q269 CarbonylContact O-C 3.57Å; K266-Q269 PolarHBondContact O-N 3.35Å; Q269-L272 PolarHBondContact O-N 3.48Å; Q269-N273 PolarHBondContact NE2-OD1 3.35Å; Q269-N273 VanDerWaalsContact O-CB 3.26Å; Q269-N273 WeakPolarHBondContact O-CB 3.47Å; Q269-N273 PolarHBondContact O-N 3.2Å; Q269-N273 PolarHBondContact O-ND2 3.2Å; Q269-N273 PolarHBondContact O-OD1 2.97Å
270D91.8Very high83.4Confident58 Ų5852.3 Ų52.331%0.3125%0.252SS..Hα-helixtrans-60.9-46.3172-61.4-20.4000110.2K266 L272 N273 E274 F338K266-D270 WeakPolarHBondContact CG-OD2 3.32Å; K266-D270 WeakPolarHBondContact O-CB 3.3Å; K266-D270 PolarHBondContact O-N 3.27Å; D270-L272 PolarHBondContact O-N 3.07Å; D270-N273 PolarHBondContact O-N 2.95Å; D270-E274 WeakPolarHBondContact O-CB 3.36Å; D270-E274 PolarHBondContact O-N 3.41Å; D270-F338 HydrophobicContact CB-CZ 3.94Å
271L92.6Very high84.7Confident1 Ų152.2 Ų52.21%0.00525%0.251CS..Hα-helixtrans-57.1-45.917317768.4000112.1F267 F268 T275 I277 L279 F338F267-L271 VanDerWaalsContact O-CB 3.31Å; F267-L271 WeakPolarHBondContact O-CB 3.5Å; F267-L271 PolarHBondContact O-N 3.49Å; F268-L271 HydrophobicContact CD1-CD2 4.05Å; F268-L271 HydrophobicContact CE1-CD2 4.47Å; L271-T275 HydrophobicContact CD1-CG2 4.27Å; L271-T275 WeakPolarHBondContact CD1-OG1 3.38Å; L271-T275 WeakPolarHBondContact O-CA 3.42Å; L271-T275 WeakPolarHBondContact O-CB 3.46Å; L271-T275 PolarHBondContact O-N 2.97Å; L271-T275 PolarHBondContact O-OG1 3.32Å; L271-I277 HydrophobicContact CD1-CB 4.29Å; L271-I277 HydrophobicContact CD1-CG2 4.35Å; L271-I277 HydrophobicContact CD2-CB 4.46Å; L271-I277 HydrophobicContact CD2-CG2 3.9Å; L271-I277 HydrophobicContact CG-CB 4.17Å; L271-I277 HydrophobicContact CG-CG2 4.16Å; L271-L279 HydrophobicContact CD2-CB 4.48Å; L271-L279 HydrophobicContact CD2-CD1 3.72Å; L271-L279 HydrophobicContact CD2-CG 3.99Å; L271-F338 HydrophobicContact CB-CD1 3.89Å; L271-F338 HydrophobicContact CB-CE1 3.61Å; L271-F338 HydrophobicContact CB-CZ 4.15Å; L271-F338 HydrophobicContact CD1-CB 3.78Å; L271-F338 HydrophobicContact CD1-CD1 3.41Å; L271-F338 VanDerWaalsContact CD1-CD1 3.41Å; L271-F338 HydrophobicContact CD1-CD2 4.37Å; L271-F338 HydrophobicContact CD1-CE1 4.07Å; L271-F338 HydrophobicContact CD1-CG 3.58Å; L271-F338 HydrophobicContact CG-CD1 4.19Å; L271-F338 HydrophobicContact CG-CE1 4.42Å
272L93.3Very high86.1Confident38 Ų3849.9 Ų49.920%0.19924%0.242CC..Hα-helixtrans-65.6-42.3178.8177.856.2000111.6F268 Q269 D270 D276 D278F268-L272 VanDerWaalsContact O-CB 3.25Å; F268-L272 WeakPolarHBondContact O-CB 3.32Å; F268-L272 PolarHBondContact O-N 3.46Å; Q269-L272 PolarHBondContact O-N 3.48Å; D270-L272 PolarHBondContact O-N 3.07Å; L272-D276 VanDerWaalsContact O-CA 3.28Å; L272-D276 WeakPolarHBondContact O-CA 3.47Å; L272-D276 PolarHBondContact O-N 3.47Å; L272-D278 HydrophobicContact CD1-CB 3.94Å
273N93.3Very high87.9Confident110 Ų11046.9 Ų46.959%0.58823%0.227SC*.Hα-helixtrans-69.5-41.7-179.2-67.7-9.7000112.4Q269 D270Q269-N273 PolarHBondContact NE2-OD1 3.35Å; Q269-N273 VanDerWaalsContact O-CB 3.26Å; Q269-N273 WeakPolarHBondContact O-CB 3.47Å; Q269-N273 PolarHBondContact O-N 3.2Å; Q269-N273 PolarHBondContact O-ND2 3.2Å; Q269-N273 PolarHBondContact O-OD1 2.97Å; D270-N273 PolarHBondContact O-N 2.95Å
274E93.3Very high89.5Confident145 Ų14544.7 Ų44.768%0.67822%0.218SC*.Hα-helixtrans-84-25.8-178.4-71.4-173-143.900113.5D270 F338D270-E274 WeakPolarHBondContact O-CB 3.36Å; D270-E274 PolarHBondContact O-N 3.41Å; E274-F338 HydrophobicContact CB-CE2 4.15Å; E274-F338 HydrophobicContact CG-CE2 4.39Å
275T92.8Very high90.4Very high26 Ų2644 Ų4416%0.1621%0.214CC..Hα-helixtrans-134-1.5-169.177.70000115.9L271 I277 R304 F338L271-T275 HydrophobicContact CD1-CG2 4.27Å; L271-T275 WeakPolarHBondContact CD1-OG1 3.38Å; L271-T275 WeakPolarHBondContact O-CA 3.42Å; L271-T275 WeakPolarHBondContact O-CB 3.46Å; L271-T275 PolarHBondContact O-N 2.97Å; L271-T275 PolarHBondContact O-OG1 3.32Å; T275-I277 PolarHBondContact O-N 2.9Å; T275-I277 VanDerWaalsContact O-N 3.17Å; T275-I277 WeakPolarHBondContact OG1-CB 3.34Å; T275-R304 VanDerWaalsContact O-CZ 3.25Å; T275-R304 PolarHBondContact O-NE 3.46Å; T275-R304 PolarHBondContact O-NH2 3.04Å; T275-F338 HydrophobicContact CG2-CB 4.48Å; T275-F338 HydrophobicContact CG2-CD2 4.12Å
276D93.5Very high91.2Very high63 Ų6340.9 Ų40.934%0.33720%0.198SC..  trans60.815.3-174.9-92.7-31.2000115.6L272 S300 K303L272-D276 VanDerWaalsContact O-CA 3.28Å; L272-D276 WeakPolarHBondContact O-CA 3.47Å; L272-D276 PolarHBondContact O-N 3.47Å; D276-S300 PolarHBondContact O-OG 2.78Å; D276-K303 HydrophobicContact CB-CD 4.47Å; D276-K303 VanDerWaalsContact CG-CE 3.43Å; D276-K303 WeakPolarHBondContact OD1-CE 3.25Å; D276-K303 IonicContact OD1-NZ 3.81Å; D276-K303 PolarHBondContact OD1-NZ 3.3Å; D276-K303 WeakPolarHBondContact OD2-CE 3.49Å; D276-K303 IonicContact OD2-NZ 3.27Å; D276-K303 PolarHBondContact OD2-NZ 3.48Å
277I96.2Very high91.6Very high0 Ų034.3 Ų34.30%017%0.17CC..  trans-95.9111-179.1-69.5174.8000110L271 T275 L279 S300 Y331 D334 A335L271-I277 HydrophobicContact CD1-CB 4.29Å; L271-I277 HydrophobicContact CD1-CG2 4.35Å; L271-I277 HydrophobicContact CD2-CB 4.46Å; L271-I277 HydrophobicContact CD2-CG2 3.9Å; L271-I277 HydrophobicContact CG-CB 4.17Å; L271-I277 HydrophobicContact CG-CG2 4.16Å; T275-I277 PolarHBondContact O-N 2.9Å; T275-I277 VanDerWaalsContact O-N 3.17Å; T275-I277 WeakPolarHBondContact OG1-CB 3.34Å; I277-L279 HydrophobicContact CG2-CD1 4.11Å; I277-L279 HydrophobicContact CG2-CD2 3.91Å; I277-L279 HydrophobicContact CG2-CG 3.7Å; I277-S300 WeakPolarHBondContact CA-OG 3.39Å; I277-Y331 HydrophobicContact CB-CE2 4.46Å; I277-Y331 HydrophobicContact CD1-CD2 4.38Å; I277-Y331 HydrophobicContact CD1-CG 4.38Å; I277-Y331 WeakPolarHBondContact CD1-O 3.49Å; I277-Y331 HydrophobicContact CG1-CD2 4.04Å; I277-Y331 HydrophobicContact CG1-CE2 3.84Å; I277-Y331 HydrophobicContact CG1-CG 4.48Å; I277-Y331 HydrophobicContact CG2-CE1 3.98Å; I277-Y331 HydrophobicContact CG2-CE2 4.38Å; I277-D334 HydrophobicContact CD1-CB 3.75Å; I277-A335 HydrophobicContact CD1-CB 4.24Å; I277-A335 HydrophobicContact CG2-CB 4.37Å
278D94.3Very high91.8Very high22 Ų2235.8 Ų35.812%0.11818%0.18CC..  trans-102.6100.9179.9-163.930.3000110.9R261 L272 K297 S300R261-D278 IonicContact CZ-OD1 3.92Å; R261-D278 VanDerWaalsContact CZ-OD1 3.23Å; R261-D278 IonicContact NH1-OD1 3.47Å; R261-D278 PolarHBondContact NH1-OD1 2.93Å; R261-D278 IonicContact NH2-OD1 3.49Å; R261-D278 PolarHBondContact NH2-OD1 3.41Å; L272-D278 HydrophobicContact CD1-CB 3.94Å; D278-K297 VanDerWaalsContact CG-NZ 3.27Å; D278-K297 PolarHBondContact O-N 2.98Å; D278-K297 IonicContact OD1-NZ 3.53Å; D278-K297 PolarHBondContact OD1-NZ 3.06Å; D278-K297 VanDerWaalsContact OD1-NZ 3.13Å; D278-K297 VanDerWaalsContact OD2-CD 3.24Å; D278-K297 WeakPolarHBondContact OD2-CD 3.45Å; D278-K297 WeakPolarHBondContact OD2-CE 3.4Å; D278-K297 IonicContact OD2-NZ 3.57Å; D278-K297 PolarHBondContact OD2-NZ 3.24Å; D278-S300 PolarHBondContact N-OG 2.69Å
279L91.9Very high92.1Very high0 Ų036.4 Ų36.40%018%0.184CC..EExtended strand (participates in β ladder)trans-106.9154.6179.5-57.5179.6000112.3R261 F268 L271 I277 I282 M294 T295 A296 Y331 A335R261-L279 PolarHBondContact NH1-O 2.87Å; F268-L279 HydrophobicContact CD1-CB 3.78Å; F268-L279 HydrophobicContact CE1-CB 3.57Å; F268-L279 HydrophobicContact CE1-CD1 4.24Å; F268-L279 HydrophobicContact CE1-CG 4.49Å; L271-L279 HydrophobicContact CD2-CB 4.48Å; L271-L279 HydrophobicContact CD2-CD1 3.72Å; L271-L279 HydrophobicContact CD2-CG 3.99Å; I277-L279 HydrophobicContact CG2-CD1 4.11Å; I277-L279 HydrophobicContact CG2-CD2 3.91Å; I277-L279 HydrophobicContact CG2-CG 3.7Å; L279-I282 HydrophobicContact CD1-CB 4.12Å; L279-I282 HydrophobicContact CD1-CD1 4.22Å; L279-M294 HydrophobicContact CD1-CB 4.06Å; L279-M294 HydrophobicContact CD1-SD 4.25Å; L279-M294 HydrophobicContact CD2-CB 4.31Å; L279-M294 HydrophobicContact CD2-CG 4.3Å; L279-M294 HydrophobicContact CD2-SD 4.23Å; L279-T295 CarbonylContact C-O 3.59Å; L279-T295 WeakPolarHBondContact CA-O 3.3Å; L279-A296 HydrophobicContact CD2-CB 3.64Å; L279-Y331 HydrophobicContact CD2-CE1 4.08Å; L279-A335 HydrophobicContact CD1-CB 4.46Å
280E87.2Confident92.4Very high81 Ų8132.8 Ų32.838%0.37917%0.167SC..EExtended strand (participates in β ladder)trans-95.7-31.2166.3-57.6-175.2153.400111.1A260 R261 T295 K297A260-E280 CarbonylContact C-O 3.56Å; A260-E280 WeakPolarHBondContact CA-O 3.17Å; R261-E280 PolarHBondContact N-O 3.41Å; E280-T295 HydrophobicContact CB-CG2 4.29Å; E280-T295 PolarHBondContact N-O 3.33Å; E280-K297 HydrophobicContact CG-CD 4.18Å; E280-K297 HydrophobicContact CG-CG 3.78Å
281N86.9Confident92.6Very high2 Ų230.3 Ų30.31%0.01115%0.153CC..EExtended strand (participates in β ladder)trans-150.6156.1172147.581.1000114.2V259 M294 T295 W1008V259-N281 PolarHBondContact N-OD1 2.78Å; V259-N281 CarbonylContact O-C 3.59Å; V259-N281 WeakPolarHBondContact O-CA 3.45Å; V259-N281 VanDerWaalsContact O-CB 3.23Å; V259-N281 WeakPolarHBondContact O-CB 3.5Å; V259-N281 PolarHBondContact O-OD1 3.26Å; N281-M294 CarbonylContact O-C 3.55Å; N281-M294 WeakPolarHBondContact O-CA 3.36Å; N281-M294 VanDerWaalsContact O-CB 3.28Å; N281-M294 WeakPolarHBondContact O-CB 3.41Å; N281-T295 PolarHBondContact O-N 2.81Å; N281-W1008 HydrophobicContact CB-CZ2 3.55Å; N281-W1008 VanDerWaalsContact CG-CZ2 3.41Å; N281-W1008 VanDerWaalsContact CG-NE1 3.31Å; N281-W1008 PolarHBondContact OD1-NE1 2.9Å
282I90.7Very high92.7Very high0 Ų030.3 Ų30.30%015%0.153CC..EExtended strand (participates in β ladder)trans-137.1137.2157.4-169.9155.2000112.2I256 G258 V259 F267 F268 L279 F292 M294 A335I256-I282 HydrophobicContact CG2-CG2 4.49Å; I256-I282 WeakPolarHBondContact CG2-O 3.5Å; G258-I282 CarbonylContact C-O 3.58Å; G258-I282 WeakPolarHBondContact CA-O 3.39Å; V259-I282 HydrophobicContact CB-CG2 4.16Å; V259-I282 HydrophobicContact CG2-CG2 4.16Å; V259-I282 PolarHBondContact N-O 2.84Å; V259-I282 PolarHBondContact O-N 2.97Å; V259-I282 VanDerWaalsContact O-N 3.1Å; F267-I282 HydrophobicContact CE1-CG2 3.86Å; F267-I282 HydrophobicContact CZ-CG2 4.18Å; F268-I282 HydrophobicContact CE1-CG2 4.24Å; F268-I282 HydrophobicContact CZ-CG2 4.21Å; L279-I282 HydrophobicContact CD1-CB 4.12Å; L279-I282 HydrophobicContact CD1-CD1 4.22Å; I282-F292 HydrophobicContact CD1-CD1 4.1Å; I282-F292 HydrophobicContact CG1-CD1 4.3Å; I282-M294 HydrophobicContact CB-CB 4.17Å; I282-M294 HydrophobicContact CD1-CB 4.31Å; I282-M294 HydrophobicContact CD1-CE 3.86Å; I282-M294 HydrophobicContact CD1-SD 4.48Å; I282-M294 HydrophobicContact CG1-CB 4.08Å; I282-A335 HydrophobicContact CD1-CB 4.17Å
283V90.6Very high92.8Very high2 Ų228.6 Ų28.61%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-120144.3173.8-178.60000108I256 Y285 F292 V293 P399I256-V283 WeakPolarHBondContact O-CG1 3.49Å; V283-Y285 HydrophobicContact CG1-CD1 4.39Å; V283-Y285 HydrophobicContact CG1-CD2 4.17Å; V283-Y285 HydrophobicContact CG1-CE1 3.94Å; V283-Y285 HydrophobicContact CG1-CE2 3.68Å; V283-Y285 HydrophobicContact CG1-CG 4.49Å; V283-F292 VanDerWaalsContact O-CA 3.25Å; V283-F292 WeakPolarHBondContact O-CA 3.37Å; V283-V293 HydrophobicContact CB-CG1 3.67Å; V283-V293 HydrophobicContact CG1-CG1 4.21Å; V283-V293 HydrophobicContact CG2-CG1 3.99Å; V283-V293 PolarHBondContact N-O 2.89Å; V283-V293 PolarHBondContact O-N 2.9Å; V283-P399 HydrophobicContact CG2-CB 4.45Å
284Y93.3Very high92.8Very high0 Ų023.4 Ų23.40%012%0.116CC..EExtended strand (participates in β ladder)trans-140.4129.4167.8150.2-99.7000112.5V253 P254 I256 K286 H290 Y291 F292 T340 L344V253-Y284 HydrophobicContact CG1-CE1 4.05Å; P254-Y284 WeakPolarHBondContact O-CE1 3.39Å; I256-Y284 HydrophobicContact CB-CD1 4.35Å; I256-Y284 VanDerWaalsContact CB-N 3.35Å; I256-Y284 HydrophobicContact CD1-CD1 4.47Å; I256-Y284 HydrophobicContact CG1-CD1 3.96Å; I256-Y284 HydrophobicContact CG1-CG 4.45Å; I256-Y284 PolarHBondContact N-O 2.95Å; I256-Y284 PolarHBondContact O-N 2.78Å; Y284-K286 HydrophobicContact CE2-CB 4.48Å; Y284-K286 WeakPolarHBondContact OH-CE 3.47Å; Y284-H290 HydrophobicContact CD2-CB 4.4Å; Y284-H290 HydrophobicContact CE2-CB 3.68Å; Y284-H290 AromaticContact CE2-CG 3.94Å; Y284-H290 AromaticContact CE2-ND1 3.58Å; Y284-H290 AromaticContact CZ-ND1 3.73Å; Y284-H290 PolarHBondContact OH-ND1 3.11Å; Y284-Y291 CarbonylContact C-O 3.57Å; Y284-Y291 WeakPolarHBondContact CA-O 3.3Å; Y284-Y291 WeakPolarHBondContact CD2-O 3.5Å; Y284-F292 HydrophobicContact CD2-CD1 4.45Å; Y284-F292 AromaticContact CD2-CD2 3.96Å; Y284-F292 HydrophobicContact CD2-CD2 3.96Å; Y284-F292 HydrophobicContact CD2-CE1 4.03Å; Y284-F292 AromaticContact CD2-CE2 3.49Å; Y284-F292 HydrophobicContact CD2-CE2 3.49Å; Y284-F292 VanDerWaalsContact CD2-CE2 3.49Å; Y284-F292 HydrophobicContact CD2-CG 4.41Å; Y284-F292 AromaticContact CD2-CZ 3.52Å; Y284-F292 HydrophobicContact CD2-CZ 3.52Å; Y284-F292 HydrophobicContact CE2-CE2 4.04Å; Y284-F292 HydrophobicContact CE2-CZ 4.15Å; Y284-F292 HydrophobicContact CG-CD1 4.37Å; Y284-F292 AromaticContact CG-CE1 3.89Å; Y284-F292 HydrophobicContact CG-CE1 3.89Å; Y284-F292 HydrophobicContact CG-CE2 4.2Å; Y284-F292 AromaticContact CG-CZ 3.8Å; Y284-F292 HydrophobicContact CG-CZ 3.8Å; Y284-T340 HydrophobicContact CD1-CG2 4.45Å; Y284-L344 HydrophobicContact CE2-CD1 4.18Å
285Y92.6Very high92.7Very high21 Ų2116.7 Ų16.78%0.0829%0.085CC..EExtended strand (participates in β ladder)trans-120.2143.9176.6-62.2-46000110.5V124 H126 H154 V283 Y291V124-Y285 HydrophobicContact CB-CD2 4.17Å; V124-Y285 HydrophobicContact CG1-CD2 3.79Å; V124-Y285 HydrophobicContact CG1-CG 4.13Å; H126-Y285 HydrophobicContact CB-CE2 4.37Å; H154-Y285 HydrophobicContact CB-CG 4.43Å; H154-Y285 AromaticContact CD2-CD1 3.45Å; H154-Y285 VanDerWaalsContact CD2-CD1 3.45Å; H154-Y285 WeakPolarHBondContact CD2-CD1 3.47Å; H154-Y285 AromaticContact CD2-CG 3.68Å; H154-Y285 AromaticContact NE2-CD1 3.98Å; V283-Y285 HydrophobicContact CG1-CD1 4.39Å; V283-Y285 HydrophobicContact CG1-CD2 4.17Å; V283-Y285 HydrophobicContact CG1-CE1 3.94Å; V283-Y285 HydrophobicContact CG1-CE2 3.68Å; V283-Y285 HydrophobicContact CG1-CG 4.49Å; Y285-Y291 AromaticContact CD2-CD1 3.82Å; Y285-Y291 HydrophobicContact CD2-CD1 3.82Å; Y285-Y291 HydrophobicContact CD2-CE1 4.01Å; Y285-Y291 HydrophobicContact CG-CD1 4.48Å; Y285-Y291 PolarHBondContact N-O 2.87Å; Y285-Y291 PolarHBondContact O-N 2.8Å
286K92.1Very high92.7Very high29 Ų2915.5 Ų15.513%0.1268%0.078CC..EExtended strand (participates in β ladder)trans-109.383-176.4-167.7-169-42.9-1750110.8E250 A251 V253 E255 Y284E250-K286 WeakPolarHBondContact O-CE 3.14Å; E250-K286 PolarHBondContact O-NZ 3.03Å; A251-K286 VanDerWaalsContact C-NZ 3.31Å; A251-K286 PolarHBondContact O-NZ 3.09Å; V253-K286 WeakPolarHBondContact O-CE 3.38Å; V253-K286 PolarHBondContact O-NZ 2.84Å; E255-K286 HydrophobicContact CG-CB 4.22Å; Y284-K286 HydrophobicContact CE2-CB 4.48Å; Y284-K286 WeakPolarHBondContact OH-CE 3.47Å
287D92.2Very high92.6Very high10 Ų1015.2 Ų15.25%0.0537%0.074CC..SBendtrans-103.4-142.9-175.6-153.1-96.4000110V124 H154 I155 S156 N244 T289V124-D287 HydrophobicContact CB-CB 4.45Å; V124-D287 HydrophobicContact CG1-CB 4.13Å; V124-D287 HydrophobicContact CG2-CB 3.42Å; V124-D287 VanDerWaalsContact CG2-CB 3.42Å; H154-D287 IonicContact CE1-OD2 3.89Å; H154-D287 IonicContact ND1-OD2 3.05Å; H154-D287 PolarHBondContact ND1-OD2 2.97Å; I155-D287 VanDerWaalsContact CA-OD2 3.29Å; I155-D287 WeakPolarHBondContact CA-OD2 3.05Å; S156-D287 VanDerWaalsContact CB-OD1 3.29Å; S156-D287 WeakPolarHBondContact CB-OD1 3.46Å; S156-D287 PolarHBondContact N-OD1 3.43Å; S156-D287 PolarHBondContact N-OD2 2.98Å; S156-D287 PolarHBondContact OG-OD1 2.84Å; S156-D287 VanDerWaalsContact OG-OD1 3.13Å; N244-D287 PolarHBondContact ND2-O 2.93Å; D287-T289 CarbonylContact C-O 3.51Å; D287-T289 PolarHBondContact N-O 3.03Å; D287-T289 PolarHBondContact O-N 2.86Å
288D91.2Very high92.4Very high65 Ų6518 Ų1835%0.3488%0.084SC..SBendtrans-66.6-11.6165.6-75.9-35.8000113.3Y144 K146Y144-D288 PolarHBondContact OH-OD2 3.22Å; K146-D288 IonicContact NZ-OD1 2.85Å; K146-D288 PolarHBondContact NZ-OD1 2.91Å
289T94.7Very high92.2Very high13 Ų1325.3 Ų25.38%0.0812%0.115CC..EExtended strand (participates in β ladder)trans-128.6161.3166.153.50000110.4N122 N241 F242 D287 Y291 A350N122-T289 HydrophobicContact CB-CG2 4.36Å; N241-T289 HydrophobicContact CB-CG2 4.2Å; N241-T289 PolarHBondContact OD1-OG1 2.89Å; F242-T289 WeakPolarHBondContact O-CA 3.42Å; F242-T289 WeakPolarHBondContact O-CB 3.45Å; D287-T289 CarbonylContact C-O 3.51Å; D287-T289 PolarHBondContact N-O 3.03Å; D287-T289 PolarHBondContact O-N 2.86Å; T289-Y291 PolarHBondContact O-N 3.38Å; T289-A350 HydrophobicContact CG2-CB 3.95Å
290H95.9Very high92.4Very high3 Ų325.6 Ų25.61%0.01412%0.117CC..EExtended strand (participates in β ladder)trans-79.497.4160.9-66.5-50.7000107.7F242 I243 N244 E250 Y284 F292 L344F242-H290 HydrophobicContact CB-CB 4.13Å; F242-H290 PolarHBondContact N-O 3.46Å; F242-H290 PolarHBondContact O-N 2.99Å; I243-H290 PolarHBondContact O-CD2 3.09Å; I243-H290 VanDerWaalsContact O-CD2 3.27Å; N244-H290 PolarHBondContact OD1-CE1 3.05Å; E250-H290 IonicContact OE1-CD2 2.64Å; E250-H290 IonicContact OE1-CE1 2.68Å; E250-H290 IonicContact OE1-NE2 3.45Å; E250-H290 PolarHBondContact OE1-NE2 2.61Å; Y284-H290 HydrophobicContact CD2-CB 4.4Å; Y284-H290 HydrophobicContact CE2-CB 3.68Å; Y284-H290 AromaticContact CE2-CG 3.94Å; Y284-H290 AromaticContact CE2-ND1 3.58Å; Y284-H290 AromaticContact CZ-ND1 3.73Å; Y284-H290 PolarHBondContact OH-ND1 3.11Å; H290-F292 HydrophobicContact CB-CE2 4.26Å; H290-L344 HydrophobicContact CB-CD1 4.28Å
291Y96.3Very high92.8Very high6 Ų621.7 Ų21.72%0.02410%0.099CC..EExtended strand (participates in β ladder)trans-95.6129.8-175.3167.3-101.1000110.9N123 V124 T239 A240 N241 Y284 Y285 T289 V293N123-Y291 HydrophobicContact CB-CD2 4.1Å; N123-Y291 HydrophobicContact CB-CE2 3.49Å; N123-Y291 VanDerWaalsContact CB-CE2 3.49Å; V124-Y291 HydrophobicContact CB-CD1 3.58Å; V124-Y291 HydrophobicContact CB-CD2 4.49Å; V124-Y291 HydrophobicContact CB-CE1 4.1Å; V124-Y291 HydrophobicContact CB-CG 3.74Å; V124-Y291 VanDerWaalsContact CG2-CB 3.49Å; V124-Y291 HydrophobicContact CG2-CD1 4.16Å; V124-Y291 HydrophobicContact CG2-CG 3.82Å; V124-Y291 WeakPolarHBondContact O-CE1 3.5Å; T239-Y291 HydrophobicContact CG2-CE2 4.25Å; A240-Y291 WeakPolarHBondContact O-CA 3.43Å; N241-Y291 WeakPolarHBondContact OD1-CD2 3.33Å; Y284-Y291 CarbonylContact C-O 3.57Å; Y284-Y291 WeakPolarHBondContact CA-O 3.3Å; Y284-Y291 WeakPolarHBondContact CD2-O 3.5Å; Y285-Y291 AromaticContact CD2-CD1 3.82Å; Y285-Y291 HydrophobicContact CD2-CD1 3.82Å; Y285-Y291 HydrophobicContact CD2-CE1 4.01Å; Y285-Y291 HydrophobicContact CG-CD1 4.48Å; Y285-Y291 PolarHBondContact N-O 2.87Å; Y285-Y291 PolarHBondContact O-N 2.8Å; T289-Y291 PolarHBondContact O-N 3.38Å; Y291-V293 HydrophobicContact CE1-CB 4.11Å; Y291-V293 HydrophobicContact CE1-CG1 3.72Å
292F95.5Very high93.2Very high0 Ų024 Ų240%011%0.111CC..EExtended strand (participates in β ladder)trans-117.1140.4172.5-67.7-103.5000110.2T239 A240 F242 I282 V283 Y284 H290 M294 A336 S339 T340 L344T239-F292 CarbonylContact C-O 3.42Å; T239-F292 VanDerWaalsContact CA-O 3.28Å; T239-F292 WeakPolarHBondContact CA-O 3.44Å; A240-F292 PolarHBondContact N-O 3.17Å; A240-F292 PolarHBondContact O-N 3.02Å; F242-F292 AromaticContact CD2-CD2 3.67Å; F242-F292 HydrophobicContact CD2-CD2 3.67Å; F242-F292 AromaticContact CD2-CE2 3.77Å; F242-F292 HydrophobicContact CD2-CE2 3.77Å; F242-F292 AromaticContact CE2-CD2 3.59Å; F242-F292 HydrophobicContact CE2-CD2 3.59Å; F242-F292 AromaticContact CE2-CE2 3.9Å; F242-F292 HydrophobicContact CE2-CE2 3.9Å; F242-F292 HydrophobicContact CE2-CG 4.39Å; I282-F292 HydrophobicContact CD1-CD1 4.1Å; I282-F292 HydrophobicContact CG1-CD1 4.3Å; V283-F292 VanDerWaalsContact O-CA 3.25Å; V283-F292 WeakPolarHBondContact O-CA 3.37Å; Y284-F292 HydrophobicContact CD2-CD1 4.45Å; Y284-F292 AromaticContact CD2-CD2 3.96Å; Y284-F292 HydrophobicContact CD2-CD2 3.96Å; Y284-F292 HydrophobicContact CD2-CE1 4.03Å; Y284-F292 AromaticContact CD2-CE2 3.49Å; Y284-F292 HydrophobicContact CD2-CE2 3.49Å; Y284-F292 VanDerWaalsContact CD2-CE2 3.49Å; Y284-F292 HydrophobicContact CD2-CG 4.41Å; Y284-F292 AromaticContact CD2-CZ 3.52Å; Y284-F292 HydrophobicContact CD2-CZ 3.52Å; Y284-F292 HydrophobicContact CE2-CE2 4.04Å; Y284-F292 HydrophobicContact CE2-CZ 4.15Å; Y284-F292 HydrophobicContact CG-CD1 4.37Å; Y284-F292 AromaticContact CG-CE1 3.89Å; Y284-F292 HydrophobicContact CG-CE1 3.89Å; Y284-F292 HydrophobicContact CG-CE2 4.2Å; Y284-F292 AromaticContact CG-CZ 3.8Å; Y284-F292 HydrophobicContact CG-CZ 3.8Å; H290-F292 HydrophobicContact CB-CE2 4.26Å; F292-M294 HydrophobicContact CB-CE 4.25Å; F292-A336 HydrophobicContact CD1-CB 3.89Å; F292-A336 HydrophobicContact CD2-CB 3.95Å; F292-A336 HydrophobicContact CE1-CB 3.66Å; F292-A336 HydrophobicContact CE2-CB 3.71Å; F292-A336 HydrophobicContact CG-CB 4.04Å; F292-A336 HydrophobicContact CZ-CB 3.56Å; F292-S339 WeakPolarHBondContact CE1-OG 3.39Å; F292-T340 HydrophobicContact CE1-CG2 4.07Å; F292-T340 HydrophobicContact CZ-CG2 3.77Å; F292-L344 HydrophobicContact CE2-CD1 4.17Å; F292-L344 HydrophobicContact CZ-CD1 3.96Å
293V94.2Very high93.4Very high3 Ų330.7 Ų30.72%0.01814%0.14CC..EExtended strand (participates in β ladder)trans-133.5126.9162.755.70000110.5I238 T239 V283 Y291 F364I238-V293 WeakPolarHBondContact O-CA 3.25Å; T239-V293 HydrophobicContact CG2-CB 3.99Å; T239-V293 HydrophobicContact CG2-CG2 3.8Å; V283-V293 HydrophobicContact CB-CG1 3.67Å; V283-V293 HydrophobicContact CG1-CG1 4.21Å; V283-V293 HydrophobicContact CG2-CG1 3.99Å; V283-V293 PolarHBondContact N-O 2.89Å; V283-V293 PolarHBondContact O-N 2.9Å; Y291-V293 HydrophobicContact CE1-CB 4.11Å; Y291-V293 HydrophobicContact CE1-CG1 3.72Å; V293-F364 HydrophobicContact CG2-CE2 4.39Å; V293-F364 HydrophobicContact CG2-CZ 4.35Å
294M92.9Very high93.7Very high0 Ų033.8 Ų33.80%015%0.151CC..EExtended strand (participates in β ladder)trans-132.2153.5-174.763.4-168.578.300111.2G237 I238 L279 N281 I282 F292 A335G237-M294 WeakPolarHBondContact CA-O 3.39Å; I238-M294 HydrophobicContact CB-CG 3.72Å; I238-M294 HydrophobicContact CB-SD 4.36Å; I238-M294 HydrophobicContact CG2-CG 4.16Å; I238-M294 HydrophobicContact CG2-SD 4.28Å; I238-M294 PolarHBondContact N-O 3.25Å; I238-M294 PolarHBondContact O-N 3.37Å; L279-M294 HydrophobicContact CD1-CB 4.06Å; L279-M294 HydrophobicContact CD1-SD 4.25Å; L279-M294 HydrophobicContact CD2-CB 4.31Å; L279-M294 HydrophobicContact CD2-CG 4.3Å; L279-M294 HydrophobicContact CD2-SD 4.23Å; N281-M294 CarbonylContact O-C 3.55Å; N281-M294 WeakPolarHBondContact O-CA 3.36Å; N281-M294 VanDerWaalsContact O-CB 3.28Å; N281-M294 WeakPolarHBondContact O-CB 3.41Å; I282-M294 HydrophobicContact CB-CB 4.17Å; I282-M294 HydrophobicContact CD1-CB 4.31Å; I282-M294 HydrophobicContact CD1-CE 3.86Å; I282-M294 HydrophobicContact CD1-SD 4.48Å; I282-M294 HydrophobicContact CG1-CB 4.08Å; F292-M294 HydrophobicContact CB-CE 4.25Å; M294-A335 HydrophobicContact CE-CB 3.84Å; M294-A335 HydrophobicContact SD-CB 3.75Å
295T91.7Very high93.8Very high4 Ų435.4 Ų35.43%0.02517%0.168CC..EExtended strand (participates in β ladder)trans-111113.9174.3-49.50000107.7A235 I236 L279 E280 N281A235-T295 HydrophobicContact CB-CG2 4.17Å; I236-T295 WeakPolarHBondContact O-CA 3.5Å; L279-T295 CarbonylContact C-O 3.59Å; L279-T295 WeakPolarHBondContact CA-O 3.3Å; E280-T295 HydrophobicContact CB-CG2 4.29Å; E280-T295 PolarHBondContact N-O 3.33Å; N281-T295 PolarHBondContact O-N 2.81Å
296A93.3Very high94Very high1 Ų134.4 Ų34.41%0.00816%0.164CC..EExtended strand (participates in β ladder)trans-106.8141.3-172.700000111.7I236 I238 L279 L301 Y331I236-A296 PolarHBondContact O-N 3.22Å; I238-A296 HydrophobicContact CD1-CB 4.11Å; L279-A296 HydrophobicContact CD2-CB 3.64Å; A296-L301 HydrophobicContact CB-CD1 3.98Å; A296-L301 HydrophobicContact CB-CD2 3.91Å; A296-L301 HydrophobicContact CB-CG 4Å; A296-Y331 HydrophobicContact CB-CE1 4Å
297K91.2Very high94.2Very high57 Ų5733.2 Ų33.225%0.24816%0.159CC..  trans-82134.4177.2-57.5-160.7-149.4131.10111.2D278 E280 K299 S300 L301D278-K297 VanDerWaalsContact CG-NZ 3.27Å; D278-K297 PolarHBondContact O-N 2.98Å; D278-K297 IonicContact OD1-NZ 3.53Å; D278-K297 PolarHBondContact OD1-NZ 3.06Å; D278-K297 VanDerWaalsContact OD1-NZ 3.13Å; D278-K297 VanDerWaalsContact OD2-CD 3.24Å; D278-K297 WeakPolarHBondContact OD2-CD 3.45Å; D278-K297 WeakPolarHBondContact OD2-CE 3.4Å; D278-K297 IonicContact OD2-NZ 3.57Å; D278-K297 PolarHBondContact OD2-NZ 3.24Å; E280-K297 HydrophobicContact CG-CD 4.18Å; E280-K297 HydrophobicContact CG-CG 3.78Å; K297-K299 PolarHBondContact O-N 3.34Å; K297-S300 PolarHBondContact O-N 3.47Å; K297-L301 PolarHBondContact O-N 3.24Å
298R90.8Very high94.3Very high59 Ų5937.8 Ų37.822%0.22318%0.178CC..Hα-helixtrans-39.3-47175.1171.6170.1169.5147.40.1113.9L234 I236 S300 L301 L302 D310 Y311 L317L234-R298 HydrophobicContact CD2-CB 4.01Å; L234-R298 HydrophobicContact CD2-CG 4.3Å; I236-R298 HydrophobicContact CD1-CB 4.28Å; R298-S300 PolarHBondContact O-N 2.89Å; R298-L301 PolarHBondContact O-N 2.99Å; R298-L302 HydrophobicContact CG-CD1 3.9Å; R298-L302 WeakPolarHBondContact O-CD1 3.44Å; R298-L302 VanDerWaalsContact O-CG 3.31Å; R298-L302 WeakPolarHBondContact O-CG 3.45Å; R298-L302 PolarHBondContact O-N 3.29Å; R298-L302 VanDerWaalsContact O-N 3.07Å; R298-D310 IonicContact CZ-OD1 3.85Å; R298-D310 IonicContact CZ-OD2 3.68Å; R298-D310 IonicContact NE-OD1 3.73Å; R298-D310 PolarHBondContact NE-OD1 3.17Å; R298-D310 IonicContact NE-OD2 3.09Å; R298-D310 PolarHBondContact NE-OD2 3.14Å; R298-D310 PolarHBondContact NH2-O 3.26Å; R298-D310 IonicContact NH2-OD1 3.58Å; R298-D310 PolarHBondContact NH2-OD1 3Å; R298-D310 IonicContact NH2-OD2 2.71Å; R298-D310 PolarHBondContact NH2-OD2 3.27Å; R298-Y311 PolarHBondContact NH1-O 3.33Å; R298-Y311 PolarHBondContact NH2-O 3.3Å; R298-L317 HydrophobicContact CG-CD2 4.44Å
299K92Very high94.4Very high176 Ų17640 Ų4077%0.76519%0.187SC*.Hα-helixtrans-60.2-38.8179.8-69.9-170.2177.3-175.40114K297 K303K297-K299 PolarHBondContact O-N 3.34Å; K299-K303 WeakPolarHBondContact O-CB 3.22Å; K299-K303 PolarHBondContact O-N 2.93Å
300S95.5Very high94.4Very high5 Ų543.6 Ų43.64%0.03521%0.205CC..Hα-helixtrans-74.9-38.2178.6169.80000111.8D276 I277 D278 K297 R298 L302 K303 R304 Y331D276-S300 PolarHBondContact O-OG 2.78Å; I277-S300 WeakPolarHBondContact CA-OG 3.39Å; D278-S300 PolarHBondContact N-OG 2.69Å; K297-S300 PolarHBondContact O-N 3.47Å; R298-S300 PolarHBondContact O-N 2.89Å; S300-L302 VanDerWaalsContact C-N 3.29Å; S300-L302 PolarHBondContact O-N 3.05Å; S300-K303 PolarHBondContact O-N 3.18Å; S300-R304 WeakPolarHBondContact O-CB 3.48Å; S300-R304 PolarHBondContact O-N 2.96Å; S300-Y331 WeakPolarHBondContact OG-CE2 3.37Å; S300-Y331 PolarHBondContact OG-OH 2.92Å
301L96.3Very high94.1Very high0 Ų047.6 Ų47.60%022%0.221CC..Hα-helixtrans-62.4-35.6175.4-63.7170.9000112.4I236 I238 A296 K297 R298 G305 V306 I307 Y331 M361I236-L301 HydrophobicContact CB-CD1 4.06Å; I236-L301 HydrophobicContact CD1-CD1 3.71Å; I236-L301 HydrophobicContact CG1-CD1 4.49Å; I236-L301 HydrophobicContact CG2-CD1 3.75Å; I238-L301 HydrophobicContact CD1-CD2 3.77Å; A296-L301 HydrophobicContact CB-CD1 3.98Å; A296-L301 HydrophobicContact CB-CD2 3.91Å; A296-L301 HydrophobicContact CB-CG 4Å; K297-L301 PolarHBondContact O-N 3.24Å; R298-L301 PolarHBondContact O-N 2.99Å; L301-G305 PolarHBondContact O-N 2.81Å; L301-V306 HydrophobicContact CB-CB 4.28Å; L301-V306 HydrophobicContact CD2-CB 4.06Å; L301-V306 HydrophobicContact CD2-CG1 4.03Å; L301-V306 HydrophobicContact CD2-CG2 4.22Å; L301-V306 WeakPolarHBondContact O-CB 3.26Å; L301-V306 PolarHBondContact O-N 3Å; L301-I307 HydrophobicContact CB-CD1 3.68Å; L301-I307 HydrophobicContact CB-CG1 3.94Å; L301-I307 HydrophobicContact CD1-CD1 3.87Å; L301-I307 HydrophobicContact CG-CD1 4.43Å; L301-I307 PolarHBondContact O-N 3.13Å; L301-I307 VanDerWaalsContact O-N 3.14Å; L301-Y331 HydrophobicContact CD2-CD1 4.24Å; L301-Y331 HydrophobicContact CD2-CD2 4.24Å; L301-Y331 HydrophobicContact CD2-CE1 3.84Å; L301-Y331 HydrophobicContact CD2-CE2 3.84Å; L301-Y331 HydrophobicContact CD2-CG 4.43Å; L301-M361 HydrophobicContact CD1-CE 3.89Å; L301-M361 HydrophobicContact CD2-CE 4.41Å
302L94.7Very high93.5Very high51 Ų5152.7 Ų52.727%0.26726%0.258SS..Hα-helixtrans-69.1-48.2170.2-64.8156.2000111.5R298 S300 R304 G305 I307 D310R298-L302 HydrophobicContact CG-CD1 3.9Å; R298-L302 WeakPolarHBondContact O-CD1 3.44Å; R298-L302 VanDerWaalsContact O-CG 3.31Å; R298-L302 WeakPolarHBondContact O-CG 3.45Å; R298-L302 PolarHBondContact O-N 3.29Å; R298-L302 VanDerWaalsContact O-N 3.07Å; S300-L302 VanDerWaalsContact C-N 3.29Å; S300-L302 PolarHBondContact O-N 3.05Å; L302-R304 VanDerWaalsContact C-N 3.3Å; L302-R304 PolarHBondContact O-N 3.21Å; L302-G305 PolarHBondContact O-N 3.49Å; L302-I307 HydrophobicContact CD2-CB 3.96Å; L302-I307 HydrophobicContact CD2-CG2 3.59Å; L302-I307 HydrophobicContact CG-CB 4.38Å; L302-I307 HydrophobicContact CG-CG2 4.37Å; L302-D310 HydrophobicContact CD1-CB 4.25Å; L302-D310 WeakPolarHBondContact CD1-OD1 3.24Å; L302-D310 HydrophobicContact CD2-CB 3.93Å
303K95.2Very high92.9Very high139 Ų13955 Ų5560%0.60427%0.27SS*.Hα-helixtrans-59.3-39.3-179.7-173.7178.7178.7-175.30112.5D276 K299 S300 G305D276-K303 HydrophobicContact CB-CD 4.47Å; D276-K303 VanDerWaalsContact CG-CE 3.43Å; D276-K303 WeakPolarHBondContact OD1-CE 3.25Å; D276-K303 IonicContact OD1-NZ 3.81Å; D276-K303 PolarHBondContact OD1-NZ 3.3Å; D276-K303 WeakPolarHBondContact OD2-CE 3.49Å; D276-K303 IonicContact OD2-NZ 3.27Å; D276-K303 PolarHBondContact OD2-NZ 3.48Å; K299-K303 WeakPolarHBondContact O-CB 3.22Å; K299-K303 PolarHBondContact O-N 2.93Å; S300-K303 PolarHBondContact O-N 3.18Å; K303-G305 VanDerWaalsContact C-N 3.31Å
304R95.5Very high92.3Very high67 Ų6755.1 Ų55.125%0.25327%0.271SS..THydrogen-bonded Turntrans-83.53.9175.8-79.8-71.9-146.9121.8-1.7114T275 S300 L302 V306 Y331 D334T275-R304 VanDerWaalsContact O-CZ 3.25Å; T275-R304 PolarHBondContact O-NE 3.46Å; T275-R304 PolarHBondContact O-NH2 3.04Å; S300-R304 WeakPolarHBondContact O-CB 3.48Å; S300-R304 PolarHBondContact O-N 2.96Å; L302-R304 VanDerWaalsContact C-N 3.3Å; L302-R304 PolarHBondContact O-N 3.21Å; R304-V306 HydrophobicContact CB-CG2 4.16Å; R304-V306 PolarHBondContact O-N 2.84Å; R304-Y331 HydrophobicContact CB-CD2 3.68Å; R304-Y331 HydrophobicContact CB-CE2 4.02Å; R304-Y331 HydrophobicContact CG-CD2 3.79Å; R304-Y331 HydrophobicContact CG-CE2 3.96Å; R304-D334 IonicContact CZ-OD2 2.92Å; R304-D334 VanDerWaalsContact CZ-OD2 3.26Å; R304-D334 IonicContact NH1-OD2 3.89Å; R304-D334 PolarHBondContact NH1-OD2 3.44Å; R304-D334 IonicContact NH2-OD2 3Å; R304-D334 PolarHBondContact NH2-OD2 3.41Å
305G95.5Very high91.9Very high34 Ų3461.4 Ų61.435%0.35131%0.305SS..THydrogen-bonded Turntrans72.25.7177.100000116.1L301 L302 K303 I307 D324L301-G305 PolarHBondContact O-N 2.81Å; L302-G305 PolarHBondContact O-N 3.49Å; K303-G305 VanDerWaalsContact C-N 3.31Å; G305-I307 PolarHBondContact O-N 2.55Å; G305-D324 WeakPolarHBondContact O-CB 3.49Å
306V97.4Very high91.8Very high0 Ų066 Ų660%033%0.326CS..SBendtrans-63.7-33.2177.4-174.40000111.4L301 R304 V323 D324 A327 L328 Y331 M361L301-V306 HydrophobicContact CB-CB 4.28Å; L301-V306 HydrophobicContact CD2-CB 4.06Å; L301-V306 HydrophobicContact CD2-CG1 4.03Å; L301-V306 HydrophobicContact CD2-CG2 4.22Å; L301-V306 WeakPolarHBondContact O-CB 3.26Å; L301-V306 PolarHBondContact O-N 3Å; R304-V306 HydrophobicContact CB-CG2 4.16Å; R304-V306 PolarHBondContact O-N 2.84Å; V306-V323 CarbonylContact O-C 3.54Å; V306-V323 WeakPolarHBondContact O-CA 3.48Å; V306-D324 PolarHBondContact O-N 3.3Å; V306-A327 HydrophobicContact CG2-CB 4.16Å; V306-L328 HydrophobicContact CG1-CB 3.93Å; V306-L328 HydrophobicContact CG1-CD1 3.94Å; V306-Y331 HydrophobicContact CG2-CD2 3.66Å; V306-Y331 HydrophobicContact CG2-CE2 4.5Å; V306-Y331 HydrophobicContact CG2-CG 3.92Å; V306-M361 HydrophobicContact CG1-CE 4.17Å; V306-M361 HydrophobicContact CG1-SD 3.98Å
307I96.9Very high91.7Very high4 Ų466 Ų662%0.02133%0.325CS..BIsolated β-bridgetrans-113.2123.2173.2-66.1176.8000107.8I236 L301 L302 G305 Q309 L317 N322 M361I236-I307 HydrophobicContact CD1-CD1 4.22Å; L301-I307 HydrophobicContact CB-CD1 3.68Å; L301-I307 HydrophobicContact CB-CG1 3.94Å; L301-I307 HydrophobicContact CD1-CD1 3.87Å; L301-I307 HydrophobicContact CG-CD1 4.43Å; L301-I307 PolarHBondContact O-N 3.13Å; L301-I307 VanDerWaalsContact O-N 3.14Å; L302-I307 HydrophobicContact CD2-CB 3.96Å; L302-I307 HydrophobicContact CD2-CG2 3.59Å; L302-I307 HydrophobicContact CG-CB 4.38Å; L302-I307 HydrophobicContact CG-CG2 4.37Å; G305-I307 PolarHBondContact O-N 2.55Å; I307-Q309 WeakPolarHBondContact CG2-O 3.45Å; I307-L317 HydrophobicContact CD1-CD1 4.18Å; I307-L317 HydrophobicContact CD1-CG 4.11Å; I307-L317 HydrophobicContact CG2-CD1 3.7Å; I307-N322 WeakPolarHBondContact CG2-ND2 3.34Å; I307-M361 HydrophobicContact CD1-CE 4.31Å; I307-M361 HydrophobicContact CG1-CE 4.28Å
308K94Very high91.7Very high106 Ų10664.6 Ų64.646%0.46132%0.321SS..SBendtrans-79.4-37.6-173.9-64.1161.1-173.4155.30113.2A321 N322 V323K308-A321 PolarHBondContact NZ-O 2.66Å; K308-N322 WeakPolarHBondContact CB-O 3.47Å; K308-N322 WeakPolarHBondContact CD-O 3.38Å; K308-N322 VanDerWaalsContact CG-O 3.29Å; K308-N322 WeakPolarHBondContact CG-O 3.2Å; K308-N322 PolarHBondContact N-O 2.97Å; K308-V323 WeakPolarHBondContact CE-O 3.48Å; K308-V323 PolarHBondContact NZ-O 3.27Å
309Q93.8Very high91.8Very high113 Ų11363.2 Ų63.253%0.52832%0.322SS..SBendtrans-139.7144.7-177.6-64.2-176.9-10.400111.7I307 Y311 N322I307-Q309 WeakPolarHBondContact CG2-O 3.45Å; Q309-Y311 HydrophobicContact CB-CD2 4.24Å; Q309-Y311 HydrophobicContact CB-CE2 3.74Å; Q309-Y311 PolarHBondContact O-N 2.85Å; Q309-Y311 PolarHBondContact OE1-OH 2.81Å; Q309-N322 WeakPolarHBondContact CB-OD1 3.5Å; Q309-N322 PolarHBondContact N-OD1 2.87Å; Q309-N322 PolarHBondContact O-ND2 3.03Å; Q309-N322 PolarHBondContact O-OD1 2.81Å
310D94.1Very high91.8Very high88 Ų8860.8 Ų60.847%0.47132%0.324SS..  trans-92.766.3-166.2-164.745.4000114R298 L302R298-D310 IonicContact CZ-OD1 3.85Å; R298-D310 IonicContact CZ-OD2 3.68Å; R298-D310 IonicContact NE-OD1 3.73Å; R298-D310 PolarHBondContact NE-OD1 3.17Å; R298-D310 IonicContact NE-OD2 3.09Å; R298-D310 PolarHBondContact NE-OD2 3.14Å; R298-D310 PolarHBondContact NH2-O 3.26Å; R298-D310 IonicContact NH2-OD1 3.58Å; R298-D310 PolarHBondContact NH2-OD1 3Å; R298-D310 IonicContact NH2-OD2 2.71Å; R298-D310 PolarHBondContact NH2-OD2 3.27Å; L302-D310 HydrophobicContact CD1-CB 4.25Å; L302-D310 WeakPolarHBondContact CD1-OD1 3.24Å; L302-D310 HydrophobicContact CD2-CB 3.93Å
311Y89.9Confident91.7Very high86 Ų8664.5 Ų64.534%0.33736%0.355SS..  trans-63.5141.8-179.3-69.8-80.7000113.4R298 Q309 Q316 N322R298-Y311 PolarHBondContact NH1-O 3.33Å; R298-Y311 PolarHBondContact NH2-O 3.3Å; Q309-Y311 HydrophobicContact CB-CD2 4.24Å; Q309-Y311 HydrophobicContact CB-CE2 3.74Å; Q309-Y311 PolarHBondContact O-N 2.85Å; Q309-Y311 PolarHBondContact OE1-OH 2.81Å; Y311-Q316 HydrophobicContact CD1-CB 4.13Å; Y311-Q316 HydrophobicContact CD2-CB 4.42Å; Y311-Q316 HydrophobicContact CG-CB 3.89Å; Y311-N322 HydrophobicContact CE2-CB 4.44Å
312S83.2Confident91.7Very high114 Ų11465 Ų6580%0.79736%0.358SS*.SBendtrans-72.2-32.2175.950.60000112.8
313D83.3Confident91.7Very high49 Ų4963.5 Ų63.526%0.26235%0.35SS..SBendtrans-84144.6175.8173.3-125.3000112.4Q316 L317D313-Q316 HydrophobicContact CB-CB 4.27Å; D313-Q316 HydrophobicContact CB-CG 4.45Å; D313-Q316 WeakPolarHBondContact OD1-CG 3.26Å; D313-Q316 PolarHBondContact OD1-N 2.86Å; D313-Q316 VanDerWaalsContact OD1-N 3.16Å; D313-Q316 PolarHBondContact OD1-NE2 3.27Å; D313-L317 WeakPolarHBondContact O-CB 3.4Å; D313-L317 PolarHBondContact O-N 2.96Å
314A82.1Confident91.8Very high4 Ų459.5 Ų59.53%0.03334%0.336CS..Hα-helixtrans-78.9-40.2-172.600000113L234 Q316 L317 L318L234-A314 HydrophobicContact CD1-CB 4.46Å; A314-Q316 VanDerWaalsContact C-N 3.32Å; A314-Q316 PolarHBondContact O-N 2.67Å; A314-L317 PolarHBondContact O-N 3.18Å; A314-L318 PolarHBondContact O-N 3.32Å
315D84.2Confident91.8Very high133 Ų13359.8 Ų59.871%0.71134%0.34SS*.Hα-helixtrans-64.2-38.9176.5-79.5-42.6000111A319D315-A319 WeakPolarHBondContact O-CB 3.28Å; D315-A319 PolarHBondContact O-N 2.89Å; D315-A319 VanDerWaalsContact O-N 3.08Å
316Q89.6Confident91.8Very high100 Ų10065.3 Ų65.347%0.46736%0.356SS..Hα-helixtrans-69.4-42.8172.6-73.2166.566.300112.8Y311 D313 A314 L318 A319Y311-Q316 HydrophobicContact CD1-CB 4.13Å; Y311-Q316 HydrophobicContact CD2-CB 4.42Å; Y311-Q316 HydrophobicContact CG-CB 3.89Å; D313-Q316 HydrophobicContact CB-CB 4.27Å; D313-Q316 HydrophobicContact CB-CG 4.45Å; D313-Q316 WeakPolarHBondContact OD1-CG 3.26Å; D313-Q316 PolarHBondContact OD1-N 2.86Å; D313-Q316 VanDerWaalsContact OD1-N 3.16Å; D313-Q316 PolarHBondContact OD1-NE2 3.27Å; A314-Q316 VanDerWaalsContact C-N 3.32Å; A314-Q316 PolarHBondContact O-N 2.67Å; Q316-L318 VanDerWaalsContact C-N 3.29Å; Q316-L318 PolarHBondContact O-N 3.08Å; Q316-A319 WeakPolarHBondContact O-CB 3.43Å; Q316-A319 PolarHBondContact O-N 2.88Å
317L90.6Very high91.8Very high0 Ų066.1 Ų66.10%036%0.364CS..Hα-helixtrans-59.5-40.5179-17570.8000111.8L234 I236 R298 I307 D313 A314 N322L234-L317 HydrophobicContact CD1-CD2 4.49Å; L234-L317 HydrophobicContact CD2-CD2 4.06Å; I236-L317 HydrophobicContact CD1-CD2 4.02Å; R298-L317 HydrophobicContact CG-CD2 4.44Å; I307-L317 HydrophobicContact CD1-CD1 4.18Å; I307-L317 HydrophobicContact CD1-CG 4.11Å; I307-L317 HydrophobicContact CG2-CD1 3.7Å; D313-L317 WeakPolarHBondContact O-CB 3.4Å; D313-L317 PolarHBondContact O-N 2.96Å; A314-L317 PolarHBondContact O-N 3.18Å; L317-N322 PolarHBondContact O-ND2 3.41Å
318L91.4Very high91.8Very high29 Ų2966.2 Ų66.215%0.15236%0.364CS..THydrogen-bonded Turntrans-96.98.2-178.8-58-179.9000113.7I236 A314 Q316 M361 D363I236-L318 HydrophobicContact CD1-CD2 4.17Å; I236-L318 HydrophobicContact CG1-CD2 4.2Å; I236-L318 HydrophobicContact CG2-CD2 3.76Å; A314-L318 PolarHBondContact O-N 3.32Å; Q316-L318 VanDerWaalsContact C-N 3.29Å; Q316-L318 PolarHBondContact O-N 3.08Å; L318-M361 HydrophobicContact CD2-CE 3.77Å; L318-D363 HydrophobicContact CD1-CB 3.84Å
319A91.8Very high91.9Very high29 Ų2962 Ų6224%0.2435%0.348CS..  trans-61.5140.3179.100000111.4D315 Q316 A321 N322 V323D315-A319 WeakPolarHBondContact O-CB 3.28Å; D315-A319 PolarHBondContact O-N 2.89Å; D315-A319 VanDerWaalsContact O-N 3.08Å; Q316-A319 WeakPolarHBondContact O-CB 3.43Å; Q316-A319 PolarHBondContact O-N 2.88Å; A319-A321 PolarHBondContact O-N 3.32Å; A319-N322 PolarHBondContact O-N 3.03Å; A319-V323 PolarHBondContact O-N 3.07Å; A319-V323 VanDerWaalsContact O-N 3.09Å
320P92.1Very high92.1Very high126 Ų12661 Ų6182%0.81835%0.346SS*.THydrogen-bonded Turntrans-57.6-19.6-179.2-28.535.8000115.9
321A94.4Very high92.2Very high83 Ų8356.9 Ų56.969%0.68632%0.323SS*.THydrogen-bonded Turntrans-74.6-36.2172.100000112.6K308 A319K308-A321 PolarHBondContact NZ-O 2.66Å; A319-A321 PolarHBondContact O-N 3.32Å
322N95.9Very high92.6Very high10 Ų1052.8 Ų52.85%0.05331%0.307CS..THydrogen-bonded Turntrans-85.5-24.8-176.6-166.143.4000113.3I307 K308 Q309 Y311 L317 A319I307-N322 WeakPolarHBondContact CG2-ND2 3.34Å; K308-N322 WeakPolarHBondContact CB-O 3.47Å; K308-N322 WeakPolarHBondContact CD-O 3.38Å; K308-N322 VanDerWaalsContact CG-O 3.29Å; K308-N322 WeakPolarHBondContact CG-O 3.2Å; K308-N322 PolarHBondContact N-O 2.97Å; Q309-N322 WeakPolarHBondContact CB-OD1 3.5Å; Q309-N322 PolarHBondContact N-OD1 2.87Å; Q309-N322 PolarHBondContact O-ND2 3.03Å; Q309-N322 PolarHBondContact O-OD1 2.81Å; Y311-N322 HydrophobicContact CE2-CB 4.44Å; L317-N322 PolarHBondContact O-ND2 3.41Å; A319-N322 PolarHBondContact O-N 3.03Å
323V95.8Very high93.2Very high19 Ų1950.1 Ų50.112%0.11528%0.282CS..BIsolated β-bridgetrans-77.3135.7172.9177.50000110.2V306 K308 A319 L328 M361V306-V323 CarbonylContact O-C 3.54Å; V306-V323 WeakPolarHBondContact O-CA 3.48Å; K308-V323 WeakPolarHBondContact CE-O 3.48Å; K308-V323 PolarHBondContact NZ-O 3.27Å; A319-V323 PolarHBondContact O-N 3.07Å; A319-V323 VanDerWaalsContact O-N 3.09Å; V323-L328 HydrophobicContact CG1-CD2 4.22Å; V323-M361 HydrophobicContact CB-SD 4.36Å; V323-M361 HydrophobicContact CG1-SD 3.62Å; V323-M361 HydrophobicContact CG2-SD 3.73Å
324D96.8Very high93.8Very high56 Ų5649.8 Ų49.830%0.29928%0.281SS..  trans-93.7122163.4-165.2-71.7000110.2G305 V306 E326 A327 L328G305-D324 WeakPolarHBondContact O-CB 3.49Å; V306-D324 PolarHBondContact O-N 3.3Å; D324-E326 PolarHBondContact OD1-N 3.2Å; D324-A327 HydrophobicContact CB-CB 3.99Å; D324-A327 PolarHBondContact OD1-N 3.35Å; D324-L328 WeakPolarHBondContact O-CB 3.38Å; D324-L328 PolarHBondContact O-N 2.68Å
325H94.9Very high94.5Very high73 Ų7349.6 Ų49.634%0.33828%0.279SS..Hα-helixtrans-79.8-29.1-173.8-171.662.4000113C329H325-C329 PolarHBondContact O-N 3.08Å; H325-C329 PolarHBondContact O-SG 3.39Å
326E96Very high95Very high149 Ų14943.3 Ų43.370%0.69625%0.245SC*.Hα-helixtrans-74.8-45.4177.7-174.3167.3-167.700109.9D324 L328 C329 L330D324-E326 PolarHBondContact OD1-N 3.2Å; E326-L328 VanDerWaalsContact C-N 3.3Å; E326-L328 PolarHBondContact O-N 3.28Å; E326-C329 WeakPolarHBondContact O-CB 3.37Å; E326-C329 PolarHBondContact O-N 3.31Å; E326-C329 VanDerWaalsContact O-N 3.16Å; E326-L330 WeakPolarHBondContact O-CG 3.33Å; E326-L330 PolarHBondContact O-N 3.11Å
327A97.1Very high95.3Very high18 Ų1844.4 Ų44.415%0.14925%0.246CC..Hα-helixtrans-61-37.9171.300000112V306 D324 L330 Y331V306-A327 HydrophobicContact CG2-CB 4.16Å; D324-A327 HydrophobicContact CB-CB 3.99Å; D324-A327 PolarHBondContact OD1-N 3.35Å; A327-L330 PolarHBondContact O-N 2.87Å; A327-Y331 VanDerWaalsContact O-CB 3.28Å; A327-Y331 WeakPolarHBondContact O-CB 3.49Å; A327-Y331 PolarHBondContact O-N 3.16Å
328L97.3Very high95.4Very high5 Ų546.2 Ų46.23%0.02625%0.254CS..Hα-helixtrans-61.8-41.9173.5178.560.4000112.5I238 V306 V323 D324 E326 A332 V359 M361I238-L328 HydrophobicContact CD1-CD1 3.83Å; I238-L328 HydrophobicContact CG1-CD1 4.05Å; I238-L328 HydrophobicContact CG2-CD1 4.24Å; V306-L328 HydrophobicContact CG1-CB 3.93Å; V306-L328 HydrophobicContact CG1-CD1 3.94Å; V323-L328 HydrophobicContact CG1-CD2 4.22Å; D324-L328 WeakPolarHBondContact O-CB 3.38Å; D324-L328 PolarHBondContact O-N 2.68Å; E326-L328 VanDerWaalsContact C-N 3.3Å; E326-L328 PolarHBondContact O-N 3.28Å; L328-A332 WeakPolarHBondContact O-CB 3.45Å; L328-A332 PolarHBondContact O-N 3.34Å; L328-V359 HydrophobicContact CD1-CG2 4.15Å; L328-V359 HydrophobicContact CD2-CG1 4.17Å; L328-V359 HydrophobicContact CD2-CG2 4.18Å; L328-V359 HydrophobicContact CG-CG1 4.13Å; L328-V359 HydrophobicContact CG-CG2 3.82Å; L328-M361 HydrophobicContact CD1-CG 3.72Å; L328-M361 HydrophobicContact CD1-SD 3.92Å; L328-M361 HydrophobicContact CD2-CG 3.83Å; L328-M361 HydrophobicContact CD2-SD 4.07Å; L328-M361 HydrophobicContact CG-CG 4.45Å
329C96.6Very high95.5Very high18 Ų1845.4 Ų45.412%0.12225%0.251CS..Hα-helixtrans-62-47.5175.7-70.40000111H325 E326 A332 H333 F349H325-C329 PolarHBondContact O-N 3.08Å; H325-C329 PolarHBondContact O-SG 3.39Å; E326-C329 WeakPolarHBondContact O-CB 3.37Å; E326-C329 PolarHBondContact O-N 3.31Å; E326-C329 VanDerWaalsContact O-N 3.16Å; C329-A332 PolarHBondContact O-N 3.14Å; C329-H333 VanDerWaalsContact O-CB 3.24Å; C329-H333 WeakPolarHBondContact O-CB 3.42Å; C329-H333 PolarHBondContact O-N 3.42Å; C329-F349 HydrophobicContact CB-CE2 3.95Å; C329-F349 HydrophobicContact CB-CZ 4.14Å; C329-F349 WeakPolarHBondContact O-CZ 3.07Å
330L96.4Very high95.5Very high93 Ų9344.6 Ų44.649%0.48724%0.243SC..Hα-helixtrans-62.4-45.4177.8-66.8170.5000111.9E326 A327 A332 H333 D334E326-L330 WeakPolarHBondContact O-CG 3.33Å; E326-L330 PolarHBondContact O-N 3.11Å; A327-L330 PolarHBondContact O-N 2.87Å; L330-A332 PolarHBondContact O-N 3.38Å; L330-H333 PolarHBondContact O-N 2.62Å; L330-D334 WeakPolarHBondContact O-CB 3.29Å; L330-D334 PolarHBondContact O-N 3.01Å
331Y97.6Very high95.3Very high0 Ų040.7 Ų40.70%023%0.226CC..Hα-helixtrans-58-46.4177.3-167.8-80.7000112.2I238 I277 L279 A296 S300 L301 R304 V306 A327 A335I238-Y331 HydrophobicContact CD1-CD1 3.87Å; I238-Y331 HydrophobicContact CD1-CE1 3.94Å; I277-Y331 HydrophobicContact CB-CE2 4.46Å; I277-Y331 HydrophobicContact CD1-CD2 4.38Å; I277-Y331 HydrophobicContact CD1-CG 4.38Å; I277-Y331 WeakPolarHBondContact CD1-O 3.49Å; I277-Y331 HydrophobicContact CG1-CD2 4.04Å; I277-Y331 HydrophobicContact CG1-CE2 3.84Å; I277-Y331 HydrophobicContact CG1-CG 4.48Å; I277-Y331 HydrophobicContact CG2-CE1 3.98Å; I277-Y331 HydrophobicContact CG2-CE2 4.38Å; L279-Y331 HydrophobicContact CD2-CE1 4.08Å; A296-Y331 HydrophobicContact CB-CE1 4Å; S300-Y331 WeakPolarHBondContact OG-CE2 3.37Å; S300-Y331 PolarHBondContact OG-OH 2.92Å; L301-Y331 HydrophobicContact CD2-CD1 4.24Å; L301-Y331 HydrophobicContact CD2-CD2 4.24Å; L301-Y331 HydrophobicContact CD2-CE1 3.84Å; L301-Y331 HydrophobicContact CD2-CE2 3.84Å; L301-Y331 HydrophobicContact CD2-CG 4.43Å; R304-Y331 HydrophobicContact CB-CD2 3.68Å; R304-Y331 HydrophobicContact CB-CE2 4.02Å; R304-Y331 HydrophobicContact CG-CD2 3.79Å; R304-Y331 HydrophobicContact CG-CE2 3.96Å; V306-Y331 HydrophobicContact CG2-CD2 3.66Å; V306-Y331 HydrophobicContact CG2-CE2 4.5Å; V306-Y331 HydrophobicContact CG2-CG 3.92Å; A327-Y331 VanDerWaalsContact O-CB 3.28Å; A327-Y331 WeakPolarHBondContact O-CB 3.49Å; A327-Y331 PolarHBondContact O-N 3.16Å; Y331-A335 WeakPolarHBondContact O-CB 3.24Å; Y331-A335 PolarHBondContact O-N 3.03Å
332A97.3Very high95Very high0 Ų038.1 Ų38.10%021%0.207CC..Hα-helixtrans-71.4-36.4179.400000112.8I238 A240 L328 C329 L330 A336 F349 V359I238-A332 HydrophobicContact CG2-CB 4.22Å; A240-A332 HydrophobicContact CB-CB 4.01Å; L328-A332 WeakPolarHBondContact O-CB 3.45Å; L328-A332 PolarHBondContact O-N 3.34Å; C329-A332 PolarHBondContact O-N 3.14Å; L330-A332 PolarHBondContact O-N 3.38Å; A332-A336 VanDerWaalsContact O-CB 3.29Å; A332-A336 WeakPolarHBondContact O-CB 3.36Å; A332-A336 PolarHBondContact O-N 3.04Å; A332-A336 VanDerWaalsContact O-N 3.11Å; A332-F349 HydrophobicContact CB-CZ 4.39Å; A332-V359 HydrophobicContact CB-CG2 3.73Å
333H96.6Very high94.7Very high58 Ų5842.2 Ų42.227%0.26922%0.224SC..Hα-helixtrans-61.6-52.7173.7169-87.3000111.4C329 L330 A335 A336 Y337 F349C329-H333 VanDerWaalsContact O-CB 3.24Å; C329-H333 WeakPolarHBondContact O-CB 3.42Å; C329-H333 PolarHBondContact O-N 3.42Å; L330-H333 PolarHBondContact O-N 2.62Å; H333-A335 PolarHBondContact O-N 3.42Å; H333-A336 PolarHBondContact O-N 3.04Å; H333-A336 VanDerWaalsContact O-N 3.13Å; H333-Y337 WeakPolarHBondContact O-CB 3.33Å; H333-Y337 PolarHBondContact O-N 3.23Å; H333-F349 HydrophobicContact CB-CE2 4.41Å; H333-F349 HydrophobicContact CB-CZ 4.38Å
334D96Very high94.4Very high43 Ų4341.4 Ų41.423%0.2322%0.219CC..Hα-helixtrans-63.9-42-175.5-64.8-8.6000111.3I277 R304 L330 A336 Y337 F338I277-D334 HydrophobicContact CD1-CB 3.75Å; R304-D334 IonicContact CZ-OD2 2.92Å; R304-D334 VanDerWaalsContact CZ-OD2 3.26Å; R304-D334 IonicContact NH1-OD2 3.89Å; R304-D334 PolarHBondContact NH1-OD2 3.44Å; R304-D334 IonicContact NH2-OD2 3Å; R304-D334 PolarHBondContact NH2-OD2 3.41Å; L330-D334 WeakPolarHBondContact O-CB 3.29Å; L330-D334 PolarHBondContact O-N 3.01Å; D334-A336 PolarHBondContact O-N 2.93Å; D334-Y337 PolarHBondContact O-N 3.28Å; D334-F338 WeakPolarHBondContact O-CB 3.28Å; D334-F338 PolarHBondContact O-N 3.23Å
335A95.6Very high93.4Very high0 Ų042.2 Ų42.20%023%0.228CC..Hα-helixtrans-61.8-39.9173.900000112.6I277 L279 I282 M294 Y331 H333 S339I277-A335 HydrophobicContact CD1-CB 4.24Å; I277-A335 HydrophobicContact CG2-CB 4.37Å; L279-A335 HydrophobicContact CD1-CB 4.46Å; I282-A335 HydrophobicContact CD1-CB 4.17Å; M294-A335 HydrophobicContact CE-CB 3.84Å; M294-A335 HydrophobicContact SD-CB 3.75Å; Y331-A335 WeakPolarHBondContact O-CB 3.24Å; Y331-A335 PolarHBondContact O-N 3.03Å; H333-A335 PolarHBondContact O-N 3.42Å; A335-S339 WeakPolarHBondContact O-CB 3.39Å; A335-S339 PolarHBondContact O-N 2.82Å; A335-S339 PolarHBondContact O-OG 3.47Å
336A95.3Very high92.7Very high0 Ų044.7 Ų44.70%024%0.243CC..Hα-helixtrans-70.2-38.8176.600000112.9F242 F292 A332 H333 D334 S339 T340 L347F242-A336 HydrophobicContact CD2-CB 4.44Å; F242-A336 HydrophobicContact CE2-CB 3.53Å; F242-A336 HydrophobicContact CZ-CB 3.8Å; F292-A336 HydrophobicContact CD1-CB 3.89Å; F292-A336 HydrophobicContact CD2-CB 3.95Å; F292-A336 HydrophobicContact CE1-CB 3.66Å; F292-A336 HydrophobicContact CE2-CB 3.71Å; F292-A336 HydrophobicContact CG-CB 4.04Å; F292-A336 HydrophobicContact CZ-CB 3.56Å; A332-A336 VanDerWaalsContact O-CB 3.29Å; A332-A336 WeakPolarHBondContact O-CB 3.36Å; A332-A336 PolarHBondContact O-N 3.04Å; A332-A336 VanDerWaalsContact O-N 3.11Å; H333-A336 PolarHBondContact O-N 3.04Å; H333-A336 VanDerWaalsContact O-N 3.13Å; D334-A336 PolarHBondContact O-N 2.93Å; A336-S339 PolarHBondContact O-OG 3.41Å; A336-T340 PolarHBondContact O-N 2.83Å; A336-T340 PolarHBondContact O-OG1 3.19Å; A336-L347 HydrophobicContact CB-CD1 4.16Å
337Y94.9Very high92.4Very high124 Ų12438.3 Ų38.349%0.48621%0.214SC..Hα-helixtrans-66.4-49.7177.1-174.5-97.6000111.5H333 D334 T340 G341 G342 L347H333-Y337 WeakPolarHBondContact O-CB 3.33Å; H333-Y337 PolarHBondContact O-N 3.23Å; D334-Y337 PolarHBondContact O-N 3.28Å; Y337-T340 PolarHBondContact O-OG1 2.82Å; Y337-G341 PolarHBondContact O-N 2.88Å; Y337-G342 PolarHBondContact O-N 3.09Å; Y337-L347 HydrophobicContact CD2-CD1 4.17Å
338F94.4Very high92.3Very high37 Ų3742.3 Ų42.316%0.16223%0.23CC..Hα-helixtrans-62.9-49.7177.3-177-86.6000111.6F267 D270 L271 E274 T275 D334 T340 G341F267-F338 AromaticContact CD2-CE1 3.91Å; F267-F338 HydrophobicContact CD2-CE1 3.91Å; F267-F338 AromaticContact CE2-CD1 3.8Å; F267-F338 HydrophobicContact CE2-CD1 3.8Å; F267-F338 AromaticContact CE2-CE1 3.56Å; F267-F338 HydrophobicContact CE2-CE1 3.56Å; F267-F338 HydrophobicContact CZ-CD1 4.1Å; F267-F338 HydrophobicContact CZ-CE1 4.14Å; D270-F338 HydrophobicContact CB-CZ 3.94Å; L271-F338 HydrophobicContact CB-CD1 3.89Å; L271-F338 HydrophobicContact CB-CE1 3.61Å; L271-F338 HydrophobicContact CB-CZ 4.15Å; L271-F338 HydrophobicContact CD1-CB 3.78Å; L271-F338 HydrophobicContact CD1-CD1 3.41Å; L271-F338 VanDerWaalsContact CD1-CD1 3.41Å; L271-F338 HydrophobicContact CD1-CD2 4.37Å; L271-F338 HydrophobicContact CD1-CE1 4.07Å; L271-F338 HydrophobicContact CD1-CG 3.58Å; L271-F338 HydrophobicContact CG-CD1 4.19Å; L271-F338 HydrophobicContact CG-CE1 4.42Å; E274-F338 HydrophobicContact CB-CE2 4.15Å; E274-F338 HydrophobicContact CG-CE2 4.39Å; T275-F338 HydrophobicContact CG2-CB 4.48Å; T275-F338 HydrophobicContact CG2-CD2 4.12Å; D334-F338 WeakPolarHBondContact O-CB 3.28Å; D334-F338 PolarHBondContact O-N 3.23Å; F338-T340 PolarHBondContact O-N 2.77Å; F338-G341 WeakPolarHBondContact O-CA 2.99Å; F338-G341 PolarHBondContact O-N 2.93Å
339S92.1Very high92.3Very high13 Ų1343.8 Ų43.89%0.09124%0.236CC..Hα-helixtrans-64.5-25-175.760.70000114.3I256 F292 A335 A336I256-S339 WeakPolarHBondContact CD1-O 3.4Å; F292-S339 WeakPolarHBondContact CE1-OG 3.39Å; A335-S339 WeakPolarHBondContact O-CB 3.39Å; A335-S339 PolarHBondContact O-N 2.82Å; A335-S339 PolarHBondContact O-OG 3.47Å; A336-S339 PolarHBondContact O-OG 3.41Å
340T91.8Very high92.3Very high12 Ų1243.3 Ų43.37%0.07423%0.234CC..THydrogen-bonded Turntrans-92.9-1.2171.260.40000113.7V253 I256 Y284 F292 A336 Y337 F338 K343 L344V253-T340 HydrophobicContact CG1-CG2 3.96Å; I256-T340 HydrophobicContact CD1-CG2 4.49Å; Y284-T340 HydrophobicContact CD1-CG2 4.45Å; F292-T340 HydrophobicContact CE1-CG2 4.07Å; F292-T340 HydrophobicContact CZ-CG2 3.77Å; A336-T340 PolarHBondContact O-N 2.83Å; A336-T340 PolarHBondContact O-OG1 3.19Å; Y337-T340 PolarHBondContact O-OG1 2.82Å; F338-T340 PolarHBondContact O-N 2.77Å; T340-K343 WeakPolarHBondContact O-CB 3.24Å; T340-K343 PolarHBondContact O-N 2.92Å; T340-L344 HydrophobicContact CG2-CD1 3.83Å; T340-L344 HydrophobicContact CG2-CG 4.17Å
341G89.1Confident92.1Very high44 Ų4444.5 Ų44.545%0.45424%0.24SC..THydrogen-bonded Turntrans62.940.6-179.200000113Y337 F338 K343Y337-G341 PolarHBondContact O-N 2.88Å; F338-G341 WeakPolarHBondContact O-CA 2.99Å; F338-G341 PolarHBondContact O-N 2.93Å; G341-K343 WeakPolarHBondContact O-CE 3.3Å; G341-K343 WeakPolarHBondContact O-CG 3.48Å; G341-K343 PolarHBondContact O-N 3.49Å
342G88.1Confident91.8Very high29 Ų2945.9 Ų45.930%0.29925%0.247SC..THydrogen-bonded Turntrans66.116.8-179.500000115.3Y337Y337-G342 PolarHBondContact O-N 3.09Å
343K89.9Confident91.2Very high95 Ų9550.4 Ų50.441%0.41328%0.276SS..  trans-94.7-7.1-171.4-70.5151.4-166.2163.20114.5V253 T340 G341V253-K343 HydrophobicContact CG2-CB 3.95Å; V253-K343 WeakPolarHBondContact CG2-O 3.38Å; T340-K343 WeakPolarHBondContact O-CB 3.24Å; T340-K343 PolarHBondContact O-N 2.92Å; G341-K343 WeakPolarHBondContact O-CE 3.3Å; G341-K343 WeakPolarHBondContact O-CG 3.48Å; G341-K343 PolarHBondContact O-N 3.49Å
344L89.3Confident90.8Very high2 Ų251.3 Ų51.31%0.0129%0.294CS..SBendtrans-87.6114.1161.6-70.6177.6000108.4E250 V253 Y284 H290 F292 T340 L347E250-L344 HydrophobicContact CB-CD2 4.31Å; E250-L344 HydrophobicContact CG-CD2 4.18Å; V253-L344 HydrophobicContact CB-CD2 4.17Å; V253-L344 HydrophobicContact CG1-CD2 4.39Å; V253-L344 HydrophobicContact CG1-CG 4.34Å; V253-L344 HydrophobicContact CG2-CD2 3.75Å; V253-L344 HydrophobicContact CG2-CG 4.16Å; Y284-L344 HydrophobicContact CE2-CD1 4.18Å; H290-L344 HydrophobicContact CB-CD1 4.28Å; F292-L344 HydrophobicContact CE2-CD1 4.17Å; F292-L344 HydrophobicContact CZ-CD1 3.96Å; T340-L344 HydrophobicContact CG2-CD1 3.83Å; T340-L344 HydrophobicContact CG2-CG 4.17Å; L344-L347 HydrophobicContact CB-CD2 3.78Å; L344-L347 HydrophobicContact CB-CG 4.2Å; L344-L347 HydrophobicContact CD1-CD2 3.8Å; L344-L347 HydrophobicContact CG-CD2 4.45Å
345P74.9Confident90.5Very high74 Ų7451.6 Ų51.648%0.48131%0.307SS..SBendtrans-73141.3175.431.3-33.5000110.1E250E250-P345 HydrophobicContact CG-CG 4.32Å
346D80.7Confident90.3Very high124 Ų12456.3 Ų56.366%0.66333%0.329SS*.SBendtrans50.171.7167.9-162.96.9000113.5Q348D346-Q348 VanDerWaalsContact CG-NE2 3.29Å; D346-Q348 PolarHBondContact O-N 2.77Å; D346-Q348 VanDerWaalsContact OD1-CG 3.28Å; D346-Q348 WeakPolarHBondContact OD1-CG 3.43Å; D346-Q348 PolarHBondContact OD1-NE2 3.2Å; D346-Q348 PolarHBondContact OD2-NE2 2.94Å
347L90.3Very high90.4Very high16 Ų1658.3 Ų58.38%0.08434%0.342CS..  trans-70.163.9-178-78.9173.1000112.7F242 A336 Y337 L344F242-L347 HydrophobicContact CB-CD2 4.08Å; F242-L347 HydrophobicContact CD1-CB 3.98Å; F242-L347 HydrophobicContact CD1-CD2 4.16Å; F242-L347 VanDerWaalsContact CD1-O 3.32Å; F242-L347 WeakPolarHBondContact CD1-O 3.45Å; F242-L347 HydrophobicContact CD2-CD2 4.13Å; F242-L347 HydrophobicContact CE1-CB 4.2Å; F242-L347 HydrophobicContact CG-CD2 3.87Å; A336-L347 HydrophobicContact CB-CD1 4.16Å; Y337-L347 HydrophobicContact CD2-CD1 4.17Å; L344-L347 HydrophobicContact CB-CD2 3.78Å; L344-L347 HydrophobicContact CB-CG 4.2Å; L344-L347 HydrophobicContact CD1-CD2 3.8Å; L344-L347 HydrophobicContact CG-CD2 4.45Å
348Q95.1Very high90.5Very high102 Ų10253.3 Ų53.348%0.47732%0.324SS..PPolyproline II helixtrans-72.9127.3172.5-58-173.11200109.8F242 I243 D346 A350F242-Q348 CarbonylContact C-O 3.59Å; F242-Q348 VanDerWaalsContact CA-O 3.3Å; F242-Q348 WeakPolarHBondContact CA-O 3.45Å; F242-Q348 WeakPolarHBondContact CB-O 3.33Å; I243-Q348 HydrophobicContact CD1-CB 4.08Å; I243-Q348 PolarHBondContact N-O 2.89Å; D346-Q348 VanDerWaalsContact CG-NE2 3.29Å; D346-Q348 PolarHBondContact O-N 2.77Å; D346-Q348 VanDerWaalsContact OD1-CG 3.28Å; D346-Q348 WeakPolarHBondContact OD1-CG 3.43Å; D346-Q348 PolarHBondContact OD1-NE2 3.2Å; D346-Q348 PolarHBondContact OD2-NE2 2.94Å; Q348-A350 PolarHBondContact O-N 3.33Å
349F96.6Very high90.6Very high35 Ų3552 Ų5215%0.15432%0.319CS..BIsolated β-bridgetrans-60.4138174.6-75.2-85000111.1A240 F242 C329 A332 H333 P357 V359A240-F349 HydrophobicContact CB-CE1 4.06Å; F242-F349 AromaticContact CD1-CD1 3.97Å; F242-F349 HydrophobicContact CD1-CD1 3.97Å; F242-F349 HydrophobicContact CD1-CD2 4.41Å; F242-F349 HydrophobicContact CD1-CE1 4.14Å; F242-F349 HydrophobicContact CD1-CG 4.11Å; F242-F349 HydrophobicContact CD1-CZ 4.43Å; F242-F349 AromaticContact CE1-CD1 3.72Å; F242-F349 HydrophobicContact CE1-CD1 3.72Å; F242-F349 HydrophobicContact CE1-CD2 4.09Å; F242-F349 AromaticContact CE1-CE1 3.41Å; F242-F349 HydrophobicContact CE1-CE1 3.41Å; F242-F349 VanDerWaalsContact CE1-CE1 3.41Å; F242-F349 AromaticContact CE1-CE2 3.8Å; F242-F349 HydrophobicContact CE1-CE2 3.8Å; F242-F349 HydrophobicContact CE1-CG 4.05Å; F242-F349 AromaticContact CE1-CZ 3.46Å; F242-F349 HydrophobicContact CE1-CZ 3.46Å; F242-F349 VanDerWaalsContact CE1-CZ 3.46Å; F242-F349 HydrophobicContact CZ-CD1 4.3Å; F242-F349 AromaticContact CZ-CE1 3.67Å; F242-F349 HydrophobicContact CZ-CE1 3.67Å; F242-F349 AromaticContact CZ-CZ 3.85Å; F242-F349 HydrophobicContact CZ-CZ 3.85Å; C329-F349 HydrophobicContact CB-CE2 3.95Å; C329-F349 HydrophobicContact CB-CZ 4.14Å; C329-F349 WeakPolarHBondContact O-CZ 3.07Å; A332-F349 HydrophobicContact CB-CZ 4.39Å; H333-F349 HydrophobicContact CB-CE2 4.41Å; H333-F349 HydrophobicContact CB-CZ 4.38Å; F349-P357 HydrophobicContact CB-CB 3.79Å; F349-P357 HydrophobicContact CD1-CB 4.22Å; F349-P357 HydrophobicContact CD2-CB 4.15Å; F349-P357 HydrophobicContact CG-CB 3.8Å; F349-V359 HydrophobicContact CD1-CB 4.42Å; F349-V359 HydrophobicContact CE1-CB 3.9Å; F349-V359 HydrophobicContact CE1-CG1 4.44Å
350A95.6Very high90.6Very high9 Ų952.8 Ų52.87%0.07433%0.327CS..PPolyproline II helixtrans-63.4157.1161.200000109.1N241 I243 T289 Q348 D358N241-A350 HydrophobicContact CB-CB 4.06Å; N241-A350 WeakPolarHBondContact O-CB 3.5Å; N241-A350 PolarHBondContact O-N 3.43Å; I243-A350 HydrophobicContact CG1-CB 4.47Å; T289-A350 HydrophobicContact CG2-CB 3.95Å; Q348-A350 PolarHBondContact O-N 3.33Å; A350-D358 HydrophobicContact CB-CB 4.37Å; A350-D358 WeakPolarHBondContact O-CB 3.44Å; A350-D358 PolarHBondContact O-N 2.94Å
351L93.8Very high90.7Very high117 Ų11753.7 Ų53.761%0.61333%0.33SS*.BIsolated β-bridgetrans-92132.5178.8-60.2-176000111.4Q356L351-Q356 WeakPolarHBondContact CA-O 3.23Å
352N89.9Confident90.7Very high30 Ų3054.1 Ų54.116%0.1632%0.32CS..  trans-78.2175.1171.382.724.8000110.6A354 G355 Q356 P357 D358N352-A354 PolarHBondContact O-N 2.96Å; N352-A354 VanDerWaalsContact O-N 3.09Å; N352-A354 WeakPolarHBondContact OD1-CA 3.49Å; N352-A354 WeakPolarHBondContact OD1-CB 3.43Å; N352-A354 PolarHBondContact OD1-N 3.26Å; N352-G355 PolarHBondContact O-N 2.84Å; N352-G355 PolarHBondContact OD1-N 3.33Å; N352-Q356 VanDerWaalsContact CG-O 3.28Å; N352-Q356 PolarHBondContact N-O 3.34Å; N352-Q356 PolarHBondContact OD1-N 2.92Å; N352-P357 PolarHBondContact ND2-O 2.84Å; N352-D358 HydrophobicContact CB-CB 3.97Å
353P84.4Confident90.6Very high94 Ų9455.1 Ų55.161%0.6132%0.318SS*.THydrogen-bonded Turntrans-68.7-10.2-173-21.136000115.3T120T120-P353 HydrophobicContact CG2-CG 4.48Å
354A88Confident90.3Very high77 Ų7751.6 Ų51.664%0.63630%0.303SS*.THydrogen-bonded Turntrans-96.33.6172.200000112.9N352 Q356N352-A354 PolarHBondContact O-N 2.96Å; N352-A354 VanDerWaalsContact O-N 3.09Å; N352-A354 WeakPolarHBondContact OD1-CA 3.49Å; N352-A354 WeakPolarHBondContact OD1-CB 3.43Å; N352-A354 PolarHBondContact OD1-N 3.26Å; A354-Q356 VanDerWaalsContact C-N 3.29Å
355G89.8Confident89.5Confident50 Ų5051.7 Ų51.752%0.51530%0.304SS..SBendtrans77.511.2-176.900000114.5N352N352-G355 PolarHBondContact O-N 2.84Å; N352-G355 PolarHBondContact OD1-N 3.33Å
356Q93.1Very high89.3Confident99 Ų9949 Ų4946%0.46329%0.287SS..SBendtrans-94.3164.9176.5-66172.8-44.600110.9L351 N352 A354 D358L351-Q356 WeakPolarHBondContact CA-O 3.23Å; N352-Q356 VanDerWaalsContact CG-O 3.28Å; N352-Q356 PolarHBondContact N-O 3.34Å; N352-Q356 PolarHBondContact OD1-N 2.92Å; A354-Q356 VanDerWaalsContact C-N 3.29Å; Q356-D358 PolarHBondContact O-N 3.32Å
357P96.4Very high88.9Confident42 Ų4246.3 Ų46.327%0.27327%0.271SS..BIsolated β-bridgetrans-48.7133.6169.2-29.837.8000112.8F349 N352 V359F349-P357 HydrophobicContact CB-CB 3.79Å; F349-P357 HydrophobicContact CD1-CB 4.22Å; F349-P357 HydrophobicContact CD2-CB 4.15Å; F349-P357 HydrophobicContact CG-CB 3.8Å; N352-P357 PolarHBondContact ND2-O 2.84Å; P357-V359 HydrophobicContact CB-CG1 4.48Å; P357-V359 PolarHBondContact O-N 3.32Å
358D96.6Very high88.4Confident19 Ų1948.8 Ų48.810%0.10228%0.282CS..SBendtrans-83.961.9-178.1-162.216.1000112.2N122 A240 N241 A350 N352 Q356N122-D358 WeakPolarHBondContact CB-OD2 3.49Å; N122-D358 PolarHBondContact ND2-OD2 2.69Å; A240-D358 CarbonylContact C-O 3.57Å; A240-D358 WeakPolarHBondContact CA-O 3.47Å; N241-D358 HydrophobicContact CB-CB 4.08Å; N241-D358 PolarHBondContact N-O 2.91Å; N241-D358 PolarHBondContact ND2-O 3.34Å; N241-D358 PolarHBondContact ND2-OD2 2.81Å; A350-D358 HydrophobicContact CB-CB 4.37Å; A350-D358 WeakPolarHBondContact O-CB 3.44Å; A350-D358 PolarHBondContact O-N 2.94Å; N352-D358 HydrophobicContact CB-CB 3.97Å; Q356-D358 PolarHBondContact O-N 3.32Å
359V96.3Very high88Confident8 Ų846.8 Ų46.85%0.04827%0.27CS..EExtended strand (participates in β ladder)trans-118.4138.5170.167.80000110.4I238 T239 A240 L328 A332 F349 P357I238-V359 HydrophobicContact CG2-CG2 4.12Å; T239-V359 CarbonylContact O-C 3.57Å; T239-V359 VanDerWaalsContact O-CA 3.3Å; T239-V359 WeakPolarHBondContact O-CA 3.37Å; A240-V359 HydrophobicContact CB-CB 4.5Å; A240-V359 HydrophobicContact CB-CG2 4.22Å; L328-V359 HydrophobicContact CD1-CG2 4.15Å; L328-V359 HydrophobicContact CD2-CG1 4.17Å; L328-V359 HydrophobicContact CD2-CG2 4.18Å; L328-V359 HydrophobicContact CG-CG1 4.13Å; L328-V359 HydrophobicContact CG-CG2 3.82Å; A332-V359 HydrophobicContact CB-CG2 3.73Å; F349-V359 HydrophobicContact CD1-CB 4.42Å; F349-V359 HydrophobicContact CE1-CB 3.9Å; F349-V359 HydrophobicContact CE1-CG1 4.44Å; P357-V359 HydrophobicContact CB-CG1 4.48Å; P357-V359 PolarHBondContact O-N 3.32Å
360A94Very high87.8Confident31 Ų3145.2 Ų45.226%0.25626%0.263SS..EExtended strand (participates in β ladder)trans-149.5147.3-178.900000112.5I238 T239 F362I238-A360 WeakPolarHBondContact CA-O 3.37Å; T239-A360 PolarHBondContact N-O 3.28Å; T239-A360 PolarHBondContact O-N 2.79Å; A360-F362 HydrophobicContact CB-CE2 3.58Å; A360-F362 HydrophobicContact CB-CZ 3.64Å
361M93Very high87.5Confident30 Ų3047.4 Ų47.415%0.14827%0.272CS..EExtended strand (participates in β ladder)trans-100.8147.6172.6-68.5174.487.100111.1I236 G237 I238 L301 V306 I307 L318 V323 L328I236-M361 HydrophobicContact CG2-CE 3.72Å; G237-M361 CarbonylContact O-C 3.58Å; G237-M361 VanDerWaalsContact O-CA 3.3Å; G237-M361 WeakPolarHBondContact O-CA 3.5Å; I238-M361 HydrophobicContact CG1-CG 3.9Å; L301-M361 HydrophobicContact CD1-CE 3.89Å; L301-M361 HydrophobicContact CD2-CE 4.41Å; V306-M361 HydrophobicContact CG1-CE 4.17Å; V306-M361 HydrophobicContact CG1-SD 3.98Å; I307-M361 HydrophobicContact CD1-CE 4.31Å; I307-M361 HydrophobicContact CG1-CE 4.28Å; L318-M361 HydrophobicContact CD2-CE 3.77Å; V323-M361 HydrophobicContact CB-SD 4.36Å; V323-M361 HydrophobicContact CG1-SD 3.62Å; V323-M361 HydrophobicContact CG2-SD 3.73Å; L328-M361 HydrophobicContact CD1-CG 3.72Å; L328-M361 HydrophobicContact CD1-SD 3.92Å; L328-M361 HydrophobicContact CD2-CG 3.83Å; L328-M361 HydrophobicContact CD2-SD 4.07Å; L328-M361 HydrophobicContact CG-CG 4.45Å
362F89.2Confident87.5Confident54 Ų5444 Ų4424%0.23725%0.253CS..EExtended strand (participates in β ladder)trans-142147179.9-58-83000110.3G237 T239 A360 F364 W398G237-F362 PolarHBondContact N-O 3.49Å; G237-F362 PolarHBondContact O-N 3.32Å; T239-F362 HydrophobicContact CG2-CD2 4.22Å; T239-F362 HydrophobicContact CG2-CE2 3.96Å; T239-F362 WeakPolarHBondContact OG1-CE2 3.5Å; A360-F362 HydrophobicContact CB-CE2 3.58Å; A360-F362 HydrophobicContact CB-CZ 3.64Å; F362-F364 HydrophobicContact CB-CD1 4.44Å; F362-F364 HydrophobicContact CB-CE1 4.12Å; F362-W398 HydrophobicContact CB-CH2 4.42Å; F362-W398 AromaticContact CD1-CH2 3.6Å; F362-W398 HydrophobicContact CD1-CH2 3.6Å; F362-W398 HydrophobicContact CD1-CZ3 4.24Å; F362-W398 AromaticContact CD2-CH2 3.86Å; F362-W398 HydrophobicContact CD2-CH2 3.86Å; F362-W398 AromaticContact CD2-CZ3 3.61Å; F362-W398 HydrophobicContact CD2-CZ3 3.61Å; F362-W398 AromaticContact CE1-CH2 3.73Å; F362-W398 HydrophobicContact CE1-CH2 3.73Å; F362-W398 HydrophobicContact CE1-CZ3 4.35Å; F362-W398 AromaticContact CE2-CH2 3.97Å; F362-W398 HydrophobicContact CE2-CH2 3.97Å; F362-W398 AromaticContact CE2-CZ3 3.74Å; F362-W398 HydrophobicContact CE2-CZ3 3.74Å; F362-W398 AromaticContact CG-CH2 3.67Å; F362-W398 HydrophobicContact CG-CH2 3.67Å; F362-W398 AromaticContact CG-CZ3 3.87Å; F362-W398 HydrophobicContact CG-CZ3 3.87Å; F362-W398 AromaticContact CZ-CH2 3.91Å; F362-W398 HydrophobicContact CZ-CH2 3.91Å; F362-W398 HydrophobicContact CZ-CZ3 4.11Å
363D86.1Confident87.8Confident50 Ų5042.6 Ų42.627%0.26725%0.245SC..EExtended strand (participates in β ladder)trans-78.5129.4164.8-164.87.8000109.6L318 T365L318-D363 HydrophobicContact CD1-CB 3.84Å; D363-T365 WeakPolarHBondContact OD1-CB 3.49Å; D363-T365 PolarHBondContact OD1-N 3.28Å; D363-T365 PolarHBondContact OD1-OG1 3.1Å
364F82.8Confident88.4Confident21 Ų2138.1 Ų38.19%0.09222%0.216CC..  trans-112.13.6169.3-68.8-22.8000111.8A235 V293 F362 F397 W398 P399A235-F364 HydrophobicContact CB-CB 3.96Å; A235-F364 WeakPolarHBondContact O-CA 3.49Å; A235-F364 PolarHBondContact O-N 3.27Å; V293-F364 HydrophobicContact CG2-CE2 4.39Å; V293-F364 HydrophobicContact CG2-CZ 4.35Å; F362-F364 HydrophobicContact CB-CD1 4.44Å; F362-F364 HydrophobicContact CB-CE1 4.12Å; F364-F397 HydrophobicContact CB-CD2 4.24Å; F364-F397 HydrophobicContact CB-CE2 3.91Å; F364-F397 HydrophobicContact CD2-CD2 4.27Å; F364-F397 AromaticContact CD2-CE2 3.66Å; F364-F397 HydrophobicContact CD2-CE2 3.66Å; F364-F397 HydrophobicContact CE2-CE2 4.29Å; F364-F397 HydrophobicContact CG-CD2 4.17Å; F364-F397 AromaticContact CG-CE2 3.89Å; F364-F397 HydrophobicContact CG-CE2 3.89Å; F364-W398 AromaticContact CE1-CD2 3.83Å; F364-W398 HydrophobicContact CE1-CD2 3.83Å; F364-W398 AromaticContact CE1-CE3 3.79Å; F364-W398 HydrophobicContact CE1-CE3 3.79Å; F364-W398 HydrophobicContact CE1-CG 4.29Å; F364-W398 HydrophobicContact CE1-CH2 4.46Å; F364-W398 HydrophobicContact CE1-CZ3 4.12Å; F364-W398 HydrophobicContact CZ-CB 4.38Å; F364-W398 AromaticContact CZ-CD2 4Å; F364-W398 HydrophobicContact CZ-CD2 4Å; F364-W398 AromaticContact CZ-CE3 3.67Å; F364-W398 HydrophobicContact CZ-CE3 3.67Å; F364-W398 HydrophobicContact CZ-CG 4.35Å; F364-W398 HydrophobicContact CZ-CZ3 4.2Å; F364-P399 HydrophobicContact CE2-CG 4.27Å
365T73.8Confident88.8Confident4 Ų434.9 Ų34.93%0.02519%0.188CC..SBendtrans-67.7-40-180-480000112.1R231 G232 L234 A235 D363R231-T365 CarbonylContact C-O 3.59Å; R231-T365 WeakPolarHBondContact CA-O 3.2Å; R231-T365 HydrophobicContact CG-CG2 3.79Å; G232-T365 PolarHBondContact N-O 3.16Å; G232-T365 WeakPolarHBondContact O-CG2 3.42Å; L234-T365 WeakPolarHBondContact CA-OG1 3.29Å; L234-T365 WeakPolarHBondContact CD1-OG1 3.09Å; A235-T365 PolarHBondContact N-OG1 2.96Å; A235-T365 PolarHBondContact O-N 3.3Å; D363-T365 WeakPolarHBondContact OD1-CB 3.49Å; D363-T365 PolarHBondContact OD1-N 3.28Å; D363-T365 PolarHBondContact OD1-OG1 3.1Å
366C69.9Low89.2Confident18 Ų1832.6 Ų32.612%0.12216%0.164CC..EExtended strand (participates in β ladder)trans-105.4119.8-175.5-59.80000110.4E229E229-C366 HydrophobicContact CG-CB 4.03Å; E229-C366 PolarHBondContact OE1-SG 2.75Å
367M73.2Confident89.3Confident67 Ų6728.5 Ų28.533%0.3314%0.144SC..EExtended strand (participates in β ladder)trans-102.5116.5170.3-73.1177.8-78.400110L230 F397L230-M367 PolarHBondContact N-O 2.95Å; L230-M367 PolarHBondContact O-N 2.88Å; M367-F397 HydrophobicContact SD-CB 4.45Å
368H79.7Confident89.2Confident68 Ų6827.8 Ų27.832%0.31514%0.137SC..EExtended strand (participates in β ladder)trans-86.1131.8177.7-60.885.4000112.1E395H368-E395 HydrophobicContact CB-CB 4.35Å; H368-E395 WeakPolarHBondContact CB-OE2 3.4Å; H368-E395 IonicContact CE1-OE2 2.64Å; H368-E395 IonicContact CG-OE2 2.84Å; H368-E395 PolarHBondContact N-OE2 3.14Å; H368-E395 IonicContact ND1-OE2 3.99Å; H368-E395 PolarHBondContact ND1-OE2 3.29Å; H368-E395 VanDerWaalsContact O-CB 3.3Å; H368-E395 WeakPolarHBondContact O-CB 3.4Å; H368-E395 PolarHBondContact O-N 2.91Å
369R86.2Confident89.1Confident60 Ų6027.2 Ų27.223%0.22613%0.134CC..EExtended strand (participates in β ladder)trans-129.5131.9172.4-173.8-176.8176.3156.410110.3H227 K228 V394 Y438 S442H227-R369 CarbonylContact C-O 3.47Å; H227-R369 VanDerWaalsContact CA-O 3.3Å; H227-R369 WeakPolarHBondContact CA-O 3.1Å; K228-R369 PolarHBondContact N-O 3.45Å; K228-R369 PolarHBondContact O-N 3.01Å; R369-V394 HydrophobicContact CG-CG2 4.42Å; R369-Y438 WeakPolarHBondContact CG-OH 3.41Å; R369-Y438 PolarHBondContact NE-OH 2.84Å; R369-Y438 PolarHBondContact NH2-O 3.31Å; R369-S442 VanDerWaalsContact NH1-CB 3.31Å; R369-S442 PolarHBondContact NH1-OG 2.92Å
370A91.8Very high88.8Confident1 Ų134.4 Ų34.41%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-65.4143.817100000110.7K226 H372 L388 L393 Y438K226-A370 CarbonylContact O-C 3.57Å; K226-A370 WeakPolarHBondContact O-CA 3.4Å; A370-H372 WeakPolarHBondContact CB-O 3.49Å; A370-H372 PolarHBondContact O-N 3.4Å; A370-L388 HydrophobicContact CB-CD1 3.63Å; A370-L393 HydrophobicContact CB-CD1 4.41Å; A370-L393 PolarHBondContact N-O 2.97Å; A370-Y438 PolarHBondContact O-OH 2.96Å
371E90.1Very high88.6Confident56 Ų5635.5 Ų35.526%0.26217%0.174SC..SBendtrans-64.2-30.7174.1-68.2-153.7106.800112.1K226 K228K226-E371 HydrophobicContact CB-CB 4.43Å; K226-E371 HydrophobicContact CB-CG 3.86Å; K226-E371 WeakPolarHBondContact CB-OE2 3.4Å; K226-E371 WeakPolarHBondContact CD-OE2 3.31Å; K226-E371 PolarHBondContact O-N 3.27Å; K228-E371 HydrophobicContact CD-CG 4.21Å; K228-E371 WeakPolarHBondContact CE-OE1 3.43Å; K228-E371 HydrophobicContact CG-CG 4.2Å; K228-E371 IonicContact NZ-OE1 2.68Å; K228-E371 PolarHBondContact NZ-OE1 3.31Å
372H93.4Very high88.7Confident45 Ų4538.6 Ų38.621%0.20819%0.187CC..  trans-141.9150.5-173.5-64.3-62.4000111.1F225 A370 E435 H479 L480F225-H372 WeakPolarHBondContact CD1-O 3.45Å; A370-H372 WeakPolarHBondContact CB-O 3.49Å; A370-H372 PolarHBondContact O-N 3.4Å; H372-E435 VanDerWaalsContact CA-OE2 3.3Å; H372-E435 WeakPolarHBondContact CA-OE2 3.45Å; H372-E435 WeakPolarHBondContact CB-OE2 3.36Å; H372-E435 IonicContact CE1-OE2 3.27Å; H372-E435 IonicContact CG-OE2 2.81Å; H372-E435 IonicContact ND1-OE2 3.33Å; H372-E435 PolarHBondContact ND1-OE2 3.47Å; H372-H479 AromaticContact CD2-NE2 3.86Å; H372-H479 AromaticContact CE1-NE2 3.6Å; H372-H479 AromaticContact NE2-CE1 3.9Å; H372-H479 AromaticContact NE2-NE2 3.05Å; H372-H479 PolarHBondContact NE2-NE2 2.84Å; H372-L480 HydrophobicContact CB-CD1 4.12Å; H372-L480 HydrophobicContact CB-CD2 4.14Å; H372-L480 VanDerWaalsContact CD2-CD2 3.5Å; H372-L480 WeakPolarHBondContact CD2-CD2 3.43Å
373A96.9Very high89Confident0 Ų039.6 Ų39.60%019%0.191CC..SBendtrans-93.6-21.8179.900000113.9A387 L388 L393 R434 E435 Y438A373-A387 WeakPolarHBondContact O-CA 3.26Å; A373-L388 PolarHBondContact O-N 2.99Å; A373-L393 VanDerWaalsContact CA-CD1 3.46Å; A373-L393 HydrophobicContact CB-CD1 3.5Å; A373-R434 HydrophobicContact CB-CG 4.04Å; A373-E435 WeakPolarHBondContact CA-OE1 3.34Å; A373-E435 WeakPolarHBondContact CB-OE1 3.46Å; A373-E435 PolarHBondContact N-OE1 3.49Å; A373-Y438 HydrophobicContact CB-CD1 3.93Å; A373-Y438 HydrophobicContact CB-CD2 3.99Å; A373-Y438 HydrophobicContact CB-CG 3.64Å
374S97Very high89.5Confident0 Ų037.2 Ų37.20%018%0.178CC..EExtended strand (participates in β ladder)trans-146.2160.7174.464.10000114I386 R434 E435S374-I386 CarbonylContact C-O 3.54Å; S374-I386 WeakPolarHBondContact CA-O 3.47Å; S374-I386 WeakPolarHBondContact CB-O 3.48Å; S374-R434 WeakPolarHBondContact OG-CG 3.05Å; S374-E435 PolarHBondContact N-OE1 3.04Å; S374-E435 VanDerWaalsContact N-OE1 3.16Å
375L96.4Very high90.3Very high10 Ų1036.3 Ų36.35%0.05217%0.174CC..EExtended strand (participates in β ladder)trans-148.1162.8166.26782.1000109.7F225 R377 I386 L480F225-L375 HydrophobicContact CD1-CD2 4.4Å; F225-L375 HydrophobicContact CD2-CD2 3.84Å; F225-L375 HydrophobicContact CE1-CD2 4.15Å; F225-L375 HydrophobicContact CE1-CG 4.34Å; F225-L375 HydrophobicContact CE2-CD2 3.53Å; F225-L375 HydrophobicContact CE2-CG 3.81Å; F225-L375 HydrophobicContact CG-CD2 4.27Å; F225-L375 HydrophobicContact CZ-CB 4.38Å; F225-L375 HydrophobicContact CZ-CD2 3.71Å; F225-L375 HydrophobicContact CZ-CG 3.67Å; L375-R377 HydrophobicContact CD1-CG 3.69Å; L375-I386 HydrophobicContact CD1-CB 4.16Å; L375-I386 HydrophobicContact CD1-CD1 3.96Å; L375-I386 HydrophobicContact CD1-CG1 4.19Å; L375-I386 HydrophobicContact CG-CB 4.34Å; L375-I386 PolarHBondContact N-O 2.77Å; L375-I386 PolarHBondContact O-N 2.87Å; L375-I386 VanDerWaalsContact O-O 3.1Å; L375-L480 CarbonylContact C-O 3.58Å; L375-L480 WeakPolarHBondContact CA-O 3.36Å; L375-L480 HydrophobicContact CB-CB 4.17Å; L375-L480 WeakPolarHBondContact CB-O 3.4Å
376V97.2Very high91.5Very high1 Ų136.1 Ų36.11%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-119.5133.5173.2173.20000109.5L384 L385 W421 I431 L480 Y481 D482V376-L384 WeakPolarHBondContact CA-O 3.4Å; V376-L385 HydrophobicContact CG2-CD1 3.92Å; V376-W421 HydrophobicContact CG1-CH2 4.11Å; V376-W421 HydrophobicContact CG1-CZ3 4.23Å; V376-W421 HydrophobicContact CG2-CH2 4.37Å; V376-W421 HydrophobicContact CG2-CZ3 3.85Å; V376-I431 HydrophobicContact CB-CD1 4.17Å; V376-I431 HydrophobicContact CG2-CD1 3.8Å; V376-I431 HydrophobicContact CG2-CG1 4.09Å; V376-L480 PolarHBondContact N-O 3.39Å; V376-Y481 HydrophobicContact CB-CD2 3.79Å; V376-Y481 HydrophobicContact CB-CE2 3.97Å; V376-Y481 HydrophobicContact CG1-CD2 3.87Å; V376-Y481 HydrophobicContact CG1-CE2 3.52Å; V376-Y481 WeakPolarHBondContact O-CA 3.3Å; V376-D482 PolarHBondContact O-N 3Å
377R95.8Very high92.8Very high13 Ų1335.3 Ų35.35%0.04917%0.168CC..EExtended strand (participates in β ladder)trans-106.9134.4169.7-60-171.6178.4-154.2-2.5110.2W193 E223 L375 K383 L384 I386 D482W193-R377 HydrophobicContact CH2-CB 3.71Å; W193-R377 HydrophobicContact CH2-CG 4.49Å; W193-R377 HydrophobicContact CZ2-CB 3.65Å; E223-R377 VanDerWaalsContact C-NH2 3.3Å; E223-R377 PolarHBondContact O-NH2 3.16Å; E223-R377 IonicContact OE2-CZ 2.7Å; E223-R377 IonicContact OE2-NH1 3.07Å; E223-R377 PolarHBondContact OE2-NH1 2.83Å; E223-R377 IonicContact OE2-NH2 3.79Å; E223-R377 PolarHBondContact OE2-NH2 3.29Å; L375-R377 HydrophobicContact CD1-CG 3.69Å; R377-K383 CarbonylContact O-C 3.56Å; R377-K383 WeakPolarHBondContact O-CA 3.48Å; R377-L384 PolarHBondContact N-O 3.37Å; R377-L384 PolarHBondContact O-N 2.94Å; R377-I386 HydrophobicContact CG-CD1 4.15Å; R377-D482 HydrophobicContact CG-CB 4.24Å
378E94.8Very high94Very high28 Ų2832.1 Ų32.113%0.13115%0.152CC..EExtended strand (participates in β ladder)trans-121.1130.9171.5-179.4156.6-155.800111.3G381 K383 Y481 D482 E483 K484E378-G381 WeakPolarHBondContact OE1-CA 3.45Å; E378-K383 HydrophobicContact CB-CG 4.2Å; E378-K383 HydrophobicContact CG-CG 3.97Å; E378-K383 WeakPolarHBondContact OE1-CE 3.31Å; E378-K383 IonicContact OE1-NZ 3.96Å; E378-K383 WeakPolarHBondContact OE2-CE 3.44Å; E378-K383 IonicContact OE2-NZ 2.7Å; E378-Y481 HydrophobicContact CB-CE1 4.15Å; E378-Y481 WeakPolarHBondContact OE2-CE1 3.19Å; E378-Y481 PolarHBondContact OE2-OH 3.45Å; E378-D482 PolarHBondContact N-O 3.4Å; E378-E483 HydrophobicContact CB-CG 4.35Å; E378-E483 HydrophobicContact CG-CG 4.43Å; E378-K484 PolarHBondContact O-N 3.39Å
379R93.8Very high94.9Very high6 Ų628.9 Ų28.92%0.02314%0.137CC..EExtended strand (participates in β ladder)trans-142.4126.4176.9-63.2-63.6-177.8-89.1-8.2108.9E186 P187 W193 G381 K382 D482 K484E186-R379 VanDerWaalsContact CD-NE 3.28Å; E186-R379 HydrophobicContact CG-CG 4.35Å; E186-R379 IonicContact OE1-CZ 3.38Å; E186-R379 IonicContact OE1-NE 2.63Å; E186-R379 PolarHBondContact OE1-NE 2.95Å; E186-R379 IonicContact OE1-NH2 2.72Å; E186-R379 PolarHBondContact OE1-NH2 2.77Å; E186-R379 WeakPolarHBondContact OE2-CD 3.48Å; E186-R379 IonicContact OE2-NE 3.6Å; E186-R379 PolarHBondContact OE2-NE 3Å; P187-R379 HydrophobicContact CG-CB 3.52Å; P187-R379 WeakPolarHBondContact CG-O 3.33Å; W193-R379 HydrophobicContact CH2-CB 4.38Å; W193-R379 HydrophobicContact CH2-CG 3.49Å; W193-R379 VanDerWaalsContact CH2-CG 3.49Å; W193-R379 HydrophobicContact CZ2-CB 3.91Å; W193-R379 HydrophobicContact CZ2-CG 3.42Å; W193-R379 VanDerWaalsContact CZ2-CG 3.42Å; R379-G381 PolarHBondContact O-N 3.4Å; R379-G381 VanDerWaalsContact O-N 3.12Å; R379-K382 PolarHBondContact N-O 3.44Å; R379-K382 WeakPolarHBondContact O-CB 3.41Å; R379-K382 PolarHBondContact O-N 3.19Å; R379-D482 IonicContact CZ-OD1 3.21Å; R379-D482 IonicContact CZ-OD2 2.72Å; R379-D482 PolarHBondContact NH1-O 2.88Å; R379-D482 IonicContact NH1-OD1 3.43Å; R379-D482 PolarHBondContact NH1-OD1 3.09Å; R379-D482 IonicContact NH1-OD2 3.46Å; R379-D482 PolarHBondContact NH1-OD2 2.88Å; R379-D482 IonicContact NH2-OD1 3.45Å; R379-D482 PolarHBondContact NH2-OD1 2.95Å; R379-D482 IonicContact NH2-OD2 2.74Å; R379-D482 PolarHBondContact NH2-OD2 2.93Å; R379-K484 VanDerWaalsContact NH2-CE 3.3Å
380R90.1Very high95.3Very high160 Ų16026.3 Ų26.360%0.60413%0.13SC*.THydrogen-bonded Turntrans52.933.2176.8-44.8-176.4-165.2-148.84.6113.9P187 K382P187-R380 WeakPolarHBondContact O-CD 3.39Å; P187-R380 PolarHBondContact O-NE 2.89Å; R380-K382 PolarHBondContact O-N 3.35Å
381G89.7Confident95.3Very high54 Ų5429 Ų2956%0.55714%0.144SC*.THydrogen-bonded Turntrans74.71.3-175.600000115.5E378 R379E378-G381 WeakPolarHBondContact OE1-CA 3.45Å; R379-G381 PolarHBondContact O-N 3.4Å; R379-G381 VanDerWaalsContact O-N 3.12Å
382K94.3Very high95.5Very high95 Ų9526.4 Ų26.441%0.41313%0.132SC..EExtended strand (participates in β ladder)trans-96.8123.1172.2-57.5-63.9-174.1176.20108.8P187 W193 R379 R380P187-K382 HydrophobicContact CB-CB 3.91Å; P187-K382 HydrophobicContact CB-CG 3.97Å; P187-K382 HydrophobicContact CG-CB 3.85Å; P187-K382 HydrophobicContact CG-CG 4.35Å; W193-K382 PolarHBondContact NE1-O 2.92Å; W193-K382 VanDerWaalsContact NE1-O 3.09Å; R379-K382 PolarHBondContact N-O 3.44Å; R379-K382 WeakPolarHBondContact O-CB 3.41Å; R379-K382 PolarHBondContact O-N 3.19Å; R380-K382 PolarHBondContact O-N 3.35Å
383K95.9Very high95.5Very high75 Ų7524.3 Ų24.333%0.32612%0.122SC..EExtended strand (participates in β ladder)trans-105.9150.2-173.6-57.1173.4-176.2178.10110.1R377 E378 W421 H427 Y481R377-K383 CarbonylContact O-C 3.56Å; R377-K383 WeakPolarHBondContact O-CA 3.48Å; E378-K383 HydrophobicContact CB-CG 4.2Å; E378-K383 HydrophobicContact CG-CG 3.97Å; E378-K383 WeakPolarHBondContact OE1-CE 3.31Å; E378-K383 IonicContact OE1-NZ 3.96Å; E378-K383 WeakPolarHBondContact OE2-CE 3.44Å; E378-K383 IonicContact OE2-NZ 2.7Å; K383-W421 HydrophobicContact CB-CH2 3.86Å; K383-W421 HydrophobicContact CB-CZ2 4.23Å; K383-H427 WeakPolarHBondContact CD-CE1 3.36Å; K383-Y481 WeakPolarHBondContact CE-OH 3.4Å
384L97.9Very high95.2Very high0 Ų025.3 Ų25.30%013%0.128CC..EExtended strand (participates in β ladder)trans-137.3115.4177.7175.661.9000109.2L184 W193 F209 D210 F212 V376 R377 I386L184-L384 HydrophobicContact CD1-CD2 3.57Å; L184-L384 HydrophobicContact CD2-CD2 3.84Å; L184-L384 HydrophobicContact CG-CD2 4.36Å; W193-L384 HydrophobicContact CB-CD2 4.25Å; W193-L384 HydrophobicContact CD2-CB 3.91Å; W193-L384 HydrophobicContact CD2-CD2 3.72Å; W193-L384 HydrophobicContact CD2-CG 4.43Å; W193-L384 HydrophobicContact CE3-CD2 3.8Å; W193-L384 HydrophobicContact CG-CB 3.88Å; W193-L384 HydrophobicContact CG-CD2 3.97Å; W193-L384 HydrophobicContact CG-CG 4.39Å; W193-L384 HydrophobicContact CZ2-CB 4.26Å; W193-L384 HydrophobicContact CZ3-CD2 4.33Å; F209-L384 HydrophobicContact CD2-CD1 3.65Å; F209-L384 HydrophobicContact CE2-CD1 3.88Å; F209-L384 HydrophobicContact CE2-CD2 4.22Å; D210-L384 WeakPolarHBondContact O-CA 3.18Å; F212-L384 HydrophobicContact CB-CD1 3.88Å; V376-L384 WeakPolarHBondContact CA-O 3.4Å; R377-L384 PolarHBondContact N-O 3.37Å; R377-L384 PolarHBondContact O-N 2.94Å; L384-I386 HydrophobicContact CD2-CD1 3.95Å; L384-I386 HydrophobicContact CD2-CG1 3.96Å; L384-I386 HydrophobicContact CG-CD1 4.33Å; L384-I386 HydrophobicContact CG-CG1 3.81Å
385L98.4Very high94.6Very high1 Ų128 Ų281%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-77.3126.4165.9174.661.1000108.9D210 V211 F212 V376 T417 V418 W421D210-L385 PolarHBondContact O-N 2.79Å; V211-L385 CarbonylContact C-O 3.55Å; V211-L385 WeakPolarHBondContact CA-O 3.37Å; V211-L385 HydrophobicContact CG2-CB 4.45Å; F212-L385 PolarHBondContact N-O 2.79Å; V376-L385 HydrophobicContact CG2-CD1 3.92Å; L385-T417 HydrophobicContact CD2-CG2 4.35Å; L385-V418 HydrophobicContact CD2-CG2 4.03Å; L385-W421 HydrophobicContact CB-CD2 3.96Å; L385-W421 HydrophobicContact CB-CE3 4.04Å; L385-W421 HydrophobicContact CB-CH2 4.09Å; L385-W421 HydrophobicContact CB-CZ2 4.02Å; L385-W421 HydrophobicContact CB-CZ3 4.1Å; L385-W421 HydrophobicContact CD2-CB 3.93Å; L385-W421 HydrophobicContact CD2-CD2 4.04Å; L385-W421 HydrophobicContact CD2-CE3 4.26Å; L385-W421 HydrophobicContact CD2-CG 3.92Å
386I98.4Very high94.1Very high0 Ų028.3 Ų28.30%014%0.143CC..EExtended strand (participates in β ladder)trans-117.5130.3173.2-48.4-176.9000109.2L184 F212 P222 F225 S374 L375 R377 L384L184-I386 HydrophobicContact CD1-CD1 3.82Å; F212-I386 HydrophobicContact CB-CG1 4.47Å; F212-I386 HydrophobicContact CD1-CD1 4.39Å; F212-I386 HydrophobicContact CD1-CG1 4.34Å; F212-I386 HydrophobicContact CD1-CG2 3.76Å; F212-I386 HydrophobicContact CE1-CG2 4.43Å; F212-I386 VanDerWaalsContact O-CA 3.31Å; F212-I386 WeakPolarHBondContact O-CA 3.47Å; P222-I386 HydrophobicContact CG-CG2 4.42Å; F225-I386 HydrophobicContact CE2-CB 4.25Å; F225-I386 HydrophobicContact CE2-CG2 3.65Å; F225-I386 HydrophobicContact CZ-CB 4.38Å; F225-I386 HydrophobicContact CZ-CG2 4.06Å; S374-I386 CarbonylContact C-O 3.54Å; S374-I386 WeakPolarHBondContact CA-O 3.47Å; S374-I386 WeakPolarHBondContact CB-O 3.48Å; L375-I386 HydrophobicContact CD1-CB 4.16Å; L375-I386 HydrophobicContact CD1-CD1 3.96Å; L375-I386 HydrophobicContact CD1-CG1 4.19Å; L375-I386 HydrophobicContact CG-CB 4.34Å; L375-I386 PolarHBondContact N-O 2.77Å; L375-I386 PolarHBondContact O-N 2.87Å; L375-I386 VanDerWaalsContact O-O 3.1Å; R377-I386 HydrophobicContact CG-CD1 4.15Å; L384-I386 HydrophobicContact CD2-CD1 3.95Å; L384-I386 HydrophobicContact CD2-CG1 3.96Å; L384-I386 HydrophobicContact CG-CD1 4.33Å; L384-I386 HydrophobicContact CG-CG1 3.81Å
387A98.3Very high93.2Very high1 Ų130.4 Ų30.41%0.00815%0.152CC..EExtended strand (participates in β ladder)trans-137.5154.717600000112.5F212 I213 S214 A373 T414F212-A387 PolarHBondContact O-N 3.39Å; F212-A387 VanDerWaalsContact O-N 3.11Å; I213-A387 HydrophobicContact CD1-CB 4.1Å; S214-A387 PolarHBondContact N-O 3.01Å; A373-A387 WeakPolarHBondContact O-CA 3.26Å; A387-T414 HydrophobicContact CB-CG2 3.81Å
388L98.1Very high92.4Very high0 Ų034.2 Ų34.20%017%0.167CC..EExtended strand (participates in β ladder)trans-108.8142179.6-48.2-176.2000111.4S214 V221 P222 F225 A370 A373 L393S214-L388 WeakPolarHBondContact O-CA 3.43Å; V221-L388 HydrophobicContact CG1-CD1 3.52Å; V221-L388 HydrophobicContact CG1-CD2 3.63Å; V221-L388 HydrophobicContact CG1-CG 4.23Å; P222-L388 HydrophobicContact CG-CD2 4.41Å; F225-L388 HydrophobicContact CB-CD1 4.28Å; F225-L388 HydrophobicContact CD1-CD1 3.52Å; F225-L388 HydrophobicContact CD1-CD2 4.32Å; F225-L388 HydrophobicContact CD1-CG 3.87Å; F225-L388 HydrophobicContact CD2-CD1 4.4Å; F225-L388 HydrophobicContact CD2-CD2 3.96Å; F225-L388 HydrophobicContact CD2-CG 4.41Å; F225-L388 HydrophobicContact CE1-CD1 3.89Å; F225-L388 HydrophobicContact CE1-CD2 4.18Å; F225-L388 HydrophobicContact CE1-CG 3.71Å; F225-L388 HydrophobicContact CE2-CD2 3.82Å; F225-L388 HydrophobicContact CE2-CG 4.27Å; F225-L388 HydrophobicContact CG-CD1 3.8Å; F225-L388 HydrophobicContact CG-CD2 4.2Å; F225-L388 HydrophobicContact CG-CG 4.22Å; F225-L388 HydrophobicContact CZ-CD1 4.47Å; F225-L388 HydrophobicContact CZ-CD2 3.92Å; F225-L388 HydrophobicContact CZ-CG 3.92Å; A370-L388 HydrophobicContact CB-CD1 3.63Å; A373-L388 PolarHBondContact O-N 2.99Å; L388-L393 HydrophobicContact CB-CB 3.88Å; L388-L393 HydrophobicContact CB-CD1 3.86Å; L388-L393 HydrophobicContact CB-CG 4.44Å; L388-L393 HydrophobicContact CD1-CD1 4.49Å
389V97.6Very high91.3Very high1 Ų133.3 Ų33.31%0.00616%0.163CC..  trans-141139.2179.6-1760000111.6C95 I213 S214 A215 C392 A410 S411 T414C95-V389 HydrophobicContact CB-CG1 3.9Å; I213-V389 HydrophobicContact CG2-CB 4.42Å; I213-V389 HydrophobicContact CG2-CG2 3.76Å; S214-V389 PolarHBondContact O-N 3.21Å; A215-V389 WeakPolarHBondContact CA-O 3.42Å; V389-C392 PolarHBondContact O-SG 3.44Å; V389-A410 HydrophobicContact CG1-CB 4.15Å; V389-S411 WeakPolarHBondContact CG1-OG 3.14Å; V389-T414 HydrophobicContact CG2-CG2 3.89Å; V389-T414 WeakPolarHBondContact CG2-OG1 3.33Å
390G95.4Very high90.3Very high6 Ų634.4 Ų34.46%0.06217%0.169CC..G310 helixtrans74.6-149.1-179.500000112.7C392 L393 V394G390-C392 PolarHBondContact O-N 3.3Å; G390-L393 WeakPolarHBondContact O-CA 3.46Å; G390-L393 WeakPolarHBondContact O-CB 3.49Å; G390-L393 PolarHBondContact O-N 3.32Å; G390-V394 PolarHBondContact O-N 3.06Å
391D92.6Very high89.9Confident57 Ų5727.1 Ų27.131%0.30514%0.144SC..G310 helixtrans-60.6-21.8-165.7-28.4-26.1000114.4L393 V394D391-L393 VanDerWaalsContact C-N 3.31Å; D391-V394 WeakPolarHBondContact CA-O 3.49Å
392C93.1Very high89.8Confident2 Ų225 Ų251%0.01412%0.12CC..G310 helixtrans-76-15.7173.654.30000114.3S214 G217 F220 V221 H227 V389 G390S214-C392 PolarHBondContact O-SG 2.86Å; G217-C392 WeakPolarHBondContact O-CB 3.48Å; F220-C392 WeakPolarHBondContact O-CB 3.44Å; V221-C392 HydrophobicContact CG2-CB 3.74Å; H227-C392 PolarHBondContact NE2-O 2.89Å; V389-C392 PolarHBondContact O-SG 3.44Å; G390-C392 PolarHBondContact O-N 3.3Å
393L94.9Very high89.6Confident1 Ų121.2 Ų21.21%0.00511%0.108CC..THydrogen-bonded Turntrans-95.6-47.3177.4177.773.8000111.4A370 A373 L388 G390 D391 A410 Y438 L441A370-L393 HydrophobicContact CB-CD1 4.41Å; A370-L393 PolarHBondContact N-O 2.97Å; A373-L393 VanDerWaalsContact CA-CD1 3.46Å; A373-L393 HydrophobicContact CB-CD1 3.5Å; L388-L393 HydrophobicContact CB-CB 3.88Å; L388-L393 HydrophobicContact CB-CD1 3.86Å; L388-L393 HydrophobicContact CB-CG 4.44Å; L388-L393 HydrophobicContact CD1-CD1 4.49Å; G390-L393 WeakPolarHBondContact O-CA 3.46Å; G390-L393 WeakPolarHBondContact O-CB 3.49Å; G390-L393 PolarHBondContact O-N 3.32Å; D391-L393 VanDerWaalsContact C-N 3.31Å; L393-A410 HydrophobicContact CD2-CB 3.66Å; L393-Y438 HydrophobicContact CD1-CD2 4.02Å; L393-Y438 HydrophobicContact CD1-CE1 4.43Å; L393-Y438 HydrophobicContact CD1-CE2 3.52Å; L393-Y438 HydrophobicContact CD2-CD2 4.07Å; L393-Y438 HydrophobicContact CD2-CE2 3.85Å; L393-Y438 HydrophobicContact CG-CD2 4.19Å; L393-Y438 HydrophobicContact CG-CE2 3.52Å; L393-Y438 PolarHBondContact O-OH 3Å; L393-L441 HydrophobicContact CD2-CD2 3.58Å; L393-L441 HydrophobicContact CG-CD2 4.49Å
394V89.9Confident89.7Confident21 Ų2118 Ų1813%0.12710%0.095CC..BIsolated β-bridgetrans-144.9118.7172.6-171.30000107.4R369 G390 D391 Y438 L441R369-V394 HydrophobicContact CG-CG2 4.42Å; G390-V394 PolarHBondContact O-N 3.06Å; D391-V394 WeakPolarHBondContact CA-O 3.49Å; V394-Y438 HydrophobicContact CG2-CE2 3.72Å; V394-L441 HydrophobicContact CG2-CD2 3.99Å
395E84.8Confident89.6Confident57 Ų5718 Ų1827%0.26610%0.095SC..  trans-70.6127.4173.8-171.8156.3-131.100110.4H368H368-E395 HydrophobicContact CB-CB 4.35Å; H368-E395 WeakPolarHBondContact CB-OE2 3.4Å; H368-E395 IonicContact CE1-OE2 2.64Å; H368-E395 IonicContact CG-OE2 2.84Å; H368-E395 PolarHBondContact N-OE2 3.14Å; H368-E395 IonicContact ND1-OE2 3.99Å; H368-E395 PolarHBondContact ND1-OE2 3.29Å; H368-E395 VanDerWaalsContact O-CB 3.3Å; H368-E395 WeakPolarHBondContact O-CB 3.4Å; H368-E395 PolarHBondContact O-N 2.91Å
396P84.3Confident89.4Confident16 Ų1620 Ų2010%0.10410%0.103CC..  trans-87.4135.6-179.632.3-31.8000111.5W398 G403P396-W398 PolarHBondContact O-N 2.76Å; P396-W398 PolarHBondContact O-NE1 3.3Å; P396-G403 VanDerWaalsContact CB-CA 3.45Å
397F79Confident89.4Confident44 Ų4420 Ų2019%0.19310%0.103CC..  trans-75.7111.1163.8-176.2-139.5000108.9F364 M367 P399 L400 W1008F364-F397 HydrophobicContact CB-CD2 4.24Å; F364-F397 HydrophobicContact CB-CE2 3.91Å; F364-F397 HydrophobicContact CD2-CD2 4.27Å; F364-F397 AromaticContact CD2-CE2 3.66Å; F364-F397 HydrophobicContact CD2-CE2 3.66Å; F364-F397 HydrophobicContact CE2-CE2 4.29Å; F364-F397 HydrophobicContact CG-CD2 4.17Å; F364-F397 AromaticContact CG-CE2 3.89Å; F364-F397 HydrophobicContact CG-CE2 3.89Å; M367-F397 HydrophobicContact SD-CB 4.45Å; F397-P399 HydrophobicContact CD2-CG 4.43Å; F397-P399 HydrophobicContact CE1-CG 4.48Å; F397-P399 HydrophobicContact CE2-CG 3.93Å; F397-P399 HydrophobicContact CZ-CB 4.49Å; F397-P399 HydrophobicContact CZ-CG 3.95Å; F397-L400 HydrophobicContact CB-CD1 4.36Å; F397-L400 HydrophobicContact CD1-CD1 3.75Å; F397-L400 HydrophobicContact CD1-CD2 4.41Å; F397-L400 HydrophobicContact CD1-CG 3.64Å; F397-L400 HydrophobicContact CE1-CG 4.29Å; F397-L400 HydrophobicContact CG-CG 4.46Å; F397-L400 PolarHBondContact O-N 3.14Å; F397-W1008 AromaticContact CE1-CH2 3.59Å; F397-W1008 HydrophobicContact CE1-CH2 3.59Å; F397-W1008 AromaticContact CE1-CZ3 3.95Å; F397-W1008 HydrophobicContact CE1-CZ3 3.95Å; F397-W1008 AromaticContact CZ-CH2 3.92Å; F397-W1008 HydrophobicContact CZ-CH2 3.92Å
398W80Confident89.4Confident94 Ų9420 Ų2036%0.35610%0.103SC..G310 helixtrans-62.5-38.5-165.6-54.1-13.4000115.3T239 F362 F364 P396 L400 G401T239-W398 HydrophobicContact CG2-CE3 4.07Å; T239-W398 HydrophobicContact CG2-CZ3 3.84Å; F362-W398 HydrophobicContact CB-CH2 4.42Å; F362-W398 AromaticContact CD1-CH2 3.6Å; F362-W398 HydrophobicContact CD1-CH2 3.6Å; F362-W398 HydrophobicContact CD1-CZ3 4.24Å; F362-W398 AromaticContact CD2-CH2 3.86Å; F362-W398 HydrophobicContact CD2-CH2 3.86Å; F362-W398 AromaticContact CD2-CZ3 3.61Å; F362-W398 HydrophobicContact CD2-CZ3 3.61Å; F362-W398 AromaticContact CE1-CH2 3.73Å; F362-W398 HydrophobicContact CE1-CH2 3.73Å; F362-W398 HydrophobicContact CE1-CZ3 4.35Å; F362-W398 AromaticContact CE2-CH2 3.97Å; F362-W398 HydrophobicContact CE2-CH2 3.97Å; F362-W398 AromaticContact CE2-CZ3 3.74Å; F362-W398 HydrophobicContact CE2-CZ3 3.74Å; F362-W398 AromaticContact CG-CH2 3.67Å; F362-W398 HydrophobicContact CG-CH2 3.67Å; F362-W398 AromaticContact CG-CZ3 3.87Å; F362-W398 HydrophobicContact CG-CZ3 3.87Å; F362-W398 AromaticContact CZ-CH2 3.91Å; F362-W398 HydrophobicContact CZ-CH2 3.91Å; F362-W398 HydrophobicContact CZ-CZ3 4.11Å; F364-W398 AromaticContact CE1-CD2 3.83Å; F364-W398 HydrophobicContact CE1-CD2 3.83Å; F364-W398 AromaticContact CE1-CE3 3.79Å; F364-W398 HydrophobicContact CE1-CE3 3.79Å; F364-W398 HydrophobicContact CE1-CG 4.29Å; F364-W398 HydrophobicContact CE1-CH2 4.46Å; F364-W398 HydrophobicContact CE1-CZ3 4.12Å; F364-W398 HydrophobicContact CZ-CB 4.38Å; F364-W398 AromaticContact CZ-CD2 4Å; F364-W398 HydrophobicContact CZ-CD2 4Å; F364-W398 AromaticContact CZ-CE3 3.67Å; F364-W398 HydrophobicContact CZ-CE3 3.67Å; F364-W398 HydrophobicContact CZ-CG 4.35Å; F364-W398 HydrophobicContact CZ-CZ3 4.2Å; P396-W398 PolarHBondContact O-N 2.76Å; P396-W398 PolarHBondContact O-NE1 3.3Å; W398-L400 PolarHBondContact O-N 3.46Å; W398-L400 VanDerWaalsContact O-N 3.12Å; W398-G401 PolarHBondContact O-N 3.3Å
399P71.6Confident89.4Confident8 Ų820 Ų205%0.05210%0.103CC..G310 helixtrans-62.3-18.3179.2-25.236.7000114.7V283 F364 F397 W1008V283-P399 HydrophobicContact CG2-CB 4.45Å; F364-P399 HydrophobicContact CE2-CG 4.27Å; F397-P399 HydrophobicContact CD2-CG 4.43Å; F397-P399 HydrophobicContact CE1-CG 4.48Å; F397-P399 HydrophobicContact CE2-CG 3.93Å; F397-P399 HydrophobicContact CZ-CB 4.49Å; F397-P399 HydrophobicContact CZ-CG 3.95Å; P399-W1008 HydrophobicContact CB-CH2 3.61Å; P399-W1008 HydrophobicContact CB-CZ2 3.37Å; P399-W1008 HydrophobicContact CG-CH2 4.35Å; P399-W1008 HydrophobicContact CG-CZ2 4.26Å
400L71.8Confident89.5Confident29 Ų2920 Ų2015%0.15210%0.103CC..G310 helixtrans-86.6-2.5174.2-54.8-178.4000113.6F397 W398 T402 W1008 L1010F397-L400 HydrophobicContact CB-CD1 4.36Å; F397-L400 HydrophobicContact CD1-CD1 3.75Å; F397-L400 HydrophobicContact CD1-CD2 4.41Å; F397-L400 HydrophobicContact CD1-CG 3.64Å; F397-L400 HydrophobicContact CE1-CG 4.29Å; F397-L400 HydrophobicContact CG-CG 4.46Å; F397-L400 PolarHBondContact O-N 3.14Å; W398-L400 PolarHBondContact O-N 3.46Å; W398-L400 VanDerWaalsContact O-N 3.12Å; L400-T402 HydrophobicContact CB-CG2 3.79Å; L400-T402 PolarHBondContact O-N 2.88Å; L400-W1008 HydrophobicContact CD2-CE3 3.8Å; L400-W1008 HydrophobicContact CD2-CH2 4.28Å; L400-W1008 HydrophobicContact CD2-CZ3 3.48Å; L400-W1008 VanDerWaalsContact CD2-CZ3 3.48Å; L400-W1008 HydrophobicContact CG-CZ3 4.47Å; L400-L1010 WeakPolarHBondContact CD1-O 3.43Å
401G82.3Confident89.6Confident8 Ų819.7 Ų19.78%0.08210%0.1CC..THydrogen-bonded Turntrans63.68.7-179.700000116.1W398 G403W398-G401 PolarHBondContact O-N 3.3Å; G401-G403 VanDerWaalsContact C-N 3.26Å; G401-G403 PolarHBondContact O-N 3.4Å
402T86.7Confident89.9Confident8 Ų817 Ų175%0.0499%0.085CC..Hα-helixtrans-67.9-17.8-16956.80000115.3W128 L400 R406W128-T402 HydrophobicContact CZ2-CG2 4.18Å; L400-T402 HydrophobicContact CB-CG2 3.79Å; L400-T402 PolarHBondContact O-N 2.88Å; T402-R406 WeakPolarHBondContact O-CB 3.21Å; T402-R406 WeakPolarHBondContact O-CG 3.39Å; T402-R406 PolarHBondContact O-N 3.37Å
403G91.1Very high90.2Very high16 Ų1616.9 Ų16.917%0.1659%0.085CC..Hα-helixtrans-60.5-56.8-166.200000115.3P396 G401 G407P396-G403 VanDerWaalsContact CB-CA 3.45Å; G401-G403 VanDerWaalsContact C-N 3.26Å; G401-G403 PolarHBondContact O-N 3.4Å; G403-G407 WeakPolarHBondContact O-CA 3.42Å; G403-G407 PolarHBondContact O-N 3.16Å
404I96.6Very high90.4Very high8 Ų816.9 Ų16.94%0.0418%0.084CC..Hα-helixtrans-68.5-38.7-178.9-65.9-55.7000111.5P94 L125 L127 T131 L160 G407 F408P94-I404 HydrophobicContact CB-CD1 3.7Å; P94-I404 HydrophobicContact CG-CD1 4.09Å; L125-I404 HydrophobicContact CB-CG1 4.07Å; L125-I404 HydrophobicContact CD1-CD1 3.77Å; L125-I404 HydrophobicContact CD1-CG1 3.73Å; L125-I404 HydrophobicContact CD2-CG1 4.2Å; L125-I404 HydrophobicContact CG-CG1 4.22Å; L127-I404 HydrophobicContact CD2-CB 4.13Å; L127-I404 HydrophobicContact CD2-CG1 4.33Å; L127-I404 HydrophobicContact CD2-CG2 3.74Å; T131-I404 HydrophobicContact CG2-CG2 4.19Å; L160-I404 HydrophobicContact CD2-CD1 3.65Å; L160-I404 HydrophobicContact CD2-CG1 3.94Å; L160-I404 HydrophobicContact CD2-CG2 4.36Å; I404-G407 PolarHBondContact O-N 3.04Å; I404-F408 HydrophobicContact CG2-CD1 3.86Å; I404-F408 HydrophobicContact CG2-CD2 4.4Å; I404-F408 HydrophobicContact CG2-CE1 3.74Å; I404-F408 HydrophobicContact CG2-CE2 4.28Å; I404-F408 HydrophobicContact CG2-CG 4.2Å; I404-F408 HydrophobicContact CG2-CZ 3.95Å; I404-F408 VanDerWaalsContact O-CB 3.3Å; I404-F408 WeakPolarHBondContact O-CB 3.35Å; I404-F408 WeakPolarHBondContact O-CD1 3.2Å; I404-F408 WeakPolarHBondContact O-CG 3.48Å; I404-F408 PolarHBondContact O-N 3.02Å
405A95.9Very high90.8Very high1 Ų115.9 Ų15.91%0.0088%0.078CC..Hα-helixtrans-58.9-55.3176.400000112.3W128 F130 T131 G407 F408 L409W128-A405 HydrophobicContact CB-CB 4.23Å; W128-A405 HydrophobicContact CD2-CB 3.25Å; W128-A405 HydrophobicContact CE3-CB 3.41Å; W128-A405 VanDerWaalsContact CE3-CB 3.41Å; W128-A405 HydrophobicContact CG-CB 3.68Å; W128-A405 HydrophobicContact CH2-CB 3.95Å; W128-A405 HydrophobicContact CZ2-CB 3.92Å; W128-A405 HydrophobicContact CZ3-CB 3.75Å; F130-A405 HydrophobicContact CE1-CB 3.9Å; F130-A405 HydrophobicContact CZ-CB 4.19Å; T131-A405 HydrophobicContact CG2-CB 4.42Å; A405-G407 VanDerWaalsContact C-N 3.34Å; A405-G407 PolarHBondContact O-N 3.4Å; A405-F408 PolarHBondContact O-N 3.27Å; A405-L409 WeakPolarHBondContact O-CG 3.1Å; A405-L409 PolarHBondContact O-N 2.95Å
406R96Very high91.4Very high42 Ų4214.3 Ų14.316%0.1587%0.07CC..Hα-helixtrans-68.7-34.1179.5-67.1-178.8-179.8172.1-2.9111.8T402 A410 L441 S442 T444T402-R406 WeakPolarHBondContact O-CB 3.21Å; T402-R406 WeakPolarHBondContact O-CG 3.39Å; T402-R406 PolarHBondContact O-N 3.37Å; R406-A410 VanDerWaalsContact O-CB 3.25Å; R406-A410 WeakPolarHBondContact O-CB 3.36Å; R406-A410 PolarHBondContact O-N 3.01Å; R406-L441 HydrophobicContact CB-CD1 4.1Å; R406-L441 HydrophobicContact CB-CG 4.46Å; R406-L441 HydrophobicContact CG-CD1 4.35Å; R406-L441 PolarHBondContact NE-O 3.36Å; R406-S442 PolarHBondContact NH1-O 3.33Å; R406-S442 PolarHBondContact NH2-O 3.46Å; R406-T444 WeakPolarHBondContact CG-OG1 3.49Å; R406-T444 PolarHBondContact NE-OG1 2.85Å; R406-T444 VanDerWaalsContact NE-OG1 3.16Å; R406-T444 PolarHBondContact NH2-O 2.82Å
407G97.6Very high92.1Very high1 Ų113.6 Ų13.61%0.017%0.066CC..Hα-helixtrans-62.4-41.6172.800000113.7G403 I404 A405 S411G403-G407 WeakPolarHBondContact O-CA 3.42Å; G403-G407 PolarHBondContact O-N 3.16Å; I404-G407 PolarHBondContact O-N 3.04Å; A405-G407 VanDerWaalsContact C-N 3.34Å; A405-G407 PolarHBondContact O-N 3.4Å; G407-S411 PolarHBondContact O-N 3.49Å; G407-S411 PolarHBondContact O-OG 3.28Å
408F98.6Very high93.1Very high0 Ų011.5 Ų11.50%06%0.056CC..Hα-helixtrans-75.4-40.9178.7-80.529.2000111.4P94 R98 F130 T131 D134 L135 L164 I404 A405 A410 S411 F412P94-F408 HydrophobicContact CB-CE1 4.43Å; R98-F408 HydrophobicContact CB-CD1 4.09Å; R98-F408 HydrophobicContact CB-CE1 3.75Å; R98-F408 HydrophobicContact CB-CZ 4.03Å; R98-F408 HydrophobicContact CG-CD1 3.84Å; R98-F408 HydrophobicContact CG-CD2 3.88Å; R98-F408 HydrophobicContact CG-CE1 3.78Å; R98-F408 HydrophobicContact CG-CE2 3.84Å; R98-F408 HydrophobicContact CG-CG 3.9Å; R98-F408 HydrophobicContact CG-CZ 3.79Å; F130-F408 HydrophobicContact CE2-CB 4.3Å; T131-F408 HydrophobicContact CG2-CD2 4.28Å; D134-F408 WeakPolarHBondContact OD2-CD2 3.19Å; D134-F408 WeakPolarHBondContact OD2-CE2 3.02Å; L135-F408 HydrophobicContact CD1-CE2 4.42Å; L135-F408 HydrophobicContact CD2-CE2 4.05Å; L135-F408 HydrophobicContact CD2-CZ 4.21Å; L135-F408 HydrophobicContact CG-CE2 4.12Å; L164-F408 HydrophobicContact CD1-CZ 4.16Å; I404-F408 HydrophobicContact CG2-CD1 3.86Å; I404-F408 HydrophobicContact CG2-CD2 4.4Å; I404-F408 HydrophobicContact CG2-CE1 3.74Å; I404-F408 HydrophobicContact CG2-CE2 4.28Å; I404-F408 HydrophobicContact CG2-CG 4.2Å; I404-F408 HydrophobicContact CG2-CZ 3.95Å; I404-F408 VanDerWaalsContact O-CB 3.3Å; I404-F408 WeakPolarHBondContact O-CB 3.35Å; I404-F408 WeakPolarHBondContact O-CD1 3.2Å; I404-F408 WeakPolarHBondContact O-CG 3.48Å; I404-F408 PolarHBondContact O-N 3.02Å; A405-F408 PolarHBondContact O-N 3.27Å; F408-A410 VanDerWaalsContact C-N 3.31Å; F408-A410 PolarHBondContact O-N 3.39Å; F408-S411 WeakPolarHBondContact O-CA 3.2Å; F408-S411 VanDerWaalsContact O-CB 3.26Å; F408-S411 WeakPolarHBondContact O-CB 3.25Å; F408-S411 PolarHBondContact O-N 2.95Å; F408-F412 HydrophobicContact CB-CE2 4.4Å; F408-F412 WeakPolarHBondContact O-CD2 3.27Å; F408-F412 WeakPolarHBondContact O-CG 3.39Å; F408-F412 PolarHBondContact O-N 2.77Å
409L98.5Very high93.9Very high0 Ų08.7 Ų8.70%05%0.046CC..Hα-helixtrans-57.5-44.3170.9-71.4172.2000111.6F130 A405 S411 F412 D413 L441 T444 T449 R463 Y464F130-L409 HydrophobicContact CE1-CD1 4.43Å; F130-L409 HydrophobicContact CE1-CG 4.37Å; F130-L409 HydrophobicContact CE2-CD2 4.44Å; F130-L409 HydrophobicContact CE2-CG 4.47Å; F130-L409 HydrophobicContact CZ-CD1 4.32Å; F130-L409 HydrophobicContact CZ-CD2 4.13Å; F130-L409 HydrophobicContact CZ-CG 3.8Å; A405-L409 WeakPolarHBondContact O-CG 3.1Å; A405-L409 PolarHBondContact O-N 2.95Å; L409-S411 VanDerWaalsContact C-N 3.3Å; L409-S411 PolarHBondContact O-N 3.32Å; L409-F412 PolarHBondContact O-N 3.16Å; L409-D413 PolarHBondContact O-N 2.83Å; L409-L441 HydrophobicContact CB-CD1 3.83Å; L409-T444 HydrophobicContact CD1-CG2 3.93Å; L409-T449 HydrophobicContact CD1-CG2 4.46Å; L409-R463 HydrophobicContact CD2-CB 4.31Å; L409-Y464 HydrophobicContact CD1-CE1 4.39Å; L409-Y464 HydrophobicContact CD2-CE1 4.38Å
410A98.4Very high95.2Very high1 Ų18.3 Ų8.31%0.0084%0.043CC..Hα-helixtrans-65.1-30.317300000113.5V389 L393 R406 F408 T414 L441V389-A410 HydrophobicContact CG1-CB 4.15Å; L393-A410 HydrophobicContact CD2-CB 3.66Å; R406-A410 VanDerWaalsContact O-CB 3.25Å; R406-A410 WeakPolarHBondContact O-CB 3.36Å; R406-A410 PolarHBondContact O-N 3.01Å; F408-A410 VanDerWaalsContact C-N 3.31Å; F408-A410 PolarHBondContact O-N 3.39Å; A410-T414 VanDerWaalsContact O-CB 3.22Å; A410-T414 WeakPolarHBondContact O-CB 3.45Å; A410-T414 PolarHBondContact O-N 3.04Å; A410-T414 VanDerWaalsContact O-N 3.08Å; A410-T414 PolarHBondContact O-OG1 3.43Å; A410-L441 HydrophobicContact CB-CD2 3.95Å
411S98.7Very high96.4Very high0 Ų07.9 Ų7.90%04%0.04CC..Hα-helixtrans-66.2-47.1173.9-54.60000110.4C95 T99 V389 G407 F408 L409 T414 A415C95-S411 PolarHBondContact O-OG 3.23Å; T99-S411 VanDerWaalsContact OG1-CB 3.25Å; T99-S411 WeakPolarHBondContact OG1-CB 3.49Å; T99-S411 PolarHBondContact OG1-OG 3.33Å; V389-S411 WeakPolarHBondContact CG1-OG 3.14Å; G407-S411 PolarHBondContact O-N 3.49Å; G407-S411 PolarHBondContact O-OG 3.28Å; F408-S411 WeakPolarHBondContact O-CA 3.2Å; F408-S411 VanDerWaalsContact O-CB 3.26Å; F408-S411 WeakPolarHBondContact O-CB 3.25Å; F408-S411 PolarHBondContact O-N 2.95Å; L409-S411 VanDerWaalsContact C-N 3.3Å; L409-S411 PolarHBondContact O-N 3.32Å; S411-T414 PolarHBondContact O-N 2.86Å; S411-A415 WeakPolarHBondContact O-CB 3.27Å; S411-A415 PolarHBondContact O-N 2.7Å
412F98.8Very high97Very high0 Ų08.8 Ų8.80%05%0.049CC..Hα-helixtrans-64.9-44.7177-60.3-45.2000112.9E102 F130 D134 F408 L409 T414 A415 W416 I458 R463E102-F412 HydrophobicContact CG-CD1 4.17Å; E102-F412 HydrophobicContact CG-CE1 4.4Å; F130-F412 HydrophobicContact CE2-CE2 4.14Å; D134-F412 WeakPolarHBondContact OD1-CZ 3.5Å; F408-F412 HydrophobicContact CB-CE2 4.4Å; F408-F412 WeakPolarHBondContact O-CD2 3.27Å; F408-F412 WeakPolarHBondContact O-CG 3.39Å; F408-F412 PolarHBondContact O-N 2.77Å; L409-F412 PolarHBondContact O-N 3.16Å; F412-T414 PolarHBondContact O-N 3.09Å; F412-A415 PolarHBondContact O-N 2.83Å; F412-W416 WeakPolarHBondContact O-CB 3.38Å; F412-W416 PolarHBondContact O-N 3.33Å; F412-I458 HydrophobicContact CB-CG2 4.41Å; F412-I458 HydrophobicContact CD1-CG2 4.06Å; F412-R463 VanDerWaalsContact CB-CZ 3.42Å
413D98.6Very high97.4Very high0 Ų012.7 Ų12.70%07%0.068CC..Hα-helixtrans-61.4-34.6176.5-66.6-10.9000111.5L409 T417 R434 M437 R463 Y464L409-D413 PolarHBondContact O-N 2.83Å; D413-T417 WeakPolarHBondContact O-CB 3.48Å; D413-T417 PolarHBondContact O-N 3.01Å; D413-T417 PolarHBondContact O-OG1 3.46Å; D413-R434 IonicContact OD2-NH1 3.57Å; D413-M437 HydrophobicContact CB-CB 4.44Å; D413-M437 HydrophobicContact CB-CE 3.98Å; D413-M437 HydrophobicContact CB-SD 3.9Å; D413-M437 WeakPolarHBondContact O-CE 3.18Å; D413-R463 IonicContact OD1-CZ 2.69Å; D413-R463 VanDerWaalsContact OD1-CZ 3.22Å; D413-R463 IonicContact OD1-NH1 2.92Å; D413-R463 PolarHBondContact OD1-NH1 3.45Å; D413-R463 IonicContact OD1-NH2 3.08Å; D413-R463 PolarHBondContact OD1-NH2 2.68Å; D413-Y464 WeakPolarHBondContact OD1-CE2 3.29Å; D413-Y464 PolarHBondContact OD1-OH 3.3Å; D413-Y464 PolarHBondContact OD2-OH 3.15Å
414T98.7Very high97.5Very high0 Ų014.7 Ų14.70%09%0.089CC..Hα-helixtrans-75.3-40.4177.5-58.90000111.5T99 I213 A387 V389 A410 S411 F412 T417 V418T99-T414 HydrophobicContact CG2-CG2 4.39Å; I213-T414 HydrophobicContact CD1-CG2 3.61Å; I213-T414 HydrophobicContact CG1-CG2 4.45Å; I213-T414 HydrophobicContact CG2-CG2 4.43Å; A387-T414 HydrophobicContact CB-CG2 3.81Å; V389-T414 HydrophobicContact CG2-CG2 3.89Å; V389-T414 WeakPolarHBondContact CG2-OG1 3.33Å; A410-T414 VanDerWaalsContact O-CB 3.22Å; A410-T414 WeakPolarHBondContact O-CB 3.45Å; A410-T414 PolarHBondContact O-N 3.04Å; A410-T414 VanDerWaalsContact O-N 3.08Å; A410-T414 PolarHBondContact O-OG1 3.43Å; S411-T414 PolarHBondContact O-N 2.86Å; F412-T414 PolarHBondContact O-N 3.09Å; T414-T417 WeakPolarHBondContact O-CB 3.49Å; T414-T417 PolarHBondContact O-N 3.3Å; T414-V418 WeakPolarHBondContact O-CG2 3.36Å; T414-V418 PolarHBondContact O-N 2.91Å
415A98.8Very high97.4Very high0 Ų017.1 Ų17.10%010%0.101CC..Hα-helixtrans-61.1-43.5171.600000112.1E102 L106 S411 F412 T417 V418 R419 I458E102-A415 HydrophobicContact CB-CB 3.49Å; E102-A415 VanDerWaalsContact CB-CB 3.49Å; E102-A415 HydrophobicContact CG-CB 4.1Å; L106-A415 HydrophobicContact CD1-CB 4.21Å; L106-A415 WeakPolarHBondContact CD1-O 3.4Å; S411-A415 WeakPolarHBondContact O-CB 3.27Å; S411-A415 PolarHBondContact O-N 2.7Å; F412-A415 PolarHBondContact O-N 2.83Å; A415-T417 VanDerWaalsContact C-N 3.3Å; A415-T417 PolarHBondContact O-N 2.95Å; A415-V418 PolarHBondContact O-N 3.43Å; A415-R419 WeakPolarHBondContact O-CB 3.21Å; A415-R419 PolarHBondContact O-N 3.2Å; A415-I458 HydrophobicContact CB-CG2 3.8Å
416W98.6Very high97.3Very high24 Ų2423.1 Ų23.19%0.09113%0.129CC..Hα-helixtrans-58.9-41172-178.1-98000112.5V75 F412 R419 S420 I458 D459V75-W416 HydrophobicContact CG1-CZ3 4.43Å; F412-W416 WeakPolarHBondContact O-CB 3.38Å; F412-W416 PolarHBondContact O-N 3.33Å; W416-R419 WeakPolarHBondContact O-CB 3.37Å; W416-R419 PolarHBondContact O-N 3.47Å; W416-S420 PolarHBondContact O-N 3.01Å; W416-S420 PolarHBondContact O-OG 3.4Å; W416-I458 HydrophobicContact CE3-CD1 4.44Å; W416-I458 HydrophobicContact CE3-CG1 4.26Å; W416-D459 HydrophobicContact CE3-CB 4.19Å; W416-D459 HydrophobicContact CH2-CB 4.19Å; W416-D459 HydrophobicContact CZ3-CB 3.75Å
417T98.6Very high97.2Very high2 Ų223 Ų231%0.01213%0.13CC..Hα-helixtrans-66.4-39.7177.9-57.50000111.7L385 D413 T414 A415 S420 W421 V430 R434L385-T417 HydrophobicContact CD2-CG2 4.35Å; D413-T417 WeakPolarHBondContact O-CB 3.48Å; D413-T417 PolarHBondContact O-N 3.01Å; D413-T417 PolarHBondContact O-OG1 3.46Å; T414-T417 WeakPolarHBondContact O-CB 3.49Å; T414-T417 PolarHBondContact O-N 3.3Å; A415-T417 VanDerWaalsContact C-N 3.3Å; A415-T417 PolarHBondContact O-N 2.95Å; T417-S420 PolarHBondContact O-N 3.07Å; T417-W421 WeakPolarHBondContact O-CB 3.22Å; T417-W421 PolarHBondContact O-N 2.95Å; T417-V430 HydrophobicContact CG2-CG1 3.47Å; T417-V430 VanDerWaalsContact CG2-CG1 3.47Å; T417-V430 WeakPolarHBondContact O-CG1 3.48Å; T417-R434 HydrophobicContact CG2-CB 3.91Å; T417-R434 HydrophobicContact CG2-CG 4.25Å; T417-R434 WeakPolarHBondContact OG1-CD 3.4Å
418V98.6Very high97Very high0 Ų024.3 Ų24.30%014%0.136CC..Hα-helixtrans-70.8-33.3174.3177.60000111.7C82 L103 V211 I213 L385 T414 A415 W421 G422C82-V418 PolarHBondContact SG-O 3.22Å; L103-V418 HydrophobicContact CD2-CB 3.7Å; L103-V418 HydrophobicContact CD2-CG1 3.64Å; L103-V418 HydrophobicContact CD2-CG2 3.93Å; V211-V418 HydrophobicContact CG1-CG1 4.41Å; V211-V418 HydrophobicContact CG1-CG2 3.69Å; V211-V418 HydrophobicContact CG2-CG1 4.1Å; V211-V418 HydrophobicContact CG2-CG2 4.49Å; I213-V418 HydrophobicContact CD1-CG2 4.3Å; L385-V418 HydrophobicContact CD2-CG2 4.03Å; T414-V418 WeakPolarHBondContact O-CG2 3.36Å; T414-V418 PolarHBondContact O-N 2.91Å; A415-V418 PolarHBondContact O-N 3.43Å; V418-W421 WeakPolarHBondContact O-CB 3.22Å; V418-W421 PolarHBondContact O-N 2.93Å; V418-G422 PolarHBondContact O-N 2.92Å
419R98.3Very high96.8Very high34 Ų3426.5 Ų26.513%0.12815%0.15CC..Hα-helixtrans-58.3-53.8168.9-178-179177-84-11.1111.1V75 E77 A81 L106 A415 W416 W421 G422 M423V75-R419 WeakPolarHBondContact O-CD 3.4Å; V75-R419 PolarHBondContact O-NE 3.29Å; E77-R419 IonicContact OE1-CZ 3.51Å; E77-R419 IonicContact OE1-NE 3.43Å; E77-R419 IonicContact OE1-NH2 3.47Å; E77-R419 PolarHBondContact OE1-NH2 3.42Å; A81-R419 HydrophobicContact CB-CG 4.21Å; L106-R419 HydrophobicContact CD1-CB 4.25Å; L106-R419 HydrophobicContact CD2-CB 3.84Å; L106-R419 HydrophobicContact CD2-CG 3.92Å; A415-R419 WeakPolarHBondContact O-CB 3.21Å; A415-R419 PolarHBondContact O-N 3.2Å; W416-R419 WeakPolarHBondContact O-CB 3.37Å; W416-R419 PolarHBondContact O-N 3.47Å; R419-W421 PolarHBondContact O-N 2.93Å; R419-G422 PolarHBondContact O-N 3.06Å; R419-G422 VanDerWaalsContact O-N 3.16Å; R419-M423 HydrophobicContact CG-CG 4.47Å; R419-M423 HydrophobicContact CG-SD 4.16Å; R419-M423 PolarHBondContact NH2-SD 2.99Å; R419-M423 VanDerWaalsContact O-CG 3.31Å; R419-M423 WeakPolarHBondContact O-CG 3.48Å; R419-M423 PolarHBondContact O-N 2.82Å
420S97.7Very high96.8Very high1 Ų126.6 Ų26.61%0.00715%0.15CC..Hα-helixtrans-57.8-36.4176.9-66.70000112.5W416 T417 I425W416-S420 PolarHBondContact O-N 3.01Å; W416-S420 PolarHBondContact O-OG 3.4Å; T417-S420 PolarHBondContact O-N 3.07Å; S420-I425 VanDerWaalsContact O-CB 3.25Å; S420-I425 WeakPolarHBondContact O-CB 3.34Å; S420-I425 WeakPolarHBondContact O-CG1 3.1Å; S420-I425 PolarHBondContact O-N 3.01Å
421W97.3Very high96.7Very high19 Ų1926.5 Ų26.57%0.07215%0.15CC..Hα-helixtrans-65.2-48.9173.1176.2-94.6000113D210 V376 K383 L385 T417 V418 R419 M423 G424 H427D210-W421 PolarHBondContact OD1-NE1 2.92Å; V376-W421 HydrophobicContact CG1-CH2 4.11Å; V376-W421 HydrophobicContact CG1-CZ3 4.23Å; V376-W421 HydrophobicContact CG2-CH2 4.37Å; V376-W421 HydrophobicContact CG2-CZ3 3.85Å; K383-W421 HydrophobicContact CB-CH2 3.86Å; K383-W421 HydrophobicContact CB-CZ2 4.23Å; L385-W421 HydrophobicContact CB-CD2 3.96Å; L385-W421 HydrophobicContact CB-CE3 4.04Å; L385-W421 HydrophobicContact CB-CH2 4.09Å; L385-W421 HydrophobicContact CB-CZ2 4.02Å; L385-W421 HydrophobicContact CB-CZ3 4.1Å; L385-W421 HydrophobicContact CD2-CB 3.93Å; L385-W421 HydrophobicContact CD2-CD2 4.04Å; L385-W421 HydrophobicContact CD2-CE3 4.26Å; L385-W421 HydrophobicContact CD2-CG 3.92Å; T417-W421 WeakPolarHBondContact O-CB 3.22Å; T417-W421 PolarHBondContact O-N 2.95Å; V418-W421 WeakPolarHBondContact O-CB 3.22Å; V418-W421 PolarHBondContact O-N 2.93Å; R419-W421 PolarHBondContact O-N 2.93Å; W421-M423 VanDerWaalsContact C-N 3.33Å; W421-M423 PolarHBondContact O-N 3.31Å; W421-G424 PolarHBondContact O-N 2.96Å; W421-H427 AromaticContact CE3-CD2 3.63Å; W421-H427 HydrophobicContact CZ3-CB 4.01Å; W421-H427 AromaticContact CZ3-CD2 3.45Å; W421-H427 VanDerWaalsContact CZ3-CD2 3.45Å; W421-H427 WeakPolarHBondContact CZ3-CD2 3.38Å; W421-H427 AromaticContact CZ3-CG 3.57Å; W421-H427 AromaticContact CZ3-NE2 3.97Å
422G95.6Very high96.5Very high28 Ų2826.8 Ų26.829%0.28915%0.152SC..Hα-helixtrans-63.6-35.1178.600000113.6A81 N85 V418 R419 G424A81-G422 CarbonylContact O-C 3.54Å; N85-G422 WeakPolarHBondContact OD1-CA 3.47Å; V418-G422 PolarHBondContact O-N 2.92Å; R419-G422 PolarHBondContact O-N 3.06Å; R419-G422 VanDerWaalsContact O-N 3.16Å; G422-G424 PolarHBondContact O-N 3.14Å
423M94.6Very high96.5Very high89 Ų8928.5 Ų28.544%0.43816%0.16SC..THydrogen-bonded Turntrans-71.2-2.3171.4-63.9-175.390.300114.1E77 R419 W421 I425E77-M423 VanDerWaalsContact OE1-CE 3.24Å; E77-M423 WeakPolarHBondContact OE1-CE 3.21Å; R419-M423 HydrophobicContact CG-CG 4.47Å; R419-M423 HydrophobicContact CG-SD 4.16Å; R419-M423 PolarHBondContact NH2-SD 2.99Å; R419-M423 VanDerWaalsContact O-CG 3.31Å; R419-M423 WeakPolarHBondContact O-CG 3.48Å; R419-M423 PolarHBondContact O-N 2.82Å; W421-M423 VanDerWaalsContact C-N 3.33Å; W421-M423 PolarHBondContact O-N 3.31Å; M423-I425 HydrophobicContact CB-CG1 4.44Å
424G93.4Very high96.4Very high58 Ų5828.5 Ų28.560%0.59816%0.16SC*.THydrogen-bonded Turntrans74.422.5178.300000114.8W421 G422W421-G424 PolarHBondContact O-N 2.96Å; G422-G424 PolarHBondContact O-N 3.14Å
425I95.1Very high96.3Very high60 Ų6029 Ų2931%0.30816%0.162SC..  trans-63.8138.3173.8-60.1-175.6000109.1S420 M423 H427 T429 V430S420-I425 VanDerWaalsContact O-CB 3.25Å; S420-I425 WeakPolarHBondContact O-CB 3.34Å; S420-I425 WeakPolarHBondContact O-CG1 3.1Å; S420-I425 PolarHBondContact O-N 3.01Å; M423-I425 HydrophobicContact CB-CG1 4.44Å; I425-H427 PolarHBondContact O-N 3.03Å; I425-H427 VanDerWaalsContact O-N 3.16Å; I425-T429 HydrophobicContact CG2-CG2 4.42Å; I425-V430 HydrophobicContact CB-CG2 3.89Å; I425-V430 HydrophobicContact CG2-CG2 3.94Å; I425-V430 WeakPolarHBondContact O-CG2 3.48Å
426H93.8Very high96.1Very high127 Ų12729.1 Ų29.159%0.58816%0.163SC*.  trans-51.7121.4-176.4177.8-98.1000111.8M428 T429 V430H426-M428 VanDerWaalsContact C-N 3.26Å; H426-M428 PolarHBondContact O-N 2.99Å; H426-T429 WeakPolarHBondContact O-CA 3.1Å; H426-T429 WeakPolarHBondContact O-CB 3.24Å; H426-T429 PolarHBondContact O-N 3.45Å; H426-T429 PolarHBondContact O-OG1 3.14Å; H426-V430 PolarHBondContact O-N 2.7Å
427H93.6Very high96Very high39 Ų3928 Ų2818%0.18116%0.159CC..Hα-helixtrans-57.8-33.9-162.9-46.6142.6000114.3K383 W421 I425 T429 V430 I431 Y481K383-H427 WeakPolarHBondContact CD-CE1 3.36Å; W421-H427 AromaticContact CE3-CD2 3.63Å; W421-H427 HydrophobicContact CZ3-CB 4.01Å; W421-H427 AromaticContact CZ3-CD2 3.45Å; W421-H427 VanDerWaalsContact CZ3-CD2 3.45Å; W421-H427 WeakPolarHBondContact CZ3-CD2 3.38Å; W421-H427 AromaticContact CZ3-CG 3.57Å; W421-H427 AromaticContact CZ3-NE2 3.97Å; I425-H427 PolarHBondContact O-N 3.03Å; I425-H427 VanDerWaalsContact O-N 3.16Å; H427-T429 PolarHBondContact O-N 3.28Å; H427-V430 WeakPolarHBondContact O-CB 3.4Å; H427-V430 PolarHBondContact O-N 3.39Å; H427-I431 WeakPolarHBondContact O-CG1 3.08Å; H427-I431 PolarHBondContact O-N 3.42Å; H427-Y481 HydrophobicContact CB-CE2 3.95Å; H427-Y481 AromaticContact ND1-CE2 3.94Å
428M92.8Very high95.9Very high28 Ų2828.2 Ų28.214%0.13816%0.159CC..Hα-helixtrans-66.7-27.7177.2-146.866.458.800112.7H426 I431 A432 T474 V477 Y481H426-M428 VanDerWaalsContact C-N 3.26Å; H426-M428 PolarHBondContact O-N 2.99Å; M428-I431 HydrophobicContact SD-CD1 4.39Å; M428-A432 VanDerWaalsContact O-CB 3.31Å; M428-A432 WeakPolarHBondContact O-CB 3.33Å; M428-A432 PolarHBondContact O-N 3.42Å; M428-A432 VanDerWaalsContact O-N 3.11Å; M428-T474 HydrophobicContact CB-CG2 4.24Å; M428-T474 HydrophobicContact CG-CG2 4.39Å; M428-T474 WeakPolarHBondContact CG-O 3.25Å; M428-V477 HydrophobicContact CG-CG2 4.12Å; M428-V477 HydrophobicContact SD-CG2 4.26Å; M428-Y481 HydrophobicContact CE-CD1 4.49Å; M428-Y481 HydrophobicContact CE-CD2 3.69Å; M428-Y481 HydrophobicContact CE-CG 3.66Å
429T95.5Very high95.5Very high46 Ų4632.9 Ų32.928%0.28218%0.181SC..Hα-helixtrans-74.3-42.5172.3-47.70000110.1I425 H426 H427 I431 A432 E433I425-T429 HydrophobicContact CG2-CG2 4.42Å; H426-T429 WeakPolarHBondContact O-CA 3.1Å; H426-T429 WeakPolarHBondContact O-CB 3.24Å; H426-T429 PolarHBondContact O-N 3.45Å; H426-T429 PolarHBondContact O-OG1 3.14Å; H427-T429 PolarHBondContact O-N 3.28Å; T429-I431 VanDerWaalsContact C-N 3.35Å; T429-I431 PolarHBondContact O-N 3.4Å; T429-A432 PolarHBondContact O-N 2.79Å; T429-A432 VanDerWaalsContact O-N 3.14Å; T429-E433 WeakPolarHBondContact O-CG 3.35Å; T429-E433 PolarHBondContact O-N 2.88Å
430V96.9Very high95.2Very high2 Ų233.7 Ų33.71%0.01219%0.188CC..Hα-helixtrans-58-44.7175.5-179.70000111.6T417 I425 H426 H427 R434T417-V430 HydrophobicContact CG2-CG1 3.47Å; T417-V430 VanDerWaalsContact CG2-CG1 3.47Å; T417-V430 WeakPolarHBondContact O-CG1 3.48Å; I425-V430 HydrophobicContact CB-CG2 3.89Å; I425-V430 HydrophobicContact CG2-CG2 3.94Å; I425-V430 WeakPolarHBondContact O-CG2 3.48Å; H426-V430 PolarHBondContact O-N 2.7Å; H427-V430 WeakPolarHBondContact O-CB 3.4Å; H427-V430 PolarHBondContact O-N 3.39Å; V430-R434 WeakPolarHBondContact O-CB 3.22Å; V430-R434 PolarHBondContact O-N 2.91Å; V430-R434 VanDerWaalsContact O-N 3.08Å
431I96.8Very high94.8Very high0 Ų033.7 Ų33.70%019%0.188CC..Hα-helixtrans-64.9-47.2173.6-58.5164.2000110.5V376 H427 M428 T429 E433 R434 E435 V477 L480 Y481V376-I431 HydrophobicContact CB-CD1 4.17Å; V376-I431 HydrophobicContact CG2-CD1 3.8Å; V376-I431 HydrophobicContact CG2-CG1 4.09Å; H427-I431 WeakPolarHBondContact O-CG1 3.08Å; H427-I431 PolarHBondContact O-N 3.42Å; M428-I431 HydrophobicContact SD-CD1 4.39Å; T429-I431 VanDerWaalsContact C-N 3.35Å; T429-I431 PolarHBondContact O-N 3.4Å; I431-E433 VanDerWaalsContact C-N 3.34Å; I431-E433 PolarHBondContact O-N 2.71Å; I431-R434 WeakPolarHBondContact O-CB 3.21Å; I431-R434 PolarHBondContact O-N 3.1Å; I431-R434 VanDerWaalsContact O-N 3.12Å; I431-E435 HydrophobicContact CG2-CG 4.17Å; I431-E435 WeakPolarHBondContact O-CG 3.47Å; I431-E435 PolarHBondContact O-N 3.43Å; I431-V477 HydrophobicContact CB-CG2 4.31Å; I431-V477 HydrophobicContact CG2-CB 3.79Å; I431-V477 HydrophobicContact CG2-CG1 4.07Å; I431-V477 HydrophobicContact CG2-CG2 4.13Å; I431-L480 HydrophobicContact CD1-CB 4.43Å; I431-L480 HydrophobicContact CG2-CB 4.09Å; I431-L480 HydrophobicContact CG2-CD1 3.72Å; I431-Y481 HydrophobicContact CD1-CD2 4.41Å
432A95.1Very high94.2Very high5 Ų534 Ų344%0.04119%0.192CC..Hα-helixtrans-59.7-41.7-179.300000112.8M428 T429 E435 S436 I472 T474 V477M428-A432 VanDerWaalsContact O-CB 3.31Å; M428-A432 WeakPolarHBondContact O-CB 3.33Å; M428-A432 PolarHBondContact O-N 3.42Å; M428-A432 VanDerWaalsContact O-N 3.11Å; T429-A432 PolarHBondContact O-N 2.79Å; T429-A432 VanDerWaalsContact O-N 3.14Å; A432-E435 PolarHBondContact O-N 2.93Å; A432-S436 WeakPolarHBondContact O-CB 3.35Å; A432-S436 PolarHBondContact O-N 2.96Å; A432-S436 PolarHBondContact O-OG 3.41Å; A432-S436 VanDerWaalsContact O-OG 3.05Å; A432-I472 HydrophobicContact CB-CG2 4.22Å; A432-T474 HydrophobicContact CB-CG2 4.33Å; A432-V477 HydrophobicContact CB-CG2 4.03Å
433E97.3Very high93.5Very high37 Ų3736 Ų3617%0.17320%0.195CC..Hα-helixtrans-62.6-43.7173-73.2177.2-162.500111.8T429 I431 E435 S436 M437 L469T429-E433 WeakPolarHBondContact O-CG 3.35Å; T429-E433 PolarHBondContact O-N 2.88Å; I431-E433 VanDerWaalsContact C-N 3.34Å; I431-E433 PolarHBondContact O-N 2.71Å; E433-E435 VanDerWaalsContact C-N 3.35Å; E433-E435 PolarHBondContact O-N 3.32Å; E433-S436 PolarHBondContact O-N 2.92Å; E433-M437 WeakPolarHBondContact O-CG 3.47Å; E433-M437 PolarHBondContact O-N 2.71Å; E433-L469 HydrophobicContact CB-CD2 4.36Å; E433-L469 HydrophobicContact CG-CB 4.43Å; E433-L469 HydrophobicContact CG-CD2 4.49Å
434R97.7Very high93.1Very high0 Ų032 Ų320%018%0.175CC..Hα-helixtrans-60.5-42.9177.4-17968.7-164.5100.6-17112.4A373 S374 D413 T417 V430 I431 M437 Y438A373-R434 HydrophobicContact CB-CG 4.04Å; S374-R434 WeakPolarHBondContact OG-CG 3.05Å; D413-R434 IonicContact OD2-NH1 3.57Å; T417-R434 HydrophobicContact CG2-CB 3.91Å; T417-R434 HydrophobicContact CG2-CG 4.25Å; T417-R434 WeakPolarHBondContact OG1-CD 3.4Å; V430-R434 WeakPolarHBondContact O-CB 3.22Å; V430-R434 PolarHBondContact O-N 2.91Å; V430-R434 VanDerWaalsContact O-N 3.08Å; I431-R434 WeakPolarHBondContact O-CB 3.21Å; I431-R434 PolarHBondContact O-N 3.1Å; I431-R434 VanDerWaalsContact O-N 3.12Å; R434-M437 PolarHBondContact O-N 3.11Å; R434-Y438 WeakPolarHBondContact O-CB 3.37Å; R434-Y438 PolarHBondContact O-N 3.09Å
435E96.6Very high92.8Very high11 Ų1131.3 Ų31.35%0.05116%0.159CC..Hα-helixtrans-72.3-38.5179.1-62.8-58.7111.700111.7H372 A373 S374 I431 A432 E433 M437 Y438 Q439 I472 V477 L480H372-E435 VanDerWaalsContact CA-OE2 3.3Å; H372-E435 WeakPolarHBondContact CA-OE2 3.45Å; H372-E435 WeakPolarHBondContact CB-OE2 3.36Å; H372-E435 IonicContact CE1-OE2 3.27Å; H372-E435 IonicContact CG-OE2 2.81Å; H372-E435 IonicContact ND1-OE2 3.33Å; H372-E435 PolarHBondContact ND1-OE2 3.47Å; A373-E435 WeakPolarHBondContact CA-OE1 3.34Å; A373-E435 WeakPolarHBondContact CB-OE1 3.46Å; A373-E435 PolarHBondContact N-OE1 3.49Å; S374-E435 PolarHBondContact N-OE1 3.04Å; S374-E435 VanDerWaalsContact N-OE1 3.16Å; I431-E435 HydrophobicContact CG2-CG 4.17Å; I431-E435 WeakPolarHBondContact O-CG 3.47Å; I431-E435 PolarHBondContact O-N 3.43Å; A432-E435 PolarHBondContact O-N 2.93Å; E433-E435 VanDerWaalsContact C-N 3.35Å; E433-E435 PolarHBondContact O-N 3.32Å; E435-M437 VanDerWaalsContact C-N 3.32Å; E435-M437 PolarHBondContact O-N 3.36Å; E435-Y438 PolarHBondContact O-N 3.43Å; E435-Y438 VanDerWaalsContact O-N 3.08Å; E435-Q439 PolarHBondContact O-N 2.67Å; E435-Q439 VanDerWaalsContact O-N 3.1Å; E435-I472 HydrophobicContact CB-CB 4.44Å; E435-I472 HydrophobicContact CB-CG1 4.19Å; E435-I472 HydrophobicContact CB-CG2 4.26Å; E435-V477 HydrophobicContact CB-CG1 4.36Å; E435-V477 HydrophobicContact CG-CG1 3.94Å; E435-L480 HydrophobicContact CG-CD1 4.17Å
436S95Very high92.3Very high2 Ų229.5 Ų29.51%0.01415%0.151CC..Hα-helixtrans-57.2-42.3170.8-69.90000112.4A432 E433 L469 A471 I472A432-S436 WeakPolarHBondContact O-CB 3.35Å; A432-S436 PolarHBondContact O-N 2.96Å; A432-S436 PolarHBondContact O-OG 3.41Å; A432-S436 VanDerWaalsContact O-OG 3.05Å; E433-S436 PolarHBondContact O-N 2.92Å; S436-L469 VanDerWaalsContact CB-O 3.26Å; S436-L469 WeakPolarHBondContact CB-O 3.34Å; S436-L469 PolarHBondContact OG-O 2.85Å; S436-A471 PolarHBondContact OG-N 2.82Å; S436-I472 PolarHBondContact OG-N 2.96Å
437M96.2Very high91.7Very high0 Ų026.8 Ų26.80%014%0.139CC..Hα-helixtrans-66.3-40.8172.2-67.5-176.1-71.700111.8D413 E433 R434 E435 Q439 L440 P460 L467 L469D413-M437 HydrophobicContact CB-CB 4.44Å; D413-M437 HydrophobicContact CB-CE 3.98Å; D413-M437 HydrophobicContact CB-SD 3.9Å; D413-M437 WeakPolarHBondContact O-CE 3.18Å; E433-M437 WeakPolarHBondContact O-CG 3.47Å; E433-M437 PolarHBondContact O-N 2.71Å; R434-M437 PolarHBondContact O-N 3.11Å; E435-M437 VanDerWaalsContact C-N 3.32Å; E435-M437 PolarHBondContact O-N 3.36Å; M437-Q439 VanDerWaalsContact C-N 3.29Å; M437-Q439 PolarHBondContact O-N 3.33Å; M437-L440 PolarHBondContact O-N 3.24Å; M437-P460 HydrophobicContact CG-CB 4.15Å; M437-P460 HydrophobicContact CG-CG 4.34Å; M437-P460 HydrophobicContact SD-CB 3.52Å; M437-P460 VanDerWaalsContact SD-CB 3.52Å; M437-P460 HydrophobicContact SD-CG 3.55Å; M437-P460 VanDerWaalsContact SD-CG 3.55Å; M437-L467 HydrophobicContact CG-CD1 4.26Å; M437-L469 HydrophobicContact CG-CD2 3.93Å; M437-L469 HydrophobicContact SD-CD2 4.41Å
438Y96.3Very high91.3Very high7 Ų728.5 Ų28.53%0.02715%0.149CC..Hα-helixtrans-64.5-29.2-175.9-178-130.4000114.1R369 A370 A373 L393 V394 R434 E435 L440 L441R369-Y438 WeakPolarHBondContact CG-OH 3.41Å; R369-Y438 PolarHBondContact NE-OH 2.84Å; R369-Y438 PolarHBondContact NH2-O 3.31Å; A370-Y438 PolarHBondContact O-OH 2.96Å; A373-Y438 HydrophobicContact CB-CD1 3.93Å; A373-Y438 HydrophobicContact CB-CD2 3.99Å; A373-Y438 HydrophobicContact CB-CG 3.64Å; L393-Y438 HydrophobicContact CD1-CD2 4.02Å; L393-Y438 HydrophobicContact CD1-CE1 4.43Å; L393-Y438 HydrophobicContact CD1-CE2 3.52Å; L393-Y438 HydrophobicContact CD2-CD2 4.07Å; L393-Y438 HydrophobicContact CD2-CE2 3.85Å; L393-Y438 HydrophobicContact CG-CD2 4.19Å; L393-Y438 HydrophobicContact CG-CE2 3.52Å; L393-Y438 PolarHBondContact O-OH 3Å; V394-Y438 HydrophobicContact CG2-CE2 3.72Å; R434-Y438 WeakPolarHBondContact O-CB 3.37Å; R434-Y438 PolarHBondContact O-N 3.09Å; E435-Y438 PolarHBondContact O-N 3.43Å; E435-Y438 VanDerWaalsContact O-N 3.08Å; Y438-L440 PolarHBondContact O-N 2.94Å; Y438-L441 HydrophobicContact CD2-CB 4.21Å; Y438-L441 HydrophobicContact CD2-CD2 4.02Å; Y438-L441 HydrophobicContact CE2-CD2 4.09Å; Y438-L441 PolarHBondContact O-N 2.73Å
439Q90.7Very high91.2Very high98 Ų9827.2 Ų27.246%0.45814%0.143SC..Hα-helixtrans-55.1-40.8174.4-73.1-173.7-25.300112.4E435 M437E435-Q439 PolarHBondContact O-N 2.67Å; E435-Q439 VanDerWaalsContact O-N 3.1Å; M437-Q439 VanDerWaalsContact C-N 3.29Å; M437-Q439 PolarHBondContact O-N 3.33Å
440L90.6Very high91Very high51 Ų5126.1 Ų26.127%0.26714%0.137SC..Hα-helixtrans-72-31.5-177.1-55.8-179.7000113M437 Y438 S442 Q443 T444 Y464 L467M437-L440 PolarHBondContact O-N 3.24Å; Y438-L440 PolarHBondContact O-N 2.94Å; L440-S442 VanDerWaalsContact C-N 3.32Å; L440-S442 PolarHBondContact O-N 2.85Å; L440-S442 VanDerWaalsContact O-N 3.14Å; L440-Q443 PolarHBondContact O-N 3Å; L440-T444 PolarHBondContact O-N 2.95Å; L440-Y464 HydrophobicContact CD1-CD1 4.24Å; L440-Y464 HydrophobicContact CD1-CD2 4.22Å; L440-Y464 HydrophobicContact CD1-CG 3.9Å; L440-L467 HydrophobicContact CD1-CD1 3.85Å
441L90.9Very high90.7Very high1 Ų131.2 Ų31.21%0.00516%0.159CC..Hα-helixtrans-55.6-41.2-162.8-174.963.9000114L393 V394 R406 L409 A410 Y438 Q443 T444L393-L441 HydrophobicContact CD2-CD2 3.58Å; L393-L441 HydrophobicContact CG-CD2 4.49Å; V394-L441 HydrophobicContact CG2-CD2 3.99Å; R406-L441 HydrophobicContact CB-CD1 4.1Å; R406-L441 HydrophobicContact CB-CG 4.46Å; R406-L441 HydrophobicContact CG-CD1 4.35Å; R406-L441 PolarHBondContact NE-O 3.36Å; L409-L441 HydrophobicContact CB-CD1 3.83Å; A410-L441 HydrophobicContact CB-CD2 3.95Å; Y438-L441 HydrophobicContact CD2-CB 4.21Å; Y438-L441 HydrophobicContact CD2-CD2 4.02Å; Y438-L441 HydrophobicContact CE2-CD2 4.09Å; Y438-L441 PolarHBondContact O-N 2.73Å; L441-Q443 VanDerWaalsContact C-N 3.29Å; L441-Q443 PolarHBondContact O-N 2.8Å; L441-T444 PolarHBondContact O-N 2.94Å; L441-T444 PolarHBondContact O-OG1 3.41Å
442S82.8Confident90.5Very high24 Ų2437.8 Ų37.817%0.16819%0.188CC..THydrogen-bonded Turntrans-70.8-21.4-179.254.10000114.5R369 R406 L440 S1012R369-S442 VanDerWaalsContact NH1-CB 3.31Å; R369-S442 PolarHBondContact NH1-OG 2.92Å; R406-S442 PolarHBondContact NH1-O 3.33Å; R406-S442 PolarHBondContact NH2-O 3.46Å; L440-S442 VanDerWaalsContact C-N 3.32Å; L440-S442 PolarHBondContact O-N 2.85Å; L440-S442 VanDerWaalsContact O-N 3.14Å; S442-S1012 PolarHBondContact O-OG 3.25Å
443Q81.6Confident90.4Very high72 Ų7238.6 Ų38.634%0.33619%0.19SC..THydrogen-bonded Turntrans-95.1-7179.5-69.9174-14.900112.4L440 L441 T445 N448 P1013L440-Q443 PolarHBondContact O-N 3Å; L441-Q443 VanDerWaalsContact C-N 3.29Å; L441-Q443 PolarHBondContact O-N 2.8Å; Q443-T445 PolarHBondContact O-N 2.95Å; Q443-N448 PolarHBondContact O-ND2 3.37Å; Q443-P1013 PolarHBondContact NE2-O 3.23Å
444T87.2Confident90Very high3 Ų339.3 Ų39.32%0.01820%0.199CC..  trans-58.6137.3-177.453.90000112.4W128 R406 L409 L440 L441 N448 T449 Y464W128-T444 WeakPolarHBondContact CH2-O 3.31Å; R406-T444 WeakPolarHBondContact CG-OG1 3.49Å; R406-T444 PolarHBondContact NE-OG1 2.85Å; R406-T444 VanDerWaalsContact NE-OG1 3.16Å; R406-T444 PolarHBondContact NH2-O 2.82Å; L409-T444 HydrophobicContact CD1-CG2 3.93Å; L440-T444 PolarHBondContact O-N 2.95Å; L441-T444 PolarHBondContact O-N 2.94Å; L441-T444 PolarHBondContact O-OG1 3.41Å; T444-N448 WeakPolarHBondContact CA-OD1 3.14Å; T444-T449 HydrophobicContact CG2-CG2 4.27Å; T444-Y464 HydrophobicContact CG2-CE1 3.91Å
445T86.1Confident89.8Confident44 Ų4444.4 Ų44.427%0.2723%0.226SC..  trans-140.8165.6167.978.10000108.4Q443 E447 N448 T449Q443-T445 PolarHBondContact O-N 2.95Å; T445-E447 WeakPolarHBondContact CB-OE2 3.47Å; T445-E447 PolarHBondContact O-N 3.24Å; T445-E447 VanDerWaalsContact O-N 3.09Å; T445-E447 PolarHBondContact OG1-N 3.4Å; T445-E447 PolarHBondContact OG1-OE2 3.43Å; T445-N448 PolarHBondContact N-OD1 3.01Å; T445-N448 PolarHBondContact O-N 2.78Å; T445-N448 PolarHBondContact O-OD1 3.32Å; T445-N448 PolarHBondContact OG1-N 2.94Å; T445-T449 WeakPolarHBondContact O-CG2 3.33Å; T445-T449 PolarHBondContact O-N 2.94Å; T445-T449 PolarHBondContact O-OG1 3.11Å; T445-T449 VanDerWaalsContact O-OG1 3.07Å
446P84.1Confident89.8Confident22 Ų2244.2 Ų44.214%0.14323%0.225CC..THydrogen-bonded Turntrans-60.2-18.5175.3-14.725.4000113.6W128 K451W128-P446 HydrophobicContact CD2-CG 3.66Å; W128-P446 HydrophobicContact CE3-CB 4.42Å; W128-P446 HydrophobicContact CE3-CG 3.84Å; W128-P446 HydrophobicContact CG-CG 3.96Å; W128-P446 HydrophobicContact CZ3-CG 4.44Å; P446-K451 WeakPolarHBondContact O-CD 3.33Å; P446-K451 VanDerWaalsContact O-CE 3.22Å; P446-K451 WeakPolarHBondContact O-CE 3.44Å; P446-K451 PolarHBondContact O-NZ 3.08Å
447E82.8Confident89.9Confident70 Ų7044.7 Ų44.733%0.32723%0.228SC..THydrogen-bonded Turntrans-85.4-39.8-175.7-58.961.4-113.600112T445 K451T445-E447 WeakPolarHBondContact CB-OE2 3.47Å; T445-E447 PolarHBondContact O-N 3.24Å; T445-E447 VanDerWaalsContact O-N 3.09Å; T445-E447 PolarHBondContact OG1-N 3.4Å; T445-E447 PolarHBondContact OG1-OE2 3.43Å; E447-K451 IonicContact OE1-NZ 3.58Å
448N84.5Confident90Very high76 Ų7644.7 Ų44.741%0.40623%0.228SC..THydrogen-bonded Turntrans-91.2-12.4-178.56835.2000114.2Q443 T444 T445Q443-N448 PolarHBondContact O-ND2 3.37Å; T444-N448 WeakPolarHBondContact CA-OD1 3.14Å; T445-N448 PolarHBondContact N-OD1 3.01Å; T445-N448 PolarHBondContact O-N 2.78Å; T445-N448 PolarHBondContact O-OD1 3.32Å; T445-N448 PolarHBondContact OG1-N 2.94Å
449T90.6Very high90Very high0 Ų045.6 Ų45.60%023%0.233CC..BIsolated β-bridgetrans-80.4163.5166.159.40000112.3L409 T444 T445 K451 Y456 Q465L409-T449 HydrophobicContact CD1-CG2 4.46Å; T444-T449 HydrophobicContact CG2-CG2 4.27Å; T445-T449 WeakPolarHBondContact O-CG2 3.33Å; T445-T449 PolarHBondContact O-N 2.94Å; T445-T449 PolarHBondContact O-OG1 3.11Å; T445-T449 VanDerWaalsContact O-OG1 3.07Å; T449-K451 PolarHBondContact O-N 2.93Å; T449-Y456 WeakPolarHBondContact CB-OH 3.32Å; T449-Q465 PolarHBondContact O-NE2 3.08Å
450S91.3Very high90.3Very high23 Ų2341 Ų4116%0.16121%0.211CC..  trans-62.3129176.9172.50000111K452 Y453 Y456 T462 R463S450-K452 VanDerWaalsContact C-N 3.29Å; S450-K452 PolarHBondContact O-N 2.99Å; S450-K452 PolarHBondContact OG-N 3.5Å; S450-Y453 WeakPolarHBondContact O-CD1 3.38Å; S450-Y453 VanDerWaalsContact O-CE1 3.27Å; S450-Y453 WeakPolarHBondContact O-CE1 3.48Å; S450-Y456 PolarHBondContact N-OH 2.91Å; S450-Y456 WeakPolarHBondContact O-CE1 3.21Å; S450-Y456 VanDerWaalsContact O-CZ 3.31Å; S450-Y456 PolarHBondContact O-OH 2.72Å; S450-T462 WeakPolarHBondContact CB-O 3.35Å; S450-T462 PolarHBondContact OG-O 3Å; S450-R463 PolarHBondContact N-O 2.77Å
451K90.8Very high90.6Very high109 Ų10944.7 Ų44.747%0.47423%0.225SC..SBendtrans-76.2-13.2177.2-62.2-66.1-168.2179.10113.6P446 E447 T449 Y453P446-K451 WeakPolarHBondContact O-CD 3.33Å; P446-K451 VanDerWaalsContact O-CE 3.22Å; P446-K451 WeakPolarHBondContact O-CE 3.44Å; P446-K451 PolarHBondContact O-NZ 3.08Å; E447-K451 IonicContact OE1-NZ 3.58Å; T449-K451 PolarHBondContact O-N 2.93Å; K451-Y453 VanDerWaalsContact C-N 3.26Å; K451-Y453 WeakPolarHBondContact CD-OH 3.33Å; K451-Y453 WeakPolarHBondContact O-CD2 3.43Å; K451-Y453 PolarHBondContact O-N 3.23Å
452K91.8Very high90.8Very high138 Ų13846.6 Ų46.660%0.624%0.237SC*.  trans-80.367.8-178.6-61.1-165.5176.8-163.90111.5S450 S454 L455 Y456S450-K452 VanDerWaalsContact C-N 3.29Å; S450-K452 PolarHBondContact O-N 2.99Å; S450-K452 PolarHBondContact OG-N 3.5Å; K452-S454 VanDerWaalsContact C-N 3.27Å; K452-S454 PolarHBondContact O-N 3.39Å; K452-L455 HydrophobicContact CB-CB 4.49Å; K452-L455 HydrophobicContact CB-CD1 4.09Å; K452-L455 HydrophobicContact CB-CG 4.35Å; K452-L455 HydrophobicContact CD-CD1 3.96Å; K452-L455 PolarHBondContact O-N 3.33Å; K452-Y456 WeakPolarHBondContact O-CD1 3.45Å
453Y92.7Very high91.5Very high23 Ų2345.4 Ų45.49%0.0923%0.229CC..G310 helixtrans-62.6-31.4-171.7-49.9-48.1000113.5P129 F130 S450 K451 L455 Y456 F1056P129-Y453 HydrophobicContact CB-CD2 4.11Å; P129-Y453 HydrophobicContact CB-CE2 3.56Å; F130-Y453 HydrophobicContact CB-CD1 3.36Å; F130-Y453 HydrophobicContact CB-CE1 3.89Å; F130-Y453 HydrophobicContact CB-CG 3.85Å; S450-Y453 WeakPolarHBondContact O-CD1 3.38Å; S450-Y453 VanDerWaalsContact O-CE1 3.27Å; S450-Y453 WeakPolarHBondContact O-CE1 3.48Å; K451-Y453 VanDerWaalsContact C-N 3.26Å; K451-Y453 WeakPolarHBondContact CD-OH 3.33Å; K451-Y453 WeakPolarHBondContact O-CD2 3.43Å; K451-Y453 PolarHBondContact O-N 3.23Å; Y453-L455 PolarHBondContact O-N 2.88Å; Y453-L455 VanDerWaalsContact O-N 3.12Å; Y453-Y456 AromaticContact CD1-CE1 3.88Å; Y453-Y456 HydrophobicContact CD1-CE1 3.88Å; Y453-Y456 AromaticContact CD1-CZ 3.92Å; Y453-Y456 WeakPolarHBondContact O-CB 3.33Å; Y453-Y456 PolarHBondContact O-N 2.81Å; Y453-Y456 VanDerWaalsContact O-N 3.07Å; Y453-F1056 HydrophobicContact CD2-CE1 4.25Å
454S90.1Very high92.1Very high52 Ų5242.5 Ų42.536%0.36422%0.215SC..G310 helixtrans-60.9-13.3173.146.40000114.4K452 D1057K452-S454 VanDerWaalsContact C-N 3.27Å; K452-S454 PolarHBondContact O-N 3.39Å; S454-D1057 WeakPolarHBondContact CB-OD2 3.21Å; S454-D1057 PolarHBondContact OG-OD2 2.93Å
455L92.4Very high91.9Very high106 Ų10647.9 Ų47.956%0.55524%0.24SC*.G310 helixtrans-107.58.6176.7-55.1-179.8000113.1K452 Y453 S457 T462K452-L455 HydrophobicContact CB-CB 4.49Å; K452-L455 HydrophobicContact CB-CD1 4.09Å; K452-L455 HydrophobicContact CB-CG 4.35Å; K452-L455 HydrophobicContact CD-CD1 3.96Å; K452-L455 PolarHBondContact O-N 3.33Å; Y453-L455 PolarHBondContact O-N 2.88Å; Y453-L455 VanDerWaalsContact O-N 3.12Å; L455-S457 PolarHBondContact O-N 2.75Å; L455-S457 VanDerWaalsContact O-N 3.16Å; L455-T462 VanDerWaalsContact O-CB 3.24Å; L455-T462 WeakPolarHBondContact O-CB 3.39Å; L455-T462 PolarHBondContact O-OG1 3.04Å
456Y96.9Very high91.7Very high8 Ų853.9 Ų53.93%0.03126%0.258CS..  trans-71.5109.6-176.9-91.141.9000112.4R70 F130 T449 S450 K452 Y453 R463R70-Y456 PolarHBondContact NH1-O 3.5Å; R70-Y456 PolarHBondContact NH2-O 3.39Å; F130-Y456 HydrophobicContact CB-CD2 4.01Å; F130-Y456 HydrophobicContact CB-CE2 3.73Å; F130-Y456 HydrophobicContact CD1-CE2 4.19Å; F130-Y456 AromaticContact CD2-CD2 3.65Å; F130-Y456 HydrophobicContact CD2-CD2 3.65Å; F130-Y456 AromaticContact CD2-CE2 3.67Å; F130-Y456 HydrophobicContact CD2-CE2 3.67Å; F130-Y456 HydrophobicContact CE2-CD2 4.39Å; F130-Y456 HydrophobicContact CE2-CE2 4.35Å; F130-Y456 AromaticContact CG-CD2 3.97Å; F130-Y456 HydrophobicContact CG-CD2 3.97Å; F130-Y456 AromaticContact CG-CE2 3.59Å; F130-Y456 HydrophobicContact CG-CE2 3.59Å; T449-Y456 WeakPolarHBondContact CB-OH 3.32Å; S450-Y456 PolarHBondContact N-OH 2.91Å; S450-Y456 WeakPolarHBondContact O-CE1 3.21Å; S450-Y456 VanDerWaalsContact O-CZ 3.31Å; S450-Y456 PolarHBondContact O-OH 2.72Å; K452-Y456 WeakPolarHBondContact O-CD1 3.45Å; Y453-Y456 AromaticContact CD1-CE1 3.88Å; Y453-Y456 HydrophobicContact CD1-CE1 3.88Å; Y453-Y456 AromaticContact CD1-CZ 3.92Å; Y453-Y456 WeakPolarHBondContact O-CB 3.33Å; Y453-Y456 PolarHBondContact O-N 2.81Å; Y453-Y456 VanDerWaalsContact O-N 3.07Å; Y456-R463 HydrophobicContact CD1-CG 4.32Å; Y456-R463 HydrophobicContact CD2-CG 3.7Å; Y456-R463 HydrophobicContact CE1-CG 4.49Å; Y456-R463 HydrophobicContact CE2-CB 4.19Å; Y456-R463 HydrophobicContact CE2-CG 3.86Å; Y456-R463 HydrophobicContact CG-CG 3.94Å
457S97.3Very high92Very high11 Ų1154.7 Ų54.78%0.07726%0.26CS..  trans-121.8-178.7175.5-163.30000111.3Q73 V75 L455 D459 T462 R463Q73-S457 PolarHBondContact OE1-OG 3.24Å; V75-S457 WeakPolarHBondContact CG2-OG 3.38Å; L455-S457 PolarHBondContact O-N 2.75Å; L455-S457 VanDerWaalsContact O-N 3.16Å; S457-D459 VanDerWaalsContact C-N 3.28Å; S457-D459 PolarHBondContact O-N 3.22Å; S457-T462 PolarHBondContact N-OG1 3.13Å; S457-T462 VanDerWaalsContact N-OG1 3.1Å; S457-R463 WeakPolarHBondContact O-CD 3.45Å; S457-R463 PolarHBondContact O-NE 2.95Å
458I98.1Very high92.2Very high0 Ų055.6 Ų55.60%027%0.268CS..SBendtrans-67.2-26.2176.454.6166.1000112.7V75 Y76 E102 L106 F412 A415 W416 P460 R463V75-I458 HydrophobicContact CB-CD1 4.07Å; V75-I458 HydrophobicContact CB-CG1 3.83Å; V75-I458 HydrophobicContact CG1-CG1 4.36Å; V75-I458 HydrophobicContact CG2-CD1 4.07Å; V75-I458 HydrophobicContact CG2-CG1 3.63Å; Y76-I458 HydrophobicContact CD1-CD1 4.41Å; Y76-I458 HydrophobicContact CE1-CD1 4.05Å; Y76-I458 HydrophobicContact CE1-CG1 4.28Å; Y76-I458 HydrophobicContact CE1-CG2 4.44Å; E102-I458 HydrophobicContact CG-CG2 4.25Å; E102-I458 WeakPolarHBondContact OE2-CG2 3.34Å; L106-I458 HydrophobicContact CD1-CD1 4.35Å; L106-I458 HydrophobicContact CD2-CD1 3.91Å; L106-I458 HydrophobicContact CG-CD1 4.39Å; F412-I458 HydrophobicContact CB-CG2 4.41Å; F412-I458 HydrophobicContact CD1-CG2 4.06Å; A415-I458 HydrophobicContact CB-CG2 3.8Å; W416-I458 HydrophobicContact CE3-CD1 4.44Å; W416-I458 HydrophobicContact CE3-CG1 4.26Å; I458-P460 VanDerWaalsContact O-CD 3.27Å; I458-P460 WeakPolarHBondContact O-CD 3.21Å; I458-P460 VanDerWaalsContact O-N 3.07Å; I458-R463 PolarHBondContact O-NH2 3.33Å
459D97.3Very high92.4Very high27 Ų2753.8 Ų53.814%0.14426%0.258CS..SBendtrans-57.7115.3171.6-174.7-29.1000109.5W416 S457 K461 T462W416-D459 HydrophobicContact CE3-CB 4.19Å; W416-D459 HydrophobicContact CH2-CB 4.19Å; W416-D459 HydrophobicContact CZ3-CB 3.75Å; S457-D459 VanDerWaalsContact C-N 3.28Å; S457-D459 PolarHBondContact O-N 3.22Å; D459-K461 PolarHBondContact O-N 3.07Å; D459-K461 VanDerWaalsContact O-N 3.09Å; D459-K461 VanDerWaalsContact OD1-CB 3.25Å; D459-K461 WeakPolarHBondContact OD1-CB 3.3Å; D459-K461 WeakPolarHBondContact OD1-CG 3.4Å; D459-K461 PolarHBondContact OD1-N 3.38Å; D459-K461 IonicContact OD1-NZ 2.81Å; D459-K461 IonicContact OD2-NZ 3.58Å; D459-K461 PolarHBondContact OD2-NZ 2.79Å; D459-T462 HydrophobicContact CB-CG2 4.42Å; D459-T462 PolarHBondContact O-N 3.37Å; D459-T462 VanDerWaalsContact O-N 3.11Å; D459-T462 PolarHBondContact O-OG1 2.79Å; D459-T462 VanDerWaalsContact O-OG1 3.1Å
460P97.3Very high92.4Very high0 Ų057.5 Ų57.50%028%0.283CS..G310 helixtrans-62-19.1-175.928.3-39000114.1M437 I458 T462 R463 Y464 L467 L469M437-P460 HydrophobicContact CG-CB 4.15Å; M437-P460 HydrophobicContact CG-CG 4.34Å; M437-P460 HydrophobicContact SD-CB 3.52Å; M437-P460 VanDerWaalsContact SD-CB 3.52Å; M437-P460 HydrophobicContact SD-CG 3.55Å; M437-P460 VanDerWaalsContact SD-CG 3.55Å; I458-P460 VanDerWaalsContact O-CD 3.27Å; I458-P460 WeakPolarHBondContact O-CD 3.21Å; I458-P460 VanDerWaalsContact O-N 3.07Å; P460-T462 VanDerWaalsContact C-N 3.28Å; P460-T462 PolarHBondContact O-N 2.99Å; P460-R463 PolarHBondContact O-N 2.89Å; P460-Y464 HydrophobicContact CB-CD2 3.82Å; P460-Y464 HydrophobicContact CB-CE2 4.05Å; P460-Y464 WeakPolarHBondContact O-CD2 3.32Å; P460-Y464 PolarHBondContact O-N 3.19Å; P460-L467 HydrophobicContact CB-CD2 3.58Å; P460-L467 HydrophobicContact CG-CD2 3.53Å; P460-L469 HydrophobicContact CG-CD2 4.13Å
461K95.7Very high92.3Very high129 Ų12958.2 Ų58.256%0.56129%0.291SS*.G310 helixtrans-65.8-27.9175.3-60170-150.9123.60112.9D459 R463 L467D459-K461 PolarHBondContact O-N 3.07Å; D459-K461 VanDerWaalsContact O-N 3.09Å; D459-K461 VanDerWaalsContact OD1-CB 3.25Å; D459-K461 WeakPolarHBondContact OD1-CB 3.3Å; D459-K461 WeakPolarHBondContact OD1-CG 3.4Å; D459-K461 PolarHBondContact OD1-N 3.38Å; D459-K461 IonicContact OD1-NZ 2.81Å; D459-K461 IonicContact OD2-NZ 3.58Å; D459-K461 PolarHBondContact OD2-NZ 2.79Å; K461-R463 PolarHBondContact O-N 3.22Å; K461-L467 HydrophobicContact CG-CD2 4.1Å
462T96.4Very high92.3Very high41 Ų4154.2 Ų54.225%0.25227%0.274SS..G310 helixtrans-71.9-18.2177.572.60000111.8S450 L455 S457 D459 P460S450-T462 WeakPolarHBondContact CB-O 3.35Å; S450-T462 PolarHBondContact OG-O 3Å; L455-T462 VanDerWaalsContact O-CB 3.24Å; L455-T462 WeakPolarHBondContact O-CB 3.39Å; L455-T462 PolarHBondContact O-OG1 3.04Å; S457-T462 PolarHBondContact N-OG1 3.13Å; S457-T462 VanDerWaalsContact N-OG1 3.1Å; D459-T462 HydrophobicContact CB-CG2 4.42Å; D459-T462 PolarHBondContact O-N 3.37Å; D459-T462 VanDerWaalsContact O-N 3.11Å; D459-T462 PolarHBondContact O-OG1 2.79Å; D459-T462 VanDerWaalsContact O-OG1 3.1Å; P460-T462 VanDerWaalsContact C-N 3.28Å; P460-T462 PolarHBondContact O-N 2.99Å
463R96.6Very high92.2Very high0 Ų053.2 Ų53.20%027%0.272CS..THydrogen-bonded Turntrans-109.8-42.4-169.9-58.4-177.5-81.1109.7-4.7112.8L409 F412 D413 S450 Y456 S457 I458 P460 K461L409-R463 HydrophobicContact CD2-CB 4.31Å; F412-R463 VanDerWaalsContact CB-CZ 3.42Å; D413-R463 IonicContact OD1-CZ 2.69Å; D413-R463 VanDerWaalsContact OD1-CZ 3.22Å; D413-R463 IonicContact OD1-NH1 2.92Å; D413-R463 PolarHBondContact OD1-NH1 3.45Å; D413-R463 IonicContact OD1-NH2 3.08Å; D413-R463 PolarHBondContact OD1-NH2 2.68Å; S450-R463 PolarHBondContact N-O 2.77Å; Y456-R463 HydrophobicContact CD1-CG 4.32Å; Y456-R463 HydrophobicContact CD2-CG 3.7Å; Y456-R463 HydrophobicContact CE1-CG 4.49Å; Y456-R463 HydrophobicContact CE2-CB 4.19Å; Y456-R463 HydrophobicContact CE2-CG 3.86Å; Y456-R463 HydrophobicContact CG-CG 3.94Å; S457-R463 WeakPolarHBondContact O-CD 3.45Å; S457-R463 PolarHBondContact O-NE 2.95Å; I458-R463 PolarHBondContact O-NH2 3.33Å; P460-R463 PolarHBondContact O-N 2.89Å; K461-R463 PolarHBondContact O-N 3.22Å
464Y94.4Very high92.2Very high11 Ų1154.9 Ų54.94%0.04329%0.285CS..BIsolated β-bridgetrans-107.1110.8-174.8-55.7-58000112.2L409 D413 L440 T444 P460 R466 L467L409-Y464 HydrophobicContact CD1-CE1 4.39Å; L409-Y464 HydrophobicContact CD2-CE1 4.38Å; D413-Y464 WeakPolarHBondContact OD1-CE2 3.29Å; D413-Y464 PolarHBondContact OD1-OH 3.3Å; D413-Y464 PolarHBondContact OD2-OH 3.15Å; L440-Y464 HydrophobicContact CD1-CD1 4.24Å; L440-Y464 HydrophobicContact CD1-CD2 4.22Å; L440-Y464 HydrophobicContact CD1-CG 3.9Å; T444-Y464 HydrophobicContact CG2-CE1 3.91Å; P460-Y464 HydrophobicContact CB-CD2 3.82Å; P460-Y464 HydrophobicContact CB-CE2 4.05Å; P460-Y464 WeakPolarHBondContact O-CD2 3.32Å; P460-Y464 PolarHBondContact O-N 3.19Å; Y464-R466 PolarHBondContact O-N 3.49Å; Y464-R466 VanDerWaalsContact O-N 3.08Å; Y464-L467 HydrophobicContact CD2-CD1 4.17Å; Y464-L467 PolarHBondContact O-N 2.94Å
465Q83.4Confident92.2Very high116 Ų11662.9 Ų62.954%0.54231%0.307SS..THydrogen-bonded Turntrans-62.4-20.4-171.6-56.9-175.415.900115.5T449T449-Q465 PolarHBondContact O-NE2 3.08Å
466R80.8Confident92Very high170 Ų17062.8 Ų62.864%0.64230%0.303SS*.THydrogen-bonded Turntrans-132.837.6-173.2-62.3-176.3179.6-161.8-4.7112.5Y464 N468Y464-R466 PolarHBondContact O-N 3.49Å; Y464-R466 VanDerWaalsContact O-N 3.08Å; R466-N468 PolarHBondContact O-N 3.45Å
467L90.1Very high91.8Very high38 Ų3862.5 Ų62.520%0.19930%0.303CS..  trans-67.8125.3-175.6-176.166.8000112.8M437 L440 P460 K461 Y464 L469M437-L467 HydrophobicContact CG-CD1 4.26Å; L440-L467 HydrophobicContact CD1-CD1 3.85Å; P460-L467 HydrophobicContact CB-CD2 3.58Å; P460-L467 HydrophobicContact CG-CD2 3.53Å; K461-L467 HydrophobicContact CG-CD2 4.1Å; Y464-L467 HydrophobicContact CD2-CD1 4.17Å; Y464-L467 PolarHBondContact O-N 2.94Å; L467-L469 HydrophobicContact CD1-CD2 4.27Å; L467-L469 HydrophobicContact CD2-CD1 4.36Å; L467-L469 HydrophobicContact CD2-CD2 3.92Å; L467-L469 HydrophobicContact CD2-CG 3.82Å; L467-L469 HydrophobicContact CG-CD2 4.26Å; L467-L469 HydrophobicContact CG-CG 4.08Å
468N87.7Confident91.6Very high90 Ų9068.4 Ų68.448%0.48133%0.329SS..  trans-114.598.5162.2178.314.8000109.3R466 S470 A471R466-N468 PolarHBondContact O-N 3.45Å; N468-S470 PolarHBondContact O-N 2.88Å; N468-S470 VanDerWaalsContact O-N 3.16Å; N468-S470 WeakPolarHBondContact OD1-CA 3.22Å; N468-S470 WeakPolarHBondContact OD1-CB 3.49Å; N468-S470 PolarHBondContact OD1-N 3.47Å; N468-A471 HydrophobicContact CB-CB 4.25Å; N468-A471 PolarHBondContact ND2-N 3.28Å; N468-A471 VanDerWaalsContact O-CB 3.28Å; N468-A471 WeakPolarHBondContact O-CB 3.34Å; N468-A471 PolarHBondContact O-N 3.39Å; N468-A471 VanDerWaalsContact O-N 3.11Å; N468-A471 PolarHBondContact OD1-N 2.95Å
469L89.7Confident91.2Very high38 Ų3874.3 Ų74.320%0.19936%0.356CS..THydrogen-bonded Turntrans-61.7-20.1176.2-74172.3000113.1E433 S436 M437 P460 L467E433-L469 HydrophobicContact CB-CD2 4.36Å; E433-L469 HydrophobicContact CG-CB 4.43Å; E433-L469 HydrophobicContact CG-CD2 4.49Å; S436-L469 VanDerWaalsContact CB-O 3.26Å; S436-L469 WeakPolarHBondContact CB-O 3.34Å; S436-L469 PolarHBondContact OG-O 2.85Å; M437-L469 HydrophobicContact CG-CD2 3.93Å; M437-L469 HydrophobicContact SD-CD2 4.41Å; P460-L469 HydrophobicContact CG-CD2 4.13Å; L467-L469 HydrophobicContact CD1-CD2 4.27Å; L467-L469 HydrophobicContact CD2-CD1 4.36Å; L467-L469 HydrophobicContact CD2-CD2 3.92Å; L467-L469 HydrophobicContact CD2-CG 3.82Å; L467-L469 HydrophobicContact CG-CD2 4.26Å; L467-L469 HydrophobicContact CG-CG 4.08Å
470S89.5Confident91.1Very high77 Ų7773.6 Ų73.654%0.53835%0.353SS..THydrogen-bonded Turntrans-96.214.3178-53.40000113.6N468 I472 H473N468-S470 PolarHBondContact O-N 2.88Å; N468-S470 VanDerWaalsContact O-N 3.16Å; N468-S470 WeakPolarHBondContact OD1-CA 3.22Å; N468-S470 WeakPolarHBondContact OD1-CB 3.49Å; N468-S470 PolarHBondContact OD1-N 3.47Å; S470-I472 VanDerWaalsContact C-N 3.3Å; S470-I472 PolarHBondContact O-N 2.92Å; S470-H473 PolarHBondContact O-CE1 3.48Å; S470-H473 VanDerWaalsContact O-CE1 3.25Å; S470-H473 PolarHBondContact O-ND1 2.9Å
471A89.5Confident90.9Very high39 Ų3975.6 Ų75.632%0.32236%0.36SS..SBendtrans-63.9-35.7178.800000112.6S436 N468S436-A471 PolarHBondContact OG-N 2.82Å; N468-A471 HydrophobicContact CB-CB 4.25Å; N468-A471 PolarHBondContact ND2-N 3.28Å; N468-A471 VanDerWaalsContact O-CB 3.28Å; N468-A471 WeakPolarHBondContact O-CB 3.34Å; N468-A471 PolarHBondContact O-N 3.39Å; N468-A471 VanDerWaalsContact O-N 3.11Å; N468-A471 PolarHBondContact OD1-N 2.95Å
472I90.4Very high90.7Very high24 Ų2471.8 Ų71.812%0.12335%0.346CS..SBendtrans-101.1134.2165.7-66.8-60.1000109.1A432 E435 S436 S470 Q476 V477A432-I472 HydrophobicContact CB-CG2 4.22Å; E435-I472 HydrophobicContact CB-CB 4.44Å; E435-I472 HydrophobicContact CB-CG1 4.19Å; E435-I472 HydrophobicContact CB-CG2 4.26Å; S436-I472 PolarHBondContact OG-N 2.96Å; S470-I472 VanDerWaalsContact C-N 3.3Å; S470-I472 PolarHBondContact O-N 2.92Å; I472-Q476 HydrophobicContact CG2-CB 4.28Å; I472-V477 HydrophobicContact CG2-CG1 3.51Å
473H89.9Confident90.3Very high117 Ų11774.9 Ų74.954%0.54236%0.358SS..  trans-97.9152.7173.7-65.1-29.6000111.9S470 R475 Q476S470-H473 PolarHBondContact O-CE1 3.48Å; S470-H473 VanDerWaalsContact O-CE1 3.25Å; S470-H473 PolarHBondContact O-ND1 2.9Å; H473-R475 PolarHBondContact O-N 3.25Å; H473-Q476 WeakPolarHBondContact O-CB 3.28Å; H473-Q476 PolarHBondContact O-N 2.98Å
474T92.3Very high89Confident59 Ų5981 Ų8136%0.36238%0.384SS..G310 helixtrans-53.2-27-17957.30000114.8M428 A432 V477M428-T474 HydrophobicContact CB-CG2 4.24Å; M428-T474 HydrophobicContact CG-CG2 4.39Å; M428-T474 WeakPolarHBondContact CG-O 3.25Å; A432-T474 HydrophobicContact CB-CG2 4.33Å; T474-V477 WeakPolarHBondContact O-CG2 3.5Å
475R90.1Very high86.8Confident220 Ų22084.4 Ų84.483%0.8341%0.409SS*.G310 helixtrans-71.4-27.6175.2-63.1-175.6-177.31791.9113.7H473 V477H473-R475 PolarHBondContact O-N 3.25Å; R475-V477 VanDerWaalsContact C-N 3.31Å
476Q88.4Confident84.8Confident103 Ų10385.5 Ų85.548%0.48141%0.414SS..G310 helixtrans-82.4-9.8-179-65.3166.6-85.700112.9I472 H473 H479I472-Q476 HydrophobicContact CG2-CB 4.28Å; H473-Q476 WeakPolarHBondContact O-CB 3.28Å; H473-Q476 PolarHBondContact O-N 2.98Å; Q476-H479 PolarHBondContact O-CE1 2.94Å; Q476-H479 PolarHBondContact O-ND1 3.23Å
477V93.5Very high82.6Confident3 Ų382.8 Ų82.82%0.01842%0.422CS..G310 helixtrans-116.69.2-180-65.90000112.9M428 I431 A432 E435 I472 T474 R475 H479 L480M428-V477 HydrophobicContact CG-CG2 4.12Å; M428-V477 HydrophobicContact SD-CG2 4.26Å; I431-V477 HydrophobicContact CB-CG2 4.31Å; I431-V477 HydrophobicContact CG2-CB 3.79Å; I431-V477 HydrophobicContact CG2-CG1 4.07Å; I431-V477 HydrophobicContact CG2-CG2 4.13Å; A432-V477 HydrophobicContact CB-CG2 4.03Å; E435-V477 HydrophobicContact CB-CG1 4.36Å; E435-V477 HydrophobicContact CG-CG1 3.94Å; I472-V477 HydrophobicContact CG2-CG1 3.51Å; T474-V477 WeakPolarHBondContact O-CG2 3.5Å; R475-V477 VanDerWaalsContact C-N 3.31Å; V477-H479 PolarHBondContact O-N 2.86Å; V477-L480 HydrophobicContact CB-CD1 4Å; V477-L480 HydrophobicContact CB-CG 4.45Å; V477-L480 HydrophobicContact CG1-CD1 3.98Å; V477-L480 VanDerWaalsContact O-CB 3.3Å; V477-L480 WeakPolarHBondContact O-CB 3.49Å; V477-L480 PolarHBondContact O-N 3.1Å
478Q92.4Very high80.1Confident135 Ų13588.7 Ų88.763%0.63145%0.453SS*.G310 helixtrans-62.9-26.1-177.7-171.9172.4-3.100112.8L480 Y481Q478-L480 PolarHBondContact O-N 3.16Å; Q478-Y481 PolarHBondContact O-N 3.42Å
479H90.9Very high77.5Confident124 Ų12488.7 Ų88.757%0.57446%0.456SS*.G310 helixtrans-72.4-10.9173.166.3-70.3000114H372 Q476 V477 Y481H372-H479 AromaticContact CD2-NE2 3.86Å; H372-H479 AromaticContact CE1-NE2 3.6Å; H372-H479 AromaticContact NE2-CE1 3.9Å; H372-H479 AromaticContact NE2-NE2 3.05Å; H372-H479 PolarHBondContact NE2-NE2 2.84Å; Q476-H479 PolarHBondContact O-CE1 2.94Å; Q476-H479 PolarHBondContact O-ND1 3.23Å; V477-H479 PolarHBondContact O-N 2.86Å; H479-Y481 VanDerWaalsContact C-N 3.32Å
480L93.8Very high75.2Confident12 Ų1294.3 Ų94.36%0.06348%0.484CS..G310 helixtrans-90.85.7175.7-53.5178.8000112.6H372 L375 V376 I431 E435 V477 Q478H372-L480 HydrophobicContact CB-CD1 4.12Å; H372-L480 HydrophobicContact CB-CD2 4.14Å; H372-L480 VanDerWaalsContact CD2-CD2 3.5Å; H372-L480 WeakPolarHBondContact CD2-CD2 3.43Å; L375-L480 CarbonylContact C-O 3.58Å; L375-L480 WeakPolarHBondContact CA-O 3.36Å; L375-L480 HydrophobicContact CB-CB 4.17Å; L375-L480 WeakPolarHBondContact CB-O 3.4Å; V376-L480 PolarHBondContact N-O 3.39Å; I431-L480 HydrophobicContact CD1-CB 4.43Å; I431-L480 HydrophobicContact CG2-CB 4.09Å; I431-L480 HydrophobicContact CG2-CD1 3.72Å; E435-L480 HydrophobicContact CG-CD1 4.17Å; V477-L480 HydrophobicContact CB-CD1 4Å; V477-L480 HydrophobicContact CB-CG 4.45Å; V477-L480 HydrophobicContact CG1-CD1 3.98Å; V477-L480 VanDerWaalsContact O-CB 3.3Å; V477-L480 WeakPolarHBondContact O-CB 3.49Å; V477-L480 PolarHBondContact O-N 3.1Å; Q478-L480 PolarHBondContact O-N 3.16Å
481Y94.4Very high72.6Confident42 Ų42100.2 Ų100.217%0.16550%0.5CS..EExtended strand (participates in β ladder)trans-111.493.6173.5-159.2-82.6000110.2V376 E378 K383 H427 M428 I431 Q478 H479 E483V376-Y481 HydrophobicContact CB-CD2 3.79Å; V376-Y481 HydrophobicContact CB-CE2 3.97Å; V376-Y481 HydrophobicContact CG1-CD2 3.87Å; V376-Y481 HydrophobicContact CG1-CE2 3.52Å; V376-Y481 WeakPolarHBondContact O-CA 3.3Å; E378-Y481 HydrophobicContact CB-CE1 4.15Å; E378-Y481 WeakPolarHBondContact OE2-CE1 3.19Å; E378-Y481 PolarHBondContact OE2-OH 3.45Å; K383-Y481 WeakPolarHBondContact CE-OH 3.4Å; H427-Y481 HydrophobicContact CB-CE2 3.95Å; H427-Y481 AromaticContact ND1-CE2 3.94Å; M428-Y481 HydrophobicContact CE-CD1 4.49Å; M428-Y481 HydrophobicContact CE-CD2 3.69Å; M428-Y481 HydrophobicContact CE-CG 3.66Å; I431-Y481 HydrophobicContact CD1-CD2 4.41Å; Q478-Y481 PolarHBondContact O-N 3.42Å; H479-Y481 VanDerWaalsContact C-N 3.32Å; Y481-E483 HydrophobicContact CD1-CB 4.12Å; Y481-E483 HydrophobicContact CE1-CB 4.14Å; Y481-E483 PolarHBondContact O-N 3.03Å; Y481-E483 VanDerWaalsContact O-N 3.13Å
482D91.3Very high70.2Confident48 Ų48105.1 Ų105.126%0.25752%0.52SS..EExtended strand (participates in β ladder)trans-80.885.5179.9169.712.8000110.3V376 R377 E378 R379V376-D482 PolarHBondContact O-N 3Å; R377-D482 HydrophobicContact CG-CB 4.24Å; E378-D482 PolarHBondContact N-O 3.4Å; R379-D482 IonicContact CZ-OD1 3.21Å; R379-D482 IonicContact CZ-OD2 2.72Å; R379-D482 PolarHBondContact NH1-O 2.88Å; R379-D482 IonicContact NH1-OD1 3.43Å; R379-D482 PolarHBondContact NH1-OD1 3.09Å; R379-D482 IonicContact NH1-OD2 3.46Å; R379-D482 PolarHBondContact NH1-OD2 2.88Å; R379-D482 IonicContact NH2-OD1 3.45Å; R379-D482 PolarHBondContact NH2-OD1 2.95Å; R379-D482 IonicContact NH2-OD2 2.74Å; R379-D482 PolarHBondContact NH2-OD2 2.93Å
483E87.3Confident67.4Low107 Ų107112.8 Ų112.850%0.555%0.553SS.*EExtended strand (participates in β ladder)trans-94.3101.1170.9-166-157.3130.900111.2E378 Y481 S485E378-E483 HydrophobicContact CB-CG 4.35Å; E378-E483 HydrophobicContact CG-CG 4.43Å; Y481-E483 HydrophobicContact CD1-CB 4.12Å; Y481-E483 HydrophobicContact CE1-CB 4.14Å; Y481-E483 PolarHBondContact O-N 3.03Å; Y481-E483 VanDerWaalsContact O-N 3.13Å; E483-S485 PolarHBondContact O-N 2.99Å; E483-S485 WeakPolarHBondContact OE1-CB 3.41Å; E483-S485 PolarHBondContact OE1-OG 3.01Å
484K69.7Low65Low129 Ų129115.7 Ų115.756%0.56157%0.567SS**  trans-90.874.1166.9-67.5-177.7-163.6170.60110.4E378 R379E378-K484 PolarHBondContact O-N 3.39Å; R379-K484 VanDerWaalsContact NH2-CE 3.3Å
485S48.7Very low62.5Low81 Ų81119.7 Ų119.757%0.56659%0.586SS**  trans-69.5156.5159.839.60000110.7E483 S487E483-S485 PolarHBondContact O-N 2.99Å; E483-S485 WeakPolarHBondContact OE1-CB 3.41Å; E483-S485 PolarHBondContact OE1-OG 3.01Å; S485-S487 PolarHBondContact O-N 3.22Å; S485-S487 VanDerWaalsContact O-N 3.17Å
486H40.9Very low60.1Low139 Ų139121.2 Ų121.264%0.64459%0.592SS**  trans-57.3113.7-153.2-66.6-69.1000116.7L488H486-L488 PolarHBondContact O-N 2.75Å
487S34.1Very low57.3Low114 Ų114121.2 Ų121.280%0.79761%0.609SS**THydrogen-bonded Turntrans-70.625164.2-156.70000113.8S485S485-S487 PolarHBondContact O-N 3.22Å; S485-S487 VanDerWaalsContact O-N 3.17Å
488L37.8Very low54.4Low162 Ų162129.2 Ų129.285%0.84865%0.646SS**THydrogen-bonded Turntrans-124.61.8-177.1-70.3175.8000113.7H486H486-L488 PolarHBondContact O-N 2.75Å
489T33.6Very low51.4Low89 Ų89129.7 Ų129.755%0.54665%0.65SS.*  trans-110.8-0.7-177.4-260000114K491T489-K491 PolarHBondContact O-N 3.01Å
490I41.2Very low48.8Very low157 Ų157133.6 Ų133.681%0.80566%0.659SS**THydrogen-bonded Turntrans-7968172.6-49179.3000109.7
491K33.9Very low45.9Very low200 Ų200140.3 Ų140.387%0.8769%0.69SS**THydrogen-bonded Turntrans-169.7-8.6165.8-113.8163.7-171177.70115.8T489T489-K491 PolarHBondContact O-N 3.01Å
492L39.9Very low43.2Very low142 Ų142144.8 Ų144.874%0.74372%0.717SS**SBendtrans-135113.6177.7-73.9174000111.3
493K30.8Very low41.1Very low185 Ų185147.8 Ų147.880%0.80474%0.742SS**  trans72.3124.4-176.2-50.9168.3-173.7169.70113.9
494E40.5Very low39.1Very low179 Ų179148.5 Ų148.584%0.83675%0.747SS**  cis49.799.94.7-65.7-154.2147.100116.4
495N39.2Very low38.2Very low143 Ų143144.9 Ų144.977%0.76574%0.738SS**SBendtrans88.1126.5-175.3-56.5-76000116.2
496R40.7Very low38.8Very low252 Ų252143.2 Ų143.295%0.95173%0.734SS**  trans73.673.5168.8-54.4-176.1-176.3-175.31.1117
497A28.1Very low40.3Very low102 Ų102141.5 Ų141.584%0.84373%0.725SS**  trans-126102.2149.800000109.5
498H32.7Very low42.1Very low172 Ų172139.4 Ų139.480%0.79670%0.704SS**  trans-127149.6171.7-116.528.2000107.1
499M30.6Very low44.2Very low144 Ų144136.3 Ų136.371%0.70969%0.685SS**  trans71.2127.6-178.1-53-60.3109.500114.2
500R35Very low46.7Very low206 Ų206132.3 Ų132.378%0.77766%0.661SS**  cis-144.7150.7-4.3-88.4145.8-169.9-178.72109.2
501Q34.1Very low48.9Very low153 Ų153126.2 Ų126.272%0.71563%0.63SS**  trans-149.274.8174.3-85.3-167.1-25.700111.8S503Q501-S503 PolarHBondContact O-N 2.94Å
502D36.3Very low51.3Low136 Ų136124.6 Ų124.673%0.72762%0.618SS**THydrogen-bonded Turntrans-8874.7-174.9-65.6-55.6000113.3
503S47.4Very low53.7Low112 Ų112119.6 Ų119.678%0.78359%0.589SS**THydrogen-bonded Turntrans-172.6-31.2152.146.30000112.2Q501 S505Q501-S503 PolarHBondContact O-N 2.94Å; S503-S505 VanDerWaalsContact C-N 3.26Å
504M45.3Very low56.5Low121 Ų121110.8 Ų110.860%0.59655%0.551SS**THydrogen-bonded Turntrans-81.8-0.8168.2-71.6-146.471.300113.9N508M504-N508 PolarHBondContact O-ND2 3.44Å
505S52.4Low59Low54 Ų54105.5 Ų105.538%0.37853%0.526SS..Hα-helixtrans-61.3-54.7-178.1-167.50000112.4S503 F507 N508 E509S503-S505 VanDerWaalsContact C-N 3.26Å; S505-F507 PolarHBondContact O-N 3.5Å; S505-N508 CarbonylContact O-C 3.6Å; S505-N508 PolarHBondContact O-N 3.15Å; S505-E509 WeakPolarHBondContact O-CB 3.26Å; S505-E509 PolarHBondContact O-N 3.34Å
506G60.6Low61.3Low46 Ų46103.9 Ų103.947%0.47452%0.518SS..Hα-helixtrans-56.7-42.8-167.300000115.9E509 L510G506-E509 PolarHBondContact O-N 3.11Å; G506-L510 WeakPolarHBondContact O-CB 3.4Å; G506-L510 PolarHBondContact O-N 3.31Å
507F72.7Confident63.6Low103 Ų10393 Ų9345%0.45248%0.479SS..Hα-helixtrans-66.9-39.8176.2-68.8-85.1000112.3S505 L511 F529 V594S505-F507 PolarHBondContact O-N 3.5Å; F507-L511 WeakPolarHBondContact O-CB 3.39Å; F507-L511 PolarHBondContact O-N 3.34Å; F507-F529 WeakPolarHBondContact O-CZ 3.28Å; F507-V594 HydrophobicContact CD1-CG1 3.99Å; F507-V594 HydrophobicContact CD1-CG2 4.01Å; F507-V594 HydrophobicContact CE1-CB 4.35Å; F507-V594 HydrophobicContact CE1-CG1 3.76Å; F507-V594 HydrophobicContact CE1-CG2 4.07Å
508N72.5Confident66.5Low69 Ų6988.4 Ų88.437%0.36944%0.44SS..Hα-helixtrans-74.3-32.2178.6-72.6-59.9000111.9M504 S505 R512M504-N508 PolarHBondContact O-ND2 3.44Å; S505-N508 CarbonylContact O-C 3.6Å; S505-N508 PolarHBondContact O-N 3.15Å; N508-R512 VanDerWaalsContact O-CB 3.32Å; N508-R512 WeakPolarHBondContact O-CB 3.36Å; N508-R512 WeakPolarHBondContact O-CG 3.46Å; N508-R512 PolarHBondContact O-N 3.21Å
509E80.4Confident69.1Low97 Ų9790.1 Ų90.145%0.45344%0.439SS..Hα-helixtrans-67.9-46.5172.8-166.5-151.6120.900110.8S505 G506 L511 R512 W513 K601S505-E509 WeakPolarHBondContact O-CB 3.26Å; S505-E509 PolarHBondContact O-N 3.34Å; G506-E509 PolarHBondContact O-N 3.11Å; E509-L511 VanDerWaalsContact C-N 3.35Å; E509-L511 PolarHBondContact O-N 2.91Å; E509-R512 PolarHBondContact O-N 3.46Å; E509-W513 WeakPolarHBondContact O-CB 3.43Å; E509-W513 PolarHBondContact O-N 3.3Å; E509-K601 IonicContact OE1-NZ 3.12Å; E509-K601 PolarHBondContact OE1-NZ 2.85Å
510L85.8Confident71.5Confident6 Ų686.9 Ų86.93%0.03144%0.443CS..Hα-helixtrans-60.6-43.6173.7-17766.2000111.2G506 W513 C514 F529 V594 L597 K601G506-L510 WeakPolarHBondContact O-CB 3.4Å; G506-L510 PolarHBondContact O-N 3.31Å; L510-W513 HydrophobicContact CD1-CE3 4.17Å; L510-W513 PolarHBondContact O-N 3.42Å; L510-C514 PolarHBondContact O-N 2.93Å; L510-C514 PolarHBondContact O-SG 3.3Å; L510-F529 HydrophobicContact CB-CZ 4.06Å; L510-F529 HydrophobicContact CD2-CE1 3.93Å; L510-F529 HydrophobicContact CD2-CZ 3.92Å; L510-F529 HydrophobicContact CG-CE1 3.98Å; L510-F529 HydrophobicContact CG-CZ 3.93Å; L510-V594 HydrophobicContact CD2-CG1 3.91Å; L510-L597 HydrophobicContact CD1-CB 4.41Å; L510-L597 HydrophobicContact CD2-CB 4.18Å; L510-K601 HydrophobicContact CD1-CB 4.31Å; L510-K601 HydrophobicContact CD1-CD 3.85Å
511L88Confident74Confident28 Ų2879 Ų7915%0.14741%0.414CS..Hα-helixtrans-64.3-45.3179.7-171.464.1000111.3F507 E509 W513 C514 Q515 I526 F529F507-L511 WeakPolarHBondContact O-CB 3.39Å; F507-L511 PolarHBondContact O-N 3.34Å; E509-L511 VanDerWaalsContact C-N 3.35Å; E509-L511 PolarHBondContact O-N 2.91Å; L511-W513 VanDerWaalsContact C-N 3.34Å; L511-W513 PolarHBondContact O-N 3.25Å; L511-C514 PolarHBondContact O-N 3Å; L511-Q515 WeakPolarHBondContact O-CB 3.46Å; L511-Q515 WeakPolarHBondContact O-CG 3.42Å; L511-Q515 PolarHBondContact O-N 3.25Å; L511-I526 HydrophobicContact CD1-CG2 3.8Å; L511-F529 HydrophobicContact CB-CE1 4.4Å; L511-F529 HydrophobicContact CB-CE2 4.04Å; L511-F529 HydrophobicContact CB-CZ 3.65Å; L511-F529 HydrophobicContact CD1-CD1 4.42Å; L511-F529 HydrophobicContact CD1-CE1 4.05Å; L511-F529 HydrophobicContact CD1-CE2 4.26Å; L511-F529 HydrophobicContact CD1-CZ 3.98Å; L511-F529 HydrophobicContact CG-CZ 4.4Å
512R84.9Confident76Confident166 Ų16678 Ų7863%0.62641%0.413SS*.Hα-helixtrans-64.2-36.6174.1-75172.2-178.91682.3112.6N508 E509 Q515 N516N508-R512 VanDerWaalsContact O-CB 3.32Å; N508-R512 WeakPolarHBondContact O-CB 3.36Å; N508-R512 WeakPolarHBondContact O-CG 3.46Å; N508-R512 PolarHBondContact O-N 3.21Å; E509-R512 PolarHBondContact O-N 3.46Å; R512-Q515 PolarHBondContact O-N 2.87Å; R512-N516 VanDerWaalsContact O-CB 3.3Å; R512-N516 WeakPolarHBondContact O-CB 3.46Å; R512-N516 PolarHBondContact O-N 3.34Å; R512-N516 PolarHBondContact O-ND2 2.96Å
513W89.9Confident78.2Confident37 Ų3777.2 Ų77.214%0.1441%0.409CS..Hα-helixtrans-64.8-47.4175.4178.489.9000110.3E509 L510 L511 N516 N517 L542 F546 K601 V604 T605E509-W513 WeakPolarHBondContact O-CB 3.43Å; E509-W513 PolarHBondContact O-N 3.3Å; L510-W513 HydrophobicContact CD1-CE3 4.17Å; L510-W513 PolarHBondContact O-N 3.42Å; L511-W513 VanDerWaalsContact C-N 3.34Å; L511-W513 PolarHBondContact O-N 3.25Å; W513-N516 PolarHBondContact O-N 2.86Å; W513-N517 PolarHBondContact NE1-ND2 3.33Å; W513-N517 PolarHBondContact O-N 3.15Å; W513-N517 VanDerWaalsContact O-N 3.07Å; W513-N517 PolarHBondContact O-ND2 3.43Å; W513-L542 HydrophobicContact CH2-CD1 3.89Å; W513-L542 HydrophobicContact CH2-CD2 4.25Å; W513-L542 HydrophobicContact CH2-CG 4.33Å; W513-L542 HydrophobicContact CZ3-CD1 3.81Å; W513-L542 HydrophobicContact CZ3-CD2 3.95Å; W513-L542 HydrophobicContact CZ3-CG 4.36Å; W513-F546 AromaticContact CH2-CE2 3.81Å; W513-F546 HydrophobicContact CH2-CE2 3.81Å; W513-F546 HydrophobicContact CH2-CZ 4.34Å; W513-F546 AromaticContact CZ2-CE2 3.43Å; W513-F546 HydrophobicContact CZ2-CE2 3.43Å; W513-F546 VanDerWaalsContact CZ2-CE2 3.43Å; W513-F546 AromaticContact CZ2-CZ 3.5Å; W513-F546 HydrophobicContact CZ2-CZ 3.5Å; W513-F546 VanDerWaalsContact CZ2-CZ 3.5Å; W513-K601 HydrophobicContact CD2-CB 4.38Å; W513-K601 HydrophobicContact CD2-CD 3.93Å; W513-K601 HydrophobicContact CD2-CG 3.92Å; W513-K601 HydrophobicContact CE3-CB 4.08Å; W513-K601 HydrophobicContact CE3-CD 4.15Å; W513-K601 HydrophobicContact CE3-CG 4.11Å; W513-K601 HydrophobicContact CG-CD 4.2Å; W513-K601 HydrophobicContact CH2-CB 3.69Å; W513-K601 HydrophobicContact CH2-CG 4.04Å; W513-K601 HydrophobicContact CZ2-CB 3.98Å; W513-K601 HydrophobicContact CZ2-CG 3.81Å; W513-K601 HydrophobicContact CZ3-CB 3.71Å; W513-K601 HydrophobicContact CZ3-CG 4.16Å; W513-V604 HydrophobicContact CH2-CG2 3.89Å; W513-V604 HydrophobicContact CZ2-CG2 3.82Å; W513-T605 HydrophobicContact CZ2-CG2 4.23Å
514C90.6Very high80Confident0 Ų072.9 Ų72.90%038%0.378CS..Hα-helixtrans-57.7-51.4172.4-660000111.4L510 L511 N516 N517 T518 I526 W533L510-C514 PolarHBondContact O-N 2.93Å; L510-C514 PolarHBondContact O-SG 3.3Å; L511-C514 PolarHBondContact O-N 3Å; C514-N516 VanDerWaalsContact C-N 3.33Å; C514-N516 PolarHBondContact O-N 2.94Å; C514-N517 PolarHBondContact O-N 2.95Å; C514-T518 PolarHBondContact O-N 3.37Å; C514-T518 PolarHBondContact O-OG1 2.91Å; C514-I526 HydrophobicContact CB-CD1 3.9Å; C514-I526 HydrophobicContact CB-CG2 4.35Å; C514-W533 HydrophobicContact CB-CH2 3.77Å; C514-W533 HydrophobicContact CB-CZ2 3.8Å
515Q91.3Very high82Confident69 Ų6972.2 Ų72.232%0.32238%0.376SS..Hα-helixtrans-56.5-40.7178.9-75.9169.1-21.600113.6L511 R512 R519 I526L511-Q515 WeakPolarHBondContact O-CB 3.46Å; L511-Q515 WeakPolarHBondContact O-CG 3.42Å; L511-Q515 PolarHBondContact O-N 3.25Å; R512-Q515 PolarHBondContact O-N 2.87Å; Q515-R519 WeakPolarHBondContact O-CB 3.27Å; Q515-R519 PolarHBondContact O-N 2.99Å; Q515-I526 HydrophobicContact CG-CB 4.04Å; Q515-I526 HydrophobicContact CG-CG2 4.25Å; Q515-I526 WeakPolarHBondContact CG-O 3.45Å; Q515-I526 PolarHBondContact NE2-O 3.33Å
516N89.3Confident83.7Confident108 Ų10870 Ų7058%0.57836%0.36SS*.Hα-helixtrans-70.7-43.8179.2-76-16.4000111.9R512 W513 C514 T518 R519R512-N516 VanDerWaalsContact O-CB 3.3Å; R512-N516 WeakPolarHBondContact O-CB 3.46Å; R512-N516 PolarHBondContact O-N 3.34Å; R512-N516 PolarHBondContact O-ND2 2.96Å; W513-N516 PolarHBondContact O-N 2.86Å; C514-N516 VanDerWaalsContact C-N 3.33Å; C514-N516 PolarHBondContact O-N 2.94Å; N516-T518 VanDerWaalsContact C-N 3.33Å; N516-T518 PolarHBondContact O-N 3.02Å; N516-R519 WeakPolarHBondContact O-CB 3.38Å; N516-R519 PolarHBondContact O-N 3.1Å
517N87.3Confident84.9Confident25 Ų2574.9 Ų74.913%0.13437%0.368CS..Hα-helixtrans-81.3-8.6-176.1-63.3-71.2000113.6W513 C514 L542 H545 F546W513-N517 PolarHBondContact NE1-ND2 3.33Å; W513-N517 PolarHBondContact O-N 3.15Å; W513-N517 VanDerWaalsContact O-N 3.07Å; W513-N517 PolarHBondContact O-ND2 3.43Å; C514-N517 PolarHBondContact O-N 2.95Å; N517-L542 HydrophobicContact CB-CD1 3.85Å; N517-H545 VanDerWaalsContact O-CB 3.23Å; N517-H545 WeakPolarHBondContact O-CB 3.47Å; N517-H545 PolarHBondContact O-ND1 3.26Å; N517-H545 PolarHBondContact OD1-NE2 3.35Å; N517-F546 HydrophobicContact CB-CE2 3.92Å; N517-F546 HydrophobicContact CB-CZ 4.05Å; N517-F546 VanDerWaalsContact CG-CZ 3.47Å; N517-F546 VanDerWaalsContact OD1-CZ 3.29Å; N517-F546 WeakPolarHBondContact OD1-CZ 3.44Å
518T89.8Confident85.5Confident5 Ų572 Ų723%0.03136%0.357CS..THydrogen-bonded Turntrans-111.313.7167.974.40000113.4C514 N516 G520 V524 I526 A541 L542C514-T518 PolarHBondContact O-N 3.37Å; C514-T518 PolarHBondContact O-OG1 2.91Å; N516-T518 VanDerWaalsContact C-N 3.33Å; N516-T518 PolarHBondContact O-N 3.02Å; T518-G520 PolarHBondContact O-N 3.46Å; T518-V524 HydrophobicContact CG2-CG1 4.42Å; T518-I526 HydrophobicContact CG2-CD1 3.74Å; T518-I526 WeakPolarHBondContact OG1-CD1 3.45Å; T518-A541 HydrophobicContact CG2-CB 4.04Å; T518-L542 HydrophobicContact CG2-CB 3.93Å; T518-L542 HydrophobicContact CG2-CD1 4.08Å
519R86.8Confident86.2Confident207 Ų20769.1 Ų69.178%0.78134%0.342SS*.THydrogen-bonded Turntrans-73.7126.6179.6-173.4175.2179.4178.1-1.2110.6Q515 N516Q515-R519 WeakPolarHBondContact O-CB 3.27Å; Q515-R519 PolarHBondContact O-N 2.99Å; N516-R519 WeakPolarHBondContact O-CB 3.38Å; N516-R519 PolarHBondContact O-N 3.1Å
520G81.3Confident86.3Confident76 Ų7666 Ų6678%0.78433%0.331SS*.THydrogen-bonded Turntrans93.58.6178.900000114.7T518T518-G520 PolarHBondContact O-N 3.46Å
521Y87Confident86.1Confident42 Ų4271.7 Ų71.717%0.16536%0.357CS..  trans-89.2131.1164.3-71.4-90.7000110.1V524 A541 H544 H545 F553Y521-V524 PolarHBondContact O-N 3.43Å; Y521-A541 HydrophobicContact CD1-CB 3.8Å; Y521-A541 HydrophobicContact CD2-CB 3.74Å; Y521-A541 HydrophobicContact CE1-CB 4.18Å; Y521-A541 HydrophobicContact CE2-CB 4.1Å; Y521-A541 HydrophobicContact CG-CB 3.56Å; Y521-A541 PolarHBondContact OH-O 2.94Å; Y521-H544 HydrophobicContact CE1-CB 4.45Å; Y521-H544 AromaticContact CE1-ND1 3.34Å; Y521-H544 VanDerWaalsContact CE1-ND1 3.34Å; Y521-H544 WeakPolarHBondContact CE1-ND1 3.45Å; Y521-H544 AromaticContact CZ-ND1 3.52Å; Y521-H544 PolarHBondContact OH-ND1 3.38Å; Y521-H545 HydrophobicContact CE2-CB 4.26Å; Y521-H545 WeakPolarHBondContact OH-CA 3.37Å; Y521-H545 PolarHBondContact OH-N 3.22Å; Y521-F553 AromaticContact CD1-CD1 3.72Å; Y521-F553 HydrophobicContact CD1-CD1 3.72Å; Y521-F553 HydrophobicContact CD1-CD2 4.01Å; Y521-F553 AromaticContact CD1-CE1 3.7Å; Y521-F553 HydrophobicContact CD1-CE1 3.7Å; Y521-F553 AromaticContact CD1-CE2 3.99Å; Y521-F553 HydrophobicContact CD1-CE2 3.99Å; Y521-F553 AromaticContact CD1-CG 3.89Å; Y521-F553 HydrophobicContact CD1-CG 3.89Å; Y521-F553 AromaticContact CD1-CZ 3.83Å; Y521-F553 HydrophobicContact CD1-CZ 3.83Å; Y521-F553 HydrophobicContact CE1-CB 4.5Å; Y521-F553 HydrophobicContact CE1-CD1 4.24Å; Y521-F553 HydrophobicContact CE1-CD2 4.2Å; Y521-F553 HydrophobicContact CE1-CG 4.03Å; Y521-F553 HydrophobicContact CG-CE1 4.48Å; Y521-F553 HydrophobicContact CG-CZ 4.39Å
522D77.8Confident86.1Confident132 Ų13271.3 Ų71.371%0.70636%0.357SS*.THydrogen-bonded Turntrans-62.9144.3176.6-65.2-53.8000111.3V524D522-V524 PolarHBondContact O-N 3.01Å
523N81Confident86.2Confident119 Ų11963.4 Ų63.464%0.63633%0.327SS*.THydrogen-bonded Turntrans56.814.7-177.8-55.1-30.4000116.1L537N523-L537 HydrophobicContact CB-CD1 4.28Å
524V86.2Confident85.9Confident21 Ų2166 Ų6613%0.12734%0.339CS..  trans-110.2113.4174.5179.70000111.4T518 Y521 D522 I526 L537 A538 A541 F553T518-V524 HydrophobicContact CG2-CG1 4.42Å; Y521-V524 PolarHBondContact O-N 3.43Å; D522-V524 PolarHBondContact O-N 3.01Å; V524-I526 HydrophobicContact CG1-CG1 4.26Å; V524-L537 HydrophobicContact CG2-CB 3.84Å; V524-A538 HydrophobicContact CG1-CB 4.02Å; V524-A541 HydrophobicContact CG1-CB 4.39Å; V524-A541 HydrophobicContact CG2-CB 4.08Å; V524-F553 HydrophobicContact CG2-CZ 4.04Å
525N86.5Confident85.5Confident107 Ų10766.7 Ų66.757%0.57234%0.344SS*.  trans-138.793.9-178.3-169.1-22.8000111.5K527N525-K527 PolarHBondContact O-N 2.67Å; N525-K527 VanDerWaalsContact OD1-CE 3.25Å; N525-K527 WeakPolarHBondContact OD1-CE 3.3Å
526I88.1Confident85.2Confident6 Ų663.4 Ų63.43%0.03133%0.329CS..  trans-83111.8-173.2-57.2178000110.9L511 C514 Q515 T518 V524 W533 A538L511-I526 HydrophobicContact CD1-CG2 3.8Å; C514-I526 HydrophobicContact CB-CD1 3.9Å; C514-I526 HydrophobicContact CB-CG2 4.35Å; Q515-I526 HydrophobicContact CG-CB 4.04Å; Q515-I526 HydrophobicContact CG-CG2 4.25Å; Q515-I526 WeakPolarHBondContact CG-O 3.45Å; Q515-I526 PolarHBondContact NE2-O 3.33Å; T518-I526 HydrophobicContact CG2-CD1 3.74Å; T518-I526 WeakPolarHBondContact OG1-CD1 3.45Å; V524-I526 HydrophobicContact CG1-CG1 4.26Å; I526-W533 HydrophobicContact CD1-CH2 3.52Å; I526-W533 HydrophobicContact CD1-CZ2 3.71Å; I526-W533 HydrophobicContact CD1-CZ3 4.11Å; I526-W533 HydrophobicContact CG1-CZ2 4.34Å; I526-W533 HydrophobicContact CG2-CZ2 3.81Å; I526-A538 HydrophobicContact CD1-CB 4.38Å; I526-A538 HydrophobicContact CG1-CB 4.3Å
527K86.7Confident85.3Confident150 Ų15058.5 Ų58.565%0.65230%0.303SS*.  trans-116.7-21.4179.2-63.1177.4-175.71720113.3N525 S532N525-K527 PolarHBondContact O-N 2.67Å; N525-K527 VanDerWaalsContact OD1-CE 3.25Å; N525-K527 WeakPolarHBondContact OD1-CE 3.3Å; K527-S532 PolarHBondContact N-OG 3.48Å
528D85.4Confident85.5Confident41 Ų4157.4 Ų57.422%0.21930%0.297CS..SBendtrans-147.2-172.9-175.267.619.4000112.3S530 Q531 S532 W533D528-S530 PolarHBondContact OD1-N 3.03Å; D528-S530 PolarHBondContact OD2-OG 3.33Å; D528-Q531 PolarHBondContact OD1-N 3.28Å; D528-Q531 WeakPolarHBondContact OD2-CB 3.28Å; D528-Q531 PolarHBondContact OD2-N 3.39Å; D528-S532 VanDerWaalsContact CG-OG 3.31Å; D528-S532 PolarHBondContact N-OG 2.89Å; D528-S532 VanDerWaalsContact OD1-CB 3.24Å; D528-S532 WeakPolarHBondContact OD1-CB 3.47Å; D528-S532 PolarHBondContact OD1-N 3.38Å; D528-S532 PolarHBondContact OD1-OG 3.07Å; D528-W533 PolarHBondContact O-NE1 3.18Å
529F86.5Confident85.5Confident10 Ų1057.2 Ų57.24%0.04430%0.296CS..SBendtrans-111.535.3171.4-64.2-64.2000111.5F507 L510 L511 K590 M593 V594 L597F507-F529 WeakPolarHBondContact O-CZ 3.28Å; L510-F529 HydrophobicContact CB-CZ 4.06Å; L510-F529 HydrophobicContact CD2-CE1 3.93Å; L510-F529 HydrophobicContact CD2-CZ 3.92Å; L510-F529 HydrophobicContact CG-CE1 3.98Å; L510-F529 HydrophobicContact CG-CZ 3.93Å; L511-F529 HydrophobicContact CB-CE1 4.4Å; L511-F529 HydrophobicContact CB-CE2 4.04Å; L511-F529 HydrophobicContact CB-CZ 3.65Å; L511-F529 HydrophobicContact CD1-CD1 4.42Å; L511-F529 HydrophobicContact CD1-CE1 4.05Å; L511-F529 HydrophobicContact CD1-CE2 4.26Å; L511-F529 HydrophobicContact CD1-CZ 3.98Å; L511-F529 HydrophobicContact CG-CZ 4.4Å; F529-K590 HydrophobicContact CB-CG 4.14Å; F529-M593 HydrophobicContact CB-CG 4.34Å; F529-M593 WeakPolarHBondContact O-CB 3.04Å; F529-M593 WeakPolarHBondContact O-CG 3.39Å; F529-V594 HydrophobicContact CB-CG2 3.91Å; F529-V594 HydrophobicContact CD1-CG2 4.05Å; F529-V594 HydrophobicContact CD2-CG2 3.51Å; F529-V594 HydrophobicContact CE1-CG2 4.4Å; F529-V594 HydrophobicContact CE2-CG2 3.91Å; F529-V594 HydrophobicContact CG-CG2 3.57Å; F529-V594 HydrophobicContact CZ-CG2 4.32Å; F529-L597 HydrophobicContact CD1-CD1 3.59Å; F529-L597 HydrophobicContact CE1-CD1 3.9Å
530S82.3Confident85.7Confident32 Ų3247.3 Ų47.322%0.22426%0.258CS..SBendtrans-147.9-77.6179.151.60000112.8D528 S532 W533D528-S530 PolarHBondContact OD1-N 3.03Å; D528-S530 PolarHBondContact OD2-OG 3.33Å; S530-S532 VanDerWaalsContact C-N 3.33Å; S530-S532 PolarHBondContact O-N 2.92Å; S530-W533 PolarHBondContact O-N 2.87Å
531Q81.8Confident86.1Confident124 Ų12443.7 Ų43.758%0.57922%0.221SC*.G310 helixtrans-66.5-36.8-175.5-57.2-71.48.600111.8D528 W533 K534D528-Q531 PolarHBondContact OD1-N 3.28Å; D528-Q531 WeakPolarHBondContact OD2-CB 3.28Å; D528-Q531 PolarHBondContact OD2-N 3.39Å; Q531-W533 PolarHBondContact O-N 3.16Å; Q531-K534 PolarHBondContact O-N 2.87Å
532S87.4Confident86.3Confident20 Ų2041.8 Ų41.814%0.1421%0.213CC..G310 helixtrans-59.4-18.6-176.6-48.90000114.6K527 D528 S530 A538K527-S532 PolarHBondContact N-OG 3.48Å; D528-S532 VanDerWaalsContact CG-OG 3.31Å; D528-S532 PolarHBondContact N-OG 2.89Å; D528-S532 VanDerWaalsContact OD1-CB 3.24Å; D528-S532 WeakPolarHBondContact OD1-CB 3.47Å; D528-S532 PolarHBondContact OD1-N 3.38Å; D528-S532 PolarHBondContact OD1-OG 3.07Å; S530-S532 VanDerWaalsContact C-N 3.33Å; S530-S532 PolarHBondContact O-N 2.92Å; S532-A538 VanDerWaalsContact O-CB 3.32Å; S532-A538 WeakPolarHBondContact O-CB 3.39Å
533W87.4Confident86.9Confident1 Ų135.8 Ų35.80%0.00418%0.181CC..G310 helixtrans-107.1-8.7-171.7-5890.8000113.2C514 I526 D528 S530 Q531 S535 G536 A538 L539 L542 I588 M593 L597C514-W533 HydrophobicContact CB-CH2 3.77Å; C514-W533 HydrophobicContact CB-CZ2 3.8Å; I526-W533 HydrophobicContact CD1-CH2 3.52Å; I526-W533 HydrophobicContact CD1-CZ2 3.71Å; I526-W533 HydrophobicContact CD1-CZ3 4.11Å; I526-W533 HydrophobicContact CG1-CZ2 4.34Å; I526-W533 HydrophobicContact CG2-CZ2 3.81Å; D528-W533 PolarHBondContact O-NE1 3.18Å; S530-W533 PolarHBondContact O-N 2.87Å; Q531-W533 PolarHBondContact O-N 3.16Å; W533-S535 PolarHBondContact O-N 2.75Å; W533-G536 PolarHBondContact O-N 2.99Å; W533-A538 HydrophobicContact CD2-CB 4.16Å; W533-A538 HydrophobicContact CE3-CB 3.55Å; W533-A538 HydrophobicContact CZ3-CB 3.88Å; W533-L539 HydrophobicContact CE3-CD2 3.71Å; W533-L539 HydrophobicContact CE3-CG 3.88Å; W533-L539 HydrophobicContact CZ3-CD2 3.8Å; W533-L539 HydrophobicContact CZ3-CG 4.3Å; W533-L542 HydrophobicContact CH2-CD2 4.37Å; W533-L542 HydrophobicContact CZ3-CD2 4.38Å; W533-I588 HydrophobicContact CB-CD1 4.43Å; W533-M593 HydrophobicContact CB-CE 3.91Å; W533-M593 HydrophobicContact CB-SD 4.28Å; W533-M593 HydrophobicContact CD2-SD 4.37Å; W533-M593 HydrophobicContact CG-CE 4.36Å; W533-M593 HydrophobicContact CG-CG 4.35Å; W533-M593 HydrophobicContact CG-SD 4.1Å; W533-L597 HydrophobicContact CD2-CD1 4.16Å; W533-L597 HydrophobicContact CD2-CD2 4.46Å; W533-L597 HydrophobicContact CE3-CD2 4.06Å; W533-L597 HydrophobicContact CH2-CD1 3.91Å; W533-L597 HydrophobicContact CH2-CD2 3.46Å; W533-L597 VanDerWaalsContact CH2-CD2 3.46Å; W533-L597 HydrophobicContact CH2-CG 4.35Å; W533-L597 HydrophobicContact CZ2-CD1 3.43Å; W533-L597 VanDerWaalsContact CZ2-CD1 3.43Å; W533-L597 HydrophobicContact CZ2-CD2 3.93Å; W533-L597 HydrophobicContact CZ2-CG 4.35Å; W533-L597 HydrophobicContact CZ3-CD1 4.47Å; W533-L597 HydrophobicContact CZ3-CD2 3.57Å
534K82.9Confident87.4Confident90 Ų9032.4 Ų32.439%0.39116%0.162SC..THydrogen-bonded Turntrans-65.2-29.8-172.8-74-175.7174.71770115Q531 G536 N565 I588Q531-K534 PolarHBondContact O-N 2.87Å; K534-G536 PolarHBondContact O-N 3.18Å; K534-N565 PolarHBondContact O-ND2 2.64Å; K534-I588 HydrophobicContact CB-CD1 4.43Å; K534-I588 HydrophobicContact CG-CD1 3.57Å; K534-I588 HydrophobicContact CG-CG1 4.24Å
535S83.9Confident87.5Confident16 Ų1635.5 Ų35.511%0.11218%0.175CC..THydrogen-bonded Turntrans-73.3-7.5-17957.30000114W533 L537 N564W533-S535 PolarHBondContact O-N 2.75Å; S535-L537 PolarHBondContact O-N 2.76Å; S535-N564 WeakPolarHBondContact O-CB 3.45Å; S535-N564 PolarHBondContact O-ND2 3.06Å; S535-N564 VanDerWaalsContact O-ND2 3.17Å
536G84.8Confident87.5Confident0 Ų033.5 Ų33.50%016%0.161CC..SBendtrans75.2-35.8-17100000113W533 K534 A538 L539 C540 N565W533-G536 PolarHBondContact O-N 2.99Å; K534-G536 PolarHBondContact O-N 3.18Å; G536-A538 VanDerWaalsContact C-N 3.25Å; G536-A538 PolarHBondContact O-N 2.7Å; G536-A538 VanDerWaalsContact O-N 3.11Å; G536-L539 WeakPolarHBondContact O-CA 3.36Å; G536-L539 WeakPolarHBondContact O-CB 3.36Å; G536-L539 PolarHBondContact O-N 2.7Å; G536-C540 PolarHBondContact O-N 3.24Å; G536-C540 PolarHBondContact O-SG 3.43Å; G536-C540 VanDerWaalsContact O-SG 3.38Å; G536-N565 PolarHBondContact N-ND2 2.85Å
537L89.8Confident87.3Confident5 Ų535.9 Ų35.93%0.02617%0.17CC..Hα-helixtrans-52.1-37.2-177.6-63.6-173.8000113.9N523 V524 S535 L539 C540 A541 F553 L556 E558N523-L537 HydrophobicContact CB-CD1 4.28Å; V524-L537 HydrophobicContact CG2-CB 3.84Å; S535-L537 PolarHBondContact O-N 2.76Å; L537-L539 VanDerWaalsContact C-N 3.34Å; L537-L539 PolarHBondContact O-N 2.73Å; L537-C540 PolarHBondContact O-N 3.33Å; L537-A541 VanDerWaalsContact O-CB 3.31Å; L537-A541 WeakPolarHBondContact O-CB 3.41Å; L537-A541 PolarHBondContact O-N 3.48Å; L537-F553 HydrophobicContact CB-CZ 4.49Å; L537-F553 HydrophobicContact CD2-CE2 4.48Å; L537-F553 HydrophobicContact CD2-CZ 4.45Å; L537-L556 HydrophobicContact CD2-CB 3.71Å; L537-L556 HydrophobicContact CD2-CD1 4.07Å; L537-E558 HydrophobicContact CD1-CB 3.82Å; L537-E558 HydrophobicContact CD1-CG 3.85Å
538A91.2Very high87.1Confident1 Ų132.3 Ų32.31%0.00816%0.161CC..Hα-helixtrans-65.5-34.1177.700000113.2V524 I526 S532 W533 G536 L542V524-A538 HydrophobicContact CG1-CB 4.02Å; I526-A538 HydrophobicContact CD1-CB 4.38Å; I526-A538 HydrophobicContact CG1-CB 4.3Å; S532-A538 VanDerWaalsContact O-CB 3.32Å; S532-A538 WeakPolarHBondContact O-CB 3.39Å; W533-A538 HydrophobicContact CD2-CB 4.16Å; W533-A538 HydrophobicContact CE3-CB 3.55Å; W533-A538 HydrophobicContact CZ3-CB 3.88Å; G536-A538 VanDerWaalsContact C-N 3.25Å; G536-A538 PolarHBondContact O-N 2.7Å; G536-A538 VanDerWaalsContact O-N 3.11Å; A538-L542 WeakPolarHBondContact O-CB 3.12Å; A538-L542 PolarHBondContact O-N 2.95Å
539L90.4Very high87Confident1 Ų137.5 Ų37.51%0.00518%0.184CC..Hα-helixtrans-74.1-42.3170-68.7174.6000110.6W533 G536 L537 A541 L542 I543 V568 F569 Y596 L597 I600W533-L539 HydrophobicContact CE3-CD2 3.71Å; W533-L539 HydrophobicContact CE3-CG 3.88Å; W533-L539 HydrophobicContact CZ3-CD2 3.8Å; W533-L539 HydrophobicContact CZ3-CG 4.3Å; G536-L539 WeakPolarHBondContact O-CA 3.36Å; G536-L539 WeakPolarHBondContact O-CB 3.36Å; G536-L539 PolarHBondContact O-N 2.7Å; L537-L539 VanDerWaalsContact C-N 3.34Å; L537-L539 PolarHBondContact O-N 2.73Å; L539-A541 PolarHBondContact O-N 3.27Å; L539-L542 PolarHBondContact O-N 3.03Å; L539-I543 WeakPolarHBondContact O-CG1 3.4Å; L539-I543 PolarHBondContact O-N 2.72Å; L539-V568 HydrophobicContact CB-CB 4.36Å; L539-V568 HydrophobicContact CB-CG1 3.75Å; L539-V568 HydrophobicContact CB-CG2 3.78Å; L539-V568 HydrophobicContact CD1-CG1 4.03Å; L539-F569 HydrophobicContact CD1-CD1 4.37Å; L539-F569 HydrophobicContact CD1-CE1 3.65Å; L539-F569 HydrophobicContact CD1-CZ 4.35Å; L539-Y596 HydrophobicContact CD1-CE1 4.42Å; L539-L597 HydrophobicContact CD2-CD2 3.76Å; L539-I600 HydrophobicContact CD2-CD1 4.14Å
540C90.6Very high87Confident0 Ų038.8 Ų38.80%019%0.191CC..Hα-helixtrans-58.1-47178.6-61.30000111.9G536 L537 L542 I543 H544 I551 F553 L556G536-C540 PolarHBondContact O-N 3.24Å; G536-C540 PolarHBondContact O-SG 3.43Å; G536-C540 VanDerWaalsContact O-SG 3.38Å; L537-C540 PolarHBondContact O-N 3.33Å; C540-L542 PolarHBondContact O-N 2.88Å; C540-I543 PolarHBondContact O-N 2.85Å; C540-H544 VanDerWaalsContact O-CB 3.27Å; C540-H544 WeakPolarHBondContact O-CB 3.24Å; C540-H544 PolarHBondContact O-N 2.78Å; C540-I551 HydrophobicContact CB-CD1 4.37Å; C540-I551 HydrophobicContact CB-CG2 4.31Å; C540-F553 HydrophobicContact CB-CD2 4Å; C540-F553 HydrophobicContact CB-CE2 4Å; C540-L556 HydrophobicContact CB-CD1 3.58Å
541A90.9Very high87.2Confident0 Ų037.4 Ų37.40%018%0.181CC..Hα-helixtrans-61.2-42.4176.700000111.9T518 Y521 V524 L537 L539 H544 H545 F553T518-A541 HydrophobicContact CG2-CB 4.04Å; Y521-A541 HydrophobicContact CD1-CB 3.8Å; Y521-A541 HydrophobicContact CD2-CB 3.74Å; Y521-A541 HydrophobicContact CE1-CB 4.18Å; Y521-A541 HydrophobicContact CE2-CB 4.1Å; Y521-A541 HydrophobicContact CG-CB 3.56Å; Y521-A541 PolarHBondContact OH-O 2.94Å; V524-A541 HydrophobicContact CG1-CB 4.39Å; V524-A541 HydrophobicContact CG2-CB 4.08Å; L537-A541 VanDerWaalsContact O-CB 3.31Å; L537-A541 WeakPolarHBondContact O-CB 3.41Å; L537-A541 PolarHBondContact O-N 3.48Å; L539-A541 PolarHBondContact O-N 3.27Å; A541-H544 PolarHBondContact O-N 3.26Å; A541-H545 VanDerWaalsContact O-CB 3.31Å; A541-H545 WeakPolarHBondContact O-CB 3.36Å; A541-H545 PolarHBondContact O-N 2.98Å; A541-F553 HydrophobicContact CB-CD2 4.3Å; A541-F553 HydrophobicContact CB-CE2 3.67Å; A541-F553 HydrophobicContact CB-CZ 4.24Å
542L91.4Very high87.5Confident1 Ų136.1 Ų36.11%0.00518%0.179CC..Hα-helixtrans-63.8-42.7178.9-171.469.3000111.6W513 N517 T518 W533 A538 L539 C540 F546 L597 I600W513-L542 HydrophobicContact CH2-CD1 3.89Å; W513-L542 HydrophobicContact CH2-CD2 4.25Å; W513-L542 HydrophobicContact CH2-CG 4.33Å; W513-L542 HydrophobicContact CZ3-CD1 3.81Å; W513-L542 HydrophobicContact CZ3-CD2 3.95Å; W513-L542 HydrophobicContact CZ3-CG 4.36Å; N517-L542 HydrophobicContact CB-CD1 3.85Å; T518-L542 HydrophobicContact CG2-CB 3.93Å; T518-L542 HydrophobicContact CG2-CD1 4.08Å; W533-L542 HydrophobicContact CH2-CD2 4.37Å; W533-L542 HydrophobicContact CZ3-CD2 4.38Å; A538-L542 WeakPolarHBondContact O-CB 3.12Å; A538-L542 PolarHBondContact O-N 2.95Å; L539-L542 PolarHBondContact O-N 3.03Å; C540-L542 PolarHBondContact O-N 2.88Å; L542-F546 HydrophobicContact CD1-CE2 4.18Å; L542-F546 VanDerWaalsContact O-CD2 3.28Å; L542-F546 WeakPolarHBondContact O-CD2 3.43Å; L542-L597 HydrophobicContact CD2-CD2 4.09Å; L542-I600 HydrophobicContact CD2-CG2 4.05Å
543I90.3Very high87.5Confident6 Ų636.7 Ų36.73%0.03118%0.178CC..Hα-helixtrans-72.5-43.2177.4-62.1-58.1000111.5L539 C540 H545 F546 R547 I551 V568 V571 I572 L576 I600 V604L539-I543 WeakPolarHBondContact O-CG1 3.4Å; L539-I543 PolarHBondContact O-N 2.72Å; C540-I543 PolarHBondContact O-N 2.85Å; I543-H545 VanDerWaalsContact C-N 3.28Å; I543-H545 PolarHBondContact O-N 3.48Å; I543-F546 PolarHBondContact O-N 3.18Å; I543-R547 PolarHBondContact O-N 3.17Å; I543-I551 HydrophobicContact CB-CD1 3.89Å; I543-I551 HydrophobicContact CG2-CD1 3.82Å; I543-I551 HydrophobicContact CG2-CG1 4.4Å; I543-V568 HydrophobicContact CB-CG2 4.49Å; I543-V568 HydrophobicContact CG1-CG2 3.94Å; I543-V571 HydrophobicContact CG2-CG1 4.07Å; I543-I572 HydrophobicContact CD1-CD1 4.01Å; I543-I572 HydrophobicContact CD1-CG1 3.71Å; I543-I572 HydrophobicContact CG1-CD1 3.92Å; I543-I572 HydrophobicContact CG1-CG1 3.8Å; I543-L576 HydrophobicContact CD1-CD1 3.89Å; I543-I600 HydrophobicContact CD1-CG2 3.92Å; I543-V604 HydrophobicContact CD1-CG1 4.38Å
544H90.9Very high87.3Confident48 Ų4841.8 Ų41.822%0.22222%0.215CC..Hα-helixtrans-60.4-36.1175.5178.8-97.7000112Y521 C540 A541 F546 R547 P548 I551 F553Y521-H544 HydrophobicContact CE1-CB 4.45Å; Y521-H544 AromaticContact CE1-ND1 3.34Å; Y521-H544 VanDerWaalsContact CE1-ND1 3.34Å; Y521-H544 WeakPolarHBondContact CE1-ND1 3.45Å; Y521-H544 AromaticContact CZ-ND1 3.52Å; Y521-H544 PolarHBondContact OH-ND1 3.38Å; C540-H544 VanDerWaalsContact O-CB 3.27Å; C540-H544 WeakPolarHBondContact O-CB 3.24Å; C540-H544 PolarHBondContact O-N 2.78Å; A541-H544 PolarHBondContact O-N 3.26Å; H544-F546 VanDerWaalsContact C-N 3.34Å; H544-F546 PolarHBondContact O-N 3.34Å; H544-R547 CarbonylContact O-C 3.57Å; H544-P548 WeakPolarHBondContact CD2-CA 3.22Å; H544-P548 PolarHBondContact CD2-O 3.16Å; H544-P548 VanDerWaalsContact CD2-O 3.32Å; H544-P548 WeakPolarHBondContact NE2-CB 3.25Å; H544-P548 WeakPolarHBondContact O-CA 3.4Å; H544-P548 WeakPolarHBondContact O-CB 3.25Å; H544-P548 VanDerWaalsContact O-CD 3.27Å; H544-P548 WeakPolarHBondContact O-CD 3.25Å; H544-I551 PolarHBondContact CD2-O 2.97Å; H544-F553 HydrophobicContact CB-CB 4.47Å
545H88.6Confident87.3Confident87 Ų8741.4 Ų41.440%0.40322%0.223SC..Hα-helixtrans-60.7-39.3177.1-173.784.3000113.3N517 Y521 A541 I543N517-H545 VanDerWaalsContact O-CB 3.23Å; N517-H545 WeakPolarHBondContact O-CB 3.47Å; N517-H545 PolarHBondContact O-ND1 3.26Å; N517-H545 PolarHBondContact OD1-NE2 3.35Å; Y521-H545 HydrophobicContact CE2-CB 4.26Å; Y521-H545 WeakPolarHBondContact OH-CA 3.37Å; Y521-H545 PolarHBondContact OH-N 3.22Å; A541-H545 VanDerWaalsContact O-CB 3.31Å; A541-H545 WeakPolarHBondContact O-CB 3.36Å; A541-H545 PolarHBondContact O-N 2.98Å; I543-H545 VanDerWaalsContact C-N 3.28Å; I543-H545 PolarHBondContact O-N 3.48Å
546F85.3Confident87.5Confident64 Ų6442 Ų4228%0.28123%0.225SC..Hα-helixtrans-91.8-26.7179.4-68.8-71.3000114W513 N517 L542 I543 H544 V604W513-F546 AromaticContact CH2-CE2 3.81Å; W513-F546 HydrophobicContact CH2-CE2 3.81Å; W513-F546 HydrophobicContact CH2-CZ 4.34Å; W513-F546 AromaticContact CZ2-CE2 3.43Å; W513-F546 HydrophobicContact CZ2-CE2 3.43Å; W513-F546 VanDerWaalsContact CZ2-CE2 3.43Å; W513-F546 AromaticContact CZ2-CZ 3.5Å; W513-F546 HydrophobicContact CZ2-CZ 3.5Å; W513-F546 VanDerWaalsContact CZ2-CZ 3.5Å; N517-F546 HydrophobicContact CB-CE2 3.92Å; N517-F546 HydrophobicContact CB-CZ 4.05Å; N517-F546 VanDerWaalsContact CG-CZ 3.47Å; N517-F546 VanDerWaalsContact OD1-CZ 3.29Å; N517-F546 WeakPolarHBondContact OD1-CZ 3.44Å; L542-F546 HydrophobicContact CD1-CE2 4.18Å; L542-F546 VanDerWaalsContact O-CD2 3.28Å; L542-F546 WeakPolarHBondContact O-CD2 3.43Å; I543-F546 PolarHBondContact O-N 3.18Å; H544-F546 VanDerWaalsContact C-N 3.34Å; H544-F546 PolarHBondContact O-N 3.34Å; F546-V604 HydrophobicContact CB-CB 4.01Å; F546-V604 HydrophobicContact CB-CG1 4.45Å; F546-V604 HydrophobicContact CB-CG2 4.47Å; F546-V604 HydrophobicContact CD1-CB 4.46Å; F546-V604 HydrophobicContact CD1-CG2 4.26Å; F546-V604 HydrophobicContact CD2-CB 3.94Å; F546-V604 HydrophobicContact CD2-CG1 4.48Å; F546-V604 HydrophobicContact CD2-CG2 3.46Å; F546-V604 VanDerWaalsContact CD2-CG2 3.46Å; F546-V604 HydrophobicContact CE1-CG2 4.42Å; F546-V604 HydrophobicContact CE2-CG2 3.65Å; F546-V604 HydrophobicContact CG-CB 3.88Å; F546-V604 HydrophobicContact CG-CG2 3.81Å; F546-V604 HydrophobicContact CZ-CG2 4.13Å
547R84.3Confident87.3Confident57 Ų5745.8 Ų45.822%0.21525%0.245CC..  trans-144.777.3180-64.6-171-173.7174.18110.5I543 H544 H549 L550 E575I543-R547 PolarHBondContact O-N 3.17Å; H544-R547 CarbonylContact O-C 3.57Å; R547-H549 PolarHBondContact O-N 3.1Å; R547-H549 VanDerWaalsContact O-N 3.14Å; R547-L550 HydrophobicContact CB-CD1 3.68Å; R547-L550 HydrophobicContact CB-CG 3.95Å; R547-L550 VanDerWaalsContact CD-CD1 3.47Å; R547-L550 HydrophobicContact CG-CD1 4.23Å; R547-L550 PolarHBondContact O-N 3.37Å; R547-L550 VanDerWaalsContact O-N 3.11Å; R547-E575 PolarHBondContact NH1-O 2.96Å
548P83.9Confident86.8Confident74 Ų7448.9 Ų48.948%0.48126%0.259SS..G310 helixtrans-64.7-23.8-171.122-32.6000114.1H544 L550H544-P548 WeakPolarHBondContact CD2-CA 3.22Å; H544-P548 PolarHBondContact CD2-O 3.16Å; H544-P548 VanDerWaalsContact CD2-O 3.32Å; H544-P548 WeakPolarHBondContact NE2-CB 3.25Å; H544-P548 WeakPolarHBondContact O-CA 3.4Å; H544-P548 WeakPolarHBondContact O-CB 3.25Å; H544-P548 VanDerWaalsContact O-CD 3.27Å; H544-P548 WeakPolarHBondContact O-CD 3.25Å; P548-L550 PolarHBondContact O-N 3.16Å
549H82.9Confident86.1Confident150 Ų15052.3 Ų52.369%0.69429%0.288SS*.G310 helixtrans-71.5-5.317762.4-94.9000114.8R547R547-H549 PolarHBondContact O-N 3.1Å; R547-H549 VanDerWaalsContact O-N 3.14Å
550L85.6Confident85.8Confident37 Ų3756.4 Ų56.419%0.19431%0.31CS..G310 helixtrans-95.6-18.9-177.1-66.7-176.8000114.9R547 P548 V571 E575R547-L550 HydrophobicContact CB-CD1 3.68Å; R547-L550 HydrophobicContact CB-CG 3.95Å; R547-L550 VanDerWaalsContact CD-CD1 3.47Å; R547-L550 HydrophobicContact CG-CD1 4.23Å; R547-L550 PolarHBondContact O-N 3.37Å; R547-L550 VanDerWaalsContact O-N 3.11Å; P548-L550 PolarHBondContact O-N 3.16Å; L550-V571 HydrophobicContact CB-CG1 3.89Å; L550-V571 HydrophobicContact CD1-CG1 4.02Å; L550-E575 HydrophobicContact CD1-CB 3.82Å; L550-E575 HydrophobicContact CD1-CG 3.88Å; L550-E575 HydrophobicContact CD2-CG 3.91Å
551I87.4Confident85.5Confident3 Ų362.7 Ų62.72%0.01533%0.334CS..  trans-146.7114.1-176.8-58.6-179.7000107.8C540 I543 H544 F553 L556 L567 V568 V571C540-I551 HydrophobicContact CB-CD1 4.37Å; C540-I551 HydrophobicContact CB-CG2 4.31Å; I543-I551 HydrophobicContact CB-CD1 3.89Å; I543-I551 HydrophobicContact CG2-CD1 3.82Å; I543-I551 HydrophobicContact CG2-CG1 4.4Å; H544-I551 PolarHBondContact CD2-O 2.97Å; I551-F553 VanDerWaalsContact C-N 3.34Å; I551-F553 PolarHBondContact O-N 2.85Å; I551-L556 HydrophobicContact CG2-CD1 3.89Å; I551-L567 HydrophobicContact CG2-CD2 4.27Å; I551-V568 HydrophobicContact CD1-CB 4.35Å; I551-V568 HydrophobicContact CD1-CG2 3.89Å; I551-V571 HydrophobicContact CD1-CG1 4.43Å; I551-V571 HydrophobicContact CG1-CG1 4.29Å; I551-V571 HydrophobicContact CG1-CG2 4.27Å
552D86.9Confident85Confident98 Ų9866.5 Ų66.552%0.52436%0.357SS..  trans-71.692.9168.5179.7-0.2000109.5S554 S555D552-S554 PolarHBondContact O-N 3.43Å; D552-S554 WeakPolarHBondContact OD1-CB 3.27Å; D552-S554 PolarHBondContact OD1-N 2.75Å; D552-S554 PolarHBondContact OD1-OG 3.16Å; D552-S555 PolarHBondContact O-N 2.93Å; D552-S555 PolarHBondContact O-OG 3.47Å; D552-S555 PolarHBondContact OD1-N 2.88Å
553F88.1Confident84.7Confident31 Ų3171.5 Ų71.514%0.13638%0.38CS..G310 helixtrans-63.4-26.6-179.9-165.4-84.2000112.4Y521 V524 L537 C540 A541 H544 I551 S555 L556Y521-F553 AromaticContact CD1-CD1 3.72Å; Y521-F553 HydrophobicContact CD1-CD1 3.72Å; Y521-F553 HydrophobicContact CD1-CD2 4.01Å; Y521-F553 AromaticContact CD1-CE1 3.7Å; Y521-F553 HydrophobicContact CD1-CE1 3.7Å; Y521-F553 AromaticContact CD1-CE2 3.99Å; Y521-F553 HydrophobicContact CD1-CE2 3.99Å; Y521-F553 AromaticContact CD1-CG 3.89Å; Y521-F553 HydrophobicContact CD1-CG 3.89Å; Y521-F553 AromaticContact CD1-CZ 3.83Å; Y521-F553 HydrophobicContact CD1-CZ 3.83Å; Y521-F553 HydrophobicContact CE1-CB 4.5Å; Y521-F553 HydrophobicContact CE1-CD1 4.24Å; Y521-F553 HydrophobicContact CE1-CD2 4.2Å; Y521-F553 HydrophobicContact CE1-CG 4.03Å; Y521-F553 HydrophobicContact CG-CE1 4.48Å; Y521-F553 HydrophobicContact CG-CZ 4.39Å; V524-F553 HydrophobicContact CG2-CZ 4.04Å; L537-F553 HydrophobicContact CB-CZ 4.49Å; L537-F553 HydrophobicContact CD2-CE2 4.48Å; L537-F553 HydrophobicContact CD2-CZ 4.45Å; C540-F553 HydrophobicContact CB-CD2 4Å; C540-F553 HydrophobicContact CB-CE2 4Å; A541-F553 HydrophobicContact CB-CD2 4.3Å; A541-F553 HydrophobicContact CB-CE2 3.67Å; A541-F553 HydrophobicContact CB-CZ 4.24Å; H544-F553 HydrophobicContact CB-CB 4.47Å; I551-F553 VanDerWaalsContact C-N 3.34Å; I551-F553 PolarHBondContact O-N 2.85Å; F553-S555 PolarHBondContact O-N 3.38Å; F553-L556 HydrophobicContact CD2-CD1 4.01Å; F553-L556 HydrophobicContact CE2-CD1 4.39Å; F553-L556 PolarHBondContact O-N 2.72Å
554S82.9Confident84.6Confident109 Ų10971.2 Ų71.276%0.76238%0.379SS*.G310 helixtrans-70.9-17.9-179.675.60000113.3D552D552-S554 PolarHBondContact O-N 3.43Å; D552-S554 WeakPolarHBondContact OD1-CB 3.27Å; D552-S554 PolarHBondContact OD1-N 2.75Å; D552-S554 PolarHBondContact OD1-OG 3.16Å
555S84.1Confident84.4Confident82 Ų8269.5 Ų69.557%0.57337%0.371SS*.G310 helixtrans-86.1-6.5175.2740000114.6D552 F553D552-S555 PolarHBondContact O-N 2.93Å; D552-S555 PolarHBondContact O-OG 3.47Å; D552-S555 PolarHBondContact OD1-N 2.88Å; F553-S555 PolarHBondContact O-N 3.38Å
556L87.7Confident84.2Confident28 Ų2870.2 Ų70.215%0.14737%0.374CS..  trans-92.4137.4-170.3-57.2-177.2000113.5L537 C540 I551 F553 L567L537-L556 HydrophobicContact CD2-CB 3.71Å; L537-L556 HydrophobicContact CD2-CD1 4.07Å; C540-L556 HydrophobicContact CB-CD1 3.58Å; I551-L556 HydrophobicContact CG2-CD1 3.89Å; F553-L556 HydrophobicContact CD2-CD1 4.01Å; F553-L556 HydrophobicContact CE2-CD1 4.39Å; F553-L556 PolarHBondContact O-N 2.72Å; L556-L567 HydrophobicContact CD2-CD2 3.89Å
557D79.7Confident84.3Confident80 Ų8069.5 Ų69.543%0.42837%0.373SS..  trans-115.9137.2177.7169.915.8000110.5A559 N560 N564D557-A559 VanDerWaalsContact C-N 3.25Å; D557-A559 PolarHBondContact O-N 2.86Å; D557-A559 PolarHBondContact OD1-N 3.02Å; D557-A559 WeakPolarHBondContact OD2-CB 3.28Å; D557-N560 PolarHBondContact O-N 2.88Å; D557-N560 PolarHBondContact OD2-ND2 3.5Å; D557-N564 PolarHBondContact O-ND2 2.81Å
558E79.4Confident84.4Confident69 Ų6966.8 Ų66.832%0.32236%0.363SS..G310 helixtrans-64.8-26.9178.9-157.9-155.5131.300113L537 N560 R561L537-E558 HydrophobicContact CD1-CB 3.82Å; L537-E558 HydrophobicContact CD1-CG 3.85Å; E558-N560 VanDerWaalsContact C-N 3.27Å; E558-N560 PolarHBondContact O-N 3.08Å; E558-R561 WeakPolarHBondContact O-CG 3.43Å; E558-R561 IonicContact OE1-NH2 2.6Å; E558-R561 PolarHBondContact OE1-NH2 2.7Å; E558-R561 VanDerWaalsContact OE1-NH2 3.12Å
559A77.6Confident84.6Confident74 Ų7463.8 Ų63.861%0.61234%0.343SS*.G310 helixtrans-64.3-34.2175.900000111.8D557 R561D557-A559 VanDerWaalsContact C-N 3.25Å; D557-A559 PolarHBondContact O-N 2.86Å; D557-A559 PolarHBondContact OD1-N 3.02Å; D557-A559 WeakPolarHBondContact OD2-CB 3.28Å; A559-R561 PolarHBondContact O-N 3.07Å
560N83.6Confident84.7Confident87 Ų8759.8 Ų59.847%0.46533%0.331SS..G310 helixtrans-82.741.4-172.9-72.2-54.6000113.8D557 E558 V562 H563 N564D557-N560 PolarHBondContact O-N 2.88Å; D557-N560 PolarHBondContact OD2-ND2 3.5Å; E558-N560 VanDerWaalsContact C-N 3.27Å; E558-N560 PolarHBondContact O-N 3.08Å; N560-V562 VanDerWaalsContact C-N 3.3Å; N560-V562 PolarHBondContact O-N 2.83Å; N560-V562 VanDerWaalsContact O-N 3.13Å; N560-H563 HydrophobicContact CB-CB 4.35Å; N560-H563 WeakPolarHBondContact O-CB 3.44Å; N560-H563 PolarHBondContact O-N 3.24Å; N560-N564 VanDerWaalsContact O-CG 3.3Å; N560-N564 PolarHBondContact O-N 2.7Å; N560-N564 PolarHBondContact O-OD1 3.44Å
561R83.4Confident84.8Confident131 Ų13158.8 Ų58.849%0.49433%0.327SS..Hα-helixtrans-49.8-42.6-172.8-56.9-177174.4162.5-5114.2E558 A559 N565E558-R561 WeakPolarHBondContact O-CG 3.43Å; E558-R561 IonicContact OE1-NH2 2.6Å; E558-R561 PolarHBondContact OE1-NH2 2.7Å; E558-R561 VanDerWaalsContact OE1-NH2 3.12Å; A559-R561 PolarHBondContact O-N 3.07Å; R561-N565 PolarHBondContact O-N 2.73Å; R561-N565 VanDerWaalsContact O-N 3.08Å; R561-N565 PolarHBondContact O-ND2 3.4Å
562V81.7Confident84.7Confident80 Ų8058.7 Ų58.749%0.48533%0.326SS..Hα-helixtrans-66-44.6-179.8178.70000110.8N560 Q566 P584N560-V562 VanDerWaalsContact C-N 3.3Å; N560-V562 PolarHBondContact O-N 2.83Å; N560-V562 VanDerWaalsContact O-N 3.13Å; V562-Q566 WeakPolarHBondContact O-CB 3.45Å; V562-Q566 VanDerWaalsContact O-CG 3.29Å; V562-Q566 WeakPolarHBondContact O-CG 3.07Å; V562-Q566 PolarHBondContact O-N 3.32Å; V562-P584 HydrophobicContact CG1-CB 4.07Å
563H84.1Confident84.6Confident106 Ų10659 Ų5949%0.49132%0.324SS..Hα-helixtrans-64.3-46.8176.5178.678.6000111.4N560 N565 Q566 L567N560-H563 HydrophobicContact CB-CB 4.35Å; N560-H563 WeakPolarHBondContact O-CB 3.44Å; N560-H563 PolarHBondContact O-N 3.24Å; H563-N565 VanDerWaalsContact C-N 3.34Å; H563-N565 PolarHBondContact O-N 2.88Å; H563-Q566 PolarHBondContact O-N 2.71Å; H563-L567 WeakPolarHBondContact O-CB 3.21Å; H563-L567 PolarHBondContact O-N 3.01Å
564N88.4Confident84.4Confident1 Ų165.3 Ų65.31%0.00535%0.352CS..Hα-helixtrans-57.4-45.7179-61.1-17000111.9S535 D557 N560 V568S535-N564 WeakPolarHBondContact O-CB 3.45Å; S535-N564 PolarHBondContact O-ND2 3.06Å; S535-N564 VanDerWaalsContact O-ND2 3.17Å; D557-N564 PolarHBondContact O-ND2 2.81Å; N560-N564 VanDerWaalsContact O-CG 3.3Å; N560-N564 PolarHBondContact O-N 2.7Å; N560-N564 PolarHBondContact O-OD1 3.44Å; N564-V568 WeakPolarHBondContact O-CG1 3.25Å; N564-V568 PolarHBondContact O-N 2.68Å; N564-V568 VanDerWaalsContact O-N 3.09Å
565N86.4Confident84.5Confident12 Ų1263.3 Ų63.36%0.06433%0.33CS..Hα-helixtrans-66.6-43.1176.2-77.7-78.8000112K534 G536 R561 H563 F569 P584K534-N565 PolarHBondContact O-ND2 2.64Å; G536-N565 PolarHBondContact N-ND2 2.85Å; R561-N565 PolarHBondContact O-N 2.73Å; R561-N565 VanDerWaalsContact O-N 3.08Å; R561-N565 PolarHBondContact O-ND2 3.4Å; H563-N565 VanDerWaalsContact C-N 3.34Å; H563-N565 PolarHBondContact O-N 2.88Å; N565-F569 HydrophobicContact CB-CD2 4.35Å; N565-F569 HydrophobicContact CB-CE2 4Å; N565-F569 VanDerWaalsContact O-CB 3.24Å; N565-F569 WeakPolarHBondContact O-CB 3.24Å; N565-F569 WeakPolarHBondContact O-CD2 3.41Å; N565-F569 WeakPolarHBondContact O-CG 3.46Å; N565-F569 PolarHBondContact O-N 2.95Å; N565-P584 HydrophobicContact CB-CB 4.47Å
566Q85.1Confident84.3Confident101 Ų10160.9 Ų60.947%0.47231%0.311SS..Hα-helixtrans-59-47.9175.3-77.7174.5-7.900112.2V562 H563 S570 P584V562-Q566 WeakPolarHBondContact O-CB 3.45Å; V562-Q566 VanDerWaalsContact O-CG 3.29Å; V562-Q566 WeakPolarHBondContact O-CG 3.07Å; V562-Q566 PolarHBondContact O-N 3.32Å; H563-Q566 PolarHBondContact O-N 2.71Å; Q566-S570 WeakPolarHBondContact O-CB 3.25Å; Q566-S570 PolarHBondContact O-N 2.68Å; Q566-S570 PolarHBondContact O-OG 3.03Å; Q566-P584 HydrophobicContact CG-CB 3.89Å; Q566-P584 HydrophobicContact CG-CG 3.38Å
567L86.3Confident83.8Confident49 Ų4962.2 Ų62.226%0.25733%0.331SS..Hα-helixtrans-57.7-57.4179.2177.461.9000110.3I551 L556 H563 F569 S570 V571I551-L567 HydrophobicContact CG2-CD2 4.27Å; L556-L567 HydrophobicContact CD2-CD2 3.89Å; H563-L567 WeakPolarHBondContact O-CB 3.21Å; H563-L567 PolarHBondContact O-N 3.01Å; L567-F569 PolarHBondContact O-N 3.2Å; L567-S570 PolarHBondContact O-N 3.04Å; L567-S570 VanDerWaalsContact O-N 3.14Å; L567-S570 PolarHBondContact O-OG 2.82Å; L567-V571 HydrophobicContact CD1-CG2 4.3Å; L567-V571 WeakPolarHBondContact O-CG2 3.4Å; L567-V571 PolarHBondContact O-N 3.21Å
568V87.9Confident84Confident0 Ų059 Ų590%031%0.314CS..Hα-helixtrans-67.3-35.5-175.474.80000113.2L539 I543 I551 N564 V571 I572L539-V568 HydrophobicContact CB-CB 4.36Å; L539-V568 HydrophobicContact CB-CG1 3.75Å; L539-V568 HydrophobicContact CB-CG2 3.78Å; L539-V568 HydrophobicContact CD1-CG1 4.03Å; I543-V568 HydrophobicContact CB-CG2 4.49Å; I543-V568 HydrophobicContact CG1-CG2 3.94Å; I551-V568 HydrophobicContact CD1-CB 4.35Å; I551-V568 HydrophobicContact CD1-CG2 3.89Å; N564-V568 WeakPolarHBondContact O-CG1 3.25Å; N564-V568 PolarHBondContact O-N 2.68Å; N564-V568 VanDerWaalsContact O-N 3.09Å; V568-V571 PolarHBondContact O-N 2.94Å; V568-I572 HydrophobicContact CG2-CD1 3.83Å; V568-I572 HydrophobicContact CG2-CG1 4.28Å; V568-I572 WeakPolarHBondContact O-CB 3.35Å; V568-I572 VanDerWaalsContact O-CG1 3.24Å; V568-I572 WeakPolarHBondContact O-CG1 3.3Å; V568-I572 PolarHBondContact O-N 3.31Å
569F87.9Confident83.9Confident12 Ų1259.6 Ų59.65%0.05332%0.324CS..Hα-helixtrans-64.8-38.7172.4-69.7-26.2000112.2L539 N565 L567 H573 P580 M582 Y596L539-F569 HydrophobicContact CD1-CD1 4.37Å; L539-F569 HydrophobicContact CD1-CE1 3.65Å; L539-F569 HydrophobicContact CD1-CZ 4.35Å; N565-F569 HydrophobicContact CB-CD2 4.35Å; N565-F569 HydrophobicContact CB-CE2 4Å; N565-F569 VanDerWaalsContact O-CB 3.24Å; N565-F569 WeakPolarHBondContact O-CB 3.24Å; N565-F569 WeakPolarHBondContact O-CD2 3.41Å; N565-F569 WeakPolarHBondContact O-CG 3.46Å; N565-F569 PolarHBondContact O-N 2.95Å; L567-F569 PolarHBondContact O-N 3.2Å; F569-H573 VanDerWaalsContact O-CB 3.24Å; F569-H573 WeakPolarHBondContact O-CB 3.45Å; F569-H573 PolarHBondContact O-N 3.19Å; F569-P580 HydrophobicContact CB-CB 4.02Å; F569-P580 HydrophobicContact CD1-CB 4.33Å; F569-P580 HydrophobicContact CD2-CB 4.36Å; F569-P580 HydrophobicContact CG-CB 4Å; F569-M582 HydrophobicContact CZ-CE 4Å; F569-Y596 HydrophobicContact CD1-CE1 4.07Å; F569-Y596 WeakPolarHBondContact CD1-OH 3.33Å; F569-Y596 AromaticContact CE1-CE1 3.79Å; F569-Y596 HydrophobicContact CE1-CE1 3.79Å
570S84.7Confident83.7Confident65 Ų6559 Ų5946%0.45531%0.313SS..Hα-helixtrans-66.6-40.9176.1770000112.2Q566 L567 K574Q566-S570 WeakPolarHBondContact O-CB 3.25Å; Q566-S570 PolarHBondContact O-N 2.68Å; Q566-S570 PolarHBondContact O-OG 3.03Å; L567-S570 PolarHBondContact O-N 3.04Å; L567-S570 VanDerWaalsContact O-N 3.14Å; L567-S570 PolarHBondContact O-OG 2.82Å; S570-K574 VanDerWaalsContact O-CB 3.23Å; S570-K574 WeakPolarHBondContact O-CB 3.28Å; S570-K574 PolarHBondContact O-N 2.94Å
571V86.6Confident82.8Confident16 Ų1657.7 Ų57.710%0.09731%0.309CS..Hα-helixtrans-66.4-48.6176.3170.80000110.9I543 L550 I551 L567 V568 H573 K574 E575I543-V571 HydrophobicContact CG2-CG1 4.07Å; L550-V571 HydrophobicContact CB-CG1 3.89Å; L550-V571 HydrophobicContact CD1-CG1 4.02Å; I551-V571 HydrophobicContact CD1-CG1 4.43Å; I551-V571 HydrophobicContact CG1-CG1 4.29Å; I551-V571 HydrophobicContact CG1-CG2 4.27Å; L567-V571 HydrophobicContact CD1-CG2 4.3Å; L567-V571 WeakPolarHBondContact O-CG2 3.4Å; L567-V571 PolarHBondContact O-N 3.21Å; V568-V571 PolarHBondContact O-N 2.94Å; V571-H573 VanDerWaalsContact C-N 3.33Å; V571-H573 PolarHBondContact O-N 3.32Å; V571-K574 PolarHBondContact O-N 3.17Å; V571-E575 HydrophobicContact CG1-CG 4.25Å; V571-E575 VanDerWaalsContact O-CB 3.25Å; V571-E575 WeakPolarHBondContact O-CB 3.11Å; V571-E575 WeakPolarHBondContact O-CG 3.25Å; V571-E575 PolarHBondContact O-N 2.82Å
572I86.8Confident82Confident1 Ų153 Ų531%0.00529%0.293CS..Hα-helixtrans-60.6-43177.9-71.5167.7000111.1I543 V568 L576 G577 I578 Y596 I600I543-I572 HydrophobicContact CD1-CD1 4.01Å; I543-I572 HydrophobicContact CD1-CG1 3.71Å; I543-I572 HydrophobicContact CG1-CD1 3.92Å; I543-I572 HydrophobicContact CG1-CG1 3.8Å; V568-I572 HydrophobicContact CG2-CD1 3.83Å; V568-I572 HydrophobicContact CG2-CG1 4.28Å; V568-I572 WeakPolarHBondContact O-CB 3.35Å; V568-I572 VanDerWaalsContact O-CG1 3.24Å; V568-I572 WeakPolarHBondContact O-CG1 3.3Å; V568-I572 PolarHBondContact O-N 3.31Å; I572-L576 HydrophobicContact CG1-CD1 4.38Å; I572-L576 HydrophobicContact CG2-CD1 4.36Å; I572-L576 CarbonylContact O-C 3.49Å; I572-L576 WeakPolarHBondContact O-CA 3.49Å; I572-L576 WeakPolarHBondContact O-CB 3.29Å; I572-L576 PolarHBondContact O-N 3.16Å; I572-G577 PolarHBondContact O-N 3.15Å; I572-I578 HydrophobicContact CG2-CB 3.8Å; I572-I578 HydrophobicContact CG2-CD1 4.23Å; I572-I578 HydrophobicContact CG2-CG1 4.4Å; I572-Y596 HydrophobicContact CD1-CE1 4.34Å; I572-Y596 HydrophobicContact CG2-CE2 4.44Å; I572-Y596 WeakPolarHBondContact CG2-OH 3.44Å; I572-I600 HydrophobicContact CD1-CD1 3.81Å; I572-I600 HydrophobicContact CD1-CG1 4.35Å; I572-I600 HydrophobicContact CG2-CG1 4.43Å
573H85.3Confident80.9Confident105 Ų10551.7 Ų51.749%0.48629%0.287SS..Hα-helixtrans-66.4-41.7179.1-175.5-134.1000112.4F569 V571 G577 I578F569-H573 VanDerWaalsContact O-CB 3.24Å; F569-H573 WeakPolarHBondContact O-CB 3.45Å; F569-H573 PolarHBondContact O-N 3.19Å; V571-H573 VanDerWaalsContact C-N 3.33Å; V571-H573 PolarHBondContact O-N 3.32Å; H573-G577 VanDerWaalsContact O-CA 3.27Å; H573-G577 WeakPolarHBondContact O-CA 3.42Å; H573-G577 PolarHBondContact O-N 3.11Å; H573-I578 WeakPolarHBondContact CA-O 3.43Å
574K84Confident79.4Confident164 Ų16448.9 Ų48.971%0.71328%0.278SS*.Hα-helixtrans-76.2-40.4-178.5-175.6173.9169.9-81.90113.6S570 V571S570-K574 VanDerWaalsContact O-CB 3.23Å; S570-K574 WeakPolarHBondContact O-CB 3.28Å; S570-K574 PolarHBondContact O-N 2.94Å; V571-K574 PolarHBondContact O-N 3.17Å
575E83.2Confident77.7Confident66 Ų6654 Ų5431%0.30831%0.314SS..Hα-helixtrans-105.3-15.7-167.2-55.2-62.4150.400114.2R547 L550 V571R547-E575 PolarHBondContact NH1-O 2.96Å; L550-E575 HydrophobicContact CD1-CB 3.82Å; L550-E575 HydrophobicContact CD1-CG 3.88Å; L550-E575 HydrophobicContact CD2-CG 3.91Å; V571-E575 HydrophobicContact CG1-CG 4.25Å; V571-E575 VanDerWaalsContact O-CB 3.25Å; V571-E575 WeakPolarHBondContact O-CB 3.11Å; V571-E575 WeakPolarHBondContact O-CG 3.25Å; V571-E575 PolarHBondContact O-N 2.82Å
576L80.6Confident76.3Confident31 Ų3156.2 Ų56.216%0.16233%0.331CS..Hα-helixtrans-120.5-9.6173.4-55.7176.5000113I543 I572 I578 A603 V604I543-L576 HydrophobicContact CD1-CD1 3.89Å; I572-L576 HydrophobicContact CG1-CD1 4.38Å; I572-L576 HydrophobicContact CG2-CD1 4.36Å; I572-L576 CarbonylContact O-C 3.49Å; I572-L576 WeakPolarHBondContact O-CA 3.49Å; I572-L576 WeakPolarHBondContact O-CB 3.29Å; I572-L576 PolarHBondContact O-N 3.16Å; L576-I578 HydrophobicContact CB-CD1 4.05Å; L576-I578 HydrophobicContact CB-CG1 4.04Å; L576-I578 HydrophobicContact CD1-CD1 4.34Å; L576-I578 PolarHBondContact O-N 3.43Å; L576-A603 HydrophobicContact CB-CB 4.27Å; L576-A603 HydrophobicContact CD1-CB 4.45Å; L576-A603 HydrophobicContact CD2-CB 4.25Å; L576-V604 HydrophobicContact CD1-CG1 3.76Å; L576-V604 HydrophobicContact CD2-CG1 4.14Å
577G77.6Confident75Confident56 Ų5660.2 Ų60.258%0.57735%0.349SS*.  trans72.211.2-179.900000114.8I572 H573I572-G577 PolarHBondContact O-N 3.15Å; H573-G577 VanDerWaalsContact O-CA 3.27Å; H573-G577 WeakPolarHBondContact O-CA 3.42Å; H573-G577 PolarHBondContact O-N 3.11Å
578I84.1Confident73.8Confident14 Ų1459.1 Ų59.17%0.07234%0.343CS..  trans-92.5114.9-177-47.8169.7000108.8I572 H573 L576 Y596 Q599 I600 A603I572-I578 HydrophobicContact CG2-CB 3.8Å; I572-I578 HydrophobicContact CG2-CD1 4.23Å; I572-I578 HydrophobicContact CG2-CG1 4.4Å; H573-I578 WeakPolarHBondContact CA-O 3.43Å; L576-I578 HydrophobicContact CB-CD1 4.05Å; L576-I578 HydrophobicContact CB-CG1 4.04Å; L576-I578 HydrophobicContact CD1-CD1 4.34Å; L576-I578 PolarHBondContact O-N 3.43Å; I578-Y596 HydrophobicContact CB-CE2 4.49Å; I578-Y596 HydrophobicContact CG2-CD2 3.98Å; I578-Y596 HydrophobicContact CG2-CE2 3.68Å; I578-Q599 HydrophobicContact CD1-CB 4.05Å; I578-Q599 WeakPolarHBondContact CD1-O 3.39Å; I578-Q599 HydrophobicContact CG2-CB 4.1Å; I578-I600 HydrophobicContact CD1-CB 4.48Å; I578-I600 HydrophobicContact CD1-CG1 3.91Å; I578-A603 HydrophobicContact CD1-CB 3.89Å
579P76.6Confident72.9Confident81 Ų8162.7 Ų62.753%0.52636%0.363SS..  trans-65.4144.2179.328.1-34.7000111.1V581 Y596P579-V581 PolarHBondContact O-N 2.77Å; P579-Y596 WeakPolarHBondContact O-CE2 3.27Å
580P74.3Confident72.3Confident60 Ų6068.2 Ų68.239%0.3939%0.386SS..  trans-64.3131.8178.227-33.8000110.9F569 M582F569-P580 HydrophobicContact CB-CB 4.02Å; F569-P580 HydrophobicContact CD1-CB 4.33Å; F569-P580 HydrophobicContact CD2-CB 4.36Å; F569-P580 HydrophobicContact CG-CB 4Å; P580-M582 VanDerWaalsContact C-N 3.29Å; P580-M582 PolarHBondContact O-N 2.9Å
581V64.4Low71.9Confident61 Ų6171.1 Ų71.137%0.3740%0.396SS..SBendtrans-80.8-9.6-177.9167.90000112.5P579 Y596P579-V581 PolarHBondContact O-N 2.77Å; V581-Y596 HydrophobicContact CB-CD2 4.09Å; V581-Y596 HydrophobicContact CB-CG 4.27Å; V581-Y596 HydrophobicContact CG2-CD2 3.45Å; V581-Y596 VanDerWaalsContact CG2-CD2 3.45Å; V581-Y596 HydrophobicContact CG2-CE2 4.13Å; V581-Y596 HydrophobicContact CG2-CG 3.97Å
582M65.4Low71.6Confident32 Ų3272.4 Ų72.416%0.15841%0.406CS..SBendtrans-145.5163.4-173.4-55.6-176.1-56.500111.2F569 P580 I588 M593F569-M582 HydrophobicContact CZ-CE 4Å; P580-M582 VanDerWaalsContact C-N 3.29Å; P580-M582 PolarHBondContact O-N 2.9Å; M582-I588 HydrophobicContact CE-CD1 4Å; M582-I588 HydrophobicContact CE-CG1 3.87Å; M582-I588 HydrophobicContact CE-CG2 4.36Å; M582-I588 HydrophobicContact SD-CB 4.07Å; M582-I588 HydrophobicContact SD-CG1 3.8Å; M582-I588 HydrophobicContact SD-CG2 3.96Å; M582-M593 HydrophobicContact CE-CE 3.62Å
583S59.6Low71.5Confident53 Ų5372.4 Ų72.437%0.37141%0.406SS..  trans-81164.6161.382.10000110.3S585 S586S583-S585 PolarHBondContact O-N 3.44Å; S583-S585 PolarHBondContact OG-N 3.18Å; S583-S585 PolarHBondContact OG-OG 2.94Å; S583-S585 VanDerWaalsContact OG-OG 3.12Å; S583-S586 PolarHBondContact N-OG 3.49Å; S583-S586 PolarHBondContact O-OG 3.02Å; S583-S586 PolarHBondContact OG-N 3.48Å; S583-S586 PolarHBondContact OG-OG 2.86Å
584P53.5Low71.4Confident46 Ų4668.3 Ų68.330%0.29939%0.388SS..THydrogen-bonded Turntrans-64.3-1.2173.6-21.734000115.6V562 N565 Q566V562-P584 HydrophobicContact CG1-CB 4.07Å; N565-P584 HydrophobicContact CB-CB 4.47Å; Q566-P584 HydrophobicContact CG-CB 3.89Å; Q566-P584 HydrophobicContact CG-CG 3.38Å
585S52.2Low71.3Confident109 Ų10965.3 Ų65.376%0.76238%0.379SS*.THydrogen-bonded Turntrans-131.4-0.2-170.856.40000115.1S583S583-S585 PolarHBondContact O-N 3.44Å; S583-S585 PolarHBondContact OG-N 3.18Å; S583-S585 PolarHBondContact OG-OG 2.94Å; S583-S585 VanDerWaalsContact OG-OG 3.12Å
586S56.5Low71.5Confident59 Ų5962.2 Ų62.241%0.41337%0.365SS..SBendtrans-93.5155.5-177.353.90000113.8S583S583-S586 PolarHBondContact N-OG 3.49Å; S583-S586 PolarHBondContact O-OG 3.02Å; S583-S586 PolarHBondContact OG-N 3.48Å; S583-S586 PolarHBondContact OG-OG 2.86Å
587Q57.7Low71.9Confident185 Ų18560.8 Ų60.886%0.86436%0.357SS*.  trans-66.1142.7175.3-72-168.5100111.8
588I61Low72.3Confident26 Ų2660.5 Ų60.513%0.13334%0.344CS..  trans-88.9110.2-175.5-53.1-171.6000110.7W533 K534 M582 M593W533-I588 HydrophobicContact CB-CD1 4.43Å; K534-I588 HydrophobicContact CB-CD1 4.43Å; K534-I588 HydrophobicContact CG-CD1 3.57Å; K534-I588 HydrophobicContact CG-CG1 4.24Å; M582-I588 HydrophobicContact CE-CD1 4Å; M582-I588 HydrophobicContact CE-CG1 3.87Å; M582-I588 HydrophobicContact CE-CG2 4.36Å; M582-I588 HydrophobicContact SD-CB 4.07Å; M582-I588 HydrophobicContact SD-CG1 3.8Å; M582-I588 HydrophobicContact SD-CG2 3.96Å; I588-M593 HydrophobicContact CD1-CE 4.07Å; I588-M593 HydrophobicContact CG2-CB 3.86Å; I588-M593 HydrophobicContact CG2-CE 3.67Å; I588-M593 HydrophobicContact CG2-CG 4.29Å
589D68.8Low72.4Confident75 Ų7563.3 Ų63.340%0.40136%0.357SS..  trans-72137163.6163.849.6000111.3L591 S592 M593D589-L591 PolarHBondContact OD1-N 2.78Å; D589-L591 PolarHBondContact OD2-N 3.1Å; D589-S592 VanDerWaalsContact OD2-CB 3.25Å; D589-S592 WeakPolarHBondContact OD2-CB 3.43Å; D589-S592 PolarHBondContact OD2-N 3.42Å; D589-S592 PolarHBondContact OD2-OG 3.4Å; D589-M593 WeakPolarHBondContact O-CB 3.46Å; D589-M593 PolarHBondContact O-N 3.07Å
590K76.3Confident72.8Confident127 Ų12759.4 Ų59.455%0.55233%0.332SS*.Hα-helixtrans-68.6-34.4-177.1-171.5175.4-179.5173.90113F529 V594F529-K590 HydrophobicContact CB-CG 4.14Å; K590-V594 WeakPolarHBondContact O-CG2 3.25Å; K590-V594 PolarHBondContact O-N 3.24Å
591L76Confident73.4Confident126 Ų12658.2 Ų58.266%0.6632%0.321SS*.Hα-helixtrans-74.5-42.6178.8-69.2171.5000110.9D589 V594 L595D589-L591 PolarHBondContact OD1-N 2.78Å; D589-L591 PolarHBondContact OD2-N 3.1Å; L591-V594 PolarHBondContact O-N 3.17Å; L591-L595 PolarHBondContact O-N 2.89Å
592S79.3Confident74.2Confident43 Ų4359.7 Ų59.730%0.30133%0.326SS..Hα-helixtrans-60-44.2175.2-590000112D589 L595 Y596D589-S592 VanDerWaalsContact OD2-CB 3.25Å; D589-S592 WeakPolarHBondContact OD2-CB 3.43Å; D589-S592 PolarHBondContact OD2-N 3.42Å; D589-S592 PolarHBondContact OD2-OG 3.4Å; S592-L595 PolarHBondContact O-N 3.48Å; S592-Y596 PolarHBondContact O-N 3.48Å
593M84.9Confident75Confident2 Ų259.5 Ų59.51%0.0133%0.33CS..Hα-helixtrans-64.8-42.2175.9-177.353.668.200112.7F529 W533 M582 I588 D589 L595 Y596 L597F529-M593 HydrophobicContact CB-CG 4.34Å; F529-M593 WeakPolarHBondContact O-CB 3.04Å; F529-M593 WeakPolarHBondContact O-CG 3.39Å; W533-M593 HydrophobicContact CB-CE 3.91Å; W533-M593 HydrophobicContact CB-SD 4.28Å; W533-M593 HydrophobicContact CD2-SD 4.37Å; W533-M593 HydrophobicContact CG-CE 4.36Å; W533-M593 HydrophobicContact CG-CG 4.35Å; W533-M593 HydrophobicContact CG-SD 4.1Å; M582-M593 HydrophobicContact CE-CE 3.62Å; I588-M593 HydrophobicContact CD1-CE 4.07Å; I588-M593 HydrophobicContact CG2-CB 3.86Å; I588-M593 HydrophobicContact CG2-CE 3.67Å; I588-M593 HydrophobicContact CG2-CG 4.29Å; D589-M593 WeakPolarHBondContact O-CB 3.46Å; D589-M593 PolarHBondContact O-N 3.07Å; M593-L595 VanDerWaalsContact C-N 3.34Å; M593-L595 PolarHBondContact O-N 2.97Å; M593-Y596 PolarHBondContact O-N 2.68Å; M593-L597 HydrophobicContact CG-CD1 3.78Å; M593-L597 HydrophobicContact CG-CG 4.37Å; M593-L597 WeakPolarHBondContact O-CB 3.3Å; M593-L597 VanDerWaalsContact O-CG 3.31Å; M593-L597 WeakPolarHBondContact O-CG 3.39Å; M593-L597 PolarHBondContact O-N 3.09Å; M593-L597 HydrophobicContact SD-CD1 3.75Å; M593-L597 HydrophobicContact SD-CD2 4.4Å; M593-L597 HydrophobicContact SD-CG 3.81Å
594V83.3Confident75.8Confident19 Ų1957.9 Ų57.912%0.11532%0.318CS..Hα-helixtrans-61.5-42.4174.9167.80000111.6F507 L510 F529 K590 L591 T598F507-V594 HydrophobicContact CD1-CG1 3.99Å; F507-V594 HydrophobicContact CD1-CG2 4.01Å; F507-V594 HydrophobicContact CE1-CB 4.35Å; F507-V594 HydrophobicContact CE1-CG1 3.76Å; F507-V594 HydrophobicContact CE1-CG2 4.07Å; L510-V594 HydrophobicContact CD2-CG1 3.91Å; F529-V594 HydrophobicContact CB-CG2 3.91Å; F529-V594 HydrophobicContact CD1-CG2 4.05Å; F529-V594 HydrophobicContact CD2-CG2 3.51Å; F529-V594 HydrophobicContact CE1-CG2 4.4Å; F529-V594 HydrophobicContact CE2-CG2 3.91Å; F529-V594 HydrophobicContact CG-CG2 3.57Å; F529-V594 HydrophobicContact CZ-CG2 4.32Å; K590-V594 WeakPolarHBondContact O-CG2 3.25Å; K590-V594 PolarHBondContact O-N 3.24Å; L591-V594 PolarHBondContact O-N 3.17Å; V594-T598 WeakPolarHBondContact O-CB 3.33Å; V594-T598 PolarHBondContact O-N 3.23Å; V594-T598 PolarHBondContact O-OG1 2.82Å
595L81.6Confident76.7Confident100 Ų10059.4 Ų59.452%0.52433%0.327SS..Hα-helixtrans-61.7-45.5177.5-179.261.8000111.3L591 S592 M593 T598 Q599L591-L595 PolarHBondContact O-N 2.89Å; S592-L595 PolarHBondContact O-N 3.48Å; M593-L595 VanDerWaalsContact C-N 3.34Å; M593-L595 PolarHBondContact O-N 2.97Å; L595-T598 PolarHBondContact O-N 3.26Å; L595-Q599 WeakPolarHBondContact O-CG 3.31Å; L595-Q599 PolarHBondContact O-N 3.44Å
596Y86.9Confident77Confident2 Ų260 Ų601%0.00832%0.321CS..Hα-helixtrans-63.9-46.3179.3-166.6-125.1000112.2L539 F569 I572 I578 P579 V581 S592 M593 T598 Q599 I600L539-Y596 HydrophobicContact CD1-CE1 4.42Å; F569-Y596 HydrophobicContact CD1-CE1 4.07Å; F569-Y596 WeakPolarHBondContact CD1-OH 3.33Å; F569-Y596 AromaticContact CE1-CE1 3.79Å; F569-Y596 HydrophobicContact CE1-CE1 3.79Å; I572-Y596 HydrophobicContact CD1-CE1 4.34Å; I572-Y596 HydrophobicContact CG2-CE2 4.44Å; I572-Y596 WeakPolarHBondContact CG2-OH 3.44Å; I578-Y596 HydrophobicContact CB-CE2 4.49Å; I578-Y596 HydrophobicContact CG2-CD2 3.98Å; I578-Y596 HydrophobicContact CG2-CE2 3.68Å; P579-Y596 WeakPolarHBondContact O-CE2 3.27Å; V581-Y596 HydrophobicContact CB-CD2 4.09Å; V581-Y596 HydrophobicContact CB-CG 4.27Å; V581-Y596 HydrophobicContact CG2-CD2 3.45Å; V581-Y596 VanDerWaalsContact CG2-CD2 3.45Å; V581-Y596 HydrophobicContact CG2-CE2 4.13Å; V581-Y596 HydrophobicContact CG2-CG 3.97Å; S592-Y596 PolarHBondContact O-N 3.48Å; M593-Y596 PolarHBondContact O-N 2.68Å; Y596-T598 VanDerWaalsContact C-N 3.3Å; Y596-T598 PolarHBondContact O-N 3.48Å; Y596-Q599 PolarHBondContact O-N 3.49Å; Y596-I600 HydrophobicContact CD1-CD1 3.74Å; Y596-I600 HydrophobicContact CE1-CD1 3.7Å; Y596-I600 HydrophobicContact CG-CD1 4.24Å; Y596-I600 WeakPolarHBondContact O-CG1 3.17Å; Y596-I600 PolarHBondContact O-N 3.09Å
597L89.2Confident76.5Confident0 Ų062.5 Ų62.50%034%0.335CS..Hα-helixtrans-66.1-30.3177.2-69.3168.8000113L510 F529 W533 L539 L542 M593 I600 K601L510-L597 HydrophobicContact CD1-CB 4.41Å; L510-L597 HydrophobicContact CD2-CB 4.18Å; F529-L597 HydrophobicContact CD1-CD1 3.59Å; F529-L597 HydrophobicContact CE1-CD1 3.9Å; W533-L597 HydrophobicContact CD2-CD1 4.16Å; W533-L597 HydrophobicContact CD2-CD2 4.46Å; W533-L597 HydrophobicContact CE3-CD2 4.06Å; W533-L597 HydrophobicContact CH2-CD1 3.91Å; W533-L597 HydrophobicContact CH2-CD2 3.46Å; W533-L597 VanDerWaalsContact CH2-CD2 3.46Å; W533-L597 HydrophobicContact CH2-CG 4.35Å; W533-L597 HydrophobicContact CZ2-CD1 3.43Å; W533-L597 VanDerWaalsContact CZ2-CD1 3.43Å; W533-L597 HydrophobicContact CZ2-CD2 3.93Å; W533-L597 HydrophobicContact CZ2-CG 4.35Å; W533-L597 HydrophobicContact CZ3-CD1 4.47Å; W533-L597 HydrophobicContact CZ3-CD2 3.57Å; L539-L597 HydrophobicContact CD2-CD2 3.76Å; L542-L597 HydrophobicContact CD2-CD2 4.09Å; M593-L597 HydrophobicContact CG-CD1 3.78Å; M593-L597 HydrophobicContact CG-CG 4.37Å; M593-L597 WeakPolarHBondContact O-CB 3.3Å; M593-L597 VanDerWaalsContact O-CG 3.31Å; M593-L597 WeakPolarHBondContact O-CG 3.39Å; M593-L597 PolarHBondContact O-N 3.09Å; M593-L597 HydrophobicContact SD-CD1 3.75Å; M593-L597 HydrophobicContact SD-CD2 4.4Å; M593-L597 HydrophobicContact SD-CG 3.81Å; L597-I600 HydrophobicContact CD2-CD1 4.4Å; L597-K601 WeakPolarHBondContact O-CB 3.43Å; L597-K601 PolarHBondContact O-N 2.89Å
598T87.2Confident75.9Confident50 Ų5058.8 Ų58.831%0.30733%0.328SS..Hα-helixtrans-67.5-45.5172.6-540000110.7V594 L595 Y596 I600 K601 D602V594-T598 WeakPolarHBondContact O-CB 3.33Å; V594-T598 PolarHBondContact O-N 3.23Å; V594-T598 PolarHBondContact O-OG1 2.82Å; L595-T598 PolarHBondContact O-N 3.26Å; Y596-T598 VanDerWaalsContact C-N 3.3Å; Y596-T598 PolarHBondContact O-N 3.48Å; T598-I600 VanDerWaalsContact C-N 3.32Å; T598-I600 PolarHBondContact O-N 3.07Å; T598-K601 WeakPolarHBondContact O-CB 3.5Å; T598-K601 PolarHBondContact O-N 3Å; T598-D602 PolarHBondContact O-N 3.27Å
599Q84.8Confident74.8Confident73 Ų7367.4 Ų67.434%0.34136%0.364SS..Hα-helixtrans-60.8-40.9175.4-69.3169.6-6.500112I578 L595 Y596 D602 A603I578-Q599 HydrophobicContact CD1-CB 4.05Å; I578-Q599 WeakPolarHBondContact CD1-O 3.39Å; I578-Q599 HydrophobicContact CG2-CB 4.1Å; L595-Q599 WeakPolarHBondContact O-CG 3.31Å; L595-Q599 PolarHBondContact O-N 3.44Å; Y596-Q599 PolarHBondContact O-N 3.49Å; Q599-D602 PolarHBondContact O-N 3.36Å; Q599-A603 VanDerWaalsContact O-CB 3.31Å; Q599-A603 WeakPolarHBondContact O-CB 3.31Å; Q599-A603 PolarHBondContact O-N 3.18Å
600I86.2Confident73.1Confident0 Ų072.9 Ų72.90%039%0.387CS..Hα-helixtrans-63.3-48.2174.6-66.5161.3000110.3L539 L542 I543 I572 I578 Y596 L597 T598 D602 A603 V604L539-I600 HydrophobicContact CD2-CD1 4.14Å; L542-I600 HydrophobicContact CD2-CG2 4.05Å; I543-I600 HydrophobicContact CD1-CG2 3.92Å; I572-I600 HydrophobicContact CD1-CD1 3.81Å; I572-I600 HydrophobicContact CD1-CG1 4.35Å; I572-I600 HydrophobicContact CG2-CG1 4.43Å; I578-I600 HydrophobicContact CD1-CB 4.48Å; I578-I600 HydrophobicContact CD1-CG1 3.91Å; Y596-I600 HydrophobicContact CD1-CD1 3.74Å; Y596-I600 HydrophobicContact CE1-CD1 3.7Å; Y596-I600 HydrophobicContact CG-CD1 4.24Å; Y596-I600 WeakPolarHBondContact O-CG1 3.17Å; Y596-I600 PolarHBondContact O-N 3.09Å; L597-I600 HydrophobicContact CD2-CD1 4.4Å; T598-I600 VanDerWaalsContact C-N 3.32Å; T598-I600 PolarHBondContact O-N 3.07Å; I600-D602 VanDerWaalsContact C-N 3.33Å; I600-D602 PolarHBondContact O-N 2.84Å; I600-A603 PolarHBondContact O-N 2.91Å; I600-A603 VanDerWaalsContact O-N 3.16Å; I600-V604 HydrophobicContact CG2-CG1 4.15Å; I600-V604 WeakPolarHBondContact O-CG1 3.22Å; I600-V604 WeakPolarHBondContact O-CG2 3.48Å; I600-V604 PolarHBondContact O-N 3.31Å
601K85.9Confident71.8Confident35 Ų3573.1 Ų73.115%0.15240%0.402CS..Hα-helixtrans-53.4-49176.8176.9179.8176.7-168.10111.7E509 L510 W513 L597 T598 A603 T605E509-K601 IonicContact OE1-NZ 3.12Å; E509-K601 PolarHBondContact OE1-NZ 2.85Å; L510-K601 HydrophobicContact CD1-CB 4.31Å; L510-K601 HydrophobicContact CD1-CD 3.85Å; W513-K601 HydrophobicContact CD2-CB 4.38Å; W513-K601 HydrophobicContact CD2-CD 3.93Å; W513-K601 HydrophobicContact CD2-CG 3.92Å; W513-K601 HydrophobicContact CE3-CB 4.08Å; W513-K601 HydrophobicContact CE3-CD 4.15Å; W513-K601 HydrophobicContact CE3-CG 4.11Å; W513-K601 HydrophobicContact CG-CD 4.2Å; W513-K601 HydrophobicContact CH2-CB 3.69Å; W513-K601 HydrophobicContact CH2-CG 4.04Å; W513-K601 HydrophobicContact CZ2-CB 3.98Å; W513-K601 HydrophobicContact CZ2-CG 3.81Å; W513-K601 HydrophobicContact CZ3-CB 3.71Å; W513-K601 HydrophobicContact CZ3-CG 4.16Å; L597-K601 WeakPolarHBondContact O-CB 3.43Å; L597-K601 PolarHBondContact O-N 2.89Å; T598-K601 WeakPolarHBondContact O-CB 3.5Å; T598-K601 PolarHBondContact O-N 3Å; K601-A603 VanDerWaalsContact C-N 3.34Å; K601-A603 PolarHBondContact O-N 2.86Å; K601-T605 WeakPolarHBondContact O-CB 3.36Å; K601-T605 VanDerWaalsContact O-CG2 3.32Å; K601-T605 WeakPolarHBondContact O-CG2 3.32Å; K601-T605 PolarHBondContact O-N 3.34Å; K601-T605 VanDerWaalsContact O-N 3.13Å; K601-T605 PolarHBondContact O-OG1 2.86Å
602D82.3Confident69.7Low91 Ų9172.2 Ų72.249%0.48741%0.412SS..Hα-helixtrans-66.8-35.7-179-65.8-13.7000111.7T598 Q599 I600 L606T598-D602 PolarHBondContact O-N 3.27Å; Q599-D602 PolarHBondContact O-N 3.36Å; I600-D602 VanDerWaalsContact C-N 3.33Å; I600-D602 PolarHBondContact O-N 2.84Å; D602-L606 WeakPolarHBondContact O-CD1 3.43Å; D602-L606 WeakPolarHBondContact O-CG 3.28Å
603A81.4Confident67.4Low29 Ų2973.5 Ų73.524%0.2443%0.433CS..Hα-helixtrans-78-29.1-179.700000114.7L576 I578 Q599 I600 K601L576-A603 HydrophobicContact CB-CB 4.27Å; L576-A603 HydrophobicContact CD1-CB 4.45Å; L576-A603 HydrophobicContact CD2-CB 4.25Å; I578-A603 HydrophobicContact CD1-CB 3.89Å; Q599-A603 VanDerWaalsContact O-CB 3.31Å; Q599-A603 WeakPolarHBondContact O-CB 3.31Å; Q599-A603 PolarHBondContact O-N 3.18Å; I600-A603 PolarHBondContact O-N 2.91Å; I600-A603 VanDerWaalsContact O-N 3.16Å; K601-A603 VanDerWaalsContact C-N 3.34Å; K601-A603 PolarHBondContact O-N 2.86Å
604V76.9Confident65.6Low19 Ų1979 Ų7912%0.11547%0.469CS..Hα-helixtrans-92.2-15.2178.4-55.20000113.7W513 I543 F546 L576 I600W513-V604 HydrophobicContact CH2-CG2 3.89Å; W513-V604 HydrophobicContact CZ2-CG2 3.82Å; I543-V604 HydrophobicContact CD1-CG1 4.38Å; F546-V604 HydrophobicContact CB-CB 4.01Å; F546-V604 HydrophobicContact CB-CG1 4.45Å; F546-V604 HydrophobicContact CB-CG2 4.47Å; F546-V604 HydrophobicContact CD1-CB 4.46Å; F546-V604 HydrophobicContact CD1-CG2 4.26Å; F546-V604 HydrophobicContact CD2-CB 3.94Å; F546-V604 HydrophobicContact CD2-CG1 4.48Å; F546-V604 HydrophobicContact CD2-CG2 3.46Å; F546-V604 VanDerWaalsContact CD2-CG2 3.46Å; F546-V604 HydrophobicContact CE1-CG2 4.42Å; F546-V604 HydrophobicContact CE2-CG2 3.65Å; F546-V604 HydrophobicContact CG-CB 3.88Å; F546-V604 HydrophobicContact CG-CG2 3.81Å; F546-V604 HydrophobicContact CZ-CG2 4.13Å; L576-V604 HydrophobicContact CD1-CG1 3.76Å; L576-V604 HydrophobicContact CD2-CG1 4.14Å; I600-V604 HydrophobicContact CG2-CG1 4.15Å; I600-V604 WeakPolarHBondContact O-CG1 3.22Å; I600-V604 WeakPolarHBondContact O-CG2 3.48Å; I600-V604 PolarHBondContact O-N 3.31Å
605T71.5Confident63.4Low78 Ų7886.2 Ų86.248%0.47951%0.505SS..Hα-helixtrans-92.9-7.4178.154.80000113.9W513 K601W513-T605 HydrophobicContact CZ2-CG2 4.23Å; K601-T605 WeakPolarHBondContact O-CB 3.36Å; K601-T605 VanDerWaalsContact O-CG2 3.32Å; K601-T605 WeakPolarHBondContact O-CG2 3.32Å; K601-T605 PolarHBondContact O-N 3.34Å; K601-T605 VanDerWaalsContact O-N 3.13Å; K601-T605 PolarHBondContact O-OG1 2.86Å
606L58.5Low61.4Low121 Ų12187 Ų8763%0.63452%0.517SS*.SBendtrans-93.4138.1171-69.4171.3000111.2D602D602-L606 WeakPolarHBondContact O-CD1 3.43Å; D602-L606 WeakPolarHBondContact O-CG 3.28Å
607P47.3Very low59.3Low111 Ų11192 Ų9272%0.72155%0.549SS*.PPolyproline II helixtrans-68.8148-177.927.8-34.7000112.1
608P44.9Very low56.5Low108 Ų10898 Ų9870%0.70159%0.586SS**PPolyproline II helixtrans-60.2144.3177-21.633000112.6
609K37.5Very low53.7Low207 Ų207102.9 Ų102.990%0.962%0.616SS**PPolyproline II helixtrans-95.9131165.6-74.7-173.6173.8-175.90109.9
610E32.8Very low51Low190 Ų190104.8 Ų104.889%0.88864%0.637SS**PPolyproline II helixtrans-71.7153173.3-64.1-174.9147.100112
611P50.3Low48.2Very low132 Ų132112.5 Ų112.586%0.85768%0.678SS**PPolyproline II helixtrans-93.9116.7-174.534.4-32.6000113.8
612A31.7Very low45.6Very low106 Ų106115.1 Ų115.188%0.87670%0.701SS**  trans-151.6148.9161.500000110.9
613G31.4Very low43.2Very low71 Ų71116.6 Ų116.673%0.73271%0.708SS**  trans-119.6-159.3171.300000111.6
614P45.5Very low41.1Very low118 Ų118120 Ų12077%0.76673%0.73SS**  cis-140.1121.9-8.235.1-14.7000115.4
615L38.3Very low39.2Very low169 Ų169131 Ų13189%0.88577%0.769SS**  trans62.2168.4159.2-64.1169.4000117.7
616P39.4Very low37.7Very low117 Ų117131 Ų13176%0.7677%0.769SS**  cis-113.1-127-5.932.1-9.3000112.5
617P42.5Very low36.5Very low106 Ų106132.1 Ų132.169%0.68877%0.769SS**  -124.6-177-12839.1-17.8000117.2
618T31.3Very low36.2Very low127 Ų127131.9 Ų131.978%0.77977%0.77SS**  trans61.894.6165.353.70000118.9
619T28.3Very low35.9Very low153 Ų153129.7 Ų129.794%0.93976%0.761SS**  -168.6123.4111.5170000110
620S27.4Very low35.9Very low112 Ų112124.2 Ų124.278%0.78374%0.744SS**  trans-121.7128.8177.360.30000111
621L27.9Very low36.1Very low163 Ų163121.9 Ų121.985%0.85373%0.732SS**  trans173.3149.6155-92.9161.5000105.7
622S29.9Very low35.5Very low90 Ų90122.5 Ų122.563%0.62972%0.721SS**  cis-132.3147.216.8-176.50000112.2
623L33.1Very low35.8Very low121 Ų121122.8 Ų122.863%0.63471%0.707SS**  trans-142.791.7173.7-142.6146.8000109.4T626 K627L623-T626 VanDerWaalsContact CD2-OG1 3.25Å; L623-T626 WeakPolarHBondContact CD2-OG1 3.28Å; L623-K627 WeakPolarHBondContact O-CE 3.46Å
624S37.4Very low36Very low101 Ų101121.9 Ų121.971%0.70669%0.69SS**  trans-12139.3-162.550.90000114
625R37.3Very low35.6Very low249 Ų249122.3 Ų122.394%0.9468%0.68SS**SBendtrans-141.1-6.7169.9-118.8173-177-177.8-0.6118
626T39.3Very low35.6Very low79 Ų79118.6 Ų118.649%0.48566%0.66SS.*SBendtrans-107.4-4.7179.247.10000114.8L623 S628 A629 V630L623-T626 VanDerWaalsContact CD2-OG1 3.25Å; L623-T626 WeakPolarHBondContact CD2-OG1 3.28Å; T626-S628 VanDerWaalsContact C-N 3.29Å; T626-S628 PolarHBondContact O-N 3.38Å; T626-A629 PolarHBondContact O-N 3.16Å; T626-V630 PolarHBondContact O-N 3.03Å
627K32.7Very low35.4Very low145 Ų145120.2 Ų120.263%0.6366%0.656SS**Hα-helixtrans-63.2-26.1-172.1-69.6-170.3177-175.80114.9L623 F631L623-K627 WeakPolarHBondContact O-CE 3.46Å; K627-F631 WeakPolarHBondContact O-CB 3.48Å; K627-F631 PolarHBondContact O-N 2.76Å; K627-F631 VanDerWaalsContact O-N 3.07Å
628S40.9Very low35.1Very low106 Ų106121.5 Ų121.574%0.74165%0.652SS**Hα-helixtrans-65.3-54.6178-179.90000112.1T626 V630 F631 F632T626-S628 VanDerWaalsContact C-N 3.29Å; T626-S628 PolarHBondContact O-N 3.38Å; S628-V630 PolarHBondContact O-N 2.92Å; S628-F631 PolarHBondContact O-N 2.86Å; S628-F632 WeakPolarHBondContact O-CB 3.39Å; S628-F632 PolarHBondContact O-N 3.01Å
629A38.8Very low35.5Very low61 Ų61120 Ų12050%0.50464%0.639SS.*Hα-helixtrans-64.4-41.3-178.400000112.7T626 F632 L633T626-A629 PolarHBondContact O-N 3.16Å; A629-F632 PolarHBondContact O-N 2.9Å; A629-L633 WeakPolarHBondContact O-CB 3.42Å; A629-L633 WeakPolarHBondContact O-CG 3.37Å; A629-L633 PolarHBondContact O-N 3.42Å
630V38.7Very low35.9Very low92 Ų92116.2 Ų116.256%0.55862%0.618SS**Hα-helixtrans-69.3-35.6179.4-179.10000111.7T626 S628 S634T626-V630 PolarHBondContact O-N 3.03Å; S628-V630 PolarHBondContact O-N 2.92Å; V630-S634 WeakPolarHBondContact O-CB 3.36Å; V630-S634 PolarHBondContact O-N 3.42Å; V630-S634 PolarHBondContact O-OG 2.9Å; V630-S634 VanDerWaalsContact O-OG 3.13Å
631F36.2Very low36.4Very low142 Ų142115.1 Ų115.162%0.62360%0.603SS**Hα-helixtrans-71.7-33.1174.9-163-96.7000112.2K627 S628 S634 K635K627-F631 WeakPolarHBondContact O-CB 3.48Å; K627-F631 PolarHBondContact O-N 2.76Å; K627-F631 VanDerWaalsContact O-N 3.07Å; S628-F631 PolarHBondContact O-N 2.86Å; F631-S634 PolarHBondContact O-OG 3.46Å; F631-K635 WeakPolarHBondContact O-CB 3.24Å; F631-K635 PolarHBondContact O-N 2.78Å
632F37.2Very low37.1Very low144 Ų144111.9 Ų111.963%0.63258%0.584SS**Hα-helixtrans-68.2-46.7173.8-157.1-98.2000111.5S628 A629 K635 L636S628-F632 WeakPolarHBondContact O-CB 3.39Å; S628-F632 PolarHBondContact O-N 3.01Å; A629-F632 PolarHBondContact O-N 2.9Å; F632-K635 PolarHBondContact O-N 2.92Å; F632-L636 HydrophobicContact CD1-CD1 3.74Å; F632-L636 HydrophobicContact CD1-CG 4.49Å; F632-L636 HydrophobicContact CE1-CD1 3.77Å; F632-L636 WeakPolarHBondContact O-CG 3.46Å; F632-L636 PolarHBondContact O-N 3.4Å
633L37.8Very low37.7Very low112 Ų112114.9 Ų114.959%0.58659%0.586SS**Hα-helixtrans-71.1-36.2178.3-70.4171.7000113A629 K635 L636 K637A629-L633 WeakPolarHBondContact O-CB 3.42Å; A629-L633 WeakPolarHBondContact O-CG 3.37Å; A629-L633 PolarHBondContact O-N 3.42Å; L633-K635 VanDerWaalsContact C-N 3.35Å; L633-L636 PolarHBondContact O-N 2.82Å; L633-K637 VanDerWaalsContact O-CB 3.3Å; L633-K637 WeakPolarHBondContact O-CB 3.38Å; L633-K637 PolarHBondContact O-N 2.92Å
634S36Very low38.1Very low53 Ų53114.3 Ų114.337%0.37158%0.58SS.*Hα-helixtrans-66.9-38173.672.30000111.2V630 F631 K637 H638V630-S634 WeakPolarHBondContact O-CB 3.36Å; V630-S634 PolarHBondContact O-N 3.42Å; V630-S634 PolarHBondContact O-OG 2.9Å; V630-S634 VanDerWaalsContact O-OG 3.13Å; F631-S634 PolarHBondContact O-OG 3.46Å; S634-K637 PolarHBondContact O-N 3.03Å; S634-H638 WeakPolarHBondContact O-CB 3.44Å; S634-H638 PolarHBondContact O-N 3.19Å
635K37.4Very low38.3Very low127 Ų127117 Ų11755%0.55258%0.579SS**Hα-helixtrans-69.4-37.5175.7-163166.6-173.2176.20112.3F631 F632 L633 L639F631-K635 WeakPolarHBondContact O-CB 3.24Å; F631-K635 PolarHBondContact O-N 2.78Å; F632-K635 PolarHBondContact O-N 2.92Å; L633-K635 VanDerWaalsContact C-N 3.35Å; K635-L639 HydrophobicContact CG-CD1 4.3Å; K635-L639 WeakPolarHBondContact O-CB 3.29Å; K635-L639 VanDerWaalsContact O-CG 3.24Å; K635-L639 WeakPolarHBondContact O-CG 3.43Å; K635-L639 PolarHBondContact O-N 2.94Å
636L37.6Very low38.6Very low91 Ų91109.3 Ų109.348%0.47655%0.553SS.*Hα-helixtrans-65.3-43.8170.4-76.3168.9000112.3F632 L633 L639 S640F632-L636 HydrophobicContact CD1-CD1 3.74Å; F632-L636 HydrophobicContact CD1-CG 4.49Å; F632-L636 HydrophobicContact CE1-CD1 3.77Å; F632-L636 WeakPolarHBondContact O-CG 3.46Å; F632-L636 PolarHBondContact O-N 3.4Å; L633-L636 PolarHBondContact O-N 2.82Å; L636-L639 PolarHBondContact O-N 3.14Å; L636-S640 WeakPolarHBondContact O-CB 3.41Å; L636-S640 PolarHBondContact O-N 3Å
637K35.5Very low38.9Very low151 Ų151114.8 Ų114.866%0.65757%0.565SS**Hα-helixtrans-68.6-35.2178.1-158170.1-172.8176.30111.8L633 S634 L641L633-K637 VanDerWaalsContact O-CB 3.3Å; L633-K637 WeakPolarHBondContact O-CB 3.38Å; L633-K637 PolarHBondContact O-N 2.92Å; S634-K637 PolarHBondContact O-N 3.03Å; K637-L641 HydrophobicContact CG-CD1 4.26Å; K637-L641 VanDerWaalsContact O-CB 3.3Å; K637-L641 WeakPolarHBondContact O-CB 3.48Å; K637-L641 WeakPolarHBondContact O-CG 3.48Å; K637-L641 PolarHBondContact O-N 2.92Å
638H37.2Very low39.3Very low132 Ų132112.6 Ų112.661%0.61156%0.56SS**Hα-helixtrans-65.8-48.3168.9-102.9-97.3000111.9S634 S640 L641 Q642S634-H638 WeakPolarHBondContact O-CB 3.44Å; S634-H638 PolarHBondContact O-N 3.19Å; H638-S640 VanDerWaalsContact C-N 3.26Å; H638-S640 PolarHBondContact O-N 2.97Å; H638-L641 PolarHBondContact O-N 2.99Å; H638-Q642 WeakPolarHBondContact O-CA 3.21Å; H638-Q642 WeakPolarHBondContact O-CB 3.34Å; H638-Q642 PolarHBondContact O-N 3.13Å
639L38.2Very low39.4Very low96 Ų96109.3 Ų109.350%0.50354%0.539SS..Hα-helixtrans-62.1-34178.6-76.3165.8000112.4K635 L636 K643K635-L639 HydrophobicContact CG-CD1 4.3Å; K635-L639 WeakPolarHBondContact O-CB 3.29Å; K635-L639 VanDerWaalsContact O-CG 3.24Å; K635-L639 WeakPolarHBondContact O-CG 3.43Å; K635-L639 PolarHBondContact O-N 2.94Å; L636-L639 PolarHBondContact O-N 3.14Å; L639-K643 WeakPolarHBondContact O-CB 3.3Å; L639-K643 PolarHBondContact O-N 3.48Å
640S38.3Very low39.9Very low73 Ų73110.3 Ų110.351%0.5154%0.539SS..Hα-helixtrans-70.6-52.4173.3-173.60000112L636 H638 Q642 K643 Q644L636-S640 WeakPolarHBondContact O-CB 3.41Å; L636-S640 PolarHBondContact O-N 3Å; H638-S640 VanDerWaalsContact C-N 3.26Å; H638-S640 PolarHBondContact O-N 2.97Å; S640-Q642 PolarHBondContact O-N 3.05Å; S640-K643 PolarHBondContact O-N 2.81Å; S640-Q644 VanDerWaalsContact O-CB 3.28Å; S640-Q644 WeakPolarHBondContact O-CB 3.4Å; S640-Q644 PolarHBondContact O-N 2.63Å
641L38Very low40.1Very low90 Ų90111.8 Ų111.847%0.47154%0.543SS..Hα-helixtrans-65-27.2176.6-80.1166000113.2K637 H638 K645K637-L641 HydrophobicContact CG-CD1 4.26Å; K637-L641 VanDerWaalsContact O-CB 3.3Å; K637-L641 WeakPolarHBondContact O-CB 3.48Å; K637-L641 WeakPolarHBondContact O-CG 3.48Å; K637-L641 PolarHBondContact O-N 2.92Å; H638-L641 PolarHBondContact O-N 2.99Å; L641-K645 VanDerWaalsContact O-CB 3.24Å; L641-K645 WeakPolarHBondContact O-CB 3.49Å; L641-K645 WeakPolarHBondContact O-CG 3.03Å; L641-K645 PolarHBondContact O-N 2.97Å
642Q41.5Very low40.3Very low94 Ų94111.8 Ų111.844%0.43954%0.543SS..Hα-helixtrans-76.2-49.3175.1-179.1164.7-8.300110H638 S640 Q644 K645 E646H638-Q642 WeakPolarHBondContact O-CA 3.21Å; H638-Q642 WeakPolarHBondContact O-CB 3.34Å; H638-Q642 PolarHBondContact O-N 3.13Å; S640-Q642 PolarHBondContact O-N 3.05Å; Q642-Q644 PolarHBondContact O-N 2.99Å; Q642-K645 CarbonylContact O-C 3.57Å; Q642-K645 PolarHBondContact O-N 2.83Å; Q642-E646 VanDerWaalsContact CG-CD 3.46Å; Q642-E646 HydrophobicContact CG-CG 4.24Å; Q642-E646 WeakPolarHBondContact CG-OE1 3.43Å; Q642-E646 PolarHBondContact NE2-OE1 2.89Å; Q642-E646 WeakPolarHBondContact O-CB 3.45Å; Q642-E646 WeakPolarHBondContact O-CG 3.41Å; Q642-E646 PolarHBondContact O-N 2.92Å
643K41.9Very low40.5Very low154 Ų154112.8 Ų112.867%0.6754%0.543SS*.Hα-helixtrans-57.3-34169.5-88.4-172169.5-177.30112.8L639 S640 R647L639-K643 WeakPolarHBondContact O-CB 3.3Å; L639-K643 PolarHBondContact O-N 3.48Å; S640-K643 PolarHBondContact O-N 2.81Å; K643-R647 WeakPolarHBondContact O-CB 3.28Å; K643-R647 PolarHBondContact O-N 2.79Å
644Q41.3Very low40.8Very low109 Ų109109.7 Ų109.751%0.50954%0.537SS..Hα-helixtrans-77-40178.6-164.4172.28.700112.1S640 Q642 L648S640-Q644 VanDerWaalsContact O-CB 3.28Å; S640-Q644 WeakPolarHBondContact O-CB 3.4Å; S640-Q644 PolarHBondContact O-N 2.63Å; Q642-Q644 PolarHBondContact O-N 2.99Å; Q644-L648 HydrophobicContact CG-CD1 4.43Å; Q644-L648 WeakPolarHBondContact O-CB 3.18Å; Q644-L648 WeakPolarHBondContact O-CG 3.35Å; Q644-L648 PolarHBondContact O-N 3.21Å
645K42.8Very low40.9Very low157 Ų157111 Ų11168%0.68355%0.552SS**Hα-helixtrans-65.3-38169-85.2-171.9171.9-173.20112.1L641 Q642 L648 A649L641-K645 VanDerWaalsContact O-CB 3.24Å; L641-K645 WeakPolarHBondContact O-CB 3.49Å; L641-K645 WeakPolarHBondContact O-CG 3.03Å; L641-K645 PolarHBondContact O-N 2.97Å; Q642-K645 CarbonylContact O-C 3.57Å; Q642-K645 PolarHBondContact O-N 2.83Å; K645-L648 CarbonylContact O-C 3.58Å; K645-L648 PolarHBondContact O-N 3Å; K645-A649 WeakPolarHBondContact O-CB 3.44Å; K645-A649 PolarHBondContact O-N 2.91Å
646E43.7Very low40.6Very low88 Ų88111.6 Ų111.641%0.41156%0.556SS.*Hα-helixtrans-69.5-43.8177.7-74.8163.8176.300110.5Q642 L648 A649 T650Q642-E646 VanDerWaalsContact CG-CD 3.46Å; Q642-E646 HydrophobicContact CG-CG 4.24Å; Q642-E646 WeakPolarHBondContact CG-OE1 3.43Å; Q642-E646 PolarHBondContact NE2-OE1 2.89Å; Q642-E646 WeakPolarHBondContact O-CB 3.45Å; Q642-E646 WeakPolarHBondContact O-CG 3.41Å; Q642-E646 PolarHBondContact O-N 2.92Å; E646-L648 PolarHBondContact O-N 3.48Å; E646-A649 CarbonylContact O-C 3.59Å; E646-A649 PolarHBondContact O-N 3.41Å; E646-T650 PolarHBondContact O-N 3.28Å; E646-T650 PolarHBondContact O-OG1 3.29Å; E646-T650 VanDerWaalsContact O-OG1 3.11Å
647R44.9Very low40.6Very low193 Ų193111.4 Ų111.473%0.72857%0.568SS**Hα-helixtrans-58.5-45.1168.5-88.8-173.7163.8-173.2-5.2112.4K643 A649 T650 L651K643-R647 WeakPolarHBondContact O-CB 3.28Å; K643-R647 PolarHBondContact O-N 2.79Å; R647-A649 VanDerWaalsContact C-N 3.29Å; R647-A649 PolarHBondContact O-N 3.37Å; R647-T650 PolarHBondContact O-N 3.17Å; R647-T650 PolarHBondContact O-OG1 3.45Å; R647-L651 VanDerWaalsContact O-CB 3.31Å; R647-L651 WeakPolarHBondContact O-CB 3.49Å; R647-L651 WeakPolarHBondContact O-CD1 3.33Å; R647-L651 VanDerWaalsContact O-CG 3.25Å; R647-L651 WeakPolarHBondContact O-CG 3.21Å; R647-L651 PolarHBondContact O-N 3.38Å
648L42Very low40.9Very low99 Ų99112.6 Ų112.652%0.51858%0.576SS.*Hα-helixtrans-68-28.5176.4-75.8165.3000112.5Q644 K645 E646 K652Q644-L648 HydrophobicContact CG-CD1 4.43Å; Q644-L648 WeakPolarHBondContact O-CB 3.18Å; Q644-L648 WeakPolarHBondContact O-CG 3.35Å; Q644-L648 PolarHBondContact O-N 3.21Å; K645-L648 CarbonylContact O-C 3.58Å; K645-L648 PolarHBondContact O-N 3Å; E646-L648 PolarHBondContact O-N 3.48Å; L648-K652 VanDerWaalsContact O-CB 3.27Å; L648-K652 WeakPolarHBondContact O-CB 3.28Å; L648-K652 VanDerWaalsContact O-CG 3.3Å; L648-K652 WeakPolarHBondContact O-CG 3.11Å; L648-K652 PolarHBondContact O-N 3.25Å
649A42.9Very low40.8Very low37 Ų37114.8 Ų114.831%0.30658%0.583SS.*Hα-helixtrans-87.9-15.6177.600000113.8K645 E646 R647 R653K645-A649 WeakPolarHBondContact O-CB 3.44Å; K645-A649 PolarHBondContact O-N 2.91Å; E646-A649 CarbonylContact O-C 3.59Å; E646-A649 PolarHBondContact O-N 3.41Å; R647-A649 VanDerWaalsContact C-N 3.29Å; R647-A649 PolarHBondContact O-N 3.37Å; A649-R653 WeakPolarHBondContact O-CB 3.21Å; A649-R653 WeakPolarHBondContact O-CG 3.42Å; A649-R653 PolarHBondContact O-N 3Å; A649-R653 PolarHBondContact O-NE 3.05Å
650T49.3Very low40.4Very low82 Ų82117.5 Ų117.550%0.50360%0.597SS.*Hα-helixtrans-86.3-39.116551.90000110.9E646 R647 K652 R653 G654E646-T650 PolarHBondContact O-N 3.28Å; E646-T650 PolarHBondContact O-OG1 3.29Å; E646-T650 VanDerWaalsContact O-OG1 3.11Å; R647-T650 PolarHBondContact O-N 3.17Å; R647-T650 PolarHBondContact O-OG1 3.45Å; T650-K652 VanDerWaalsContact C-N 3.35Å; T650-K652 PolarHBondContact O-N 2.71Å; T650-R653 PolarHBondContact O-N 2.92Å; T650-R653 VanDerWaalsContact O-N 3.16Å; T650-G654 PolarHBondContact O-N 2.8Å
651L43.3Very low39.8Very low123 Ų123121.6 Ų121.664%0.64461%0.61SS**Hα-helixtrans-59.6-43.5169.1-73.6166.1000111.6R647 G654 A655R647-L651 VanDerWaalsContact O-CB 3.31Å; R647-L651 WeakPolarHBondContact O-CB 3.49Å; R647-L651 WeakPolarHBondContact O-CD1 3.33Å; R647-L651 VanDerWaalsContact O-CG 3.25Å; R647-L651 WeakPolarHBondContact O-CG 3.21Å; R647-L651 PolarHBondContact O-N 3.38Å; L651-G654 PolarHBondContact O-N 2.77Å; L651-A655 WeakPolarHBondContact O-CB 2.99Å; L651-A655 PolarHBondContact O-N 3.03Å
652K39.5Very low39.7Very low143 Ų143125.4 Ų125.462%0.62263%0.625SS**Hα-helixtrans-69.4-30.2172.5-77.7-170.7173.4-162.10114.2L648 T650 A655 Q656L648-K652 VanDerWaalsContact O-CB 3.27Å; L648-K652 WeakPolarHBondContact O-CB 3.28Å; L648-K652 VanDerWaalsContact O-CG 3.3Å; L648-K652 WeakPolarHBondContact O-CG 3.11Å; L648-K652 PolarHBondContact O-N 3.25Å; T650-K652 VanDerWaalsContact C-N 3.35Å; T650-K652 PolarHBondContact O-N 2.71Å; K652-A655 CarbonylContact O-C 3.5Å; K652-Q656 WeakPolarHBondContact O-CB 3.22Å; K652-Q656 VanDerWaalsContact O-CG 3.28Å; K652-Q656 WeakPolarHBondContact O-CG 3.31Å; K652-Q656 PolarHBondContact O-N 3.45Å; K652-Q656 VanDerWaalsContact O-N 3.12Å
653R41.7Very low39.1Very low165 Ų165127.5 Ų127.562%0.62364%0.639SS**Hα-helixtrans-73.6-33.3173.8-89.6177.6-79-175.6-5.5112.9A649 T650 Q656 A657A649-R653 WeakPolarHBondContact O-CB 3.21Å; A649-R653 WeakPolarHBondContact O-CG 3.42Å; A649-R653 PolarHBondContact O-N 3Å; A649-R653 PolarHBondContact O-NE 3.05Å; T650-R653 PolarHBondContact O-N 2.92Å; T650-R653 VanDerWaalsContact O-N 3.16Å; R653-Q656 PolarHBondContact O-N 3.13Å; R653-A657 PolarHBondContact O-N 2.64Å
654G43.1Very low38.4Very low46 Ų46129.8 Ų129.847%0.47465%0.653SS.*Hα-helixtrans-61.7-53.2167.400000110.9T650 L651 Q656 A657T650-G654 PolarHBondContact O-N 2.8Å; L651-G654 PolarHBondContact O-N 2.77Å; G654-Q656 PolarHBondContact O-N 2.83Å; G654-A657 PolarHBondContact O-N 2.92Å
655A38.3Very low37.8Very low82 Ų82132.8 Ų132.868%0.67866%0.664SS**THydrogen-bonded Turntrans-705178.800000115.6L651 K652L651-A655 WeakPolarHBondContact O-CB 2.99Å; L651-A655 PolarHBondContact O-N 3.03Å; K652-A655 CarbonylContact O-C 3.5Å
656Q32.8Very low37.6Very low139 Ų139131.1 Ų131.165%0.6567%0.669SS**THydrogen-bonded Turntrans-121.65.4171-69.9-172.7-86.200112.6K652 R653 G654K652-Q656 WeakPolarHBondContact O-CB 3.22Å; K652-Q656 VanDerWaalsContact O-CG 3.28Å; K652-Q656 WeakPolarHBondContact O-CG 3.31Å; K652-Q656 PolarHBondContact O-N 3.45Å; K652-Q656 VanDerWaalsContact O-N 3.12Å; R653-Q656 PolarHBondContact O-N 3.13Å; G654-Q656 PolarHBondContact O-N 2.83Å
657A37.1Very low36.7Very low86 Ų86131.6 Ų131.671%0.71168%0.678SS**SBendtrans-86.2-14.317300000113.1R653 G654R653-A657 PolarHBondContact O-N 2.64Å; G654-A657 PolarHBondContact O-N 2.92Å
658E40.9Very low35.8Very low176 Ų176127.3 Ų127.382%0.82268%0.678SS**SBendtrans-107.811.3-176.6-63.5-173.9144.300114.1
659K35.1Very low34.9Very low178 Ų178128.5 Ų128.577%0.77469%0.689SS**SBendtrans-160.9130.4174.1-113.5147.1-172162.90112.1
660I29.8Very low34.1Very low154 Ų154134.2 Ų134.279%0.7971%0.714SS**SBendtrans74.7113.7-178.1-54173.9000111.3
661M26.9Very low34.1Very low159 Ų159136.5 Ų136.578%0.78373%0.729SS**  cis-154.5148.77-131167.173.800112.6
662E34Very low33.4Very low169 Ų169134.7 Ų134.779%0.7973%0.733SS**  trans-80.6176.3151.7-75.1178.6114.500110.7
663D29.2Very low33Very low138 Ų138133.5 Ų133.574%0.73874%0.742SS**  trans67.5112.1162.9-72.7-13.1000120.8
664E27.6Very low33.6Very low203 Ų203130.7 Ų130.795%0.94975%0.745SS**  -137.9165.5113.2-83.1-138.6117.500110.6
665K29.9Very low33Very low172 Ų172136.7 Ų136.775%0.74876%0.761SS**  trans-104.9166.8-156.1-123.5172.2171.4171.60113.9T667K665-T667 VanDerWaalsContact CD-OG1 3.23Å; K665-T667 WeakPolarHBondContact CD-OG1 3.36Å; K665-T667 VanDerWaalsContact CE-OG1 3.26Å; K665-T667 WeakPolarHBondContact CE-OG1 3.24Å
666P37.7Very low32.7Very low121 Ų121138.8 Ų138.879%0.78677%0.765SS**  -134.8138.258.919.74.6000115.6
667T25.3Very low32.3Very low99 Ų99140.5 Ų140.561%0.60777%0.773SS**  69.2123.673.5-56.30000114K665K665-T667 VanDerWaalsContact CD-OG1 3.23Å; K665-T667 WeakPolarHBondContact CD-OG1 3.36Å; K665-T667 VanDerWaalsContact CE-OG1 3.26Å; K665-T667 WeakPolarHBondContact CE-OG1 3.24Å
668S25.1Very low32.9Very low103 Ų103142.2 Ų142.272%0.7278%0.777SS**  cis-132.1-126.9048.10000113.2
669V23.5Very low32.2Very low124 Ų124138.4 Ų138.475%0.75278%0.775SS**  cis-133.4-119.719.4-160.30000113.2
670L27.1Very low33.2Very low157 Ų157135.7 Ų135.782%0.82278%0.776SS**  trans-158.6163.3-166.5-68.6176.9000110.9
671P48.3Very low34.1Very low129 Ų129133.8 Ų133.884%0.83877%0.773SS**  cis-116.9-141.25.334.7-13.1000111.7
672A29.3Very low34.1Very low86 Ų86131.1 Ų131.171%0.71178%0.777SS**  cis-157.6-177.45.100000112.4
673S30.4Very low33.8Very low117 Ų117128.2 Ų128.282%0.81878%0.781SS**  trans-159.2-168.1-171.5-48.80000111.5
674P55.2Low33.9Very low107 Ų107126.9 Ų126.970%0.69579%0.79SS**  cis-134.5-152.7-3.642.2-19.4000112.5
675E29.6Very low33.8Very low172 Ų172122.4 Ų122.480%0.80479%0.787SS**  cis-166.3-172.6-2.5-142.4164.7-8000112.7
676V32.3Very low33.6Very low125 Ų125119.1 Ų119.176%0.75879%0.792SS**  trans85.5145.9159.9-151.40000120.9
677H24.2Very low33.4Very low175 Ų175119 Ų11981%0.8179%0.794SS**  trans-120.4-153.3-176.6-44.2-97.7000111.1
678P50Low33.7Very low123 Ų123120 Ų12080%0.79980%0.803SS**  cis-140.2179.8-20.139.7-20.2000117.8
679A26.7Very low34.3Very low96 Ų96120.8 Ų120.879%0.79381%0.805SS**  trans99.5152.2141.500000123.9
680P55.4Low35.6Very low121 Ų121119.9 Ų119.979%0.78680%0.802SS**  trans-127.1-146.5-168.742.4-20.1000112.2
681P48.6Very low35.6Very low113 Ų113121 Ų12173%0.73480%0.803SS**  cis-142.8172.7-1043.1-24000119.3
682A27.5Very low35.1Very low103 Ų103120.3 Ų120.385%0.85180%0.799SS**  trans47.8142.6140.200000126
683A27.8Very low35.4Very low108 Ų108123.9 Ų123.989%0.89380%0.8SS**  trans-160.8158.514800000112.3
684A31.3Very low35.6Very low110 Ų110124.2 Ų124.291%0.90980%0.8SS**  trans-153.5166.8178.500000112.4
685A25Very low34.3Very low109 Ų109122.5 Ų122.590%0.90180%0.795SS**  trans-145.3158.5174.100000112.2
686A25.6Very low34.6Very low103 Ų103123.1 Ų123.185%0.85180%0.798SS**  trans-128.5168.5-170.700000113.8
687S33.6Very low34.5Very low118 Ų118124.2 Ų124.283%0.82581%0.805SS**  trans-87.7155.7-170.852.80000116.1
688P31.4Very low34.8Very low121 Ų121123.1 Ų123.179%0.78680%0.804SS**  trans-132.6166.3144.734.3-19000114.9
689P37.3Very low34.5Very low119 Ų119125 Ų12577%0.77381%0.807SS**  trans-116.7-163.2-177.445.8-35.8000112.7
690P50.2Low34.7Very low106 Ų106126.4 Ų126.469%0.68881%0.805SS**  cis-129.6-175.7-28.231.2-10.5000114.9
691E27.7Very low34Very low180 Ų180127.3 Ų127.384%0.84181%0.809SS**  trans68.3157.2151.9-87.4175.5-156.300121.3
692P38.9Very low33.8Very low115 Ų115128.4 Ų128.475%0.74781%0.809SS**  cis-130.3-178.8-11.438.9-20.9000116.3
693E34.7Very low35.1Very low160 Ų160129.2 Ų129.275%0.74880%0.798SS**  trans-45.4156172.6-78.6-75.3141.800117.8A695E693-A695 PolarHBondContact OE2-N 3.02Å
694P34.9Very low36.9Very low125 Ų125127.9 Ų127.981%0.81277%0.774SS**  -143.3112.194.836.7-20.3000117.8
695A27Very low39.3Very low70 Ų70128.1 Ų128.158%0.57976%0.756SS**  63.4107.8118.500000121.2E693E693-A695 PolarHBondContact OE2-N 3.02Å
696E37.4Very low42.2Very low186 Ų186123 Ų12387%0.86971%0.714SS**  trans36.8120.7138-59-168.6135.500121.5
697T28.5Very low45Very low148 Ų148123.2 Ų123.291%0.90869%0.693SS**  trans-142.6152.3133.7-49.10000109.8
698L31.8Very low47.3Very low152 Ų152121.5 Ų121.580%0.79667%0.671SS**  trans-81.1145.2-159.9-69.9159.5000116
699L44.1Very low49.8Very low162 Ų162117.9 Ų117.985%0.84865%0.648SS**  trans2.1118.4151.4-63167000118
700T29.1Very low51.7Low125 Ų125114.4 Ų114.477%0.76764%0.635SS**  trans-118135155.551.40000110.7
701T42.7Very low53.1Low140 Ų140116.1 Ų116.186%0.85963%0.631SS**  trans-110.3106.2178.652.50000110
702D42.9Very low55.5Low137 Ų137111.6 Ų111.673%0.73361%0.611SS**  trans-105.2151.2-179.8-86.7-52.1000114.1
703N55.1Low57.3Low119 Ų119106.3 Ų106.364%0.63658%0.577SS**  trans62.955.8171.3-65.7-32.6000118.3F725N703-F725 HydrophobicContact CB-CD2 4.36Å; N703-F725 HydrophobicContact CB-CE2 4.12Å; N703-F725 WeakPolarHBondContact O-CD2 3.35Å; N703-F725 WeakPolarHBondContact O-CE2 3Å
704E66.5Low59.3Low81 Ų81100.8 Ų100.838%0.37955%0.549SS..  trans-104.614.8155.1-75.1-156.7135.600113.6M712 V713 R1130E704-M712 HydrophobicContact CB-CE 3.47Å; E704-M712 VanDerWaalsContact CB-CE 3.47Å; E704-M712 HydrophobicContact CB-SD 4.29Å; E704-M712 HydrophobicContact CG-CE 4.35Å; E704-M712 CarbonylContact O-C 3.58Å; E704-M712 WeakPolarHBondContact O-CA 3.5Å; E704-M712 WeakPolarHBondContact OE2-CE 3.46Å; E704-V713 PolarHBondContact O-N 3.35Å; E704-R1130 IonicContact OE1-CZ 2.61Å; E704-R1130 IonicContact OE1-NH1 2.74Å; E704-R1130 PolarHBondContact OE1-NH1 3.2Å; E704-R1130 IonicContact OE1-NH2 2.7Å; E704-R1130 PolarHBondContact OE1-NH2 3.07Å; E704-R1130 IonicContact OE2-CZ 3.55Å; E704-R1130 IonicContact OE2-NH1 3.88Å; E704-R1130 PolarHBondContact OE2-NH1 2.85Å; E704-R1130 IonicContact OE2-NH2 3.91Å; E704-R1130 PolarHBondContact OE2-NH2 2.93Å
705Q81.6Confident60.9Low114 Ų11496.6 Ų96.653%0.53353%0.525SS..BIsolated β-bridgetrans-108.2153.1-172.8-64.7179.917.800114.3G710 M712Q705-G710 PolarHBondContact OE1-O 3.24Å; Q705-M712 HydrophobicContact CG-SD 3.84Å
706C85.1Confident62.9Low3 Ų393.2 Ų93.22%0.0250%0.497CS..  trans-80.1125.2175.9174.70000111.6F708 C709 G710 K711 V713 F725 H727C706-F708 VanDerWaalsContact C-N 3.31Å; C706-F708 PolarHBondContact O-N 2.95Å; C706-F708 PolarHBondContact SG-N 2.76Å; C706-C709 PolarHBondContact O-N 3.13Å; C706-G710 WeakPolarHBondContact O-CA 3.41Å; C706-G710 PolarHBondContact O-N 2.69Å; C706-K711 WeakPolarHBondContact CB-O 3.38Å; C706-K711 PolarHBondContact N-O 3.04Å; C706-V713 HydrophobicContact CB-CG2 3.46Å; C706-V713 VanDerWaalsContact CB-CG2 3.46Å; C706-F725 WeakPolarHBondContact CA-O 3.23Å; C706-H727 VanDerWaalsContact CB-ND1 3.34Å; C706-H727 WeakPolarHBondContact CB-ND1 3.09Å
707Y83.8Confident64.4Low106 Ų10686 Ų8642%0.41646%0.463SS..THydrogen-bonded Turntrans-55.7-38.9178.3179.8-122.7000114.3F725 F726 G752 F754Y707-F725 PolarHBondContact N-O 2.74Å; Y707-F726 AromaticContact CD1-CE1 3.95Å; Y707-F726 HydrophobicContact CD1-CE1 3.95Å; Y707-F726 HydrophobicContact CG-CE1 4.24Å; Y707-G752 PolarHBondContact OH-O 3.12Å; Y707-F754 HydrophobicContact CD1-CE2 4.3Å; Y707-F754 HydrophobicContact CE1-CE2 4.32Å
708F83.2Confident66.8Low82 Ų8284.1 Ų84.136%0.3644%0.44SS..THydrogen-bonded Turntrans-80.1-27.9-177.1-70.6-86.3000114.7C706 F726 C730 F731 F754C706-F708 VanDerWaalsContact C-N 3.31Å; C706-F708 PolarHBondContact O-N 2.95Å; C706-F708 PolarHBondContact SG-N 2.76Å; F708-F726 AromaticContact CD2-CD1 3.53Å; F708-F726 HydrophobicContact CD2-CD1 3.53Å; F708-F726 HydrophobicContact CD2-CE1 4.14Å; F708-F726 HydrophobicContact CD2-CG 4.39Å; F708-F726 AromaticContact CE2-CD1 3.47Å; F708-F726 HydrophobicContact CE2-CD1 3.47Å; F708-F726 VanDerWaalsContact CE2-CD1 3.47Å; F708-F726 AromaticContact CE2-CE1 3.74Å; F708-F726 HydrophobicContact CE2-CE1 3.74Å; F708-F726 HydrophobicContact CE2-CG 4.31Å; F708-C730 HydrophobicContact CB-CB 4.04Å; F708-C730 HydrophobicContact CD2-CB 4.5Å; F708-C730 WeakPolarHBondContact CD2-O 3.22Å; F708-C730 WeakPolarHBondContact CE2-O 3.49Å; F708-C730 VanDerWaalsContact CG-O 3.24Å; F708-C730 WeakPolarHBondContact CG-O 3.27Å; F708-F731 HydrophobicContact CE2-CD2 4.09Å; F708-F754 HydrophobicContact CE2-CD2 4.25Å; F708-F754 HydrophobicContact CZ-CB 4.42Å; F708-F754 AromaticContact CZ-CD2 3.69Å; F708-F754 HydrophobicContact CZ-CD2 3.69Å; F708-F754 HydrophobicContact CZ-CE2 4.4Å; F708-F754 HydrophobicContact CZ-CG 4.33Å
709C83.4Confident68.8Low45 Ų4577.2 Ų77.230%0.30440%0.404SS..THydrogen-bonded Turntrans-130.5-0.7-170.379.80000115.9C706 K711C706-C709 PolarHBondContact O-N 3.13Å; C709-K711 PolarHBondContact O-N 3.28Å
710G76.4Confident70.5Confident47 Ų4772.5 Ų72.549%0.48538%0.384SS..  trans66.50.3177.700000115.7Q705 C706Q705-G710 PolarHBondContact OE1-O 3.24Å; C706-G710 WeakPolarHBondContact O-CA 3.41Å; C706-G710 PolarHBondContact O-N 2.69Å
711K81.3Confident72.8Confident142 Ų14267 Ų6762%0.61735%0.351SS*.  trans-87.5150.8-178.6-64.4167.1-170.4169.70110.8C706 C709C706-K711 WeakPolarHBondContact CB-O 3.38Å; C706-K711 PolarHBondContact N-O 3.04Å; C709-K711 PolarHBondContact O-N 3.28Å
712M77.8Confident74.6Confident85 Ų8564.1 Ų64.142%0.41933%0.328SS..BIsolated β-bridgetrans-54.8139.1173.3-60.7-64-72.100111.5E704 Q705 H727E704-M712 HydrophobicContact CB-CE 3.47Å; E704-M712 VanDerWaalsContact CB-CE 3.47Å; E704-M712 HydrophobicContact CB-SD 4.29Å; E704-M712 HydrophobicContact CG-CE 4.35Å; E704-M712 CarbonylContact O-C 3.58Å; E704-M712 WeakPolarHBondContact O-CA 3.5Å; E704-M712 WeakPolarHBondContact OE2-CE 3.46Å; Q705-M712 HydrophobicContact CG-SD 3.84Å; M712-H727 PolarHBondContact O-CE1 3.15Å; M712-H727 VanDerWaalsContact O-CE1 3.28Å; M712-H727 PolarHBondContact O-NE2 2.88Å
713V75.1Confident76.2Confident4 Ų461.2 Ų61.22%0.02433%0.331CS..  trans-115.3111.4178.6-176.60000108.1E704 C706 E717 R718E704-V713 PolarHBondContact O-N 3.35Å; C706-V713 HydrophobicContact CB-CG2 3.46Å; C706-V713 VanDerWaalsContact CB-CG2 3.46Å; V713-E717 HydrophobicContact CG1-CB 4.01Å; V713-R718 VanDerWaalsContact CG1-CA 3.42Å; V713-R718 HydrophobicContact CG1-CB 3.75Å; V713-R718 HydrophobicContact CG1-CG 3.9Å
714Y76.8Confident77.5Confident43 Ų4360.4 Ų60.417%0.16932%0.319CS..  trans-69154.9175.7-60.7-74.8000110.3V716 E717 R718 V1123 E1126 R1127Y714-V716 PolarHBondContact O-N 2.91Å; Y714-V716 VanDerWaalsContact O-N 3.09Å; Y714-E717 VanDerWaalsContact CD2-OE2 3.3Å; Y714-E717 WeakPolarHBondContact CD2-OE2 3.34Å; Y714-E717 PolarHBondContact N-OE2 3.27Å; Y714-E717 CarbonylContact O-C 3.55Å; Y714-E717 WeakPolarHBondContact O-CA 3.36Å; Y714-E717 WeakPolarHBondContact O-CB 3.38Å; Y714-E717 PolarHBondContact O-N 3.35Å; Y714-R718 PolarHBondContact O-N 3.27Å; Y714-V1123 HydrophobicContact CD2-CB 4.44Å; Y714-V1123 HydrophobicContact CD2-CG1 3.98Å; Y714-V1123 HydrophobicContact CD2-CG2 3.95Å; Y714-V1123 HydrophobicContact CE2-CG1 4.06Å; Y714-E1126 HydrophobicContact CD1-CB 4.43Å; Y714-E1126 HydrophobicContact CD1-CG 4.2Å; Y714-E1126 WeakPolarHBondContact CD1-OE1 3.5Å; Y714-R1127 HydrophobicContact CE1-CG 4Å; Y714-R1127 HydrophobicContact CE2-CG 4.31Å; Y714-R1127 PolarHBondContact OH-NE 2.97Å
715A69.5Low78.3Confident37 Ų3758.4 Ų58.431%0.30631%0.309SS..THydrogen-bonded Turntrans-58.6-33.3-173.100000112.8R718 E1126 W1145 K1152A715-R718 PolarHBondContact O-N 3.22Å; A715-E1126 PolarHBondContact N-OE1 3.42Å; A715-E1126 PolarHBondContact N-OE2 3.26Å; A715-W1145 HydrophobicContact CB-CH2 4.44Å; A715-W1145 HydrophobicContact CB-CZ2 3.6Å; A715-K1152 PolarHBondContact O-NZ 3.06Å
716V68.3Low78.5Confident0 Ų053 Ų530%028%0.283CS..THydrogen-bonded Turntrans-75.5-24.8176.4-163.70000112.6Y714 V1149 K1152Y714-V716 PolarHBondContact O-N 2.91Å; Y714-V716 VanDerWaalsContact O-N 3.09Å; V716-V1149 HydrophobicContact CG2-CG2 4.06Å; V716-K1152 VanDerWaalsContact C-NZ 3.26Å; V716-K1152 HydrophobicContact CG1-CD 4.18Å; V716-K1152 VanDerWaalsContact O-CD 3.29Å; V716-K1152 WeakPolarHBondContact O-CD 3.46Å; V716-K1152 WeakPolarHBondContact O-CE 3.46Å; V716-K1152 PolarHBondContact O-NZ 2.8Å
717E70Confident78.4Confident33 Ų3353.9 Ų53.915%0.15429%0.287CS..THydrogen-bonded Turntrans-81.9-20168.6-61.5177.2143.800113V713 Y714 I719 H727 V1123V713-E717 HydrophobicContact CG1-CB 4.01Å; Y714-E717 VanDerWaalsContact CD2-OE2 3.3Å; Y714-E717 WeakPolarHBondContact CD2-OE2 3.34Å; Y714-E717 PolarHBondContact N-OE2 3.27Å; Y714-E717 CarbonylContact O-C 3.55Å; Y714-E717 WeakPolarHBondContact O-CA 3.36Å; Y714-E717 WeakPolarHBondContact O-CB 3.38Å; Y714-E717 PolarHBondContact O-N 3.35Å; E717-I719 PolarHBondContact O-N 2.69Å; E717-H727 IonicContact OE1-CD2 2.73Å; E717-H727 IonicContact OE2-CD2 2.75Å; E717-H727 PolarHBondContact OE2-CD2 3.18Å; E717-H727 VanDerWaalsContact OE2-CD2 3.23Å; E717-H727 IonicContact OE2-NE2 2.75Å; E717-H727 PolarHBondContact OE2-NE2 3.44Å; E717-V1123 HydrophobicContact CG-CG2 3.37Å; E717-V1123 VanDerWaalsContact OE1-CG2 3.23Å; E717-V1123 WeakPolarHBondContact OE1-CG2 3.41Å
718R77.5Confident78.1Confident110 Ų11049.8 Ų49.842%0.41527%0.271SS..EExtended strand (participates in β ladder)trans-67117.9-167-157177.289.3167.56.1113.6V713 Y714 A715 F725 K1152V713-R718 VanDerWaalsContact CG1-CA 3.42Å; V713-R718 HydrophobicContact CG1-CB 3.75Å; V713-R718 HydrophobicContact CG1-CG 3.9Å; Y714-R718 PolarHBondContact O-N 3.27Å; A715-R718 PolarHBondContact O-N 3.22Å; R718-F725 HydrophobicContact CG-CB 4.02Å; R718-F725 HydrophobicContact CG-CD1 3.86Å; R718-F725 HydrophobicContact CG-CG 3.99Å; R718-F725 VanDerWaalsContact CZ-CZ 3.45Å; R718-K1152 PolarHBondContact O-NZ 2.73Å
719I75.4Confident77.8Confident7 Ų750.2 Ų50.24%0.03628%0.284CS..EExtended strand (participates in β ladder)trans-99.7145.8156.6-65.2-165.4000108.4E717 F725 F726 R728 L742E717-I719 PolarHBondContact O-N 2.69Å; I719-F725 WeakPolarHBondContact O-CA 3.3Å; I719-F726 HydrophobicContact CB-CD2 4.48Å; I719-F726 HydrophobicContact CG2-CD2 4.2Å; I719-F726 PolarHBondContact N-O 3.12Å; I719-F726 PolarHBondContact O-N 3.07Å; I719-R728 HydrophobicContact CD1-CB 3.64Å; I719-R728 HydrophobicContact CD1-CG 3.62Å; I719-R728 HydrophobicContact CG1-CB 4.25Å; I719-L742 HydrophobicContact CG2-CD1 4.25Å; I719-L742 HydrophobicContact CG2-CD2 3.81Å; I719-L742 HydrophobicContact CG2-CG 4.1Å
720S79.3Confident77.7Confident62 Ų6249.5 Ų49.543%0.43428%0.279SS..EExtended strand (participates in β ladder)trans-129.7128.1175.855.40000111.6R724S720-R724 VanDerWaalsContact CA-O 3.3Å; S720-R724 WeakPolarHBondContact CA-O 3.19Å
721A76.1Confident78.2Confident9 Ų947.3 Ų47.37%0.07426%0.257CS..EExtended strand (participates in β ladder)trans-152146.5175.200000108.5G723 R724 F726 F731 L742 Y745A721-G723 PolarHBondContact O-N 2.88Å; A721-G723 VanDerWaalsContact O-N 3.11Å; A721-R724 PolarHBondContact N-O 3.08Å; A721-R724 PolarHBondContact O-N 2.86Å; A721-F726 HydrophobicContact CB-CE2 3.83Å; A721-F726 HydrophobicContact CB-CZ 4.49Å; A721-F731 HydrophobicContact CB-CE2 4.33Å; A721-F731 HydrophobicContact CB-CZ 4.21Å; A721-L742 HydrophobicContact CB-CD2 4.18Å; A721-Y745 HydrophobicContact CB-CE1 4.17Å; A721-Y745 WeakPolarHBondContact CB-OH 3.26Å
722E82.3Confident78.3Confident81 Ų8142.3 Ų42.338%0.37924%0.238SC..THydrogen-bonded Turntrans50.536.1-179.4-45.9-50.1127.900114.3R724 Y745 F747 F754E722-R724 PolarHBondContact O-N 3.32Å; E722-Y745 HydrophobicContact CG-CE2 4.22Å; E722-Y745 WeakPolarHBondContact OE1-CE2 3.33Å; E722-Y745 PolarHBondContact OE1-OH 3.37Å; E722-F747 HydrophobicContact CB-CD1 4.13Å; E722-F747 HydrophobicContact CB-CE1 4.14Å; E722-F747 HydrophobicContact CB-CG 4.4Å; E722-F747 HydrophobicContact CB-CZ 4.41Å; E722-F747 HydrophobicContact CG-CB 3.84Å; E722-F747 HydrophobicContact CG-CD1 3.66Å; E722-F747 HydrophobicContact CG-CD2 4.12Å; E722-F747 HydrophobicContact CG-CE1 4.18Å; E722-F747 HydrophobicContact CG-CG 3.62Å; E722-F754 HydrophobicContact CB-CE1 4.43Å; E722-F754 HydrophobicContact CB-CZ 4.18Å; E722-F754 HydrophobicContact CG-CE1 3.69Å; E722-F754 HydrophobicContact CG-CZ 3.92Å
723G75.8Confident78.8Confident76 Ų7638.3 Ų38.378%0.78422%0.218SC*.THydrogen-bonded Turntrans70.62.8-17700000115.9A721A721-G723 PolarHBondContact O-N 2.88Å; A721-G723 VanDerWaalsContact O-N 3.11Å
724R81.3Confident79.2Confident102 Ų10243 Ų4339%0.38524%0.24SC..EExtended strand (participates in β ladder)trans-111.1162.2-175.4-61.9175-163.2-130-2111.7S720 A721 E722 F726S720-R724 VanDerWaalsContact CA-O 3.3Å; S720-R724 WeakPolarHBondContact CA-O 3.19Å; A721-R724 PolarHBondContact N-O 3.08Å; A721-R724 PolarHBondContact O-N 2.86Å; E722-R724 PolarHBondContact O-N 3.32Å; R724-F726 HydrophobicContact CB-CE1 3.98Å; R724-F726 HydrophobicContact CB-CE2 4.43Å; R724-F726 HydrophobicContact CB-CZ 3.67Å; R724-F726 WeakPolarHBondContact O-CE2 3.48Å
725F84.2Confident79.4Confident39 Ų3944.3 Ų44.317%0.17126%0.255CS..EExtended strand (participates in β ladder)trans-114.8147.2-179-56.2-44.9000113.3N703 C706 Y707 R718 I719N703-F725 HydrophobicContact CB-CD2 4.36Å; N703-F725 HydrophobicContact CB-CE2 4.12Å; N703-F725 WeakPolarHBondContact O-CD2 3.35Å; N703-F725 WeakPolarHBondContact O-CE2 3Å; C706-F725 WeakPolarHBondContact CA-O 3.23Å; Y707-F725 PolarHBondContact N-O 2.74Å; R718-F725 HydrophobicContact CG-CB 4.02Å; R718-F725 HydrophobicContact CG-CD1 3.86Å; R718-F725 HydrophobicContact CG-CG 3.99Å; R718-F725 VanDerWaalsContact CZ-CZ 3.45Å; I719-F725 WeakPolarHBondContact O-CA 3.3Å
726F85.8Confident79.9Confident0 Ų045.7 Ų45.70%026%0.262CS..EExtended strand (participates in β ladder)trans-146.2149.8-176.3-32.1-84.3000111.7Y707 F708 I719 A721 R724 F731 F754Y707-F726 AromaticContact CD1-CE1 3.95Å; Y707-F726 HydrophobicContact CD1-CE1 3.95Å; Y707-F726 HydrophobicContact CG-CE1 4.24Å; F708-F726 AromaticContact CD2-CD1 3.53Å; F708-F726 HydrophobicContact CD2-CD1 3.53Å; F708-F726 HydrophobicContact CD2-CE1 4.14Å; F708-F726 HydrophobicContact CD2-CG 4.39Å; F708-F726 AromaticContact CE2-CD1 3.47Å; F708-F726 HydrophobicContact CE2-CD1 3.47Å; F708-F726 VanDerWaalsContact CE2-CD1 3.47Å; F708-F726 AromaticContact CE2-CE1 3.74Å; F708-F726 HydrophobicContact CE2-CE1 3.74Å; F708-F726 HydrophobicContact CE2-CG 4.31Å; I719-F726 HydrophobicContact CB-CD2 4.48Å; I719-F726 HydrophobicContact CG2-CD2 4.2Å; I719-F726 PolarHBondContact N-O 3.12Å; I719-F726 PolarHBondContact O-N 3.07Å; A721-F726 HydrophobicContact CB-CE2 3.83Å; A721-F726 HydrophobicContact CB-CZ 4.49Å; R724-F726 HydrophobicContact CB-CE1 3.98Å; R724-F726 HydrophobicContact CB-CE2 4.43Å; R724-F726 HydrophobicContact CB-CZ 3.67Å; R724-F726 WeakPolarHBondContact O-CE2 3.48Å; F726-F731 HydrophobicContact CB-CB 4.23Å; F726-F731 HydrophobicContact CD1-CD2 4.33Å; F726-F731 AromaticContact CD2-CD2 3.82Å; F726-F731 HydrophobicContact CD2-CD2 3.82Å; F726-F731 HydrophobicContact CD2-CE2 4.26Å; F726-F731 HydrophobicContact CD2-CG 4.45Å; F726-F731 HydrophobicContact CE1-CD2 4.47Å; F726-F731 HydrophobicContact CE2-CD2 4.01Å; F726-F731 HydrophobicContact CE2-CE2 4.01Å; F726-F731 AromaticContact CG-CD2 3.99Å; F726-F731 HydrophobicContact CG-CD2 3.99Å; F726-F731 HydrophobicContact CZ-CD2 4.32Å; F726-F731 HydrophobicContact CZ-CE2 4.26Å; F726-F754 AromaticContact CE1-CE2 4Å; F726-F754 HydrophobicContact CE1-CE2 4Å; F726-F754 HydrophobicContact CE1-CZ 4.19Å; F726-F754 HydrophobicContact CZ-CE1 4.42Å; F726-F754 AromaticContact CZ-CE2 3.95Å; F726-F754 HydrophobicContact CZ-CE2 3.95Å; F726-F754 AromaticContact CZ-CZ 3.66Å; F726-F754 HydrophobicContact CZ-CZ 3.66Å
727H82.6Confident80.3Confident21 Ų2147.9 Ų47.910%0.09728%0.284CS..EExtended strand (participates in β ladder)trans-69.3142.3154.2-57.999.5000109.1C706 M712 E717 S729 C730 F731C706-H727 VanDerWaalsContact CB-ND1 3.34Å; C706-H727 WeakPolarHBondContact CB-ND1 3.09Å; M712-H727 PolarHBondContact O-CE1 3.15Å; M712-H727 VanDerWaalsContact O-CE1 3.28Å; M712-H727 PolarHBondContact O-NE2 2.88Å; E717-H727 IonicContact OE1-CD2 2.73Å; E717-H727 IonicContact OE2-CD2 2.75Å; E717-H727 PolarHBondContact OE2-CD2 3.18Å; E717-H727 VanDerWaalsContact OE2-CD2 3.23Å; E717-H727 IonicContact OE2-NE2 2.75Å; E717-H727 PolarHBondContact OE2-NE2 3.44Å; H727-S729 VanDerWaalsContact C-N 3.26Å; H727-S729 PolarHBondContact O-N 3.07Å; H727-C730 HydrophobicContact CB-CB 4.23Å; H727-C730 PolarHBondContact O-N 3.46Å; H727-F731 PolarHBondContact O-N 2.77Å
728R77.5Confident80.7Confident20 Ų2051 Ų518%0.07530%0.301CS..G310 helixtrans-56.7-39.3-179.9-176.6166.7-179.21225.6113.3I719 C730 F731 T739 Y1115 E1159I719-R728 HydrophobicContact CD1-CB 3.64Å; I719-R728 HydrophobicContact CD1-CG 3.62Å; I719-R728 HydrophobicContact CG1-CB 4.25Å; R728-C730 PolarHBondContact O-N 2.63Å; R728-F731 PolarHBondContact O-N 3.09Å; R728-T739 VanDerWaalsContact O-CG2 3.27Å; R728-T739 WeakPolarHBondContact O-CG2 3.46Å; R728-Y1115 HydrophobicContact CB-CE1 4.14Å; R728-Y1115 VanDerWaalsContact CD-CD1 3.48Å; R728-Y1115 HydrophobicContact CG-CE1 4.33Å; R728-E1159 IonicContact CZ-OE1 2.71Å; R728-E1159 IonicContact CZ-OE2 2.64Å; R728-E1159 IonicContact NH1-OE1 2.69Å; R728-E1159 IonicContact NH1-OE2 2.67Å; R728-E1159 PolarHBondContact NH1-OE2 3.05Å; R728-E1159 VanDerWaalsContact NH2-CD 3.3Å; R728-E1159 IonicContact NH2-OE1 2.67Å; R728-E1159 PolarHBondContact NH2-OE1 3.28Å; R728-E1159 IonicContact NH2-OE2 3.36Å; R728-E1159 PolarHBondContact NH2-OE2 3.24Å; R728-E1159 VanDerWaalsContact NH2-OE2 3.07Å
729S76.9Confident80.8Confident91 Ų9149.1 Ų49.164%0.63630%0.302SS*.G310 helixtrans-69-16.417754.10000114.8H727H727-S729 VanDerWaalsContact C-N 3.26Å; H727-S729 PolarHBondContact O-N 3.07Å
730C82.3Confident81Confident31 Ų3149 Ų4921%0.20930%0.301CS..G310 helixtrans-100.7-11.9179-63.70000113.4F708 H727 R728 T732F708-C730 HydrophobicContact CB-CB 4.04Å; F708-C730 HydrophobicContact CD2-CB 4.5Å; F708-C730 WeakPolarHBondContact CD2-O 3.22Å; F708-C730 WeakPolarHBondContact CE2-O 3.49Å; F708-C730 VanDerWaalsContact CG-O 3.24Å; F708-C730 WeakPolarHBondContact CG-O 3.27Å; H727-C730 HydrophobicContact CB-CB 4.23Å; H727-C730 PolarHBondContact O-N 3.46Å; R728-C730 PolarHBondContact O-N 2.63Å; C730-T732 PolarHBondContact O-N 3.04Å
731F86.4Confident81Confident1 Ų148.6 Ų48.60%0.00429%0.29CS..  trans-77.585.1175.8-171.7-124.7000109.5F708 A721 F726 H727 R728 T739 L740 Y745 F754F708-F731 HydrophobicContact CE2-CD2 4.09Å; A721-F731 HydrophobicContact CB-CE2 4.33Å; A721-F731 HydrophobicContact CB-CZ 4.21Å; F726-F731 HydrophobicContact CB-CB 4.23Å; F726-F731 HydrophobicContact CD1-CD2 4.33Å; F726-F731 AromaticContact CD2-CD2 3.82Å; F726-F731 HydrophobicContact CD2-CD2 3.82Å; F726-F731 HydrophobicContact CD2-CE2 4.26Å; F726-F731 HydrophobicContact CD2-CG 4.45Å; F726-F731 HydrophobicContact CE1-CD2 4.47Å; F726-F731 HydrophobicContact CE2-CD2 4.01Å; F726-F731 HydrophobicContact CE2-CE2 4.01Å; F726-F731 AromaticContact CG-CD2 3.99Å; F726-F731 HydrophobicContact CG-CD2 3.99Å; F726-F731 HydrophobicContact CZ-CD2 4.32Å; F726-F731 HydrophobicContact CZ-CE2 4.26Å; H727-F731 PolarHBondContact O-N 2.77Å; R728-F731 PolarHBondContact O-N 3.09Å; F731-T739 WeakPolarHBondContact O-CA 3.21Å; F731-L740 HydrophobicContact CD1-CB 3.53Å; F731-L740 HydrophobicContact CE1-CB 3.46Å; F731-L740 VanDerWaalsContact CE1-CB 3.46Å; F731-L740 HydrophobicContact CE1-CD1 4.4Å; F731-L740 HydrophobicContact CE2-CD1 4.43Å; F731-L740 HydrophobicContact CG-CB 4.25Å; F731-L740 HydrophobicContact CZ-CB 4.15Å; F731-L740 HydrophobicContact CZ-CD1 4.28Å; F731-L740 PolarHBondContact O-N 3.46Å; F731-Y745 HydrophobicContact CE1-CD1 4.03Å; F731-Y745 HydrophobicContact CE1-CG 4.49Å; F731-Y745 AromaticContact CZ-CD1 3.66Å; F731-Y745 HydrophobicContact CZ-CD1 3.66Å; F731-Y745 HydrophobicContact CZ-CD2 4.36Å; F731-Y745 HydrophobicContact CZ-CE1 4Å; F731-Y745 AromaticContact CZ-CG 3.88Å; F731-Y745 HydrophobicContact CZ-CG 3.88Å; F731-F754 AromaticContact CE2-CD1 3.6Å; F731-F754 HydrophobicContact CE2-CD1 3.6Å; F731-F754 AromaticContact CE2-CE1 3.77Å; F731-F754 HydrophobicContact CE2-CE1 3.77Å; F731-F754 HydrophobicContact CE2-CG 4.03Å; F731-F754 HydrophobicContact CE2-CZ 4.35Å; F731-F754 HydrophobicContact CZ-CD1 4.1Å; F731-F754 HydrophobicContact CZ-CE1 4.35Å
732T84.3Confident80.6Confident36 Ų3650.9 Ų50.922%0.22130%0.301CS..BIsolated β-bridgetrans-126.4145.9-170.955.20000113.4C730 H734 I738C730-T732 PolarHBondContact O-N 3.04Å; T732-H734 PolarHBondContact O-N 2.86Å; T732-I738 CarbonylContact C-O 3.41Å; T732-I738 VanDerWaalsContact CA-O 3.22Å; T732-I738 WeakPolarHBondContact CA-O 3.05Å
733C86.5Confident79.7Confident1 Ų150.4 Ų50.41%0.00732%0.318CS..  trans-57.8131.7170.3177.60000110.8S735 G737 I738 L740 F754 C756C733-S735 PolarHBondContact O-N 2.89Å; C733-G737 VanDerWaalsContact O-CA 3.25Å; C733-G737 WeakPolarHBondContact O-CA 3.27Å; C733-G737 PolarHBondContact O-N 2.96Å; C733-I738 HydrophobicContact CB-CG2 3.83Å; C733-I738 PolarHBondContact N-O 2.93Å; C733-L740 HydrophobicContact CB-CD2 4.07Å; C733-L740 HydrophobicContact CB-CG 4.43Å; C733-F754 CarbonylContact C-O 3.55Å; C733-F754 WeakPolarHBondContact CA-O 3.27Å; C733-C756 HydrophobicContact CB-CB 4.3Å; C733-C756 PolarHBondContact SG-N 3.29Å; C733-C756 VanDerWaalsContact SG-N 3.41Å
734H83.8Confident79.2Confident103 Ų10347.3 Ų47.348%0.47729%0.286SS..THydrogen-bonded Turntrans-62.9-42.3-179.8-175.269.1000113.1T732 R753 F754 Y755T732-H734 PolarHBondContact O-N 2.86Å; H734-R753 HydrophobicContact CB-CB 4.33Å; H734-R753 PolarHBondContact CE1-NH1 3.33Å; H734-R753 VanDerWaalsContact CE1-NH1 3.33Å; H734-R753 PolarHBondContact NE2-NH1 3.49Å; H734-F754 PolarHBondContact N-O 3.35Å; H734-Y755 HydrophobicContact CB-CD1 4.46Å; H734-Y755 HydrophobicContact CB-CE1 4.04Å
735S81.9Confident79.1Confident70 Ų7045 Ų4549%0.4928%0.278SS..THydrogen-bonded Turntrans-75.1-36.6-173.8-49.10000114C733 Y755C733-S735 PolarHBondContact O-N 2.89Å; S735-Y755 WeakPolarHBondContact OG-CD1 3.46Å; S735-Y755 WeakPolarHBondContact OG-CE1 3.48Å
736C78.8Confident78.9Confident66 Ų6644.6 Ų44.645%0.44628%0.281SS..THydrogen-bonded Turntrans-124.6-3.3-172.6690000115.5I738 H759C736-I738 PolarHBondContact O-N 3.41Å; C736-I738 VanDerWaalsContact SG-CG2 3.54Å; C736-H759 VanDerWaalsContact SG-CE1 3.54Å
737G78.5Confident78.8Confident46 Ų4646.5 Ų46.547%0.47429%0.29SS..  trans69.75.6178.300000115.8C733C733-G737 VanDerWaalsContact O-CA 3.25Å; C733-G737 WeakPolarHBondContact O-CA 3.27Å; C733-G737 PolarHBondContact O-N 2.96Å
738I77.9Confident78.8Confident99 Ų9947.8 Ų47.851%0.50830%0.297SS..PPolyproline II helixtrans-66.7137.9177.5-159.4169000110.7T732 C733 C736 L740 C756T732-I738 CarbonylContact C-O 3.41Å; T732-I738 VanDerWaalsContact CA-O 3.22Å; T732-I738 WeakPolarHBondContact CA-O 3.05Å; C733-I738 HydrophobicContact CB-CG2 3.83Å; C733-I738 PolarHBondContact N-O 2.93Å; C736-I738 PolarHBondContact O-N 3.41Å; C736-I738 VanDerWaalsContact SG-CG2 3.54Å; I738-L740 PolarHBondContact O-N 3.39Å; I738-C756 HydrophobicContact CG2-CB 4.21Å
739T79.8Confident78.6Confident70 Ų7054.8 Ų54.843%0.42933%0.328SS..BIsolated β-bridgetrans-65.7125.5172.8-53.10000110.3R728 F731R728-T739 VanDerWaalsContact O-CG2 3.27Å; R728-T739 WeakPolarHBondContact O-CG2 3.46Å; F731-T739 WeakPolarHBondContact O-CA 3.21Å
740L79.8Confident78.5Confident4 Ų457.9 Ų57.92%0.02134%0.337CS..PPolyproline II helixtrans-83.5156.1-178.8-63.6169.2000110.7F731 C733 I738 F754 C756F731-L740 HydrophobicContact CD1-CB 3.53Å; F731-L740 HydrophobicContact CE1-CB 3.46Å; F731-L740 VanDerWaalsContact CE1-CB 3.46Å; F731-L740 HydrophobicContact CE1-CD1 4.4Å; F731-L740 HydrophobicContact CE2-CD1 4.43Å; F731-L740 HydrophobicContact CG-CB 4.25Å; F731-L740 HydrophobicContact CZ-CB 4.15Å; F731-L740 HydrophobicContact CZ-CD1 4.28Å; F731-L740 PolarHBondContact O-N 3.46Å; C733-L740 HydrophobicContact CB-CD2 4.07Å; C733-L740 HydrophobicContact CB-CG 4.43Å; I738-L740 PolarHBondContact O-N 3.39Å; L740-F754 HydrophobicContact CD1-CB 3.66Å; L740-C756 HydrophobicContact CD2-CB 3.6Å
741R78.9Confident78.3Confident55 Ų5558.9 Ų58.921%0.20834%0.344CS..  trans-113.5152.2172.2-62.9-179.2-167.3-104.8-2.2109G743 G744 L1108 E1112 E1159R741-G743 PolarHBondContact O-N 2.81Å; R741-G744 PolarHBondContact O-N 3.28Å; R741-L1108 PolarHBondContact NH1-O 3.13Å; R741-E1112 IonicContact CZ-OE2 3.84Å; R741-E1112 IonicContact NH1-OE2 2.69Å; R741-E1112 IonicContact NH2-OE2 2.73Å; R741-E1112 PolarHBondContact NH2-OE2 2.88Å; R741-E1159 VanDerWaalsContact CD-OE1 3.28Å; R741-E1159 WeakPolarHBondContact CD-OE1 3.26Å; R741-E1159 IonicContact CZ-OE1 2.79Å; R741-E1159 IonicContact NE-OE1 3.44Å; R741-E1159 IonicContact NH1-OE1 2.71Å; R741-E1159 PolarHBondContact NH1-OE1 2.84Å
742L68.3Low77.9Confident56 Ų5659.3 Ų59.329%0.29335%0.349SS..THydrogen-bonded Turntrans-63.1126.8175.1-71.1172.1000109.1I719 A721 V1156I719-L742 HydrophobicContact CG2-CD1 4.25Å; I719-L742 HydrophobicContact CG2-CD2 3.81Å; I719-L742 HydrophobicContact CG2-CG 4.1Å; A721-L742 HydrophobicContact CB-CD2 4.18Å; L742-V1156 HydrophobicContact CD1-CG1 4.11Å
743G61.6Low77.9Confident72 Ų7263 Ų6374%0.74236%0.359SS*.THydrogen-bonded Turntrans81.58.6-172.800000115.4R741R741-G743 PolarHBondContact O-N 2.81Å
744G67Low77.9Confident10 Ų1063 Ų6310%0.10336%0.359CS..SBendtrans-131.844175.200000112.6R741 E757R741-G744 PolarHBondContact O-N 3.28Å; G744-E757 WeakPolarHBondContact CA-OE1 3.32Å
745Y78.6Confident77.9Confident55 Ų5558.9 Ų58.922%0.21634%0.34CS..  trans-146.9155.518073.1-90.3000111.2A721 E722 F731 F747 F754 Y755A721-Y745 HydrophobicContact CB-CE1 4.17Å; A721-Y745 WeakPolarHBondContact CB-OH 3.26Å; E722-Y745 HydrophobicContact CG-CE2 4.22Å; E722-Y745 WeakPolarHBondContact OE1-CE2 3.33Å; E722-Y745 PolarHBondContact OE1-OH 3.37Å; F731-Y745 HydrophobicContact CE1-CD1 4.03Å; F731-Y745 HydrophobicContact CE1-CG 4.49Å; F731-Y745 AromaticContact CZ-CD1 3.66Å; F731-Y745 HydrophobicContact CZ-CD1 3.66Å; F731-Y745 HydrophobicContact CZ-CD2 4.36Å; F731-Y745 HydrophobicContact CZ-CE1 4Å; F731-Y745 AromaticContact CZ-CG 3.88Å; F731-Y745 HydrophobicContact CZ-CG 3.88Å; Y745-F747 HydrophobicContact CD2-CB 4.43Å; Y745-F747 HydrophobicContact CE2-CB 4.2Å; Y745-F754 AromaticContact CD2-CD1 3.71Å; Y745-F754 HydrophobicContact CD2-CD1 3.71Å; Y745-F754 HydrophobicContact CD2-CE1 4.1Å; Y745-F754 HydrophobicContact CE2-CD1 4.03Å; Y745-F754 AromaticContact CE2-CE1 3.93Å; Y745-F754 HydrophobicContact CE2-CE1 3.93Å; Y745-F754 HydrophobicContact CG-CD1 4.46Å; Y745-Y755 CarbonylContact C-O 3.59Å; Y745-Y755 VanDerWaalsContact CA-O 3.23Å; Y745-Y755 WeakPolarHBondContact CA-O 3.47Å; Y745-Y755 WeakPolarHBondContact CB-O 3.34Å
746A80.1Confident77.8Confident30 Ų3056.5 Ų56.525%0.24832%0.323CS..EExtended strand (participates in β ladder)trans-110.8151.7160.900000110F754 Y755A746-F754 WeakPolarHBondContact O-CA 3.32Å; A746-Y755 PolarHBondContact N-O 3.02Å; A746-Y755 PolarHBondContact O-N 3.38Å
747F82.4Confident77.4Confident40 Ų4057.3 Ų57.318%0.17532%0.32CS..EExtended strand (participates in β ladder)trans-123.3117.5176.8175-112.8000109.9E722 Y745 K749 G752 R753 F754E722-F747 HydrophobicContact CB-CD1 4.13Å; E722-F747 HydrophobicContact CB-CE1 4.14Å; E722-F747 HydrophobicContact CB-CG 4.4Å; E722-F747 HydrophobicContact CB-CZ 4.41Å; E722-F747 HydrophobicContact CG-CB 3.84Å; E722-F747 HydrophobicContact CG-CD1 3.66Å; E722-F747 HydrophobicContact CG-CD2 4.12Å; E722-F747 HydrophobicContact CG-CE1 4.18Å; E722-F747 HydrophobicContact CG-CG 3.62Å; Y745-F747 HydrophobicContact CD2-CB 4.43Å; Y745-F747 HydrophobicContact CE2-CB 4.2Å; F747-K749 HydrophobicContact CD1-CG 3.85Å; F747-K749 HydrophobicContact CE1-CB 4.37Å; F747-K749 HydrophobicContact CE1-CG 3.91Å; F747-K749 PolarHBondContact O-N 3.48Å; F747-G752 VanDerWaalsContact CE2-C 3.47Å; F747-R753 WeakPolarHBondContact CD2-O 3.42Å; F747-F754 HydrophobicContact CB-CD1 4.18Å; F747-F754 HydrophobicContact CB-CE1 4.06Å; F747-F754 AromaticContact CD2-CD1 3.83Å; F747-F754 HydrophobicContact CD2-CD1 3.83Å; F747-F754 AromaticContact CD2-CD2 3.97Å; F747-F754 HydrophobicContact CD2-CD2 3.97Å; F747-F754 AromaticContact CD2-CE1 3.51Å; F747-F754 HydrophobicContact CD2-CE1 3.51Å; F747-F754 AromaticContact CD2-CE2 3.66Å; F747-F754 HydrophobicContact CD2-CE2 3.66Å; F747-F754 HydrophobicContact CD2-CG 4.06Å; F747-F754 AromaticContact CD2-CZ 3.41Å; F747-F754 HydrophobicContact CD2-CZ 3.41Å; F747-F754 VanDerWaalsContact CD2-CZ 3.41Å; F747-F754 HydrophobicContact CE2-CD2 4.25Å; F747-F754 HydrophobicContact CE2-CE1 4.22Å; F747-F754 AromaticContact CE2-CE2 3.65Å; F747-F754 HydrophobicContact CE2-CE2 3.65Å; F747-F754 AromaticContact CE2-CZ 3.64Å; F747-F754 HydrophobicContact CE2-CZ 3.64Å; F747-F754 HydrophobicContact CG-CD1 4.44Å; F747-F754 HydrophobicContact CG-CE1 4.05Å; F747-F754 HydrophobicContact CG-CZ 4.26Å
748D82.9Confident76.9Confident47 Ų4760.6 Ų60.625%0.25132%0.324SS..EExtended strand (participates in β ladder)trans-78.1110.5168.5171.424.9000109.2N750 S751 G752 R753 Y755D748-N750 PolarHBondContact O-N 3.46Å; D748-N750 WeakPolarHBondContact OD1-CB 3.4Å; D748-N750 PolarHBondContact OD1-N 2.63Å; D748-S751 WeakPolarHBondContact OD2-CA 3.34Å; D748-S751 WeakPolarHBondContact OD2-CB 3.48Å; D748-S751 PolarHBondContact OD2-N 3.25Å; D748-S751 PolarHBondContact OD2-OG 2.83Å; D748-G752 VanDerWaalsContact O-CA 3.27Å; D748-G752 WeakPolarHBondContact O-CA 3.37Å; D748-G752 PolarHBondContact O-N 3.43Å; D748-R753 PolarHBondContact N-O 3.46Å; D748-R753 PolarHBondContact O-N 2.83Å; D748-Y755 HydrophobicContact CB-CE2 4Å
749K74.3Confident76.7Confident168 Ų16858.3 Ų58.373%0.7331%0.311SS*.THydrogen-bonded Turntrans-64.3-23.7177.9-65.7175.8-179.3173.50112.7F747F747-K749 HydrophobicContact CD1-CG 3.85Å; F747-K749 HydrophobicContact CE1-CB 4.37Å; F747-K749 HydrophobicContact CE1-CG 3.91Å; F747-K749 PolarHBondContact O-N 3.48Å
750N74.2Confident76.2Confident156 Ų15656.2 Ų56.283%0.83430%0.299SS*.THydrogen-bonded Turntrans-85.1-46.3-174.3-63.8-3.9000112D748D748-N750 PolarHBondContact O-N 3.46Å; D748-N750 WeakPolarHBondContact OD1-CB 3.4Å; D748-N750 PolarHBondContact OD1-N 2.63Å
751S77.8Confident75.1Confident51 Ų5162 Ų6236%0.35733%0.326SS..THydrogen-bonded Turntrans-89.6-11.2174.272.50000114.5D748 R753D748-S751 WeakPolarHBondContact OD2-CA 3.34Å; D748-S751 WeakPolarHBondContact OD2-CB 3.48Å; D748-S751 PolarHBondContact OD2-N 3.25Å; D748-S751 PolarHBondContact OD2-OG 2.83Å; S751-R753 VanDerWaalsContact C-N 3.31Å; S751-R753 WeakPolarHBondContact OG-CB 3.42Å; S751-R753 WeakPolarHBondContact OG-CD 3.46Å; S751-R753 WeakPolarHBondContact OG-CG 3.28Å
752G79.5Confident74Confident10 Ų1063.8 Ų63.810%0.10334%0.34CS..THydrogen-bonded Turntrans7123.4-176.500000113.9Y707 F747 D748Y707-G752 PolarHBondContact OH-O 3.12Å; F747-G752 VanDerWaalsContact CE2-C 3.47Å; D748-G752 VanDerWaalsContact O-CA 3.27Å; D748-G752 WeakPolarHBondContact O-CA 3.37Å; D748-G752 PolarHBondContact O-N 3.43Å
753R84.4Confident73.3Confident113 Ų11363.7 Ų63.743%0.42634%0.339SS..EExtended strand (participates in β ladder)trans-106.7150.1-172.2-64.7176.7-169.8-169.210.1112.2H734 F747 D748 S751 Y755H734-R753 HydrophobicContact CB-CB 4.33Å; H734-R753 PolarHBondContact CE1-NH1 3.33Å; H734-R753 VanDerWaalsContact CE1-NH1 3.33Å; H734-R753 PolarHBondContact NE2-NH1 3.49Å; F747-R753 WeakPolarHBondContact CD2-O 3.42Å; D748-R753 PolarHBondContact N-O 3.46Å; D748-R753 PolarHBondContact O-N 2.83Å; S751-R753 VanDerWaalsContact C-N 3.31Å; S751-R753 WeakPolarHBondContact OG-CB 3.42Å; S751-R753 WeakPolarHBondContact OG-CD 3.46Å; S751-R753 WeakPolarHBondContact OG-CG 3.28Å; R753-Y755 HydrophobicContact CB-CD2 4.46Å; R753-Y755 HydrophobicContact CB-CE2 3.53Å
754F86.1Confident73Confident1 Ų166.8 Ų66.80%0.00434%0.338CS..EExtended strand (participates in β ladder)trans-106.1137.2179.7-67.8-91.6000110.5Y707 F708 E722 F726 F731 C733 H734 L740 Y745 A746 F747Y707-F754 HydrophobicContact CD1-CE2 4.3Å; Y707-F754 HydrophobicContact CE1-CE2 4.32Å; F708-F754 HydrophobicContact CE2-CD2 4.25Å; F708-F754 HydrophobicContact CZ-CB 4.42Å; F708-F754 AromaticContact CZ-CD2 3.69Å; F708-F754 HydrophobicContact CZ-CD2 3.69Å; F708-F754 HydrophobicContact CZ-CE2 4.4Å; F708-F754 HydrophobicContact CZ-CG 4.33Å; E722-F754 HydrophobicContact CB-CE1 4.43Å; E722-F754 HydrophobicContact CB-CZ 4.18Å; E722-F754 HydrophobicContact CG-CE1 3.69Å; E722-F754 HydrophobicContact CG-CZ 3.92Å; F726-F754 AromaticContact CE1-CE2 4Å; F726-F754 HydrophobicContact CE1-CE2 4Å; F726-F754 HydrophobicContact CE1-CZ 4.19Å; F726-F754 HydrophobicContact CZ-CE1 4.42Å; F726-F754 AromaticContact CZ-CE2 3.95Å; F726-F754 HydrophobicContact CZ-CE2 3.95Å; F726-F754 AromaticContact CZ-CZ 3.66Å; F726-F754 HydrophobicContact CZ-CZ 3.66Å; F731-F754 AromaticContact CE2-CD1 3.6Å; F731-F754 HydrophobicContact CE2-CD1 3.6Å; F731-F754 AromaticContact CE2-CE1 3.77Å; F731-F754 HydrophobicContact CE2-CE1 3.77Å; F731-F754 HydrophobicContact CE2-CG 4.03Å; F731-F754 HydrophobicContact CE2-CZ 4.35Å; F731-F754 HydrophobicContact CZ-CD1 4.1Å; F731-F754 HydrophobicContact CZ-CE1 4.35Å; C733-F754 CarbonylContact C-O 3.55Å; C733-F754 WeakPolarHBondContact CA-O 3.27Å; H734-F754 PolarHBondContact N-O 3.35Å; L740-F754 HydrophobicContact CD1-CB 3.66Å; Y745-F754 AromaticContact CD2-CD1 3.71Å; Y745-F754 HydrophobicContact CD2-CD1 3.71Å; Y745-F754 HydrophobicContact CD2-CE1 4.1Å; Y745-F754 HydrophobicContact CE2-CD1 4.03Å; Y745-F754 AromaticContact CE2-CE1 3.93Å; Y745-F754 HydrophobicContact CE2-CE1 3.93Å; Y745-F754 HydrophobicContact CG-CD1 4.46Å; A746-F754 WeakPolarHBondContact O-CA 3.32Å; F747-F754 HydrophobicContact CB-CD1 4.18Å; F747-F754 HydrophobicContact CB-CE1 4.06Å; F747-F754 AromaticContact CD2-CD1 3.83Å; F747-F754 HydrophobicContact CD2-CD1 3.83Å; F747-F754 AromaticContact CD2-CD2 3.97Å; F747-F754 HydrophobicContact CD2-CD2 3.97Å; F747-F754 AromaticContact CD2-CE1 3.51Å; F747-F754 HydrophobicContact CD2-CE1 3.51Å; F747-F754 AromaticContact CD2-CE2 3.66Å; F747-F754 HydrophobicContact CD2-CE2 3.66Å; F747-F754 HydrophobicContact CD2-CG 4.06Å; F747-F754 AromaticContact CD2-CZ 3.41Å; F747-F754 HydrophobicContact CD2-CZ 3.41Å; F747-F754 VanDerWaalsContact CD2-CZ 3.41Å; F747-F754 HydrophobicContact CE2-CD2 4.25Å; F747-F754 HydrophobicContact CE2-CE1 4.22Å; F747-F754 AromaticContact CE2-CE2 3.65Å; F747-F754 HydrophobicContact CE2-CE2 3.65Å; F747-F754 AromaticContact CE2-CZ 3.64Å; F747-F754 HydrophobicContact CE2-CZ 3.64Å; F747-F754 HydrophobicContact CG-CD1 4.44Å; F747-F754 HydrophobicContact CG-CE1 4.05Å; F747-F754 HydrophobicContact CG-CZ 4.26Å
755Y82.4Confident72.2Confident18 Ų1873.1 Ų73.17%0.07137%0.369CS..EExtended strand (participates in β ladder)trans-129.4150.2-177.6-60.8-93.4000109.2H734 S735 Y745 A746 D748 R753 H759 L763H734-Y755 HydrophobicContact CB-CD1 4.46Å; H734-Y755 HydrophobicContact CB-CE1 4.04Å; S735-Y755 WeakPolarHBondContact OG-CD1 3.46Å; S735-Y755 WeakPolarHBondContact OG-CE1 3.48Å; Y745-Y755 CarbonylContact C-O 3.59Å; Y745-Y755 VanDerWaalsContact CA-O 3.23Å; Y745-Y755 WeakPolarHBondContact CA-O 3.47Å; Y745-Y755 WeakPolarHBondContact CB-O 3.34Å; A746-Y755 PolarHBondContact N-O 3.02Å; A746-Y755 PolarHBondContact O-N 3.38Å; D748-Y755 HydrophobicContact CB-CE2 4Å; R753-Y755 HydrophobicContact CB-CD2 4.46Å; R753-Y755 HydrophobicContact CB-CE2 3.53Å; Y755-H759 HydrophobicContact CD1-CB 4.15Å; Y755-L763 HydrophobicContact CD1-CD1 3.97Å; Y755-L763 HydrophobicContact CD2-CD1 3.63Å; Y755-L763 HydrophobicContact CE1-CD1 3.99Å; Y755-L763 HydrophobicContact CE2-CD1 3.67Å; Y755-L763 HydrophobicContact CG-CD1 3.81Å
756C80.4Confident70.6Confident20 Ų2077.7 Ų77.714%0.13540%0.397CS..  trans-80.2155.9164.761.50000109.2C733 I738 L740 M758 H759 S760C733-C756 HydrophobicContact CB-CB 4.3Å; C733-C756 PolarHBondContact SG-N 3.29Å; C733-C756 VanDerWaalsContact SG-N 3.41Å; I738-C756 HydrophobicContact CG2-CB 4.21Å; L740-C756 HydrophobicContact CD2-CB 3.6Å; C756-M758 VanDerWaalsContact C-N 3.28Å; C756-M758 PolarHBondContact O-N 2.96Å; C756-H759 PolarHBondContact O-N 3.49Å; C756-H759 PolarHBondContact SG-ND1 3.38Å; C756-S760 PolarHBondContact O-N 3.33Å
757E71.3Confident68.9Low83 Ų8381.8 Ų81.839%0.38842%0.415SS..THydrogen-bonded Turntrans-39.6-51.1-176.1-67.4163.9-148.400113.8G744 H759 S760 E761G744-E757 WeakPolarHBondContact CA-OE1 3.32Å; E757-H759 VanDerWaalsContact C-N 3.33Å; E757-H759 PolarHBondContact O-N 3.03Å; E757-S760 WeakPolarHBondContact O-CA 3.47Å; E757-S760 WeakPolarHBondContact O-CB 3.48Å; E757-S760 PolarHBondContact O-N 3.14Å; E757-S760 PolarHBondContact O-OG 3.33Å; E757-E761 PolarHBondContact O-N 3.06Å
758M67.6Low66.9Low114 Ų11483.6 Ų83.656%0.56245%0.445SS*.Hα-helixtrans-55.3-40.8178.5-61.1179.870.800114.4C756 S760C756-M758 VanDerWaalsContact C-N 3.28Å; C756-M758 PolarHBondContact O-N 2.96Å; M758-S760 VanDerWaalsContact C-N 3.27Å; M758-S760 PolarHBondContact O-N 3.49Å
759H73.2Confident64.5Low51 Ų5187.8 Ų87.824%0.23647%0.472CS..Hα-helixtrans-89.28.2178.2-61.1107.7000112.6C736 Y755 C756 E757 D762C736-H759 VanDerWaalsContact SG-CE1 3.54Å; Y755-H759 HydrophobicContact CD1-CB 4.15Å; C756-H759 PolarHBondContact O-N 3.49Å; C756-H759 PolarHBondContact SG-ND1 3.38Å; E757-H759 VanDerWaalsContact C-N 3.33Å; E757-H759 PolarHBondContact O-N 3.03Å; H759-D762 IonicContact CD2-OD2 3.13Å
760S69.5Low62.5Low26 Ų2688.8 Ų88.818%0.18248%0.479CS..Hα-helixtrans-97.4-31.5169.575.20000111.8C756 E757 M758 D762 L763 L764C756-S760 PolarHBondContact O-N 3.33Å; E757-S760 WeakPolarHBondContact O-CA 3.47Å; E757-S760 WeakPolarHBondContact O-CB 3.48Å; E757-S760 PolarHBondContact O-N 3.14Å; E757-S760 PolarHBondContact O-OG 3.33Å; M758-S760 VanDerWaalsContact C-N 3.27Å; M758-S760 PolarHBondContact O-N 3.49Å; S760-D762 VanDerWaalsContact C-N 3.33Å; S760-L763 PolarHBondContact O-N 2.61Å; S760-L764 PolarHBondContact O-N 2.98Å
761E56.5Low60.4Low126 Ų12686.4 Ų86.459%0.58948%0.481SS*.Hα-helixtrans-61.7-42.1169.6-65.1174-179.200110.6E757 L763 L764 L765E757-E761 PolarHBondContact O-N 3.06Å; E761-L763 VanDerWaalsContact C-N 3.28Å; E761-L763 PolarHBondContact O-N 2.82Å; E761-L764 PolarHBondContact O-N 3.11Å; E761-L765 PolarHBondContact O-N 2.64Å
762D55.4Low58.1Low92 Ų9289.3 Ų89.349%0.49250%0.501SS..Hα-helixtrans-55.2-38.8173.3-67.4-34.5000113.1H759 S760 L764 L765 D766H759-D762 IonicContact CD2-OD2 3.13Å; S760-D762 VanDerWaalsContact C-N 3.33Å; D762-L764 VanDerWaalsContact C-N 3.32Å; D762-L764 PolarHBondContact O-N 2.91Å; D762-L765 PolarHBondContact O-N 2.66Å; D762-D766 PolarHBondContact O-N 2.67Å
763L55.2Low55.7Low54 Ų5494.6 Ų94.628%0.28354%0.536SS..Hα-helixtrans-73.5-22.8-177.3-69.5170.6000113.6Y755 S760 E761 N767Y755-L763 HydrophobicContact CD1-CD1 3.97Å; Y755-L763 HydrophobicContact CD2-CD1 3.63Å; Y755-L763 HydrophobicContact CE1-CD1 3.99Å; Y755-L763 HydrophobicContact CE2-CD1 3.67Å; Y755-L763 HydrophobicContact CG-CD1 3.81Å; S760-L763 PolarHBondContact O-N 2.61Å; E761-L763 VanDerWaalsContact C-N 3.28Å; E761-L763 PolarHBondContact O-N 2.82Å; L763-N767 PolarHBondContact O-ND2 3.35Å
764L54.3Low53Low137 Ų13798.4 Ų98.472%0.71756%0.558SS**Hα-helixtrans-80.4-19.5174.7-64.8171.8000112S760 E761 D762S760-L764 PolarHBondContact O-N 2.98Å; E761-L764 PolarHBondContact O-N 3.11Å; D762-L764 VanDerWaalsContact C-N 3.32Å; D762-L764 PolarHBondContact O-N 2.91Å
765L51.3Low50.3Low144 Ų144105.5 Ų105.575%0.75460%0.596SS**Hα-helixtrans-87.7-29.9177.8-64.7173.2000113E761 D762E761-L765 PolarHBondContact O-N 2.64Å; D762-L765 PolarHBondContact O-N 2.66Å
766D43.6Very low47.9Very low150 Ų150111.5 Ų111.580%0.80263%0.628SS**Hα-helixtrans-80-30.7175.5-106.3-1000113D762 G768D762-D766 PolarHBondContact O-N 2.67Å; D766-G768 PolarHBondContact O-N 3.4Å
767N45.2Very low45.3Very low117 Ų117118.5 Ų118.563%0.62666%0.664SS**SBendtrans-97.670.8-178.6-69.7-64.7000112.4L763 V769L763-N767 PolarHBondContact O-ND2 3.35Å; N767-V769 PolarHBondContact O-N 3.49Å
768G39.8Very low43.4Very low77 Ų77122.6 Ų122.679%0.79468%0.683SS**  trans-68.187.5178.300000114.4D766D766-G768 PolarHBondContact O-N 3.4Å
769V33.2Very low41.5Very low135 Ų135124.4 Ų124.482%0.81870%0.695SS**  trans-135.5131.8163.1-176.10000108.4N767N767-V769 PolarHBondContact O-N 3.49Å
770E32.9Very low39.5Very low189 Ų189130 Ų13088%0.88372%0.721SS**  trans-68.8135.7-179.3-63.6177.313300111.5
771A29.5Very low37.6Very low107 Ų107136 Ų13688%0.88475%0.746SS**  trans-102.289.7175.500000110.4
772S28.8Very low36.3Very low111 Ų111136.7 Ų136.778%0.77675%0.754SS**  trans-86.6134.2166.153.80000110.6
773C29.1Very low34.8Very low122 Ų122136 Ų13682%0.82477%0.769SS**  trans-84.3132.1171.547.40000111.4
774E28.1Very low33.5Very low193 Ų193141.7 Ų141.790%0.90280%0.799SS**  trans-139144158.7-69.1-166.7145.200108.5
775D29.5Very low32.2Very low150 Ų150141 Ų14180%0.80281%0.805SS**  trans-99.1151.6-176.4-78.6-63.9000112.2
776I32.2Very low31Very low144 Ų144138.4 Ų138.474%0.73880%0.799SS**  trans26.8119.6148-51.6170.9000118.6
777D26.2Very low30.2Very low166 Ų166139.5 Ų139.589%0.88880%0.799SS**  trans-156.3166.6132.1-111.8-24000111.2
778E29.9Very low29.3Very low170 Ų170138.6 Ų138.679%0.79480%0.802SS**  trans-106.4165.4-164.9-61.3-176.5125.100115.6
779D27.6Very low28.6Very low151 Ų151145.1 Ų145.181%0.80781%0.805SS**  trans83.3141.1150.8-77.9-22000126.2
780E31.6Very low28.2Very low170 Ų170144.3 Ų144.379%0.79480%0.8SS**  trans65.9120.2152.1-71.2-162.8154.900126.8
781E30Very low28.8Very low151 Ų151140.2 Ų140.271%0.70679%0.79SS**  trans80.8130.2131.9-74.9-137.8126.700125.7
782N28Very low28.7Very low141 Ų141140.6 Ų140.675%0.75479%0.786SS**  trans71.1142.5141.6-76.3-45.3000122.7
783G25.8Very low29.4Very low78 Ų78141.3 Ų141.380%0.80479%0.788SS**  trans150.268.6161.700000119
784L27.7Very low29.6Very low172 Ų172140.2 Ų140.290%0.90178%0.781SS**  trans-67.9154.2175.2-68.9159.5000115
785S25.6Very low29.9Very low122 Ų122138.1 Ų138.185%0.85378%0.777SS**  trans74.4149.7145.8-156.70000117.9
786S25.8Very low30Very low90 Ų90139.5 Ų139.563%0.62978%0.778SS**  cis-163.9172.7-23.6-175.40000109.8
787E27.4Very low30.2Very low173 Ų173138.5 Ų138.581%0.80877%0.77SS**  trans-12.4151.5166.5-52162.6130.600118.7
788S27.1Very low30.4Very low98 Ų98139.7 Ų139.769%0.68576%0.764SS**  170.2172.465.754.10000115.5
789Y24.3Very low30.5Very low215 Ų215137.9 Ų137.984%0.84375%0.753SS**  trans85.4141.1150.9-91.4-75.9000124.2
790T25.2Very low30.7Very low117 Ų117137.8 Ų137.872%0.71875%0.752SS**  trans-120.2-161.8-176.360.50000109.2
791P44.7Very low30.6Very low103 Ų103135.9 Ų135.967%0.66974%0.741SS**  cis-135.8176.9-24.732.3-12.2000115.6
792S28.1Very low31.2Very low116 Ų116134.4 Ų134.481%0.81175%0.745SS**  trans68.9165.6147.9-71.50000120.2
793P43.7Very low31.4Very low126 Ų126133.3 Ų133.382%0.81874%0.739SS**  cis-125.1-161.811.643.1-26.3000116.8
794S33.6Very low31.6Very low98 Ų98132.9 Ų132.969%0.68574%0.735SS**  trans-117.8-166.1-163.552.30000112.8
795D33.7Very low31.6Very low150 Ų150132.1 Ų132.180%0.80274%0.737SS**  cis-123.3-134.721.5-56.2-57.4000113.8
796E32Very low31.5Very low179 Ų179131.1 Ų131.184%0.83673%0.73SS**  cis-146.3-150.516.1-152.2-168.211600112.3
797E36.6Very low31.6Very low122 Ų122131.5 Ų131.557%0.5773%0.733SS**  trans-119.1171-163.2-65-163.7140.100115.2F799E797-F799 VanDerWaalsContact OE1-CE2 3.27Å; E797-F799 WeakPolarHBondContact OE1-CE2 3.01Å
798Y29.3Very low31.5Very low191 Ų191129.4 Ų129.475%0.74973%0.732SS**  cis-140.2159.736.5-84.2-111.2000111.4
799F33.7Very low31.3Very low132 Ų132130.5 Ų130.558%0.57973%0.734SS**  67.7138.852.1-74.7-48.7000115.2E797 K801E797-F799 VanDerWaalsContact OE1-CE2 3.27Å; E797-F799 WeakPolarHBondContact OE1-CE2 3.01Å; F799-K801 HydrophobicContact CD1-CD 4.31Å; F799-K801 HydrophobicContact CE1-CD 4.27Å
800L30.6Very low31.2Very low150 Ų150125.7 Ų125.779%0.78573%0.727SS**  cis-123.5174.75.9-66.6170.7000110.8
801K29.5Very low31.2Very low129 Ų129128.5 Ų128.556%0.56173%0.732SS**  cis77.2148.624.7-76.9168.7167-75.80115.6F799 D803F799-K801 HydrophobicContact CD1-CD 4.31Å; F799-K801 HydrophobicContact CE1-CD 4.27Å; K801-D803 WeakPolarHBondContact CD-OD2 3.5Å; K801-D803 WeakPolarHBondContact CG-OD2 3.42Å; K801-D803 IonicContact NZ-OD1 3.79Å; K801-D803 PolarHBondContact NZ-OD1 2.8Å; K801-D803 IonicContact NZ-OD2 3.75Å; K801-D803 PolarHBondContact NZ-OD2 3.04Å
802P43.9Very low30.4Very low120 Ų120127.7 Ų127.778%0.77973%0.729SS**  cis-110.7157.719.117.16.3000115.1
803D31.8Very low30.2Very low118 Ų118128.6 Ų128.663%0.63172%0.724SS**  cis78.3143.348.2-58.6-33.9000114.4K801K801-D803 WeakPolarHBondContact CD-OD2 3.5Å; K801-D803 WeakPolarHBondContact CG-OD2 3.42Å; K801-D803 IonicContact NZ-OD1 3.79Å; K801-D803 PolarHBondContact NZ-OD1 2.8Å; K801-D803 IonicContact NZ-OD2 3.75Å; K801-D803 PolarHBondContact NZ-OD2 3.04Å
804G28.5Very low29.3Very low69 Ų69128.2 Ų128.271%0.71172%0.716SS**  cis-156.6-148.4-1.200000110
805V27.6Very low28.9Very low156 Ų156130.7 Ų130.795%0.94572%0.716SS**  cis-145.2-1240.5-162.60000109.7
806S25.3Very low28.5Very low101 Ų101131.9 Ų131.971%0.70672%0.717SS**  trans-160.7145.4-177.3-1730000115.8
807S27.9Very low28.3Very low99 Ų99131.6 Ų131.669%0.69272%0.715SS**  trans58.5136.6148.6-56.30000125.5
808T23.7Very low28.6Very low129 Ų129130.7 Ų130.779%0.79172%0.72SS**  trans76.8121.7142.241.80000124.4
809V24.2Very low28.4Very low120 Ų120128 Ų12873%0.72772%0.719SS**  trans97.5126.1131.2167.30000121.8
810T21.7Very low28Very low114 Ų114128.5 Ų128.570%0.69972%0.723SS**  trans64.7124.5158.650.80000123.9
811H26Very low27.7Very low177 Ų177127.1 Ų127.182%0.81972%0.721SS**  48.8147.6126.4-71.8-96.9000121.7
812S26.6Very low27.5Very low86 Ų86127.6 Ų127.660%0.60173%0.728SS**  cis-163.8-160.4-647.50000111.2
813D24.4Very low26.7Very low134 Ų134129.5 Ų129.572%0.71773%0.726SS**  trans92125.8164.3-490.8000114.3
814D24.8Very low26.4Very low119 Ų119130.9 Ų130.964%0.63673%0.729SS**  cis-155.1149.13.7-128.5-12.3000115.2
815Q25.5Very low26.3Very low150 Ų150133 Ų13370%0.70173%0.733SS**  trans38.8151.4149.1-69.8160.56100121
816E25.6Very low26.3Very low174 Ų174135.5 Ų135.581%0.81373%0.731SS**  cis-155.5171.724.8-145167.7-156.400111.9
817E26.7Very low26.3Very low173 Ų173134.6 Ų134.681%0.80874%0.738SS**  trans-132.5178.9-177.4-94-110.8-149.500108.5
818P42.7Very low26.3Very low104 Ų104137.3 Ų137.368%0.67575%0.745SS**  cis-138.9-173.7-6.740.1-19.9000116.3
819D25.1Very low26.5Very low134 Ų134136 Ų13672%0.71774%0.741SS**  trans83161.7135.9-129.95.9000127.3
820Q25.6Very low26.6Very low143 Ų143139.1 Ų139.167%0.66875%0.747SS**  trans-45.8132-170.4-78.2159.881.200123.9
821T23.8Very low26.9Very low120 Ų120142.5 Ų142.574%0.73676%0.755SS**  79.3157.6126.466.20000124.5
822I25.2Very low28.4Very low139 Ų139138.7 Ų138.771%0.71375%0.746SS**  trans102.8105.3154.1-55.7-170.8000120.4
823H27.1Very low28.3Very low160 Ų160141.7 Ų141.774%0.74175%0.751SS**  trans64.6160.4146.2-69.3-16.4000121.2
824Q25.3Very low28.4Very low148 Ų148144.2 Ų144.269%0.69276%0.755SS**  cis-161.6137.2-14.6-117.5177.553.900111.3
825S26.8Very low28.4Very low114 Ų114144.3 Ų144.380%0.79776%0.76SS**  trans-167.895.7145.360.20000114.8
826K27.5Very low28.4Very low207 Ų207141.6 Ų141.690%0.976%0.758SS**  trans30.6125135.1-70.7178.7170179.60121.4
827G26.1Very low28.4Very low82 Ų82138.8 Ų138.885%0.84575%0.753SS**  trans178.964.3168.800000113.4
828D28.1Very low28.7Very low157 Ų157139.7 Ų139.784%0.8475%0.754SS**  trans-74.9157.3178.4-119.2-55.5000111.8
829S26.8Very low28.5Very low101 Ų101140.4 Ų140.471%0.70676%0.759SS**  cis-150.1175.710.5-64.70000112.7
830Q26.4Very low28.9Very low186 Ų186140.6 Ų140.687%0.86976%0.76SS**  trans-103.1151.3166.2-61.9176.3-22.900112.1
831E29.6Very low29.7Very low184 Ų184139.5 Ų139.586%0.8677%0.765SS**  trans-172.9162.6135.4-98.9-124.4105.500112.5
832P55.8Low30Very low98 Ų98137.9 Ų137.964%0.63676%0.764SS**  trans-131-163.2-167.636.7-15.1000115.8
833Q26.2Very low30.2Very low148 Ų148137.3 Ų137.369%0.69277%0.773SS**  trans79.1132.6167.8-38.3174.46.300119
834K26Very low30.5Very low188 Ų188137.4 Ų137.482%0.81777%0.771SS**  175.4176.8102.9-101.3157.3-170.7159.50115.2
835T24.1Very low31Very low121 Ų121136.3 Ų136.374%0.74278%0.776SS**  trans-101.3179.8-157.850.90000115.9
836S25.6Very low31.1Very low92 Ų92137.1 Ų137.164%0.64377%0.768SS**  trans78.195.1138.750.80000122
837T25.3Very low31.1Very low115 Ų115133.9 Ų133.971%0.70676%0.759SS**  53.6132.8120.749.80000124.4
838F33.8Very low31Very low192 Ų192138 Ų13884%0.84276%0.76SS**  trans72.7160.7146.5-71.3-47.9000117.9
839P38.6Very low31.1Very low120 Ų120138.8 Ų138.878%0.77976%0.759SS**  cis-128178.315.743.7-28.7000117.6
840D32.3Very low32.4Very low138 Ų138139.8 Ų139.874%0.73876%0.763SS**  trans-105.2148.2167.5-178.841.2000109.6
841P43.1Very low33.1Very low119 Ų119135.1 Ų135.177%0.77375%0.749SS**  trans-138135.1146.835.8-21.8000114.3
842A31Very low33Very low86 Ų86134.2 Ų134.271%0.71175%0.745SS**  trans-82.6159.6-177.300000115.1
843S28.6Very low31.6Very low128 Ų128136.6 Ų136.690%0.89575%0.752SS**  trans-154.7127.7154.9-64.50000111.4
844K34Very low31.8Very low161 Ų161136.8 Ų136.870%0.775%0.753SS**  trans-98.4154.1160.2-138.8-169.4-172.3-1670107.4E846K844-E846 IonicContact NZ-OE1 3.88Å; K844-E846 PolarHBondContact NZ-OE1 3.25Å
845P35.9Very low32.2Very low125 Ų125133.4 Ų133.481%0.81275%0.75SS**  -144.9-150.5101.239.5-22.8000113.1
846E27.4Very low32.3Very low132 Ų132134.6 Ų134.662%0.61775%0.749SS**  trans-153.2158.7-147.3-130163.5-148.700112.2K844K844-E846 IonicContact NZ-OE1 3.88Å; K844-E846 PolarHBondContact NZ-OE1 3.25Å
847I29.1Very low32.2Very low139 Ų139134.6 Ų134.671%0.71375%0.754SS**  trans70.1121.9157.2-55.9155.2000118.7
848L24.2Very low32.5Very low167 Ų167137.7 Ų137.787%0.87476%0.758SS**  -172.7163.1118.3-97.1173.2000111.3
849E28.6Very low32.5Very low175 Ų175133.8 Ų133.882%0.81875%0.752SS**  trans-109.5-156.5-162.2-48.3-178.6112.400114.4
850P55.4Low32.4Very low121 Ų121134.5 Ų134.579%0.78676%0.755SS**  trans-106.7-98.1-130.727.4-1.9000114.4
851P41.3Very low32.3Very low89 Ų89133.8 Ų133.858%0.57876%0.757SS**  cis-121.7-177.8-10.244.1-29.7000115.3
852Q26.1Very low31.7Very low165 Ų165137.5 Ų137.577%0.77176%0.761SS**  trans68.2151.6151.1-74.6153.5-15.200119.4
853D27.6Very low32.1Very low148 Ų148139.5 Ų139.579%0.79177%0.767SS**  cis-146.1165.66.2-113.4-29.6000113
854E30.4Very low32Very low152 Ų152144.8 Ų144.871%0.7177%0.767SS**  trans-128.2142173.4-125.4-87.1178.400109.2M856E854-M856 PolarHBondContact OE2-N 2.91Å
855P34.3Very low31.6Very low117 Ų117145.7 Ų145.776%0.7678%0.779SS**  trans-148.8107.8136.332.9-13.9000117
856M25.5Very low31.1Very low146 Ų146145.1 Ų145.172%0.71978%0.777SS**  26.7122.8127.7-65.7-169.4-73.100121.5E854 F858E854-M856 PolarHBondContact OE2-N 2.91Å; M856-F858 HydrophobicContact CG-CE2 4.34Å; M856-F858 HydrophobicContact SD-CE2 4.42Å
857A24.5Very low31.1Very low91 Ų91149 Ų14975%0.75279%0.787SS**  171.2122.8117.500000110.5
858F30.3Very low30.9Very low180 Ų180149.7 Ų149.779%0.78979%0.787SS**  66.9140.257.6-63.6-54.7000115M856M856-F858 HydrophobicContact CG-CE2 4.34Å; M856-F858 HydrophobicContact SD-CE2 4.42Å
859P33.9Very low30.9Very low110 Ų110147.1 Ų147.171%0.71478%0.778SS**  cis-141.2170.7-15.740.8-22.1000117.6
860V36.7Very low30.6Very low136 Ų136144.7 Ų144.782%0.82478%0.775SS**  trans11.6127.7143.5179.60000119.8
861P29.7Very low29.6Very low122 Ų122144.3 Ų144.379%0.79277%0.773SS**  -149.4162.5111.637.6-20.4000118.9
862K31.9Very low28.8Very low198 Ų198146.1 Ų146.186%0.86178%0.783SS**  trans-107.1172156.8-61.9176.2-179.21730107.4
863P38.3Very low28.8Very low127 Ų127143.6 Ų143.683%0.82578%0.783SS**  cis-145-154.218.144.9-22.5000116
864R26.4Very low28.9Very low240 Ų240144 Ų14491%0.90678%0.78SS**  trans-52.3155.6-179.2-63.8169.4167.2156.7-6.9117.8
865L26.1Very low29Very low180 Ų180142.6 Ų142.694%0.94278%0.784SS**  trans-145.6-172.6132.1-115.4171.8000110.8
866S25.4Very low28.7Very low112 Ų112141.2 Ų141.278%0.78378%0.778SS**  trans-166.4173.2-168.2-166.90000115.9
867R26.2Very low30.3Very low214 Ų214139.8 Ų139.881%0.80878%0.779SS**  trans104.1143.6149.6-129.5-170.5-179.9176.8-0.7120.4
868Q26.2Very low31.2Very low153 Ų153140.7 Ų140.772%0.71578%0.777SS**  trans74.2142.4159.9-63.5-177.7-22.100118.1
869T24.1Very low31.1Very low114 Ų114139 Ų13970%0.69978%0.781SS**  cis-162.2149.3-9.78.80000112.7
870T23.1Very low30.7Very low123 Ų123137.7 Ų137.776%0.75578%0.78SS**  trans22.3144.4146.550.50000122.1
871P33.7Very low30.4Very low114 Ų114140.9 Ų140.974%0.7478%0.783SS**  -146160.251.136.1-14.5000120.3
872T23.9Very low31.1Very low127 Ų127140.8 Ų140.878%0.77978%0.782SS**  trans37.6134.9131.3-33.40000119.3
873S26.9Very low30.9Very low111 Ų111142.8 Ų142.878%0.77678%0.784SS**  cis-152.5159.641.4-41.40000115
874E28.4Very low30.3Very low157 Ų157146 Ų14673%0.73479%0.785SS**  trans-88.4162.7156.2-140.1-168.2-9400109.8S876E874-S876 PolarHBondContact OE2-OG 3.1Å
875P34.3Very low30.2Very low122 Ų122140.3 Ų140.379%0.79278%0.777SS**  -145.8176.483.939.6-22.4000115.5
876S27.7Very low30.1Very low89 Ų89139 Ų13962%0.62277%0.769SS**  trans-97.6-155.6-172.9-57.20000114.1E874E874-S876 PolarHBondContact OE2-OG 3.1Å
877P59.1Low30.2Very low115 Ų115140.6 Ų140.675%0.74777%0.768SS**  trans-109.9-158.6-135.641.2-20000112.7
878P42.7Very low30.1Very low110 Ų110135.1 Ų135.171%0.71476%0.759SS**  -165.5-176.372.547.2-24.7000119.5
879V28.2Very low30.4Very low144 Ų144133.8 Ų133.887%0.87376%0.763SS**  trans70.6148.7151.3169.20000120.8
880A26.3Very low30.5Very low83 Ų83137.3 Ų137.369%0.68677%0.771SS**  trans-123.3167.2-179.600000113
881K28.7Very low30.9Very low204 Ų204137.6 Ų137.689%0.88777%0.773SS**  trans171.2151.3131.3-94.9162.5-173.8178.60113.7
882P45.2Very low31.4Very low119 Ų119137.6 Ų137.677%0.77377%0.773SS**  trans-100.9140.9177.336.6-32.3000114.5
883R27Very low31.6Very low241 Ų241140.9 Ų140.991%0.90978%0.777SS**  trans169.4128.8144-103.8179.2174.8-172.4-1.2114.4
884K27.5Very low32.8Very low195 Ų195140.8 Ų140.885%0.84877%0.774SS**  trans157.1117.8132.2-87.5177-179.9-174.50108.3
885V24.3Very low32.7Very low120 Ų120142.3 Ų142.373%0.72778%0.781SS**  88.4143.958.3173.20000112
886I24Very low32.3Very low153 Ų153141.3 Ų141.379%0.78578%0.783SS**  trans67.8151.9176.146.8179.5000118.1
887L26.1Very low32.5Very low144 Ų144141.6 Ų141.675%0.75479%0.791SS**  cis-145.1-176.114.2-128.5154000113.7
888T25.1Very low32.2Very low100 Ų100141.5 Ų141.561%0.61379%0.79SS**  trans-77.4165.1-173.550.80000116
889P31.3Very low31.5Very low125 Ų125144.8 Ų144.881%0.81280%0.796SS**  trans-77.4154.5159.634.6-35.2000112.7
890Q27.1Very low31.7Very low187 Ų187146.2 Ų146.287%0.87479%0.793SS**  trans-144151.2163.4-77.4-169.4-19.300109.9
891T31.3Very low31.9Very low129 Ų129147.6 Ų147.679%0.79179%0.793SS**  trans-110.6161.9175.449.10000111.5
892P44.3Very low32.1Very low115 Ų115141.8 Ų141.875%0.74778%0.778SS**  trans-143.4136.2132.133.1-16.8000116.1
893F27.7Very low31.4Very low196 Ų196145.8 Ų145.886%0.8678%0.784SS**  trans12.6165.7130.5-70-74.6000123
894P51.7Low31.5Very low109 Ų109139 Ų13971%0.70878%0.779SS**  cis-137-163.85.129.2-3.7000116.7
895E26.7Very low31.6Very low188 Ų188133.1 Ų133.188%0.87977%0.774SS**  trans85.5135.2167.7-58.8-167.6154.400117.8
896A27.1Very low32.5Very low102 Ų102132.9 Ų132.984%0.84378%0.775SS**  cis-153.6169.6-14.600000111
897A31.7Very low32.6Very low94 Ų94132.3 Ų132.378%0.77777%0.773SS**  trans-107.7-170.2-174.500000112.1
898P51.6Low32.7Very low114 Ų114134.7 Ų134.774%0.7478%0.778SS**  cis-110.1-145.130.220.55.3000112.3
899E29.1Very low32.8Very low178 Ų178134.5 Ų134.583%0.83278%0.781SS**  cis-141.3-118.312.4-66.8179.1149.700114.1
900E32.9Very low32.6Very low174 Ų174136.5 Ų136.581%0.81378%0.784SS**  trans-149165.6-149.1-74.8-155.7172.800113.6
901T29.6Very low32.6Very low112 Ų112136.9 Ų136.969%0.68778%0.782SS**  cis-167.7170.7-13.9350000107.2
902S32.2Very low33.6Very low82 Ų82135.9 Ų135.957%0.57378%0.778SS**  cis-171.5170-28.460.10000110
903K31.2Very low32.7Very low203 Ų203137.3 Ų137.388%0.88378%0.779SS**  trans75.5138.3171.6-51.5164-173.1174.40115.5
904A29.4Very low32.8Very low99 Ų99138.1 Ų138.182%0.81878%0.776SS**  cis-161.9173.4-13.300000107.4
905G29.1Very low31.7Very low71 Ų71141.3 Ų141.373%0.73278%0.779SS**  cis109.3140.16.100000112.6
906P43Very low31.7Very low115 Ų115139 Ų13975%0.74777%0.772SS**  cis-139.1172.18.343.7-25.9000118
907D27.4Very low31.7Very low141 Ų141143.2 Ų143.275%0.75477%0.774SS**  trans37.4139.5144.8-54.3-30000124
908F27.4Very low31.8Very low194 Ų194146.7 Ų146.785%0.85178%0.779SS**  cis91.4132.732.7-86.3-74.7000117.9
909S26.4Very low31Very low96 Ų96145.2 Ų145.267%0.67177%0.771SS**  trans100.1131.5135.2-950000124.2
910L27.2Very low31.2Very low168 Ų168143.5 Ų143.588%0.8877%0.766SS**  trans87.1154.9143.8-66165.8000122.4
911K28.3Very low31.3Very low194 Ų194142.5 Ų142.584%0.84376%0.761SS**  trans-122-172-178.3-42.7173.8173.4177.60108.4
912P50.9Low31.8Very low108 Ų108147 Ų14770%0.70178%0.775SS**  cis-136.5-173.8-21.923.71.5000114.4
913L25.4Very low32.2Very low145 Ų145153.3 Ų153.376%0.75979%0.786SS**  trans111.8129.5142.3-67.4-179.9000122.6
914R29.6Very low32Very low214 Ų214150 Ų15081%0.80878%0.778SS**  trans91.9110.4138.1-80.2171.9-179.7-1702.5123.6
915K30Very low32Very low176 Ų176153 Ų15377%0.76578%0.775SS**  82.1128.8121.9-85.6-170161.5-162.70123.6
916L26.9Very low32Very low139 Ų139158.2 Ų158.273%0.72879%0.785SS**  trans66.7124.6137.1-68.3170.1000121.4
917Q27.4Very low31.2Very low191 Ų191155.4 Ų155.489%0.89378%0.777SS**  -172.9178101.2-102.3175.5-88.800113.1
918L32.9Very low31.2Very low167 Ų167155.6 Ų155.687%0.87478%0.778SS**  trans-148.5138.4-179.6-83.7168.4000111.1
919S33.8Very low31.2Very low83 Ų83152.6 Ų152.658%0.5877%0.77SS**  trans-148.9152.3147.463.30000107E921S919-E921 VanDerWaalsContact CB-OE2 3.24Å; S919-E921 WeakPolarHBondContact CB-OE2 3.1Å; S919-E921 PolarHBondContact OG-OE2 3.02Å
920I34.8Very low31.3Very low142 Ų142155.2 Ų155.273%0.72877%0.772SS**  cis83.257.422.2-44.7168.4000114.1
921E34.1Very low31.3Very low153 Ų153151.9 Ų151.972%0.71576%0.763SS**  trans-130.8-45.6164.2-95.973.7-150.600112.8S919 R923S919-E921 VanDerWaalsContact CB-OE2 3.24Å; S919-E921 WeakPolarHBondContact CB-OE2 3.1Å; S919-E921 PolarHBondContact OG-OE2 3.02Å; E921-R923 VanDerWaalsContact C-N 3.3Å; E921-R923 PolarHBondContact O-N 3Å
922E41Very low31.1Very low207 Ų207151.2 Ų151.297%0.96776%0.76SS**SBendtrans-8459.2-176.3-61.3-174.7136.300113.6
923R39.2Very low29.9Very low213 Ų213150.9 Ų150.980%0.80476%0.761SS**  trans-136.926.3-176.2-150.6-139.4-171.694.55.3115.9E921E921-R923 VanDerWaalsContact C-N 3.3Å; E921-R923 PolarHBondContact O-N 3Å
924N28.2Very low30.2Very low135 Ų135147.8 Ų147.872%0.72276%0.756SS**  trans-175.4153.4163.7-92.6-0.6000105.9
925E29.1Very low30Very low161 Ų161144.6 Ų144.675%0.75276%0.755SS**  cis-159.1137.65.2-122.2160-118.200108.6
926L29.3Very low30.2Very low180 Ų180141.1 Ų141.194%0.94275%0.752SS**  trans165.8137150.3-95.2171000109.4
927G25.4Very low30.3Very low57 Ų57141.3 Ų141.359%0.58875%0.754SS**  cis149.695.8-11.100000114.4
928N27.3Very low30.8Very low145 Ų145137 Ų13778%0.77575%0.745SS**  trans76.8126.8161.6-66.3-14.4000119.2
929L28.6Very low30.8Very low130 Ų130136.6 Ų136.668%0.68174%0.739SS**  74.8144.882.4-58176.8000112.7
930Q27.7Very low31.1Very low152 Ų152137.2 Ų137.271%0.7174%0.739SS**  cis-166.3-1701.6-127.2164.5-15.800111.3
931S26.9Very low30.8Very low97 Ų97139.2 Ų139.268%0.67875%0.745SS**  trans110.899.8158.3-162.10000115.8
932F24.1Very low30.6Very low180 Ų180135.6 Ų135.679%0.78975%0.749SS**  76.7141.682.4-66.1-52000114.2
933S26.5Very low30Very low102 Ų102129.2 Ų129.271%0.71374%0.739SS**  cis-176.4164.3-4.647.40000112.7
934A31.1Very low29.7Very low79 Ų79124.6 Ų124.665%0.65374%0.74SS**  trans74.3149.8147.900000120.8
935D26.6Very low30Very low148 Ų148123 Ų12379%0.79174%0.739SS**  cis-166.7161.9-18.2-99.3-24.1000112
936S32.3Very low30.1Very low102 Ų102120.4 Ų120.471%0.71374%0.738SS**  trans58.9145.4153.6-75.80000121.1
937D30.1Very low30Very low144 Ų144118.1 Ų118.177%0.7774%0.736SS**  cis-167.4173.9-9.5-120.4-71.7000107.2
938S37.9Very low30.2Very low101 Ų101120.7 Ų120.771%0.70675%0.745SS**  cis-156.8-1625.747.30000106.6
939E33Very low30.2Very low158 Ų158119.7 Ų119.774%0.73875%0.75SS**  cis-148.5-115.16.4-155.5-123.146.500111.4
940T39.6Very low30.3Very low96 Ų96118.9 Ų118.959%0.58976%0.755SS**  trans-136.1169.1-166.776.40000115.1
941Q28.8Very low30.3Very low183 Ų183117.3 Ų117.386%0.85576%0.76SS**  cis-161.2159.417.6-142159.3117.400110.5
942G29.2Very low30.4Very low77 Ų77117 Ų11779%0.79476%0.764SS**  cis176.8-7.5-6.700000119.9
943G28.3Very low30.5Very low73 Ų73115.8 Ų115.875%0.75377%0.766SS**  trans169176.5179.400000115.4
944S34.1Very low30.5Very low117 Ų117116.1 Ų116.182%0.81877%0.774SS**  cis178.5172-2.9-94.30000108.2
945S33.4Very low30.3Very low101 Ų101116.4 Ų116.471%0.70679%0.785SS**  cis176.3159-15.555.60000108.2
946S32.2Very low30.2Very low106 Ų106113 Ų11374%0.74179%0.785SS**  cis-176.1166.8-18.5-82.50000111.1
947C26.3Very low31.3Very low132 Ų132114.2 Ų114.289%0.89279%0.791SS**  trans72.3176.2149.4860000124.5
948S29.8Very low32.3Very low112 Ų112113.3 Ų113.378%0.78379%0.792SS**  trans-130.1161.5-164.5-36.80000112.9
949S28.2Very low32Very low124 Ų124116.5 Ų116.587%0.86779%0.794SS**  trans-174.6175.5157.7-910000114.6
950S29.4Very low31.8Very low113 Ų113117.3 Ų117.379%0.7980%0.797SS**  trans-145.7155.2178.7-57.50000113.1
951S29Very low31.4Very low118 Ų118120.3 Ų120.383%0.82581%0.805SS**  trans114.8130.9152.6-480000120.2
952A29.4Very low31.4Very low91 Ų91114.5 Ų114.575%0.75279%0.794SS**  trans80.8137.2136.900000125
953N25.4Very low31.4Very low155 Ų155119.2 Ų119.283%0.82980%0.795SS**  trans70.8100.6143.5-69.23.6000124.9
954A27.3Very low31.2Very low108 Ų108123.8 Ų123.889%0.89380%0.797SS**  58.8123114.400000123.6
955G24.9Very low30.8Very low86 Ų86121.5 Ų121.589%0.88779%0.792SS**  trans-176.3138.4159.300000113.3
956G25.5Very low31Very low76 Ų76122.3 Ų122.378%0.78479%0.794SS**  trans-116.1-155.3174.500000112
957P55.5Low30.7Very low128 Ų128126.2 Ų126.283%0.83180%0.801SS**  cis-120.2-136.66.139.4-17.8000109.8
958P50.6Low30.6Very low124 Ų124128.8 Ų128.881%0.80580%0.8SS**  cis-127.5-110.5-6.738.4-15.1000115.7
959K31.1Very low30.4Very low169 Ų169132.5 Ų132.574%0.73581%0.805SS**  trans-163.7154.5-163-93.1-170.3168-164.60114.6
960Q29.3Very low30.2Very low174 Ų174130 Ų13081%0.81380%0.799SS**  -167.6121.9125.8-99.4174.1-16.400106.2
961E32.2Very low29.9Very low159 Ų159134 Ų13474%0.74380%0.798SS**  76.8134.770.8-71.9176.4-178.100114
962G28.1Very low29.5Very low61 Ų61138.5 Ų138.563%0.62980%0.797SS**  cis-138.1173.25.100000114.2
963Q30Very low29.4Very low177 Ų177139.6 Ų139.683%0.82780%0.799SS**  79.8134.296.6-94.2-174.5-75.500114.4
964E24Very low29.3Very low169 Ų169135.5 Ų135.579%0.7979%0.793SS**  cis-141.2169.411.3-57-167.1117.200113.7
965G26Very low29.1Very low68 Ų68135.9 Ų135.970%0.70179%0.79SS**  trans-102.2-163.2161.100000111.3
966P36.1Very low29.2Very low118 Ų118138.1 Ų138.177%0.76679%0.786SS**  cis-109171.518.44.521.4000113.6
967E26.2Very low29.1Very low188 Ų188138.3 Ų138.388%0.87978%0.78SS**  70.5116.259.7-50.7-171.1145.100117.2
968E24.7Very low27.7Very low186 Ų186137.4 Ų137.487%0.86978%0.777SS**  trans171.9121.4141.3-95.2-176.8179.400106.8
969E24.6Very low26.5Very low190 Ų190138.2 Ų138.289%0.88877%0.774SS**  79.5139.963.8-67.5-127.1138.900115.1
970G24.6Very low26.4Very low72 Ų72137.4 Ų137.474%0.74278%0.776SS**  trans126.972.6-178.600000115.6
971Y22.7Very low26.4Very low197 Ų197139.1 Ų139.177%0.77378%0.775SS**  71.795.875.6-106.7-99.9000118.9
972W21.6Very low26.4Very low212 Ų212135.8 Ų135.880%0.80376%0.76SS**  trans68.9144.1133.7-79.873000125.3
973S26.2Very low26.4Very low115 Ų115141.7 Ų141.780%0.80477%0.768SS**  trans82137.4156-51.90000119.6
974G23.9Very low26.4Very low68 Ų68140.3 Ų140.370%0.70176%0.759SS**  cis169.4174-7.800000115.4
975S24.1Very low26.6Very low117 Ų117138.8 Ų138.882%0.81876%0.756SS**  trans74.6137.4172.7-59.80000117.9
976T25.5Very low26.6Very low133 Ų133146 Ų14682%0.81676%0.762SS**  cis-155.5155.2-3.72.80000113.9
977A24.3Very low26.2Very low79 Ų79147.4 Ų147.465%0.65376%0.763SS**  trans-6151.716100000120.8
978S25.5Very low26.2Very low109 Ų109144.2 Ų144.276%0.76276%0.76SS**  cis-154133.237.2-64.10000111
979L25.9Very low26.3Very low142 Ų142144.9 Ų144.974%0.74376%0.76SS**  77.3127.670.1-79.6156.8000116.9
980I29Very low26.3Very low152 Ų152145.8 Ų145.878%0.77976%0.761SS**  trans79.4145.8146.3-75.6168.9000117.4
981R29.4Very low26.4Very low209 Ų209154 Ų15479%0.78977%0.77SS**  cis-127.2-94.718.5-162.4-177.4167.9105.515.2118.4
982E31.3Very low26.8Very low90 Ų90154 Ų15442%0.42177%0.774SS.*  trans-147.9156.1-157.7-84.1-174.498.300112.4K984E982-K984 WeakPolarHBondContact OE1-CE 3.02Å; E982-K984 IonicContact OE1-NZ 2.72Å; E982-K984 PolarHBondContact OE1-NZ 2.85Å
983K29.1Very low26.8Very low184 Ų184152.8 Ų152.880%0.878%0.777SS**  cis99.9153.716.8-164.6-177.1-168.6173.10114.7
984K30.2Very low26.9Very low149 Ų149155.4 Ų155.465%0.64878%0.778SS**  trans86.4147.2176.5-59.6161.5172.3154.80116E982E982-K984 WeakPolarHBondContact OE1-CE 3.02Å; E982-K984 IonicContact OE1-NZ 2.72Å; E982-K984 PolarHBondContact OE1-NZ 2.85Å
985N26.7Very low27.1Very low136 Ų136158 Ų15873%0.72778%0.783SS**  cis-156.4148.8-17.9-92.8-17000106.3
986R27.4Very low27Very low220 Ų220158.4 Ų158.483%0.8379%0.786SS**  cis91.2135.329.4-148.8-174-158.5-135.15.1114.9
987L28Very low27Very low148 Ų148155.3 Ų155.378%0.77578%0.781SS**  trans85148.8174.7-53.8173.2000115.9
988C24.7Very low27Very low120 Ų120161 Ų16181%0.81179%0.793SS**  cis-145.3171.514.2-143.30000115
989F27.1Very low27Very low200 Ų200162.5 Ų162.588%0.87779%0.793SS**  trans-90.8157.2177.9-97.8-97000113.6
990K25Very low26.9Very low210 Ų210167.4 Ų167.491%0.91380%0.802SS**  trans-161.3170.4139.7-113.3173.8-176.7-1750112.2
991R27.3Very low26.6Very low244 Ų244165.5 Ų165.592%0.92180%0.797SS**  trans-98.5148.4-165.5-80.6-176.9174.7171.4-2.3115.1
992K31.6Very low26.1Very low196 Ų196160.9 Ų160.985%0.85278%0.78SS**  trans-2.1125.9147.8-171-178.5-173.3-178.20118.1
993E20.7Very low25.8Very low188 Ų188161.7 Ų161.788%0.87980%0.795SS**  trans-152.5153.3146.9-137.3160.7-139.300108.5
994M28.8Very low25.5Very low169 Ų169159.2 Ų159.283%0.83378%0.784SS**  trans-101.4151.4173.9-78-69.3-153.800109.5
995P26.8Very low25.3Very low122 Ų122155 Ų15579%0.79277%0.766SS**  -135.9165.8119.431.6-17.3000114.3
996S23.2Very low25.7Very low127 Ų127148.9 Ų148.989%0.88873%0.734SS**  trans-72.7166-175.545.80000115.1
997G24.4Very low26.3Very low68 Ų68139 Ų13970%0.70170%0.699SS**  trans120.282.5146.900000117.6
998Q25Very low26.6Very low197 Ų197132.3 Ų132.392%0.92166%0.663SS**  170.9127.9106.8-91.9179.4-16.800111.8
999N24.6Very low26.8Very low142 Ų142127.6 Ų127.676%0.75963%0.629SS**  trans-91.4138.7174-79.7-23.7000111.5V1001N999-V1001 HydrophobicContact CB-CG2 4.45Å
1000R23.8Very low26.9Very low244 Ų244118.6 Ų118.692%0.92159%0.591SS**  trans-176.482.6145.8-103.3164.7-177.1-157.8-2107.6
1001V23.3Very low27Very low113 Ų113110.4 Ų110.469%0.68556%0.559SS**  54119.280-173.10000111N999N999-V1001 HydrophobicContact CB-CG2 4.45Å
1002R20Very low27Very low112 Ų112101 Ų10142%0.42353%0.532SS..  trans-121.397-172.4-179.9-171.9-126.61661108.2Q252 P254Q252-R1002 VanDerWaalsContact O-CZ 3.25Å; Q252-R1002 PolarHBondContact O-NH1 3.27Å; Q252-R1002 PolarHBondContact O-NH2 3.44Å; P254-R1002 VanDerWaalsContact CD-CZ 3.41Å; P254-R1002 VanDerWaalsContact CD-NH2 3.34Å
1003S23.8Very low26.7Very low106 Ų10694.6 Ų94.674%0.74151%0.51SS*.  trans-66.7169.3177-168.20000112.3
1004K23.7Very low27Very low133 Ų13392.6 Ų92.658%0.57849%0.494SS*.  trans-137.7139.9-169.5-75.7-178.2-177.7178.90111
1005F26Very low26.7Very low61 Ų6192 Ų9227%0.26849%0.492SS..  31.6111.9110.9-70.6-87.6000115.2I256 V259I256-F1005 HydrophobicContact CB-CE1 3.67Å; I256-F1005 HydrophobicContact CB-CZ 3.5Å; I256-F1005 VanDerWaalsContact CB-CZ 3.5Å; I256-F1005 HydrophobicContact CD1-CZ 3.92Å; I256-F1005 HydrophobicContact CG1-CE1 4.04Å; I256-F1005 HydrophobicContact CG1-CE2 3.96Å; I256-F1005 HydrophobicContact CG1-CZ 3.31Å; I256-F1005 HydrophobicContact CG2-CE1 3.48Å; I256-F1005 VanDerWaalsContact CG2-CE1 3.48Å; I256-F1005 HydrophobicContact CG2-CZ 3.48Å; I256-F1005 VanDerWaalsContact CG2-CZ 3.48Å; V259-F1005 HydrophobicContact CG2-CD1 3.96Å; V259-F1005 HydrophobicContact CG2-CE1 3.12Å; V259-F1005 HydrophobicContact CG2-CZ 3.39Å
1006S35Very low26.6Very low7 Ų791.8 Ų91.85%0.04949%0.494CS..  cis54.6142.340.7-11.40000111.5V259 N264V259-S1006 WeakPolarHBondContact CG1-OG 3.29Å; N264-S1006 WeakPolarHBondContact CB-OG 3.45Å; N264-S1006 PolarHBondContact ND2-OG 2.89Å
1007P39.1Very low26.8Very low13 Ų1394.5 Ų94.58%0.08449%0.485CS..  cis-157-162.148.132.8-2.9000115.3G258 Y263 F1098G258-P1007 WeakPolarHBondContact O-CB 3.11Å; G258-P1007 WeakPolarHBondContact O-CG 3.48Å; Y263-P1007 VanDerWaalsContact CG-C 3.49Å; P1007-F1098 HydrophobicContact CB-CD2 3.82Å; P1007-F1098 HydrophobicContact CB-CE2 4.08Å; P1007-F1098 HydrophobicContact CG-CD2 3.35Å; P1007-F1098 HydrophobicContact CG-CE2 3.69Å; P1007-F1098 HydrophobicContact CG-CG 4.46Å
1008W33.8Very low26.8Very low7 Ų798.9 Ų98.93%0.02749%0.492CS..  cis-169.9169.1-0.1-14593.4000111.8A260 Y263 N281 F397 P399 L400 F1098 A1101 Q1102A260-W1008 HydrophobicContact CB-CB 4.09Å; A260-W1008 HydrophobicContact CB-CD2 3.9Å; A260-W1008 HydrophobicContact CB-CG 3.6Å; Y263-W1008 WeakPolarHBondContact CE2-O 3.5Å; N281-W1008 HydrophobicContact CB-CZ2 3.55Å; N281-W1008 VanDerWaalsContact CG-CZ2 3.41Å; N281-W1008 VanDerWaalsContact CG-NE1 3.31Å; N281-W1008 PolarHBondContact OD1-NE1 2.9Å; F397-W1008 AromaticContact CE1-CH2 3.59Å; F397-W1008 HydrophobicContact CE1-CH2 3.59Å; F397-W1008 AromaticContact CE1-CZ3 3.95Å; F397-W1008 HydrophobicContact CE1-CZ3 3.95Å; F397-W1008 AromaticContact CZ-CH2 3.92Å; F397-W1008 HydrophobicContact CZ-CH2 3.92Å; P399-W1008 HydrophobicContact CB-CH2 3.61Å; P399-W1008 HydrophobicContact CB-CZ2 3.37Å; P399-W1008 HydrophobicContact CG-CH2 4.35Å; P399-W1008 HydrophobicContact CG-CZ2 4.26Å; L400-W1008 HydrophobicContact CD2-CE3 3.8Å; L400-W1008 HydrophobicContact CD2-CH2 4.28Å; L400-W1008 HydrophobicContact CD2-CZ3 3.48Å; L400-W1008 VanDerWaalsContact CD2-CZ3 3.48Å; L400-W1008 HydrophobicContact CG-CZ3 4.47Å; W1008-F1098 HydrophobicContact CB-CD2 3.31Å; W1008-F1098 HydrophobicContact CB-CE2 3.13Å; W1008-F1098 HydrophobicContact CB-CG 4.34Å; W1008-F1098 HydrophobicContact CB-CZ 3.96Å; W1008-F1098 AromaticContact CD1-CE2 3.99Å; W1008-F1098 HydrophobicContact CG-CD2 4.33Å; W1008-F1098 AromaticContact CG-CE2 3.69Å; W1008-F1098 HydrophobicContact CG-CE2 3.69Å; W1008-F1098 HydrophobicContact CG-CZ 4.32Å; W1008-A1101 WeakPolarHBondContact O-CB 3.45Å; W1008-Q1102 HydrophobicContact CB-CG 4.17Å; W1008-Q1102 HydrophobicContact CE3-CG 4.34Å; W1008-Q1102 WeakPolarHBondContact O-CG 3.48Å; W1008-Q1102 PolarHBondContact O-N 3.16Å
1009N29.3Very low26.7Very low20 Ų2093.3 Ų93.311%0.10747%0.474CS..  trans-145135.7173.7-79.2-14.7000113.4I262 Y263 A1101 Q1105I262-N1009 HydrophobicContact CD1-CB 3.92Å; Y263-N1009 HydrophobicContact CE2-CB 4.41Å; Y263-N1009 WeakPolarHBondContact CE2-ND2 3.37Å; Y263-N1009 WeakPolarHBondContact CE2-OD1 3.45Å; Y263-N1009 PolarHBondContact OH-ND2 3.12Å; Y263-N1009 PolarHBondContact OH-OD1 3.02Å; N1009-A1101 PolarHBondContact OD1-O 3.42Å; N1009-Q1105 HydrophobicContact CB-CB 4.29Å; N1009-Q1105 VanDerWaalsContact ND2-CB 3.27Å; N1009-Q1105 WeakPolarHBondContact ND2-CB 3.09Å; N1009-Q1105 PolarHBondContact ND2-OE1 3.17Å
1010L30.1Very low26.8Very low12 Ų1298.2 Ų98.26%0.06348%0.482CS..  cis-166.8-174.14.7-139.1112.4000115.6L400 A1101 Q1102 Q1105 R1106L400-L1010 WeakPolarHBondContact CD1-O 3.43Å; L1010-A1101 WeakPolarHBondContact CD1-O 3.33Å; L1010-Q1102 VanDerWaalsContact CD2-O 3.28Å; L1010-Q1102 WeakPolarHBondContact CD2-O 3.37Å; L1010-Q1102 HydrophobicContact CG-CB 4.36Å; L1010-Q1102 VanDerWaalsContact CG-O 3.26Å; L1010-Q1102 WeakPolarHBondContact CG-O 3.28Å; L1010-Q1105 HydrophobicContact CD1-CB 3.71Å; L1010-R1106 HydrophobicContact CB-CB 3.73Å; L1010-R1106 VanDerWaalsContact CD1-N 3.31Å; L1010-R1106 HydrophobicContact CD2-CB 3.64Å; L1010-R1106 VanDerWaalsContact CD2-N 3.29Å; L1010-R1106 HydrophobicContact CG-CB 4.07Å
1011S27.6Very low26.8Very low37 Ų3794.5 Ų94.526%0.25948%0.48SS..  146.1124.2110.479.30000121.7R1106S1011-R1106 VanDerWaalsContact CB-CD 3.45Å; S1011-R1106 VanDerWaalsContact CB-CG 3.49Å; S1011-R1106 PolarHBondContact OG-NH1 2.84Å
1012S25.7Very low26.9Very low48 Ų4896 Ų9634%0.33649%0.489SS..  trans-170.3159152.1-86.30000118S442S442-S1012 PolarHBondContact O-OG 3.25Å
1013P26.6Very low27Very low60 Ų6096.4 Ų96.439%0.3950%0.504SS..  trans-97.3169.2-175.66.213.4000117.6Q443 E1110Q443-P1013 PolarHBondContact NE2-O 3.23Å; P1013-E1110 WeakPolarHBondContact CA-OE1 3.41Å; P1013-E1110 WeakPolarHBondContact CA-OE2 3.46Å; P1013-E1110 WeakPolarHBondContact CB-OE1 3.48Å; P1013-E1110 WeakPolarHBondContact CG-OE1 3.36Å
1014R26.3Very low27Very low147 Ų147100.1 Ų100.156%0.55551%0.509SS*.  trans-90.3154.7-174.3-63.7-179.2172156.35.6117.3R1107 E1158R1014-R1107 VanDerWaalsContact CZ-NE 3.28Å; R1014-E1158 IonicContact CZ-OE1 3.73Å; R1014-E1158 IonicContact CZ-OE2 2.7Å; R1014-E1158 IonicContact NH1-OE1 3.33Å; R1014-E1158 PolarHBondContact NH1-OE1 3.11Å; R1014-E1158 IonicContact NH1-OE2 2.77Å; R1014-E1158 PolarHBondContact NH1-OE2 2.82Å; R1014-E1158 IonicContact NH2-OE1 3.07Å; R1014-E1158 PolarHBondContact NH2-OE1 2.92Å; R1014-E1158 IonicContact NH2-OE2 3.26Å
1015I23.6Very low27.2Very low155 Ų15599.5 Ų99.580%0.79552%0.519SS*.  trans-130.2154.1142.6-82.5-175.6000108.6
1016S24.4Very low27Very low119 Ų119100 Ų10083%0.83254%0.541SS*.  trans-46.2145-174.3-172.20000115.9
1017R26.6Very low26.5Very low184 Ų184109.6 Ų109.669%0.69458%0.576SS**  trans-139.483.3-175.3-177.6178.1176.6163.4-4.6110.7
1018D23.7Very low25.7Very low160 Ų160115.7 Ų115.786%0.85661%0.613SS**  trans-75.6130.3170.1-151.2-14.5000109.5
1019C24.7Very low25.2Very low80 Ų80120.4 Ų120.454%0.54164%0.635SS.*  trans-146.3115.2-171.9-83.70000111.6
1020R26Very low24.9Very low245 Ų245126.6 Ų126.693%0.92567%0.674SS**  trans-136.8115154.6-72.6-164.3174.5-153.3-4.5110.4
1021L23.7Very low24.5Very low166 Ų166130.8 Ų130.887%0.86970%0.7SS**  trans-86.3143.5161.3-75.9164.4000108.7
1022T24.9Very low24.2Very low144 Ų144137 Ų13788%0.88372%0.722SS**  trans-138.5122155.832.70000108.5
1023V22.8Very low24.1Very low121 Ų121141.8 Ų141.873%0.73374%0.739SS**  trans-95.6144.5172.3174.50000107.9
1024H23.2Very low24Very low184 Ų184145.8 Ų145.885%0.85275%0.752SS**  trans-177.6164.4149.6-97-44.2000111.3
1025P28.4Very low23.8Very low120 Ų120145.4 Ų145.478%0.77977%0.766SS**  -129.7-169.8-121.845.9-33.6000116.8
1026G21.5Very low23.8Very low71 Ų71145.2 Ų145.273%0.73276%0.762SS**  trans111113.1172.900000111.5
1027R23.3Very low23.7Very low209 Ų209144.7 Ų144.779%0.78976%0.758SS**  73.9105.450.1-169.4-171.5178.8-176.92.9114.1E1029R1027-E1029 IonicContact CZ-OE1 3.55Å; R1027-E1029 IonicContact NE-OE1 3.61Å; R1027-E1029 PolarHBondContact NE-OE1 2.86Å; R1027-E1029 IonicContact NE-OE2 3.23Å; R1027-E1029 IonicContact NH2-OE1 2.75Å; R1027-E1029 PolarHBondContact NH2-OE1 2.76Å
1028V24.3Very low23.6Very low140 Ų140141.2 Ų141.285%0.84876%0.758SS**  trans-144.5133.9144.2-175.10000106.9
1029E21.9Very low23.7Very low106 Ų106141.3 Ų141.350%0.49576%0.758SS.*  trans-77.1164.1174.3-64.786.6174.800113.4R1027R1027-E1029 IonicContact CZ-OE1 3.55Å; R1027-E1029 IonicContact NE-OE1 3.61Å; R1027-E1029 PolarHBondContact NE-OE1 2.86Å; R1027-E1029 IonicContact NE-OE2 3.23Å; R1027-E1029 IonicContact NH2-OE1 2.75Å; R1027-E1029 PolarHBondContact NH2-OE1 2.76Å
1030T23.8Very low23.7Very low151 Ų151141.1 Ų141.193%0.92677%0.769SS**  trans-153147.1133.6-8.30000110.4
1031T21.7Very low23.8Very low99 Ų99136.3 Ų136.361%0.60777%0.767SS**  trans-129.4155.9-163-41.30000111.4
1032F21.4Very low24Very low167 Ų167137 Ų13773%0.73277%0.766SS**  trans110.8130150.3-67.1-63.6000121.7
1033H22.6Very low24.1Very low150 Ų150138.2 Ų138.269%0.69477%0.767SS**  trans57.391.9141-62-48.8000122.5
1034H24.2Very low24.7Very low143 Ų143141.6 Ų141.666%0.66278%0.775SS**  41.611895.1-16217.2000119.2H1036H1034-H1036 AromaticContact CE1-CD2 3.42Å; H1034-H1036 PolarHBondContact CE1-CD2 2.93Å; H1034-H1036 VanDerWaalsContact CE1-CD2 3.42Å; H1034-H1036 AromaticContact CE1-NE2 3.41Å; H1034-H1036 PolarHBondContact CE1-NE2 3.34Å; H1034-H1036 AromaticContact NE2-NE2 3.97Å
1035V22.8Very low25Very low139 Ų139140.6 Ų140.684%0.84278%0.776SS**  trans-139.9149.9156.8-179.80000108.5
1036H23.7Very low25.4Very low151 Ų151142.7 Ų142.770%0.69978%0.78SS**  trans-111.1152.2178.3-93.4-69.2000112.7H1034H1034-H1036 AromaticContact CE1-CD2 3.42Å; H1034-H1036 PolarHBondContact CE1-CD2 2.93Å; H1034-H1036 VanDerWaalsContact CE1-CD2 3.42Å; H1034-H1036 AromaticContact CE1-NE2 3.41Å; H1034-H1036 PolarHBondContact CE1-NE2 3.34Å; H1034-H1036 AromaticContact NE2-NE2 3.97Å
1037S23Very low26Very low108 Ų108146.7 Ų146.776%0.75579%0.785SS**  trans-164.8107.1150-67.20000105.7
1038T23.6Very low26.7Very low112 Ų112144.7 Ų144.769%0.68779%0.79SS**  83.7141.968.758.70000114.3
1039D25.4Very low27.4Very low162 Ų162145.4 Ų145.487%0.86679%0.789SS**  trans69.1126.3175.5-45.2-22.6000116.7
1040G24.3Very low28.2Very low75 Ų75146.6 Ų146.677%0.77380%0.798SS**  cis139.9102.8-12.100000114.2
1041V28.5Very low28.7Very low145 Ų145147 Ų14788%0.87980%0.795SS**  trans-147.7144.2159.1-170.20000107.9
1042E27.6Very low29.5Very low181 Ų181148.6 Ų148.685%0.84680%0.8SS**  trans-96.7144.1177.5-61.4156156.400110.3
1043D27Very low30.3Very low168 Ų168145.5 Ų145.590%0.89879%0.791SS**  trans-153.3129.4154.7-96.4-41000107.1
1044E35.4Very low31Very low193 Ų193148 Ų14890%0.90280%0.796SS**  trans-100127-179.8-62.8177.8139.300110
1045D30.7Very low31.6Very low163 Ų163146.8 Ų146.887%0.87279%0.792SS**  trans-142.9109.4166.9-100.1-35.1000108.6
1046D37.4Very low32.4Very low163 Ų163145.8 Ų145.887%0.87278%0.776SS**  trans-77.4113.4172.3-85.2-34.9000110.2
1047D33.4Very low33.2Very low156 Ų156143.5 Ų143.583%0.83477%0.769SS**  trans-135.469.1173.8-121.5-13.7000110.1D1049D1047-D1049 VanDerWaalsContact C-N 3.28Å; D1047-D1049 PolarHBondContact O-N 2.71Å
1048D36.9Very low33.9Very low167 Ų167146.7 Ų146.789%0.89377%0.772SS**THydrogen-bonded Turntrans-7945.4-164.1-154.822.8000114.4
1049D39.7Very low34.8Very low154 Ų154145.3 Ų145.382%0.82476%0.758SS**THydrogen-bonded Turntrans-142.76.2-164-136.80.2000117.4D1047D1047-D1049 VanDerWaalsContact C-N 3.28Å; D1047-D1049 PolarHBondContact O-N 2.71Å
1050D38.3Very low35.5Very low131 Ų131146.1 Ų146.170%0.70176%0.756SS**  trans-116.226.1-176.7-117.1-20.7000115D1052D1050-D1052 PolarHBondContact O-N 2.69Å
1051D35.3Very low36.2Very low160 Ų160150.1 Ų150.186%0.85676%0.76SS**THydrogen-bonded Turntrans-70.333.9-174.9-165.741.7000115.9
1052D39.3Very low36.9Very low133 Ų133148.3 Ų148.371%0.71175%0.745SS**THydrogen-bonded Turntrans-136.1-4.8-175-124.16.5000114.1D1050D1050-D1052 PolarHBondContact O-N 2.69Å
1053D37.8Very low37.6Very low101 Ų101145.2 Ų145.254%0.5473%0.729SS.*SBendtrans-89.81-170.2-145.736.3000115.5K66K66-D1053 IonicContact NZ-OD1 3.53Å; K66-D1053 PolarHBondContact NZ-OD1 2.96Å; K66-D1053 IonicContact NZ-OD2 2.75Å; K66-D1053 PolarHBondContact NZ-OD2 2.98Å
1054Y37.3Very low38.3Very low203 Ų203143.8 Ų143.880%0.79672%0.721SS**SBendtrans-12855.2179.4-77.5-80.5000114.4
1055M37.2Very low38.6Very low117 Ų117140.6 Ų140.658%0.57671%0.708SS**  trans-136.475178.3-81.7-78.3169.900112.7Q1059M1055-Q1059 PolarHBondContact SD-NE2 3.19Å
1056F39Very low39.1Very low118 Ų118142.1 Ų142.152%0.51871%0.707SS.*SBendtrans-142.4-47.5169.9-154.7-99.7000114.8Y453Y453-F1056 HydrophobicContact CD2-CE1 4.25Å
1057D39.1Very low39.9Very low104 Ų104141.4 Ų141.456%0.55670%0.698SS**SBendtrans-95.3-12.3-170.4-71.5-17.2000115S454S454-D1057 WeakPolarHBondContact CB-OD2 3.21Å; S454-D1057 PolarHBondContact OG-OD2 2.93Å
1058E37.7Very low40.5Very low175 Ų175142.8 Ų142.882%0.81870%0.7SS**SBendtrans-98.74.1-179.1-65.1-168.2152.400114.9E1060E1058-E1060 PolarHBondContact O-N 2.92Å
1059Q43.5Very low41.4Very low82 Ų82137.4 Ų137.438%0.38367%0.674SS.*  trans-88.79.8-167.7-156.3115.9109.400115.4M1055M1055-Q1059 PolarHBondContact SD-NE2 3.19Å
1060E39.6Very low42Very low179 Ų179136.2 Ų136.284%0.83668%0.678SS**SBendtrans-86.6-37178.6-61.5-158.4129.400113.1E1058E1058-E1060 PolarHBondContact O-N 2.92Å
1061D39.7Very low43.7Very low159 Ų159132.6 Ų132.685%0.8566%0.658SS**SBendtrans-92.1-10.2-173.9-72.5-38.7000115.2F1063D1061-F1063 PolarHBondContact O-N 2.89Å
1062L42.5Very low44.9Very low108 Ų108129.3 Ų129.357%0.56565%0.645SS**THydrogen-bonded Turntrans-7726.8-173.5-147.286000115
1063F43Very low46.1Very low115 Ų115128 Ų12850%0.50464%0.642SS.*THydrogen-bonded Turntrans-102.9-8.5-174.1-101.3-86.7000115.7D1061D1061-F1063 PolarHBondContact O-N 2.89Å
1064D41.2Very low47Very low138 Ų138128.9 Ų128.974%0.73864%0.643SS**  trans-114.111.6-177.8-157.824.3000114.7K1066D1064-K1066 PolarHBondContact O-N 3.42Å
1065M42.2Very low48.2Very low126 Ų126120.8 Ų120.862%0.62162%0.618SS**  trans-80.8104.3171.9-84.1-147.37000112.2Q1067M1065-Q1067 VanDerWaalsContact C-N 3.25Å; M1065-Q1067 HydrophobicContact CE-CG 4.01Å; M1065-Q1067 PolarHBondContact O-N 3.3Å
1066K42Very low49.5Very low195 Ų195122 Ų12285%0.84862%0.62SS**  trans-75.566.3171.9-62.9176.9-175.7170.80112.4D1064D1064-K1066 PolarHBondContact O-N 3.42Å
1067Q53.3Low50.7Low148 Ų148123 Ų12369%0.69263%0.625SS**  trans-125.7114.9168.7-74.3-173.6-10.200110.4M1065M1065-Q1067 VanDerWaalsContact C-N 3.25Å; M1065-Q1067 HydrophobicContact CE-CG 4.01Å; M1065-Q1067 PolarHBondContact O-N 3.3Å
1068E46.6Very low51.8Low186 Ų186123.4 Ų123.487%0.86962%0.622SS**  trans-83129.4172.4-64.4-166.6135.600110.1S1070E1068-S1070 PolarHBondContact O-N 2.88Å
1069P55.1Low53Low54 Ų54120.4 Ų120.435%0.35161%0.608SS.*  trans-67.4122.6176.2-21.133.2000111.9D1071 Q1074 A1075P1069-D1071 PolarHBondContact O-N 3.34Å; P1069-D1071 VanDerWaalsContact O-N 3.13Å; P1069-Q1074 HydrophobicContact CB-CB 4.38Å; P1069-A1075 HydrophobicContact CB-CB 4.49Å
1070S53.1Low54Low129 Ų129120.8 Ų120.890%0.90261%0.611SS**SBendtrans-65-14.5-178.4-44.70000115E1068E1068-S1070 PolarHBondContact O-N 2.88Å
1071D72.8Confident54.9Low55 Ų55117.4 Ų117.429%0.29459%0.594SS.*SBendtrans-100.1121178.516621.6000111.1P1069 V1073 Q1074 A1075P1069-D1071 PolarHBondContact O-N 3.34Å; P1069-D1071 VanDerWaalsContact O-N 3.13Å; D1071-V1073 PolarHBondContact O-N 3.3Å; D1071-V1073 VanDerWaalsContact O-N 3.16Å; D1071-V1073 WeakPolarHBondContact OD1-CB 3.28Å; D1071-V1073 PolarHBondContact OD1-N 2.83Å; D1071-Q1074 HydrophobicContact CB-CB 4.13Å; D1071-Q1074 HydrophobicContact CB-CG 4.38Å; D1071-Q1074 PolarHBondContact O-N 3.28Å; D1071-Q1074 VanDerWaalsContact OD2-CG 3.22Å; D1071-Q1074 WeakPolarHBondContact OD2-CG 3.41Å; D1071-Q1074 PolarHBondContact OD2-N 2.89Å; D1071-Q1074 PolarHBondContact OD2-NE2 3.27Å; D1071-A1075 WeakPolarHBondContact O-CB 3.3Å; D1071-A1075 PolarHBondContact O-N 2.88Å
1072P62.3Low55.7Low90 Ų90117 Ų11758%0.58458%0.581SS**Hα-helixtrans-65.7-13.5179.528.4-36.5000114.9K1076P1072-K1076 WeakPolarHBondContact O-CD 3.18Å; P1072-K1076 WeakPolarHBondContact O-CG 3.32Å
1073V64.3Low56.6Low106 Ų106117.2 Ų117.264%0.64258%0.58SS**Hα-helixtrans-81.1-48171.5-176.50000110.3D1071 K1076 K1077D1071-V1073 PolarHBondContact O-N 3.3Å; D1071-V1073 VanDerWaalsContact O-N 3.16Å; D1071-V1073 WeakPolarHBondContact OD1-CB 3.28Å; D1071-V1073 PolarHBondContact OD1-N 2.83Å; V1073-K1076 PolarHBondContact O-N 3.33Å; V1073-K1077 PolarHBondContact O-N 2.7Å
1074Q56.4Low57.3Low119 Ų119116.9 Ų116.956%0.55658%0.579SS**Hα-helixtrans-63.5-40.6173.9-76.2170.472.300112.4P1069 D1071 K1076 K1077 F1078P1069-Q1074 HydrophobicContact CB-CB 4.38Å; D1071-Q1074 HydrophobicContact CB-CB 4.13Å; D1071-Q1074 HydrophobicContact CB-CG 4.38Å; D1071-Q1074 PolarHBondContact O-N 3.28Å; D1071-Q1074 VanDerWaalsContact OD2-CG 3.22Å; D1071-Q1074 WeakPolarHBondContact OD2-CG 3.41Å; D1071-Q1074 PolarHBondContact OD2-N 2.89Å; D1071-Q1074 PolarHBondContact OD2-NE2 3.27Å; Q1074-K1076 VanDerWaalsContact C-N 3.3Å; Q1074-K1076 PolarHBondContact O-N 2.94Å; Q1074-K1077 WeakPolarHBondContact O-CB 3.33Å; Q1074-K1077 PolarHBondContact O-N 2.76Å; Q1074-K1077 VanDerWaalsContact O-N 3.09Å; Q1074-F1078 WeakPolarHBondContact O-CB 3.4Å; Q1074-F1078 PolarHBondContact O-N 2.77Å
1075A62.3Low58Low34 Ų34112.3 Ų112.328%0.28156%0.556SS.*Hα-helixtrans-54.7-45173.300000111.6P1069 D1071 F1078 E1079P1069-A1075 HydrophobicContact CB-CB 4.49Å; D1071-A1075 WeakPolarHBondContact O-CB 3.3Å; D1071-A1075 PolarHBondContact O-N 2.88Å; A1075-F1078 PolarHBondContact O-N 3.17Å; A1075-E1079 VanDerWaalsContact O-CB 3.24Å; A1075-E1079 WeakPolarHBondContact O-CB 3.41Å; A1075-E1079 PolarHBondContact O-N 3.26Å
1076K64.4Low58.6Low141 Ų141110.3 Ų110.361%0.61355%0.547SS*.Hα-helixtrans-68.1-36.1175-73.2173.2-177.51740113.5P1072 V1073 Q1074 F1078 L1080P1072-K1076 WeakPolarHBondContact O-CD 3.18Å; P1072-K1076 WeakPolarHBondContact O-CG 3.32Å; V1073-K1076 PolarHBondContact O-N 3.33Å; Q1074-K1076 VanDerWaalsContact C-N 3.3Å; Q1074-K1076 PolarHBondContact O-N 2.94Å; K1076-F1078 VanDerWaalsContact C-N 3.33Å; K1076-L1080 WeakPolarHBondContact O-CB 3.28Å; K1076-L1080 PolarHBondContact O-N 2.89Å
1077K64.4Low59.4Low141 Ų141107 Ų10761%0.61354%0.535SS*.Hα-helixtrans-63.2-41.2173.6-168.1-177.7-178.9-173.10110.4V1073 Q1074 K1081V1073-K1077 PolarHBondContact O-N 2.7Å; Q1074-K1077 WeakPolarHBondContact O-CB 3.33Å; Q1074-K1077 PolarHBondContact O-N 2.76Å; Q1074-K1077 VanDerWaalsContact O-N 3.09Å; K1077-K1081 PolarHBondContact O-N 3.47Å
1078F61.4Low59.4Low112 Ų112106 Ų10649%0.49152%0.524SS..Hα-helixtrans-71.3-46.9178-170.9-97.4000112.3Q1074 A1075 K1076 L1080 K1081 R1082Q1074-F1078 WeakPolarHBondContact O-CB 3.4Å; Q1074-F1078 PolarHBondContact O-N 2.77Å; A1075-F1078 PolarHBondContact O-N 3.17Å; K1076-F1078 VanDerWaalsContact C-N 3.33Å; F1078-L1080 VanDerWaalsContact C-N 3.32Å; F1078-L1080 PolarHBondContact O-N 3.37Å; F1078-K1081 CarbonylContact O-C 3.59Å; F1078-K1081 WeakPolarHBondContact O-CB 3.42Å; F1078-K1081 PolarHBondContact O-N 3.13Å; F1078-K1081 VanDerWaalsContact O-N 3.11Å; F1078-R1082 WeakPolarHBondContact O-CB 3.33Å; F1078-R1082 PolarHBondContact O-N 3.42Å
1079E62.2Low59.9Low112 Ų112105.8 Ų105.852%0.52352%0.516SS..Hα-helixtrans-57.7-42.6174.3-176.5179.1-137.700111.6A1075 R1082 M1083A1075-E1079 VanDerWaalsContact O-CB 3.24Å; A1075-E1079 WeakPolarHBondContact O-CB 3.41Å; A1075-E1079 PolarHBondContact O-N 3.26Å; E1079-R1082 PolarHBondContact O-N 2.83Å; E1079-M1083 HydrophobicContact CG-CE 4.36Å; E1079-M1083 WeakPolarHBondContact O-CB 3.34Å; E1079-M1083 PolarHBondContact O-N 2.9Å
1080L65.1Low60.1Low89 Ų89105.9 Ų105.947%0.46652%0.521SS..Hα-helixtrans-68.2-35.4174.7-17562.9000112.9K1076 F1078 K1084K1076-L1080 WeakPolarHBondContact O-CB 3.28Å; K1076-L1080 PolarHBondContact O-N 2.89Å; F1078-L1080 VanDerWaalsContact C-N 3.32Å; F1078-L1080 PolarHBondContact O-N 3.37Å; L1080-K1084 HydrophobicContact CG-CD 4.35Å; L1080-K1084 WeakPolarHBondContact O-CB 3.39Å; L1080-K1084 WeakPolarHBondContact O-CD 3.35Å; L1080-K1084 VanDerWaalsContact O-CG 3.24Å; L1080-K1084 WeakPolarHBondContact O-CG 3.34Å; L1080-K1084 PolarHBondContact O-N 3.28Å; L1080-K1084 VanDerWaalsContact O-N 3.17Å
1081K59.5Low60.4Low109 Ų109104 Ų10447%0.47450%0.497SS..Hα-helixtrans-63.4-50.2169.6-81.6-170.3174-169.40110K1077 F1078 M1083 K1084 T1085K1077-K1081 PolarHBondContact O-N 3.47Å; F1078-K1081 CarbonylContact O-C 3.59Å; F1078-K1081 WeakPolarHBondContact O-CB 3.42Å; F1078-K1081 PolarHBondContact O-N 3.13Å; F1078-K1081 VanDerWaalsContact O-N 3.11Å; K1081-M1083 PolarHBondContact O-N 3.11Å; K1081-K1084 PolarHBondContact O-N 2.95Å; K1081-K1084 VanDerWaalsContact O-N 3.17Å; K1081-T1085 PolarHBondContact O-N 2.9Å; K1081-T1085 PolarHBondContact O-OG1 2.81Å
1082R56.8Low59.4Low151 Ų151107.7 Ų107.757%0.5751%0.514SS*.Hα-helixtrans-56.4-49.2178.8-172.9-178.9-178.7-161.42112.1F1078 E1079 K1084 T1085 L1086F1078-R1082 WeakPolarHBondContact O-CB 3.33Å; F1078-R1082 PolarHBondContact O-N 3.42Å; E1079-R1082 PolarHBondContact O-N 2.83Å; R1082-K1084 PolarHBondContact O-N 3.07Å; R1082-T1085 PolarHBondContact O-N 3.14Å; R1082-L1086 HydrophobicContact CG-CD1 4.21Å; R1082-L1086 WeakPolarHBondContact O-CG 3.43Å; R1082-L1086 PolarHBondContact O-N 3.25Å
1083M61.4Low59.4Low112 Ų112106.1 Ų106.155%0.55251%0.505SS*.Hα-helixtrans-61.7-41.5176.1-78.8-155.6-81.100112.6E1079 K1081 T1085 L1086 Q1087E1079-M1083 HydrophobicContact CG-CE 4.36Å; E1079-M1083 WeakPolarHBondContact O-CB 3.34Å; E1079-M1083 PolarHBondContact O-N 2.9Å; K1081-M1083 PolarHBondContact O-N 3.11Å; M1083-T1085 PolarHBondContact O-N 2.95Å; M1083-L1086 PolarHBondContact O-N 3.45Å; M1083-Q1087 VanDerWaalsContact O-CB 3.29Å; M1083-Q1087 WeakPolarHBondContact O-CB 3.29Å; M1083-Q1087 PolarHBondContact O-N 3.41Å
1084K56.4Low59.3Low108 Ų108103.9 Ų103.947%0.4749%0.491SS..Hα-helixtrans-64.4-38.5175.5-74.7169.7-179.6173.20112.3L1080 K1081 R1082 Q1087 R1088L1080-K1084 HydrophobicContact CG-CD 4.35Å; L1080-K1084 WeakPolarHBondContact O-CB 3.39Å; L1080-K1084 WeakPolarHBondContact O-CD 3.35Å; L1080-K1084 VanDerWaalsContact O-CG 3.24Å; L1080-K1084 WeakPolarHBondContact O-CG 3.34Å; L1080-K1084 PolarHBondContact O-N 3.28Å; L1080-K1084 VanDerWaalsContact O-N 3.17Å; K1081-K1084 PolarHBondContact O-N 2.95Å; K1081-K1084 VanDerWaalsContact O-N 3.17Å; R1082-K1084 PolarHBondContact O-N 3.07Å; K1084-Q1087 PolarHBondContact O-N 2.9Å; K1084-R1088 WeakPolarHBondContact O-CG 3.41Å; K1084-R1088 PolarHBondContact O-N 3.19Å
1085T55.7Low59.4Low42 Ų42101 Ų10126%0.25848%0.478SS..Hα-helixtrans-68.8-42.5176.1-62.70000111.8K1081 R1082 M1083 Q1087 R1088 R1089K1081-T1085 PolarHBondContact O-N 2.9Å; K1081-T1085 PolarHBondContact O-OG1 2.81Å; R1082-T1085 PolarHBondContact O-N 3.14Å; M1083-T1085 PolarHBondContact O-N 2.95Å; T1085-Q1087 PolarHBondContact O-N 2.9Å; T1085-R1088 WeakPolarHBondContact O-CB 3.4Å; T1085-R1088 PolarHBondContact O-N 3.21Å; T1085-R1089 PolarHBondContact O-N 2.63Å
1086L56Low59.2Low83 Ų83103.7 Ų103.744%0.43549%0.488SS..Hα-helixtrans-62.6-41.5173-70170.7000111.8R1082 M1083 R1088 R1089 A1090R1082-L1086 HydrophobicContact CG-CD1 4.21Å; R1082-L1086 WeakPolarHBondContact O-CG 3.43Å; R1082-L1086 PolarHBondContact O-N 3.25Å; M1083-L1086 PolarHBondContact O-N 3.45Å; L1086-R1088 VanDerWaalsContact C-N 3.34Å; L1086-R1088 PolarHBondContact O-N 3.11Å; L1086-R1089 PolarHBondContact O-N 2.68Å; L1086-A1090 WeakPolarHBondContact O-CB 3.36Å; L1086-A1090 PolarHBondContact O-N 2.97Å
1087Q57.1Low59.7Low127 Ų12798.5 Ų98.559%0.59347%0.465SS*.Hα-helixtrans-64.6-36.2175.7-168.4-179.631.500112.4M1083 K1084 T1085 K1091M1083-Q1087 VanDerWaalsContact O-CB 3.29Å; M1083-Q1087 WeakPolarHBondContact O-CB 3.29Å; M1083-Q1087 PolarHBondContact O-N 3.41Å; K1084-Q1087 PolarHBondContact O-N 2.9Å; T1085-Q1087 PolarHBondContact O-N 2.9Å; Q1087-K1091 PolarHBondContact O-N 3.02Å
1088R54.6Low59.5Low126 Ų12692.6 Ų92.648%0.47544%0.439SS..Hα-helixtrans-64.2-49170.7-76.4170.2173.7174.7-3.1111.5G150 K1084 T1085 L1086 A1090 K1091 M1092G150-R1088 PolarHBondContact O-NH2 2.96Å; K1084-R1088 WeakPolarHBondContact O-CG 3.41Å; K1084-R1088 PolarHBondContact O-N 3.19Å; T1085-R1088 WeakPolarHBondContact O-CB 3.4Å; T1085-R1088 PolarHBondContact O-N 3.21Å; L1086-R1088 VanDerWaalsContact C-N 3.34Å; L1086-R1088 PolarHBondContact O-N 3.11Å; R1088-A1090 VanDerWaalsContact C-N 3.3Å; R1088-A1090 PolarHBondContact O-N 2.89Å; R1088-K1091 PolarHBondContact O-N 2.91Å; R1088-M1092 WeakPolarHBondContact O-CB 3.48Å; R1088-M1092 WeakPolarHBondContact O-CG 3.25Å; R1088-M1092 PolarHBondContact O-N 2.94Å
1089R57.5Low59.5Low181 Ų18188.9 Ų88.968%0.68343%0.427SS*.Hα-helixtrans-60.6-38.7178.2-168.8172.9-178.4163.71111.8T1085 L1086 M1092 S1093T1085-R1089 PolarHBondContact O-N 2.63Å; L1086-R1089 PolarHBondContact O-N 2.68Å; R1089-M1092 PolarHBondContact O-N 3.05Å; R1089-S1093 WeakPolarHBondContact O-CB 3.15Å; R1089-S1093 PolarHBondContact O-N 3.26Å
1090A59Low59.7Low56 Ų5686.6 Ų86.646%0.46342%0.415SS..Hα-helixtrans-65.1-47.7173.200000112.5L1086 R1088 M1092 S1093 V1094L1086-A1090 WeakPolarHBondContact O-CB 3.36Å; L1086-A1090 PolarHBondContact O-N 2.97Å; R1088-A1090 VanDerWaalsContact C-N 3.3Å; R1088-A1090 PolarHBondContact O-N 2.89Å; A1090-M1092 VanDerWaalsContact C-N 3.3Å; A1090-M1092 PolarHBondContact O-N 3.45Å; A1090-S1093 PolarHBondContact O-N 3.01Å; A1090-V1094 WeakPolarHBondContact O-CG2 3.42Å; A1090-V1094 PolarHBondContact O-N 2.79Å
1091K58Low59.7Low90 Ų9082.4 Ų82.439%0.39139%0.393SS..Hα-helixtrans-57.2-42.7173-85.9-168.7166.6-166.60111.7S151 E255 Q1087 R1088 V1094 M1095S151-K1091 PolarHBondContact OG-NZ 3.04Å; E255-K1091 IonicContact OE2-NZ 3.75Å; Q1087-K1091 PolarHBondContact O-N 3.02Å; R1088-K1091 PolarHBondContact O-N 2.91Å; K1091-V1094 PolarHBondContact O-N 2.95Å; K1091-M1095 WeakPolarHBondContact O-CB 3.19Å; K1091-M1095 PolarHBondContact O-N 3.34Å
1092M53.3Low59.6Low133 Ų13378.6 Ų78.666%0.65538%0.377SS*.Hα-helixtrans-67.1-38.3177.5-72.5176.765.500112.5R1088 R1089 A1090 M1095 D1096R1088-M1092 WeakPolarHBondContact O-CB 3.48Å; R1088-M1092 WeakPolarHBondContact O-CG 3.25Å; R1088-M1092 PolarHBondContact O-N 2.94Å; R1089-M1092 PolarHBondContact O-N 3.05Å; A1090-M1092 VanDerWaalsContact C-N 3.3Å; A1090-M1092 PolarHBondContact O-N 3.45Å; M1092-M1095 CarbonylContact O-C 3.52Å; M1092-M1095 PolarHBondContact O-N 3.49Å; M1092-D1096 VanDerWaalsContact O-CB 3.29Å; M1092-D1096 WeakPolarHBondContact O-CB 3.29Å; M1092-D1096 PolarHBondContact O-N 3.27Å
1093S60.9Low59.9Low57 Ų5775.2 Ų75.240%0.39938%0.377SS..Hα-helixtrans-67.2-34.3175.2171.20000112.9R1089 A1090 R1097R1089-S1093 WeakPolarHBondContact O-CB 3.15Å; R1089-S1093 PolarHBondContact O-N 3.26Å; A1090-S1093 PolarHBondContact O-N 3.01Å; S1093-R1097 WeakPolarHBondContact O-CB 3.46Å; S1093-R1097 WeakPolarHBondContact O-CG 3.28Å; S1093-R1097 PolarHBondContact O-N 2.82Å; S1093-R1097 VanDerWaalsContact O-N 3.09Å; S1093-R1097 PolarHBondContact O-NE 3.1Å
1094V62.5Low60.5Low59 Ų5970 Ų7036%0.35835%0.351SS..Hα-helixtrans-66.3-45.5169.3173.90000110.1A1090 K1091 D1096 F1098A1090-V1094 WeakPolarHBondContact O-CG2 3.42Å; A1090-V1094 PolarHBondContact O-N 2.79Å; K1091-V1094 PolarHBondContact O-N 2.95Å; V1094-D1096 VanDerWaalsContact C-N 3.31Å; V1094-D1096 PolarHBondContact O-N 3.33Å; V1094-F1098 WeakPolarHBondContact O-CB 3.38Å; V1094-F1098 PolarHBondContact O-N 3.37Å
1095M59.2Low60.7Low58 Ų5867.5 Ų67.529%0.28634%0.341SS..Hα-helixtrans-66-28.5177.8-169.463.771.400113.4K1091 M1092 F1098 C1099K1091-M1095 WeakPolarHBondContact O-CB 3.19Å; K1091-M1095 PolarHBondContact O-N 3.34Å; M1092-M1095 CarbonylContact O-C 3.52Å; M1092-M1095 PolarHBondContact O-N 3.49Å; M1095-F1098 HydrophobicContact CG-CD1 4.44Å; M1095-F1098 WeakPolarHBondContact O-CB 3.35Å; M1095-F1098 WeakPolarHBondContact O-CD1 3.45Å; M1095-F1098 HydrophobicContact SD-CD1 3.47Å; M1095-F1098 WeakPolarHBondContact SD-CD1 3.49Å; M1095-F1098 HydrophobicContact SD-CE1 3.48Å; M1095-F1098 WeakPolarHBondContact SD-CE1 3.3Å; M1095-F1098 HydrophobicContact SD-CG 4.11Å; M1095-F1098 HydrophobicContact SD-CZ 4.02Å; M1095-C1099 WeakPolarHBondContact O-CB 3.48Å; M1095-C1099 PolarHBondContact O-N 2.99Å; M1095-C1099 PolarHBondContact O-SG 3.16Å; M1095-C1099 VanDerWaalsContact O-SG 3.34Å
1096D58.8Low61.6Low91 Ų9168.4 Ų68.449%0.48734%0.339SS..Hα-helixtrans-78.9-45.6177.8-172.171.6000111.5M1092 V1094 F1098 C1099 K1100M1092-D1096 VanDerWaalsContact O-CB 3.29Å; M1092-D1096 WeakPolarHBondContact O-CB 3.29Å; M1092-D1096 PolarHBondContact O-N 3.27Å; V1094-D1096 VanDerWaalsContact C-N 3.31Å; V1094-D1096 PolarHBondContact O-N 3.33Å; D1096-F1098 VanDerWaalsContact C-N 3.29Å; D1096-F1098 PolarHBondContact O-N 3.06Å; D1096-C1099 CarbonylContact O-C 3.52Å; D1096-C1099 WeakPolarHBondContact O-CA 3.24Å; D1096-C1099 PolarHBondContact O-N 3.26Å; D1096-K1100 PolarHBondContact O-N 3.44Å
1097R74.8Confident62.9Low31 Ų3165.9 Ų65.912%0.11732%0.324CS..Hα-helixtrans-59.7-40.9169.8-75.2-176.7-69.5138.8-3.8111.4S1093 K1100 A1101 L1169 D1173 S1176S1093-R1097 WeakPolarHBondContact O-CB 3.46Å; S1093-R1097 WeakPolarHBondContact O-CG 3.28Å; S1093-R1097 PolarHBondContact O-N 2.82Å; S1093-R1097 VanDerWaalsContact O-N 3.09Å; S1093-R1097 PolarHBondContact O-NE 3.1Å; R1097-K1100 PolarHBondContact O-N 3.5Å; R1097-A1101 WeakPolarHBondContact O-CB 3.31Å; R1097-A1101 PolarHBondContact O-N 3.44Å; R1097-L1169 HydrophobicContact CB-CD1 3.88Å; R1097-L1169 HydrophobicContact CG-CD1 3.86Å; R1097-D1173 IonicContact CZ-OD1 3.3Å; R1097-D1173 VanDerWaalsContact NH1-CA 3.35Å; R1097-D1173 IonicContact NH1-OD1 2.87Å; R1097-D1173 PolarHBondContact NH1-OD1 3.36Å; R1097-D1173 IonicContact NH2-OD1 2.81Å; R1097-S1176 PolarHBondContact NH2-OG 2.91Å; R1097-S1176 VanDerWaalsContact NH2-OG 3.07Å
1098F60.2Low63.8Low17 Ų1760.4 Ų60.48%0.07530%0.299CS..Hα-helixtrans-55.7-45.1166.8160.7-81.3000113P1007 W1008 V1094 M1095 D1096 K1100 A1101 Q1102P1007-F1098 HydrophobicContact CB-CD2 3.82Å; P1007-F1098 HydrophobicContact CB-CE2 4.08Å; P1007-F1098 HydrophobicContact CG-CD2 3.35Å; P1007-F1098 HydrophobicContact CG-CE2 3.69Å; P1007-F1098 HydrophobicContact CG-CG 4.46Å; W1008-F1098 HydrophobicContact CB-CD2 3.31Å; W1008-F1098 HydrophobicContact CB-CE2 3.13Å; W1008-F1098 HydrophobicContact CB-CG 4.34Å; W1008-F1098 HydrophobicContact CB-CZ 3.96Å; W1008-F1098 AromaticContact CD1-CE2 3.99Å; W1008-F1098 HydrophobicContact CG-CD2 4.33Å; W1008-F1098 AromaticContact CG-CE2 3.69Å; W1008-F1098 HydrophobicContact CG-CE2 3.69Å; W1008-F1098 HydrophobicContact CG-CZ 4.32Å; V1094-F1098 WeakPolarHBondContact O-CB 3.38Å; V1094-F1098 PolarHBondContact O-N 3.37Å; M1095-F1098 HydrophobicContact CG-CD1 4.44Å; M1095-F1098 WeakPolarHBondContact O-CB 3.35Å; M1095-F1098 WeakPolarHBondContact O-CD1 3.45Å; M1095-F1098 HydrophobicContact SD-CD1 3.47Å; M1095-F1098 WeakPolarHBondContact SD-CD1 3.49Å; M1095-F1098 HydrophobicContact SD-CE1 3.48Å; M1095-F1098 WeakPolarHBondContact SD-CE1 3.3Å; M1095-F1098 HydrophobicContact SD-CG 4.11Å; M1095-F1098 HydrophobicContact SD-CZ 4.02Å; D1096-F1098 VanDerWaalsContact C-N 3.29Å; D1096-F1098 PolarHBondContact O-N 3.06Å; F1098-K1100 VanDerWaalsContact C-N 3.33Å; F1098-A1101 WeakPolarHBondContact O-CB 3.16Å; F1098-A1101 PolarHBondContact O-N 3.21Å; F1098-Q1102 HydrophobicContact CD1-CG 4.45Å; F1098-Q1102 HydrophobicContact CE1-CG 4.36Å; F1098-Q1102 VanDerWaalsContact O-CB 3.3Å; F1098-Q1102 WeakPolarHBondContact O-CB 3.2Å; F1098-Q1102 VanDerWaalsContact O-CG 3.26Å; F1098-Q1102 WeakPolarHBondContact O-CG 3.42Å; F1098-Q1102 PolarHBondContact O-N 3.09Å
1099C60.1Low64.7Low34 Ų3457 Ų5723%0.2329%0.289CS..Hα-helixtrans-69.9-31.7179.2-840000112M1095 D1096 Q1102 S1103M1095-C1099 WeakPolarHBondContact O-CB 3.48Å; M1095-C1099 PolarHBondContact O-N 2.99Å; M1095-C1099 PolarHBondContact O-SG 3.16Å; M1095-C1099 VanDerWaalsContact O-SG 3.34Å; D1096-C1099 CarbonylContact O-C 3.52Å; D1096-C1099 WeakPolarHBondContact O-CA 3.24Å; D1096-C1099 PolarHBondContact O-N 3.26Å; C1099-Q1102 CarbonylContact O-C 3.58Å; C1099-Q1102 WeakPolarHBondContact O-CA 3.44Å; C1099-Q1102 WeakPolarHBondContact O-CB 3.47Å; C1099-Q1102 PolarHBondContact O-N 2.9Å; C1099-S1103 PolarHBondContact O-N 2.78Å; C1099-S1103 VanDerWaalsContact O-N 3.13Å
1100K66.5Low65.7Low64 Ų6449.6 Ų49.628%0.27826%0.262SS..Hα-helixtrans-72.3-43.3174.3-172.8-170.6174.6-1630111.8D1096 R1097 F1098 Q1102 S1103 I1104 E1165 L1169D1096-K1100 PolarHBondContact O-N 3.44Å; R1097-K1100 PolarHBondContact O-N 3.5Å; F1098-K1100 VanDerWaalsContact C-N 3.33Å; K1100-Q1102 VanDerWaalsContact C-N 3.29Å; K1100-Q1102 PolarHBondContact O-N 3.49Å; K1100-S1103 WeakPolarHBondContact O-CA 3.46Å; K1100-S1103 WeakPolarHBondContact O-CB 3.44Å; K1100-S1103 PolarHBondContact O-N 3.34Å; K1100-I1104 PolarHBondContact O-N 2.94Å; K1100-E1165 WeakPolarHBondContact CE-OE1 3.49Å; K1100-E1165 IonicContact NZ-OE1 2.68Å; K1100-E1165 PolarHBondContact NZ-OE1 2.84Å; K1100-L1169 HydrophobicContact CB-CD2 4.47Å; K1100-L1169 HydrophobicContact CD-CD1 4.23Å; K1100-L1169 HydrophobicContact CG-CD2 4.5Å
1101A65.5Low66.7Low1 Ų147 Ų471%0.00824%0.24CC..Hα-helixtrans-50.5-54.3163.800000109Y263 W1008 N1009 L1010 R1097 F1098 S1103 I1104 L1169Y263-A1101 HydrophobicContact CE1-CB 3.67Å; Y263-A1101 HydrophobicContact CE2-CB 4.01Å; Y263-A1101 VanDerWaalsContact OH-CB 3.27Å; Y263-A1101 WeakPolarHBondContact OH-CB 3.25Å; W1008-A1101 WeakPolarHBondContact O-CB 3.45Å; N1009-A1101 PolarHBondContact OD1-O 3.42Å; L1010-A1101 WeakPolarHBondContact CD1-O 3.33Å; R1097-A1101 WeakPolarHBondContact O-CB 3.31Å; R1097-A1101 PolarHBondContact O-N 3.44Å; F1098-A1101 WeakPolarHBondContact O-CB 3.16Å; F1098-A1101 PolarHBondContact O-N 3.21Å; A1101-S1103 PolarHBondContact O-N 2.99Å; A1101-I1104 PolarHBondContact O-N 3.44Å; A1101-L1169 HydrophobicContact CB-CD2 3.66Å
1102Q56.6Low67.7Low30 Ų3046.2 Ų46.214%0.1424%0.238CC..Hα-helixtrans-63.620.6168.2-63.5-166.60.800115.7W1008 L1010 F1098 C1099 K1100W1008-Q1102 HydrophobicContact CB-CG 4.17Å; W1008-Q1102 HydrophobicContact CE3-CG 4.34Å; W1008-Q1102 WeakPolarHBondContact O-CG 3.48Å; W1008-Q1102 PolarHBondContact O-N 3.16Å; L1010-Q1102 VanDerWaalsContact CD2-O 3.28Å; L1010-Q1102 WeakPolarHBondContact CD2-O 3.37Å; L1010-Q1102 HydrophobicContact CG-CB 4.36Å; L1010-Q1102 VanDerWaalsContact CG-O 3.26Å; L1010-Q1102 WeakPolarHBondContact CG-O 3.28Å; F1098-Q1102 HydrophobicContact CD1-CG 4.45Å; F1098-Q1102 HydrophobicContact CE1-CG 4.36Å; F1098-Q1102 VanDerWaalsContact O-CB 3.3Å; F1098-Q1102 WeakPolarHBondContact O-CB 3.2Å; F1098-Q1102 VanDerWaalsContact O-CG 3.26Å; F1098-Q1102 WeakPolarHBondContact O-CG 3.42Å; F1098-Q1102 PolarHBondContact O-N 3.09Å; C1099-Q1102 CarbonylContact O-C 3.58Å; C1099-Q1102 WeakPolarHBondContact O-CA 3.44Å; C1099-Q1102 WeakPolarHBondContact O-CB 3.47Å; C1099-Q1102 PolarHBondContact O-N 2.9Å; K1100-Q1102 VanDerWaalsContact C-N 3.29Å; K1100-Q1102 PolarHBondContact O-N 3.49Å
1103S64.7Low68.9Low80 Ų8044.4 Ų44.456%0.55923%0.234SC*.Hα-helixtrans-122.6-14.8163.4-166.70000114.1C1099 K1100 A1101C1099-S1103 PolarHBondContact O-N 2.78Å; C1099-S1103 VanDerWaalsContact O-N 3.13Å; K1100-S1103 WeakPolarHBondContact O-CA 3.46Å; K1100-S1103 WeakPolarHBondContact O-CB 3.44Å; K1100-S1103 PolarHBondContact O-N 3.34Å; A1101-S1103 PolarHBondContact O-N 2.99Å
1104I73.7Confident69.7Low2 Ų243.8 Ų43.81%0.0123%0.23CC..Hα-helixtrans-88.7-65.7-174-64.1161.1000112.9K1100 A1101 R1106 R1107 L1108 L1162 E1165 L1169K1100-I1104 PolarHBondContact O-N 2.94Å; A1101-I1104 PolarHBondContact O-N 3.44Å; I1104-R1106 PolarHBondContact O-N 2.8Å; I1104-R1107 CarbonylContact O-C 3.59Å; I1104-R1107 WeakPolarHBondContact O-CA 3.47Å; I1104-R1107 VanDerWaalsContact O-CB 3.25Å; I1104-R1107 WeakPolarHBondContact O-CB 3.47Å; I1104-R1107 PolarHBondContact O-N 3.26Å; I1104-L1108 HydrophobicContact CG2-CD1 4.1Å; I1104-L1108 PolarHBondContact O-N 3.33Å; I1104-L1162 HydrophobicContact CB-CD2 4.48Å; I1104-L1162 HydrophobicContact CG1-CD2 4.35Å; I1104-L1162 HydrophobicContact CG2-CB 4.17Å; I1104-L1162 HydrophobicContact CG2-CD2 4.2Å; I1104-L1162 WeakPolarHBondContact CG2-O 3.28Å; I1104-E1165 HydrophobicContact CD1-CB 4.11Å; I1104-E1165 HydrophobicContact CD1-CG 3.85Å; I1104-E1165 HydrophobicContact CG1-CG 4.41Å; I1104-L1169 HydrophobicContact CD1-CD2 4.15Å
1105Q60.6Low70.4Confident55 Ų5541.2 Ų41.226%0.25721%0.214SC..Hα-helixtrans-60.1-47.2-171.1171.6170.8-13.400117.1N1009 L1010 R1107 L1108 E1109N1009-Q1105 HydrophobicContact CB-CB 4.29Å; N1009-Q1105 VanDerWaalsContact ND2-CB 3.27Å; N1009-Q1105 WeakPolarHBondContact ND2-CB 3.09Å; N1009-Q1105 PolarHBondContact ND2-OE1 3.17Å; L1010-Q1105 HydrophobicContact CD1-CB 3.71Å; Q1105-R1107 PolarHBondContact O-N 2.85Å; Q1105-R1107 VanDerWaalsContact O-N 3.16Å; Q1105-L1108 CarbonylContact O-C 3.57Å; Q1105-L1108 VanDerWaalsContact O-CA 3.27Å; Q1105-L1108 WeakPolarHBondContact O-CA 3.16Å; Q1105-L1108 VanDerWaalsContact O-CB 3.25Å; Q1105-L1108 WeakPolarHBondContact O-CB 3.12Å; Q1105-L1108 PolarHBondContact O-N 2.65Å; Q1105-E1109 HydrophobicContact CG-CG 4.04Å; Q1105-E1109 PolarHBondContact NE2-OE1 2.53Å; Q1105-E1109 WeakPolarHBondContact O-CG 3.38Å; Q1105-E1109 PolarHBondContact O-N 3.26Å
1106R73.2Confident71.3Confident61 Ų6145.1 Ų45.123%0.2323%0.229CC..Hα-helixtrans-68.9-11.1174.2175-91-169.985-1.1112L1010 S1011 I1104 E1109 E1110L1010-R1106 HydrophobicContact CB-CB 3.73Å; L1010-R1106 VanDerWaalsContact CD1-N 3.31Å; L1010-R1106 HydrophobicContact CD2-CB 3.64Å; L1010-R1106 VanDerWaalsContact CD2-N 3.29Å; L1010-R1106 HydrophobicContact CG-CB 4.07Å; S1011-R1106 VanDerWaalsContact CB-CD 3.45Å; S1011-R1106 VanDerWaalsContact CB-CG 3.49Å; S1011-R1106 PolarHBondContact OG-NH1 2.84Å; I1104-R1106 PolarHBondContact O-N 2.8Å; R1106-E1109 WeakPolarHBondContact CB-OE2 3.11Å; R1106-E1110 WeakPolarHBondContact CD-OE1 3.42Å; R1106-E1110 HydrophobicContact CG-CG 4.46Å; R1106-E1110 IonicContact CZ-OE1 2.68Å; R1106-E1110 IonicContact NE-OE1 2.78Å; R1106-E1110 PolarHBondContact NE-OE1 2.94Å; R1106-E1110 IonicContact NH2-OE1 3.04Å; R1106-E1110 PolarHBondContact NH2-OE1 3.31Å; R1106-E1110 VanDerWaalsContact O-CB 3.25Å; R1106-E1110 WeakPolarHBondContact O-CB 3.48Å; R1106-E1110 WeakPolarHBondContact O-CG 3.39Å; R1106-E1110 PolarHBondContact O-N 3.29Å
1107R84.3Confident72.3Confident30 Ų3044.8 Ų44.811%0.11323%0.227CC..Hα-helixtrans-75.1-41161.6-166.765.3-159.5128.721.2111.4R1014 I1104 Q1105 E1109 E1110 I1111 E1158 L1162R1014-R1107 VanDerWaalsContact CZ-NE 3.28Å; I1104-R1107 CarbonylContact O-C 3.59Å; I1104-R1107 WeakPolarHBondContact O-CA 3.47Å; I1104-R1107 VanDerWaalsContact O-CB 3.25Å; I1104-R1107 WeakPolarHBondContact O-CB 3.47Å; I1104-R1107 PolarHBondContact O-N 3.26Å; Q1105-R1107 PolarHBondContact O-N 2.85Å; Q1105-R1107 VanDerWaalsContact O-N 3.16Å; R1107-E1109 VanDerWaalsContact C-N 3.32Å; R1107-E1109 PolarHBondContact O-N 3.46Å; R1107-E1110 IonicContact CZ-OE2 3.86Å; R1107-E1110 IonicContact NH1-OE2 3.57Å; R1107-E1110 PolarHBondContact NH1-OE2 3.02Å; R1107-E1110 PolarHBondContact O-N 2.87Å; R1107-I1111 WeakPolarHBondContact O-CB 3.27Å; R1107-I1111 WeakPolarHBondContact O-CD1 3.49Å; R1107-I1111 WeakPolarHBondContact O-CG1 3.47Å; R1107-I1111 PolarHBondContact O-N 3.33Å; R1107-E1158 WeakPolarHBondContact CG-OE1 3.48Å; R1107-E1158 IonicContact CZ-OE1 3.49Å; R1107-E1158 VanDerWaalsContact CZ-OE1 3.27Å; R1107-E1158 IonicContact CZ-OE2 2.81Å; R1107-E1158 IonicContact NE-OE1 2.82Å; R1107-E1158 PolarHBondContact NE-OE1 2.89Å; R1107-E1158 IonicContact NE-OE2 3.63Å; R1107-E1158 IonicContact NH2-OE1 2.68Å; R1107-E1158 PolarHBondContact NH2-OE1 3.26Å; R1107-E1158 IonicContact NH2-OE2 3.79Å; R1107-E1158 PolarHBondContact NH2-OE2 2.97Å; R1107-L1162 HydrophobicContact CB-CD1 3.94Å; R1107-L1162 HydrophobicContact CG-CD1 3.58Å
1108L75.1Confident72.6Confident12 Ų1243.9 Ų43.96%0.06323%0.225CC..Hα-helixtrans-60.3-33.7167.3-64.5170.9000113.8R741 I1104 Q1105 E1112 E1159 L1162 M1163R741-L1108 PolarHBondContact NH1-O 3.13Å; I1104-L1108 HydrophobicContact CG2-CD1 4.1Å; I1104-L1108 PolarHBondContact O-N 3.33Å; Q1105-L1108 CarbonylContact O-C 3.57Å; Q1105-L1108 VanDerWaalsContact O-CA 3.27Å; Q1105-L1108 WeakPolarHBondContact O-CA 3.16Å; Q1105-L1108 VanDerWaalsContact O-CB 3.25Å; Q1105-L1108 WeakPolarHBondContact O-CB 3.12Å; Q1105-L1108 PolarHBondContact O-N 2.65Å; L1108-E1112 WeakPolarHBondContact O-CB 3.46Å; L1108-E1112 PolarHBondContact O-N 3.32Å; L1108-E1159 HydrophobicContact CD2-CB 4.36Å; L1108-E1159 HydrophobicContact CD2-CG 4.03Å; L1108-L1162 HydrophobicContact CD2-CB 3.6Å; L1108-L1162 HydrophobicContact CD2-CD1 4.12Å; L1108-L1162 HydrophobicContact CG-CB 4.02Å; L1108-L1162 HydrophobicContact CG-CD1 4.41Å; L1108-M1163 HydrophobicContact CD1-SD 3.97Å; L1108-M1163 HydrophobicContact CD2-CG 4.47Å
1109E73.9Confident73.4Confident56 Ų5644.6 Ų44.626%0.26223%0.228SC..Hα-helixtrans-79.9-34.7176.3-61.1168.9158.100111.9Q1105 R1106 R1107 I1111 E1112 V1113Q1105-E1109 HydrophobicContact CG-CG 4.04Å; Q1105-E1109 PolarHBondContact NE2-OE1 2.53Å; Q1105-E1109 WeakPolarHBondContact O-CG 3.38Å; Q1105-E1109 PolarHBondContact O-N 3.26Å; R1106-E1109 WeakPolarHBondContact CB-OE2 3.11Å; R1107-E1109 VanDerWaalsContact C-N 3.32Å; R1107-E1109 PolarHBondContact O-N 3.46Å; E1109-I1111 VanDerWaalsContact C-N 3.33Å; E1109-E1112 WeakPolarHBondContact O-CB 3.4Å; E1109-E1112 PolarHBondContact O-N 3.47Å; E1109-V1113 WeakPolarHBondContact O-CG2 3.23Å; E1109-V1113 PolarHBondContact O-N 2.91Å
1110E78.2Confident74.4Confident25 Ų2548 Ų4812%0.11724%0.241CC..Hα-helixtrans-64.9-38.8168.2-83.4178.1-174.900111.7P1013 R1106 R1107 S1114P1013-E1110 WeakPolarHBondContact CA-OE1 3.41Å; P1013-E1110 WeakPolarHBondContact CA-OE2 3.46Å; P1013-E1110 WeakPolarHBondContact CB-OE1 3.48Å; P1013-E1110 WeakPolarHBondContact CG-OE1 3.36Å; R1106-E1110 WeakPolarHBondContact CD-OE1 3.42Å; R1106-E1110 HydrophobicContact CG-CG 4.46Å; R1106-E1110 IonicContact CZ-OE1 2.68Å; R1106-E1110 IonicContact NE-OE1 2.78Å; R1106-E1110 PolarHBondContact NE-OE1 2.94Å; R1106-E1110 IonicContact NH2-OE1 3.04Å; R1106-E1110 PolarHBondContact NH2-OE1 3.31Å; R1106-E1110 VanDerWaalsContact O-CB 3.25Å; R1106-E1110 WeakPolarHBondContact O-CB 3.48Å; R1106-E1110 WeakPolarHBondContact O-CG 3.39Å; R1106-E1110 PolarHBondContact O-N 3.29Å; R1107-E1110 IonicContact CZ-OE2 3.86Å; R1107-E1110 IonicContact NH1-OE2 3.57Å; R1107-E1110 PolarHBondContact NH1-OE2 3.02Å; R1107-E1110 PolarHBondContact O-N 2.87Å; E1110-S1114 WeakPolarHBondContact O-CB 3.39Å; E1110-S1114 PolarHBondContact O-N 3.25Å; E1110-S1114 PolarHBondContact O-OG 3.33Å
1111I81.4Confident75.1Confident0 Ų049.8 Ų49.80%025%0.249CC..Hα-helixtrans-60.4-50.8170.2-70.9161.1000109R1107 E1109 V1113 S1114 Y1115 L1155 E1158 E1159 L1162R1107-I1111 WeakPolarHBondContact O-CB 3.27Å; R1107-I1111 WeakPolarHBondContact O-CD1 3.49Å; R1107-I1111 WeakPolarHBondContact O-CG1 3.47Å; R1107-I1111 PolarHBondContact O-N 3.33Å; E1109-I1111 VanDerWaalsContact C-N 3.33Å; I1111-V1113 VanDerWaalsContact C-N 3.34Å; I1111-V1113 PolarHBondContact O-N 2.87Å; I1111-S1114 CarbonylContact O-C 3.53Å; I1111-S1114 PolarHBondContact O-N 3.05Å; I1111-S1114 VanDerWaalsContact O-N 3.11Å; I1111-Y1115 WeakPolarHBondContact O-CB 3.36Å; I1111-Y1115 PolarHBondContact O-N 3.16Å; I1111-L1155 HydrophobicContact CG1-CD2 4.16Å; I1111-L1155 HydrophobicContact CG2-CB 4.11Å; I1111-E1158 HydrophobicContact CD1-CB 4.29Å; I1111-E1158 HydrophobicContact CD1-CG 4.08Å; I1111-E1159 HydrophobicContact CD1-CB 4.26Å; I1111-E1159 HydrophobicContact CG2-CB 4.24Å; I1111-L1162 HydrophobicContact CD1-CD1 3.52Å
1112E77.9Confident75.8Confident74 Ų7449.8 Ų49.835%0.34625%0.248SC..Hα-helixtrans-55.1-43.4179.2-171.3-179.4134.600113.1R741 L1108 E1109 K1116R741-E1112 IonicContact CZ-OE2 3.84Å; R741-E1112 IonicContact NH1-OE2 2.69Å; R741-E1112 IonicContact NH2-OE2 2.73Å; R741-E1112 PolarHBondContact NH2-OE2 2.88Å; L1108-E1112 WeakPolarHBondContact O-CB 3.46Å; L1108-E1112 PolarHBondContact O-N 3.32Å; E1109-E1112 WeakPolarHBondContact O-CB 3.4Å; E1109-E1112 PolarHBondContact O-N 3.47Å; E1112-K1116 PolarHBondContact O-N 2.83Å
1113V78.6Confident76.8Confident95 Ų9548.8 Ų48.858%0.57624%0.244SC*.Hα-helixtrans-67.7-47.1173.9172.70000111.4E1109 I1111 Y1115 K1116 D1117E1109-V1113 WeakPolarHBondContact O-CG2 3.23Å; E1109-V1113 PolarHBondContact O-N 2.91Å; I1111-V1113 VanDerWaalsContact C-N 3.34Å; I1111-V1113 PolarHBondContact O-N 2.87Å; V1113-Y1115 VanDerWaalsContact C-N 3.29Å; V1113-Y1115 PolarHBondContact O-N 3.47Å; V1113-K1116 PolarHBondContact O-N 3.2Å; V1113-D1117 PolarHBondContact O-N 2.84Å; V1113-D1117 VanDerWaalsContact O-N 3.14Å
1114S78.5Confident77.6Confident45 Ų4550.5 Ų50.532%0.31524%0.242SC..Hα-helixtrans-64.6-34.7-179.1-54.90000112.3E1110 I1111 D1117 L1118E1110-S1114 WeakPolarHBondContact O-CB 3.39Å; E1110-S1114 PolarHBondContact O-N 3.25Å; E1110-S1114 PolarHBondContact O-OG 3.33Å; I1111-S1114 CarbonylContact O-C 3.53Å; I1111-S1114 PolarHBondContact O-N 3.05Å; I1111-S1114 VanDerWaalsContact O-N 3.11Å; S1114-D1117 WeakPolarHBondContact O-CB 3.38Å; S1114-D1117 PolarHBondContact O-N 3.11Å; S1114-L1118 WeakPolarHBondContact O-CG 2.83Å; S1114-L1118 PolarHBondContact O-N 2.89Å
1115Y77.6Confident77.7Confident4 Ų451.4 Ų51.42%0.01625%0.246CC..Hα-helixtrans-65.1-47.4178-164.4-77.5000110.4R728 I1111 V1113 D1117 L1118 E1119 K1152 V1156R728-Y1115 HydrophobicContact CB-CE1 4.14Å; R728-Y1115 VanDerWaalsContact CD-CD1 3.48Å; R728-Y1115 HydrophobicContact CG-CE1 4.33Å; I1111-Y1115 WeakPolarHBondContact O-CB 3.36Å; I1111-Y1115 PolarHBondContact O-N 3.16Å; V1113-Y1115 VanDerWaalsContact C-N 3.29Å; V1113-Y1115 PolarHBondContact O-N 3.47Å; Y1115-D1117 VanDerWaalsContact C-N 3.3Å; Y1115-D1117 PolarHBondContact O-N 3.01Å; Y1115-L1118 CarbonylContact O-C 3.56Å; Y1115-L1118 WeakPolarHBondContact O-CA 3.34Å; Y1115-L1118 WeakPolarHBondContact O-CB 3.37Å; Y1115-L1118 PolarHBondContact O-N 3.49Å; Y1115-E1119 HydrophobicContact CD1-CG 3.77Å; Y1115-E1119 HydrophobicContact CE1-CG 3.77Å; Y1115-E1119 WeakPolarHBondContact O-CG 3.46Å; Y1115-E1119 PolarHBondContact O-N 3.17Å; Y1115-K1152 HydrophobicContact CE2-CG 4.11Å; Y1115-K1152 WeakPolarHBondContact OH-CE 3Å; Y1115-V1156 HydrophobicContact CE2-CG2 3.67Å
1116K76.9Confident78.4Confident141 Ų14149.2 Ų49.261%0.61324%0.236SC*.Hα-helixtrans-60.5-39.8176.3-172.8-179.9178.9-177.20112.3E1112 V1113 L1118 E1119 E1120E1112-K1116 PolarHBondContact O-N 2.83Å; V1113-K1116 PolarHBondContact O-N 3.2Å; K1116-L1118 VanDerWaalsContact C-N 3.31Å; K1116-L1118 PolarHBondContact O-N 3.31Å; K1116-E1119 PolarHBondContact O-N 2.79Å; K1116-E1120 PolarHBondContact O-N 3.47Å
1117D79.6Confident78.7Confident84 Ų8451.6 Ų51.645%0.44925%0.245SC..Hα-helixtrans-63.5-33.6173.4-94.526000112.9V1113 S1114 Y1115 K1121V1113-D1117 PolarHBondContact O-N 2.84Å; V1113-D1117 VanDerWaalsContact O-N 3.14Å; S1114-D1117 WeakPolarHBondContact O-CB 3.38Å; S1114-D1117 PolarHBondContact O-N 3.11Å; Y1115-D1117 VanDerWaalsContact C-N 3.3Å; Y1115-D1117 PolarHBondContact O-N 3.01Å; D1117-K1121 WeakPolarHBondContact O-CD 3.31Å; D1117-K1121 VanDerWaalsContact O-CE 3.26Å; D1117-K1121 WeakPolarHBondContact O-CE 3.24Å; D1117-K1121 WeakPolarHBondContact O-CG 3.46Å; D1117-K1121 PolarHBondContact O-N 3.25Å
1118L80.7Confident78.3Confident12 Ų1253.3 Ų53.36%0.06326%0.262CS..Hα-helixtrans-77.4-39.6174.7-70.9174.8000112.1S1114 Y1115 K1116 K1121 G1122 L1148 E1151 L1155S1114-L1118 WeakPolarHBondContact O-CG 2.83Å; S1114-L1118 PolarHBondContact O-N 2.89Å; Y1115-L1118 CarbonylContact O-C 3.56Å; Y1115-L1118 WeakPolarHBondContact O-CA 3.34Å; Y1115-L1118 WeakPolarHBondContact O-CB 3.37Å; Y1115-L1118 PolarHBondContact O-N 3.49Å; K1116-L1118 VanDerWaalsContact C-N 3.31Å; K1116-L1118 PolarHBondContact O-N 3.31Å; L1118-K1121 PolarHBondContact O-N 3.07Å; L1118-G1122 PolarHBondContact O-N 3.5Å; L1118-L1148 HydrophobicContact CD2-CD2 3.52Å; L1118-E1151 HydrophobicContact CD1-CB 3.96Å; L1118-E1151 HydrophobicContact CD2-CB 4.29Å; L1118-L1155 HydrophobicContact CD1-CD1 3.68Å
1119E78.5Confident78Confident32 Ų3254.5 Ų54.515%0.1527%0.268CS..Hα-helixtrans-55.8-52.4172.2-73.9-179.8126.500110.3Y1115 K1116 K1121 G1122 V1123Y1115-E1119 HydrophobicContact CD1-CG 3.77Å; Y1115-E1119 HydrophobicContact CE1-CG 3.77Å; Y1115-E1119 WeakPolarHBondContact O-CG 3.46Å; Y1115-E1119 PolarHBondContact O-N 3.17Å; K1116-E1119 PolarHBondContact O-N 2.79Å; E1119-K1121 VanDerWaalsContact C-N 3.3Å; E1119-K1121 PolarHBondContact O-N 2.74Å; E1119-G1122 PolarHBondContact O-N 2.8Å; E1119-V1123 WeakPolarHBondContact O-CB 3.07Å; E1119-V1123 WeakPolarHBondContact O-CG2 3.49Å; E1119-V1123 PolarHBondContact O-N 3.26Å
1120E80.1Confident77.8Confident105 Ų10557.8 Ų57.849%0.49128%0.278SS..Hα-helixtrans-63.7-34.4-177.3-161.6-172.9148.100112.8K1116 K1124K1116-E1120 PolarHBondContact O-N 3.47Å; E1120-K1124 WeakPolarHBondContact O-CD 3.33Å; E1120-K1124 VanDerWaalsContact O-CG 3.26Å; E1120-K1124 WeakPolarHBondContact O-CG 3.43Å; E1120-K1124 PolarHBondContact O-N 2.74Å; E1120-K1124 VanDerWaalsContact OE1-CE 3.31Å; E1120-K1124 WeakPolarHBondContact OE1-CE 3.46Å; E1120-K1124 IonicContact OE1-NZ 3.36Å; E1120-K1124 PolarHBondContact OE1-NZ 2.81Å
1121K81.4Confident77.3Confident102 Ų10266 Ų6644%0.44331%0.308SS..Hα-helixtrans-69.1-50.5173.3-69.9163-162.4153.90111.3D1117 L1118 E1119 V1123 K1124 L1125 L1148D1117-K1121 WeakPolarHBondContact O-CD 3.31Å; D1117-K1121 VanDerWaalsContact O-CE 3.26Å; D1117-K1121 WeakPolarHBondContact O-CE 3.24Å; D1117-K1121 WeakPolarHBondContact O-CG 3.46Å; D1117-K1121 PolarHBondContact O-N 3.25Å; L1118-K1121 PolarHBondContact O-N 3.07Å; E1119-K1121 VanDerWaalsContact C-N 3.3Å; E1119-K1121 PolarHBondContact O-N 2.74Å; K1121-V1123 VanDerWaalsContact C-N 3.34Å; K1121-V1123 PolarHBondContact O-N 3.39Å; K1121-K1124 PolarHBondContact O-N 3.24Å; K1121-K1124 VanDerWaalsContact O-N 3.15Å; K1121-L1125 PolarHBondContact O-N 2.92Å; K1121-L1148 HydrophobicContact CB-CD1 4.11Å; K1121-L1148 HydrophobicContact CB-CD2 4.35Å; K1121-L1148 HydrophobicContact CD-CD2 4.48Å
1122G80.1Confident76.1Confident0 Ų072 Ų720%034%0.336CS..Hα-helixtrans-59.4-42.2-178.900000112.8L1118 E1119 K1124 L1125 E1126L1118-G1122 PolarHBondContact O-N 3.5Å; E1119-G1122 PolarHBondContact O-N 2.8Å; G1122-K1124 PolarHBondContact O-N 3.14Å; G1122-L1125 PolarHBondContact O-N 3.19Å; G1122-E1126 VanDerWaalsContact O-CB 3.29Å; G1122-E1126 WeakPolarHBondContact O-CB 3.39Å; G1122-E1126 PolarHBondContact O-N 3.27Å
1123V78.5Confident74.9Confident9 Ų973.7 Ų73.76%0.05535%0.353CS..Hα-helixtrans-63.1-40.3175.9172.30000112Y714 E717 E1119 K1121 R1127Y714-V1123 HydrophobicContact CD2-CB 4.44Å; Y714-V1123 HydrophobicContact CD2-CG1 3.98Å; Y714-V1123 HydrophobicContact CD2-CG2 3.95Å; Y714-V1123 HydrophobicContact CE2-CG1 4.06Å; E717-V1123 HydrophobicContact CG-CG2 3.37Å; E717-V1123 VanDerWaalsContact OE1-CG2 3.23Å; E717-V1123 WeakPolarHBondContact OE1-CG2 3.41Å; E1119-V1123 WeakPolarHBondContact O-CB 3.07Å; E1119-V1123 WeakPolarHBondContact O-CG2 3.49Å; E1119-V1123 PolarHBondContact O-N 3.26Å; K1121-V1123 VanDerWaalsContact C-N 3.34Å; K1121-V1123 PolarHBondContact O-N 3.39Å; V1123-R1127 HydrophobicContact CG1-CG 4.46Å; V1123-R1127 WeakPolarHBondContact O-CB 3.43Å; V1123-R1127 WeakPolarHBondContact O-CD 3.15Å; V1123-R1127 WeakPolarHBondContact O-CG 3.37Å; V1123-R1127 PolarHBondContact O-N 2.9Å
1124K79.9Confident73.7Confident116 Ų11676.5 Ų76.550%0.50437%0.365SS..Hα-helixtrans-67.1-40.7176.6-71.9167.7-173.81680111.5E1120 K1121 G1122 S1128E1120-K1124 WeakPolarHBondContact O-CD 3.33Å; E1120-K1124 VanDerWaalsContact O-CG 3.26Å; E1120-K1124 WeakPolarHBondContact O-CG 3.43Å; E1120-K1124 PolarHBondContact O-N 2.74Å; E1120-K1124 VanDerWaalsContact OE1-CE 3.31Å; E1120-K1124 WeakPolarHBondContact OE1-CE 3.46Å; E1120-K1124 IonicContact OE1-NZ 3.36Å; E1120-K1124 PolarHBondContact OE1-NZ 2.81Å; K1121-K1124 PolarHBondContact O-N 3.24Å; K1121-K1124 VanDerWaalsContact O-N 3.15Å; G1122-K1124 PolarHBondContact O-N 3.14Å; K1124-S1128 PolarHBondContact O-N 3.29Å; K1124-S1128 PolarHBondContact O-OG 2.78Å
1125L77.3Confident72.5Confident22 Ų2278.8 Ų78.812%0.11537%0.374CS..Hα-helixtrans-70.7-48.7179.6-171.360.6000111.8K1121 G1122 R1127 S1128 L1129 T1141 E1144 W1145 L1148K1121-L1125 PolarHBondContact O-N 2.92Å; G1122-L1125 PolarHBondContact O-N 3.19Å; L1125-R1127 PolarHBondContact O-N 2.86Å; L1125-S1128 CarbonylContact O-C 3.57Å; L1125-S1128 WeakPolarHBondContact O-CA 3.33Å; L1125-S1128 WeakPolarHBondContact O-CB 3.49Å; L1125-S1128 PolarHBondContact O-N 3.41Å; L1125-L1129 HydrophobicContact CG-CD1 4.45Å; L1125-L1129 PolarHBondContact O-N 2.82Å; L1125-T1141 HydrophobicContact CD1-CG2 4.12Å; L1125-E1144 HydrophobicContact CD2-CB 3.72Å; L1125-W1145 HydrophobicContact CD2-CB 3.73Å; L1125-W1145 HydrophobicContact CG-CB 4.33Å; L1125-L1148 HydrophobicContact CD2-CD1 3.86Å
1126E75.9Confident71.2Confident9 Ų983.1 Ų83.14%0.04241%0.405CS..Hα-helixtrans-65.6-36179.5-162.5175.9137.800112.2Y714 A715 G1122 S1128 L1129 R1130 W1145Y714-E1126 HydrophobicContact CD1-CB 4.43Å; Y714-E1126 HydrophobicContact CD1-CG 4.2Å; Y714-E1126 WeakPolarHBondContact CD1-OE1 3.5Å; A715-E1126 PolarHBondContact N-OE1 3.42Å; A715-E1126 PolarHBondContact N-OE2 3.26Å; G1122-E1126 VanDerWaalsContact O-CB 3.29Å; G1122-E1126 WeakPolarHBondContact O-CB 3.39Å; G1122-E1126 PolarHBondContact O-N 3.27Å; E1126-S1128 PolarHBondContact O-N 3.15Å; E1126-L1129 PolarHBondContact O-N 2.86Å; E1126-R1130 WeakPolarHBondContact O-CB 3.36Å; E1126-R1130 WeakPolarHBondContact O-CG 3.49Å; E1126-R1130 PolarHBondContact O-N 3.28Å; E1126-R1130 IonicContact OE1-CZ 3.28Å; E1126-R1130 IonicContact OE1-NE 3.46Å; E1126-R1130 PolarHBondContact OE1-NE 3.42Å; E1126-R1130 IonicContact OE1-NH2 3.89Å; E1126-R1130 PolarHBondContact OE1-NH2 3.05Å; E1126-W1145 PolarHBondContact OE2-NE1 3.32Å
1127R77.6Confident70.1Confident111 Ų11181.2 Ų81.242%0.41940%0.401SS..Hα-helixtrans-66.7-20.6169.5-74.7174.3176.3163.94.8113.7Y714 V1123 L1125 R1131Y714-R1127 HydrophobicContact CE1-CG 4Å; Y714-R1127 HydrophobicContact CE2-CG 4.31Å; Y714-R1127 PolarHBondContact OH-NE 2.97Å; V1123-R1127 HydrophobicContact CG1-CG 4.46Å; V1123-R1127 WeakPolarHBondContact O-CB 3.43Å; V1123-R1127 WeakPolarHBondContact O-CD 3.15Å; V1123-R1127 WeakPolarHBondContact O-CG 3.37Å; V1123-R1127 PolarHBondContact O-N 2.9Å; L1125-R1127 PolarHBondContact O-N 2.86Å; R1127-R1131 WeakPolarHBondContact O-CD 3.39Å; R1127-R1131 WeakPolarHBondContact O-CG 3.49Å
1128S76Confident69Low65 Ų6579.3 Ų79.346%0.45540%0.395SS..Hα-helixtrans-85.1-44.2175.5-57.70000110.6K1124 L1125 E1126 R1131 Q1132K1124-S1128 PolarHBondContact O-N 3.29Å; K1124-S1128 PolarHBondContact O-OG 2.78Å; L1125-S1128 CarbonylContact O-C 3.57Å; L1125-S1128 WeakPolarHBondContact O-CA 3.33Å; L1125-S1128 WeakPolarHBondContact O-CB 3.49Å; L1125-S1128 PolarHBondContact O-N 3.41Å; E1126-S1128 PolarHBondContact O-N 3.15Å; S1128-R1131 PolarHBondContact O-N 3.33Å; S1128-R1131 VanDerWaalsContact O-N 3.07Å; S1128-Q1132 PolarHBondContact O-N 3.19Å
1129L70.5Confident67.9Low38 Ų3882 Ų8220%0.19942%0.415CS..Hα-helixtrans-55.9-51.7171.8-71.6170.7000111.8L1125 E1126 R1131 Q1132 T1141 I1142 W1145L1125-L1129 HydrophobicContact CG-CD1 4.45Å; L1125-L1129 PolarHBondContact O-N 2.82Å; E1126-L1129 PolarHBondContact O-N 2.86Å; L1129-R1131 PolarHBondContact O-N 2.62Å; L1129-Q1132 PolarHBondContact O-N 2.74Å; L1129-T1141 WeakPolarHBondContact CD2-OG1 3.41Å; L1129-I1142 HydrophobicContact CD1-CG1 4.35Å; L1129-I1142 HydrophobicContact CD2-CG1 3.8Å; L1129-W1145 HydrophobicContact CD1-CB 3.95Å; L1129-W1145 HydrophobicContact CD1-CG 4.11Å
1130R68.8Low67.3Low124 Ų12487.7 Ų87.747%0.46844%0.441SS..THydrogen-bonded Turntrans-65.40.2177-65.4-174.2-168.8-134.26.8114.2E704 E1126E704-R1130 IonicContact OE1-CZ 2.61Å; E704-R1130 IonicContact OE1-NH1 2.74Å; E704-R1130 PolarHBondContact OE1-NH1 3.2Å; E704-R1130 IonicContact OE1-NH2 2.7Å; E704-R1130 PolarHBondContact OE1-NH2 3.07Å; E704-R1130 IonicContact OE2-CZ 3.55Å; E704-R1130 IonicContact OE2-NH1 3.88Å; E704-R1130 PolarHBondContact OE2-NH1 2.85Å; E704-R1130 IonicContact OE2-NH2 3.91Å; E704-R1130 PolarHBondContact OE2-NH2 2.93Å; E1126-R1130 WeakPolarHBondContact O-CB 3.36Å; E1126-R1130 WeakPolarHBondContact O-CG 3.49Å; E1126-R1130 PolarHBondContact O-N 3.28Å; E1126-R1130 IonicContact OE1-CZ 3.28Å; E1126-R1130 IonicContact OE1-NE 3.46Å; E1126-R1130 PolarHBondContact OE1-NE 3.42Å; E1126-R1130 IonicContact OE1-NH2 3.89Å; E1126-R1130 PolarHBondContact OE1-NH2 3.05Å
1131R66.7Low66.8Low199 Ų19984.8 Ų84.875%0.75143%0.43SS*.THydrogen-bonded Turntrans-113-10.6178.4-77.8178.2178.3168.5-4115.1R1127 S1128 L1129R1127-R1131 WeakPolarHBondContact O-CD 3.39Å; R1127-R1131 WeakPolarHBondContact O-CG 3.49Å; S1128-R1131 PolarHBondContact O-N 3.33Å; S1128-R1131 VanDerWaalsContact O-N 3.07Å; L1129-R1131 PolarHBondContact O-N 2.62Å
1132Q57.6Low66.5Low124 Ų12483.6 Ų83.658%0.57943%0.428SS*.  trans-133.985.6-178.9-64.8-165.535.200111.9S1128 L1129 N1134S1128-Q1132 PolarHBondContact O-N 3.19Å; L1129-Q1132 PolarHBondContact O-N 2.74Å; Q1132-N1134 PolarHBondContact O-N 2.88Å
1133P51.2Low66.3Low110 Ų11089.8 Ų89.871%0.71446%0.457SS*.  trans-70.1-28.2-174.7-22.234.7000115.6
1134N53.6Low66.2Low154 Ų15495 Ų9582%0.82448%0.481SS*.SBendtrans-128.951.9-158.4-67.9-15.9000113.8Q1132Q1132-N1134 PolarHBondContact O-N 2.88Å
1135N53.8Low66.1Low93 Ų9392.8 Ų92.850%0.49747%0.469SS..  trans-142.2150.4174.4-1261.9000111.8D1137 S1138N1135-D1137 VanDerWaalsContact C-N 3.27Å; N1135-D1137 PolarHBondContact O-N 3.22Å; N1135-S1138 VanDerWaalsContact O-CB 3.32Å; N1135-S1138 WeakPolarHBondContact O-CB 3.38Å; N1135-S1138 PolarHBondContact O-N 2.99Å; N1135-S1138 PolarHBondContact O-OG 3.28Å
1136S51.4Low66.2Low96 Ų9695.3 Ų95.367%0.67148%0.482SS*.THydrogen-bonded Turntrans-63.6-27.9-174.848.30000114.6S1138 S1139S1136-S1138 PolarHBondContact O-N 2.85Å; S1136-S1139 PolarHBondContact O-N 3.34Å; S1136-S1139 VanDerWaalsContact O-N 3.14Å
1137D53.1Low66.3Low101 Ų10199.5 Ų99.554%0.5450%0.502SS..THydrogen-bonded Turntrans-65.9-9.5179.9-54.6-0.4000112.5N1135 S1139 T1141N1135-D1137 VanDerWaalsContact C-N 3.27Å; N1135-D1137 PolarHBondContact O-N 3.22Å; D1137-S1139 PolarHBondContact O-N 2.8Å; D1137-T1141 PolarHBondContact O-N 2.77Å; D1137-T1141 PolarHBondContact O-OG1 2.97Å
1138S55.6Low66.4Low44 Ų4495.3 Ų95.331%0.30849%0.488SS..Hα-helixtrans-59.1-29.4169.156.50000113.2N1135 S1136 T1141 I1142N1135-S1138 VanDerWaalsContact O-CB 3.32Å; N1135-S1138 WeakPolarHBondContact O-CB 3.38Å; N1135-S1138 PolarHBondContact O-N 2.99Å; N1135-S1138 PolarHBondContact O-OG 3.28Å; S1136-S1138 PolarHBondContact O-N 2.85Å; S1138-T1141 WeakPolarHBondContact CA-OG1 3.34Å; S1138-T1141 PolarHBondContact O-OG1 3.3Å; S1138-I1142 WeakPolarHBondContact O-CB 3.49Å; S1138-I1142 WeakPolarHBondContact O-CD1 3.49Å; S1138-I1142 WeakPolarHBondContact O-CG1 3.41Å; S1138-I1142 PolarHBondContact O-N 3.17Å
1139S59.4Low66.5Low69 Ų6993.8 Ų93.848%0.48348%0.475SS..Hα-helixtrans-69.3-49.3-178.7-1620000112.2S1136 D1137 I1142 E1143S1136-S1139 PolarHBondContact O-N 3.34Å; S1136-S1139 VanDerWaalsContact O-N 3.14Å; D1137-S1139 PolarHBondContact O-N 2.8Å; S1139-I1142 PolarHBondContact O-N 2.91Å; S1139-E1143 PolarHBondContact O-N 3.43Å
1140E65.9Low66.8Low151 Ų15197.4 Ų97.471%0.70649%0.491SS*.Hα-helixtrans-66.7-39.1179.7-62.8-172.9165.200111I1142 E1143 E1144E1140-I1142 VanDerWaalsContact C-N 3.35Å; E1140-I1142 PolarHBondContact O-N 3.43Å; E1140-E1143 PolarHBondContact O-N 3.23Å; E1140-E1144 PolarHBondContact O-N 2.91Å
1141T69.3Low67.3Low43 Ų4395.4 Ų95.426%0.26449%0.487SS..Hα-helixtrans-71.9-24.1177.549.40000114L1125 L1129 D1137 S1138 W1145L1125-T1141 HydrophobicContact CD1-CG2 4.12Å; L1129-T1141 WeakPolarHBondContact CD2-OG1 3.41Å; D1137-T1141 PolarHBondContact O-N 2.77Å; D1137-T1141 PolarHBondContact O-OG1 2.97Å; S1138-T1141 WeakPolarHBondContact CA-OG1 3.34Å; S1138-T1141 PolarHBondContact O-OG1 3.3Å; T1141-W1145 PolarHBondContact O-N 3.42Å
1142I73.7Confident68Low78 Ų7886.5 Ų86.540%0.445%0.454SS..Hα-helixtrans-73.4-40167.4-73.7166.6000110.9L1129 S1138 S1139 E1140 W1145 I1146L1129-I1142 HydrophobicContact CD1-CG1 4.35Å; L1129-I1142 HydrophobicContact CD2-CG1 3.8Å; S1138-I1142 WeakPolarHBondContact O-CB 3.49Å; S1138-I1142 WeakPolarHBondContact O-CD1 3.49Å; S1138-I1142 WeakPolarHBondContact O-CG1 3.41Å; S1138-I1142 PolarHBondContact O-N 3.17Å; S1139-I1142 PolarHBondContact O-N 2.91Å; E1140-I1142 VanDerWaalsContact C-N 3.35Å; E1140-I1142 PolarHBondContact O-N 3.43Å; I1142-W1145 PolarHBondContact O-N 3.41Å; I1142-I1146 HydrophobicContact CG2-CD1 3.86Å; I1142-I1146 HydrophobicContact CG2-CG1 4.38Å; I1142-I1146 WeakPolarHBondContact O-CG1 3.42Å; I1142-I1146 PolarHBondContact O-N 3.28Å
1143E76.2Confident69Low130 Ų13084.5 Ų84.561%0.60745%0.447SS*.Hα-helixtrans-63.1-40.5175.2-72.7-177.5-167.100111.8S1139 E1140 W1145 I1146 Q1147S1139-E1143 PolarHBondContact O-N 3.43Å; E1140-E1143 PolarHBondContact O-N 3.23Å; E1143-W1145 PolarHBondContact O-N 2.77Å; E1143-I1146 PolarHBondContact O-N 3.23Å; E1143-Q1147 WeakPolarHBondContact O-CB 3.27Å; E1143-Q1147 PolarHBondContact O-N 3.25Å
1144E77.5Confident70.4Confident118 Ų11882 Ų8255%0.55144%0.436SS*.Hα-helixtrans-60.5-40.9170.8-72.7-171156.500112.7L1125 E1140 Q1147 L1148L1125-E1144 HydrophobicContact CD2-CB 3.72Å; E1140-E1144 PolarHBondContact O-N 2.91Å; E1144-Q1147 PolarHBondContact O-N 2.95Å; E1144-L1148 WeakPolarHBondContact O-CG 3.44Å; E1144-L1148 PolarHBondContact O-N 2.87Å
1145W78.2Confident71.7Confident70 Ų7075.7 Ų75.727%0.26540%0.402SS..Hα-helixtrans-68.7-40.5178.5178.194.9000111.8A715 L1125 E1126 L1129 T1141 I1142 E1143 Q1147 L1148 V1149A715-W1145 HydrophobicContact CB-CH2 4.44Å; A715-W1145 HydrophobicContact CB-CZ2 3.6Å; L1125-W1145 HydrophobicContact CD2-CB 3.73Å; L1125-W1145 HydrophobicContact CG-CB 4.33Å; E1126-W1145 PolarHBondContact OE2-NE1 3.32Å; L1129-W1145 HydrophobicContact CD1-CB 3.95Å; L1129-W1145 HydrophobicContact CD1-CG 4.11Å; T1141-W1145 PolarHBondContact O-N 3.42Å; I1142-W1145 PolarHBondContact O-N 3.41Å; E1143-W1145 PolarHBondContact O-N 2.77Å; W1145-Q1147 VanDerWaalsContact C-N 3.32Å; W1145-Q1147 PolarHBondContact O-N 3.24Å; W1145-L1148 PolarHBondContact O-N 3.34Å; W1145-V1149 HydrophobicContact CD2-CG2 4.27Å; W1145-V1149 HydrophobicContact CE3-CG2 4.42Å; W1145-V1149 HydrophobicContact CZ2-CG2 4.42Å; W1145-V1149 WeakPolarHBondContact O-CG2 3.44Å; W1145-V1149 PolarHBondContact O-N 3.09Å
1146I77.6Confident72.7Confident74 Ų7472.8 Ų72.838%0.37939%0.387SS..Hα-helixtrans-60.5-42.5172.9-70.2170000110.5I1142 E1143 V1149 H1150I1142-I1146 HydrophobicContact CG2-CD1 3.86Å; I1142-I1146 HydrophobicContact CG2-CG1 4.38Å; I1142-I1146 WeakPolarHBondContact O-CG1 3.42Å; I1142-I1146 PolarHBondContact O-N 3.28Å; E1143-I1146 PolarHBondContact O-N 3.23Å; I1146-V1149 PolarHBondContact O-N 2.85Å; I1146-H1150 PolarHBondContact O-CD2 2.85Å; I1146-H1150 VanDerWaalsContact O-CD2 3.26Å; I1146-H1150 PolarHBondContact O-N 3.3Å
1147Q79.2Confident74Confident98 Ų9870.4 Ų70.446%0.45837%0.371SS..Hα-helixtrans-63.3-44.7176.7-179.559.826.300112E1143 E1144 W1145 V1149 H1150 E1151E1143-Q1147 WeakPolarHBondContact O-CB 3.27Å; E1143-Q1147 PolarHBondContact O-N 3.25Å; E1144-Q1147 PolarHBondContact O-N 2.95Å; W1145-Q1147 VanDerWaalsContact C-N 3.32Å; W1145-Q1147 PolarHBondContact O-N 3.24Å; Q1147-V1149 VanDerWaalsContact C-N 3.33Å; Q1147-V1149 PolarHBondContact O-N 2.97Å; Q1147-H1150 PolarHBondContact O-N 3.13Å; Q1147-E1151 PolarHBondContact NE2-OE1 2.64Å; Q1147-E1151 WeakPolarHBondContact O-CG 3.23Å; Q1147-E1151 PolarHBondContact O-N 3.24Å
1148L80.3Confident75.4Confident23 Ų2367 Ų6712%0.1235%0.351CS..Hα-helixtrans-62.7-36.7175.6-70.2173.6000112.5L1118 K1121 L1125 E1144 W1145 E1151 K1152L1118-L1148 HydrophobicContact CD2-CD2 3.52Å; K1121-L1148 HydrophobicContact CB-CD1 4.11Å; K1121-L1148 HydrophobicContact CB-CD2 4.35Å; K1121-L1148 HydrophobicContact CD-CD2 4.48Å; L1125-L1148 HydrophobicContact CD2-CD1 3.86Å; E1144-L1148 WeakPolarHBondContact O-CG 3.44Å; E1144-L1148 PolarHBondContact O-N 2.87Å; W1145-L1148 PolarHBondContact O-N 3.34Å; L1148-E1151 PolarHBondContact O-N 3.48Å; L1148-K1152 WeakPolarHBondContact O-CB 3.26Å; L1148-K1152 PolarHBondContact O-N 3.05Å
1149V77.3Confident76.7Confident32 Ų3265.1 Ų65.119%0.19434%0.338CS..Hα-helixtrans-66.9-40.1173.9170.80000111.3V716 W1145 I1146 Q1147 K1152 N1153V716-V1149 HydrophobicContact CG2-CG2 4.06Å; W1145-V1149 HydrophobicContact CD2-CG2 4.27Å; W1145-V1149 HydrophobicContact CE3-CG2 4.42Å; W1145-V1149 HydrophobicContact CZ2-CG2 4.42Å; W1145-V1149 WeakPolarHBondContact O-CG2 3.44Å; W1145-V1149 PolarHBondContact O-N 3.09Å; I1146-V1149 PolarHBondContact O-N 2.85Å; Q1147-V1149 VanDerWaalsContact C-N 3.33Å; Q1147-V1149 PolarHBondContact O-N 2.97Å; V1149-K1152 PolarHBondContact O-N 3.43Å; V1149-N1153 WeakPolarHBondContact O-CB 3.42Å; V1149-N1153 PolarHBondContact O-N 3.38Å; V1149-N1153 PolarHBondContact O-OD1 3.09Å
1150H77Confident77.5Confident115 Ų11563.5 Ų63.553%0.53233%0.326SS..Hα-helixtrans-65.8-41.6174-76.4-50.8000112.7I1146 Q1147 N1153 A1154I1146-H1150 PolarHBondContact O-CD2 2.85Å; I1146-H1150 VanDerWaalsContact O-CD2 3.26Å; I1146-H1150 PolarHBondContact O-N 3.3Å; Q1147-H1150 PolarHBondContact O-N 3.13Å; H1150-N1153 PolarHBondContact O-N 3.17Å; H1150-A1154 WeakPolarHBondContact O-CB 3.43Å; H1150-A1154 PolarHBondContact O-N 2.94Å
1151E79.4Confident78.1Confident82 Ų8259.6 Ų59.638%0.38331%0.311SS..Hα-helixtrans-64-43175.3-73.8177.1-161.300111.9L1118 Q1147 L1148 A1154 L1155L1118-E1151 HydrophobicContact CD1-CB 3.96Å; L1118-E1151 HydrophobicContact CD2-CB 4.29Å; Q1147-E1151 PolarHBondContact NE2-OE1 2.64Å; Q1147-E1151 WeakPolarHBondContact O-CG 3.23Å; Q1147-E1151 PolarHBondContact O-N 3.24Å; L1148-E1151 PolarHBondContact O-N 3.48Å; E1151-A1154 PolarHBondContact O-N 3.38Å; E1151-L1155 WeakPolarHBondContact O-CG 3.27Å; E1151-L1155 PolarHBondContact O-N 2.9Å; E1151-L1155 VanDerWaalsContact O-N 3.08Å
1152K80.9Confident78.7Confident11 Ų1158.3 Ų58.35%0.04830%0.302CS..Hα-helixtrans-56.7-51.7171.6168.2-179.1169.31720111.5A715 V716 R718 Y1115 L1148 V1149 A1154 L1155 V1156A715-K1152 PolarHBondContact O-NZ 3.06Å; V716-K1152 VanDerWaalsContact C-NZ 3.26Å; V716-K1152 HydrophobicContact CG1-CD 4.18Å; V716-K1152 VanDerWaalsContact O-CD 3.29Å; V716-K1152 WeakPolarHBondContact O-CD 3.46Å; V716-K1152 WeakPolarHBondContact O-CE 3.46Å; V716-K1152 PolarHBondContact O-NZ 2.8Å; R718-K1152 PolarHBondContact O-NZ 2.73Å; Y1115-K1152 HydrophobicContact CE2-CG 4.11Å; Y1115-K1152 WeakPolarHBondContact OH-CE 3Å; L1148-K1152 WeakPolarHBondContact O-CB 3.26Å; L1148-K1152 PolarHBondContact O-N 3.05Å; V1149-K1152 PolarHBondContact O-N 3.43Å; K1152-A1154 VanDerWaalsContact C-N 3.3Å; K1152-A1154 PolarHBondContact O-N 3.47Å; K1152-L1155 PolarHBondContact O-N 2.85Å; K1152-L1155 VanDerWaalsContact O-N 3.11Å; K1152-V1156 WeakPolarHBondContact O-CG2 3.38Å; K1152-V1156 PolarHBondContact O-N 2.9Å
1153N78.7Confident78.9Confident83 Ų8357 Ų5744%0.44430%0.295SS..Hα-helixtrans-66.4-34.1-175.8-70.1-2.4000111.8V1149 H1150 V1156 S1157V1149-N1153 WeakPolarHBondContact O-CB 3.42Å; V1149-N1153 PolarHBondContact O-N 3.38Å; V1149-N1153 PolarHBondContact O-OD1 3.09Å; H1150-N1153 PolarHBondContact O-N 3.17Å; N1153-V1156 PolarHBondContact O-N 3.15Å; N1153-S1157 WeakPolarHBondContact O-CB 3.48Å; N1153-S1157 PolarHBondContact O-N 3.32Å
1154A80.8Confident79Confident57 Ų5751.7 Ų51.747%0.47127%0.271SS..Hα-helixtrans-62.6-41.4171.100000112.1H1150 E1151 K1152 E1158H1150-A1154 WeakPolarHBondContact O-CB 3.43Å; H1150-A1154 PolarHBondContact O-N 2.94Å; E1151-A1154 PolarHBondContact O-N 3.38Å; K1152-A1154 VanDerWaalsContact C-N 3.3Å; K1152-A1154 PolarHBondContact O-N 3.47Å; A1154-E1158 VanDerWaalsContact O-CB 3.28Å; A1154-E1158 WeakPolarHBondContact O-CB 3.47Å; A1154-E1158 PolarHBondContact O-N 3.22Å
1155L79.9Confident79Confident21 Ų2149.8 Ų49.811%0.1126%0.262CS..Hα-helixtrans-67.6-32.4174.4-68.2-177.1000113.3I1111 L1118 E1151 K1152 E1159I1111-L1155 HydrophobicContact CG1-CD2 4.16Å; I1111-L1155 HydrophobicContact CG2-CB 4.11Å; L1118-L1155 HydrophobicContact CD1-CD1 3.68Å; E1151-L1155 WeakPolarHBondContact O-CG 3.27Å; E1151-L1155 PolarHBondContact O-N 2.9Å; E1151-L1155 VanDerWaalsContact O-N 3.08Å; K1152-L1155 PolarHBondContact O-N 2.85Å; K1152-L1155 VanDerWaalsContact O-N 3.11Å; L1155-E1159 VanDerWaalsContact O-CB 3.25Å; L1155-E1159 WeakPolarHBondContact O-CB 3.29Å; L1155-E1159 PolarHBondContact O-N 3.09Å
1156V75.8Confident79.1Confident32 Ų3247.4 Ų47.419%0.19426%0.256CS..Hα-helixtrans-70-44.6174.4176.30000111.4L742 Y1115 K1152 N1153 E1158 E1159 S1160L742-V1156 HydrophobicContact CD1-CG1 4.11Å; Y1115-V1156 HydrophobicContact CE2-CG2 3.67Å; K1152-V1156 WeakPolarHBondContact O-CG2 3.38Å; K1152-V1156 PolarHBondContact O-N 2.9Å; N1153-V1156 PolarHBondContact O-N 3.15Å; V1156-E1158 VanDerWaalsContact C-N 3.35Å; V1156-E1159 PolarHBondContact O-N 2.67Å; V1156-S1160 PolarHBondContact O-N 3.11Å
1157S78.4Confident79.1Confident47 Ų4747.8 Ų47.833%0.32925%0.253SS..Hα-helixtrans-56.1-51.4173.1160.30000110N1153 E1159 S1160 D1161N1153-S1157 WeakPolarHBondContact O-CB 3.48Å; N1153-S1157 PolarHBondContact O-N 3.32Å; S1157-E1159 PolarHBondContact O-N 2.68Å; S1157-S1160 PolarHBondContact O-N 3.24Å; S1157-S1160 VanDerWaalsContact O-N 3.14Å; S1157-S1160 PolarHBondContact O-OG 2.6Å; S1157-D1161 PolarHBondContact O-N 2.82Å
1158E83.4Confident79.2Confident28 Ų2845.1 Ų45.113%0.13124%0.241CC..Hα-helixtrans-61.5-39.7177.8-165.9-161.214900113.4R1014 R1107 I1111 A1154 V1156 D1161 L1162R1014-E1158 IonicContact CZ-OE1 3.73Å; R1014-E1158 IonicContact CZ-OE2 2.7Å; R1014-E1158 IonicContact NH1-OE1 3.33Å; R1014-E1158 PolarHBondContact NH1-OE1 3.11Å; R1014-E1158 IonicContact NH1-OE2 2.77Å; R1014-E1158 PolarHBondContact NH1-OE2 2.82Å; R1014-E1158 IonicContact NH2-OE1 3.07Å; R1014-E1158 PolarHBondContact NH2-OE1 2.92Å; R1014-E1158 IonicContact NH2-OE2 3.26Å; R1107-E1158 WeakPolarHBondContact CG-OE1 3.48Å; R1107-E1158 IonicContact CZ-OE1 3.49Å; R1107-E1158 VanDerWaalsContact CZ-OE1 3.27Å; R1107-E1158 IonicContact CZ-OE2 2.81Å; R1107-E1158 IonicContact NE-OE1 2.82Å; R1107-E1158 PolarHBondContact NE-OE1 2.89Å; R1107-E1158 IonicContact NE-OE2 3.63Å; R1107-E1158 IonicContact NH2-OE1 2.68Å; R1107-E1158 PolarHBondContact NH2-OE1 3.26Å; R1107-E1158 IonicContact NH2-OE2 3.79Å; R1107-E1158 PolarHBondContact NH2-OE2 2.97Å; I1111-E1158 HydrophobicContact CD1-CB 4.29Å; I1111-E1158 HydrophobicContact CD1-CG 4.08Å; A1154-E1158 VanDerWaalsContact O-CB 3.28Å; A1154-E1158 WeakPolarHBondContact O-CB 3.47Å; A1154-E1158 PolarHBondContact O-N 3.22Å; V1156-E1158 VanDerWaalsContact C-N 3.35Å; E1158-D1161 PolarHBondContact O-N 3.42Å; E1158-L1162 HydrophobicContact CG-CD1 4.16Å; E1158-L1162 WeakPolarHBondContact O-CB 3.23Å; E1158-L1162 WeakPolarHBondContact O-CD1 3.39Å; E1158-L1162 VanDerWaalsContact O-CG 3.32Å; E1158-L1162 WeakPolarHBondContact O-CG 3.49Å; E1158-L1162 PolarHBondContact O-N 2.9Å
1159E81.1Confident79.2Confident5 Ų544.4 Ų44.42%0.02324%0.237CC..Hα-helixtrans-59.8-45.3173.7168.6162.4-124.200111.3R728 R741 L1108 I1111 L1155 V1156 S1157 D1161 L1162 M1163R728-E1159 IonicContact CZ-OE1 2.71Å; R728-E1159 IonicContact CZ-OE2 2.64Å; R728-E1159 IonicContact NH1-OE1 2.69Å; R728-E1159 IonicContact NH1-OE2 2.67Å; R728-E1159 PolarHBondContact NH1-OE2 3.05Å; R728-E1159 VanDerWaalsContact NH2-CD 3.3Å; R728-E1159 IonicContact NH2-OE1 2.67Å; R728-E1159 PolarHBondContact NH2-OE1 3.28Å; R728-E1159 IonicContact NH2-OE2 3.36Å; R728-E1159 PolarHBondContact NH2-OE2 3.24Å; R728-E1159 VanDerWaalsContact NH2-OE2 3.07Å; R741-E1159 VanDerWaalsContact CD-OE1 3.28Å; R741-E1159 WeakPolarHBondContact CD-OE1 3.26Å; R741-E1159 IonicContact CZ-OE1 2.79Å; R741-E1159 IonicContact NE-OE1 3.44Å; R741-E1159 IonicContact NH1-OE1 2.71Å; R741-E1159 PolarHBondContact NH1-OE1 2.84Å; L1108-E1159 HydrophobicContact CD2-CB 4.36Å; L1108-E1159 HydrophobicContact CD2-CG 4.03Å; I1111-E1159 HydrophobicContact CD1-CB 4.26Å; I1111-E1159 HydrophobicContact CG2-CB 4.24Å; L1155-E1159 VanDerWaalsContact O-CB 3.25Å; L1155-E1159 WeakPolarHBondContact O-CB 3.29Å; L1155-E1159 PolarHBondContact O-N 3.09Å; V1156-E1159 PolarHBondContact O-N 2.67Å; S1157-E1159 PolarHBondContact O-N 2.68Å; E1159-D1161 PolarHBondContact O-N 3.39Å; E1159-L1162 PolarHBondContact O-N 2.87Å; E1159-M1163 WeakPolarHBondContact O-CG 3.47Å; E1159-M1163 PolarHBondContact O-N 3.26Å
1160S75.9Confident79.2Confident35 Ų3546.3 Ų46.325%0.24524%0.243CC..Hα-helixtrans-66.1-35.9178.370.40000113.1V1156 S1157 M1163 V1164 K1223V1156-S1160 PolarHBondContact O-N 3.11Å; S1157-S1160 PolarHBondContact O-N 3.24Å; S1157-S1160 VanDerWaalsContact O-N 3.14Å; S1157-S1160 PolarHBondContact O-OG 2.6Å; S1160-M1163 PolarHBondContact O-N 3.46Å; S1160-V1164 WeakPolarHBondContact O-CG2 3.38Å; S1160-V1164 PolarHBondContact O-N 2.77Å; S1160-V1164 VanDerWaalsContact O-N 3.16Å; S1160-K1223 PolarHBondContact OG-NZ 2.85Å
1161D79.6Confident79.5Confident70 Ų7040.9 Ų40.937%0.37422%0.219SC..Hα-helixtrans-64.9-42.6174.8-66.4-23.9000111.5S1157 E1158 E1159 V1164 E1165 K1223S1157-D1161 PolarHBondContact O-N 2.82Å; E1158-D1161 PolarHBondContact O-N 3.42Å; E1159-D1161 PolarHBondContact O-N 3.39Å; D1161-V1164 PolarHBondContact O-N 2.91Å; D1161-E1165 PolarHBondContact O-N 2.69Å; D1161-K1223 IonicContact OD1-NZ 2.8Å; D1161-K1223 PolarHBondContact OD1-NZ 3.2Å
1162L81.4Confident79.5Confident15 Ų1539.7 Ų39.78%0.07921%0.213CC..Hα-helixtrans-69.9-33.2179-73.8166000112.9I1104 R1107 L1108 I1111 E1158 E1159 E1165 S1166I1104-L1162 HydrophobicContact CB-CD2 4.48Å; I1104-L1162 HydrophobicContact CG1-CD2 4.35Å; I1104-L1162 HydrophobicContact CG2-CB 4.17Å; I1104-L1162 HydrophobicContact CG2-CD2 4.2Å; I1104-L1162 WeakPolarHBondContact CG2-O 3.28Å; R1107-L1162 HydrophobicContact CB-CD1 3.94Å; R1107-L1162 HydrophobicContact CG-CD1 3.58Å; L1108-L1162 HydrophobicContact CD2-CB 3.6Å; L1108-L1162 HydrophobicContact CD2-CD1 4.12Å; L1108-L1162 HydrophobicContact CG-CB 4.02Å; L1108-L1162 HydrophobicContact CG-CD1 4.41Å; I1111-L1162 HydrophobicContact CD1-CD1 3.52Å; E1158-L1162 HydrophobicContact CG-CD1 4.16Å; E1158-L1162 WeakPolarHBondContact O-CB 3.23Å; E1158-L1162 WeakPolarHBondContact O-CD1 3.39Å; E1158-L1162 VanDerWaalsContact O-CG 3.32Å; E1158-L1162 WeakPolarHBondContact O-CG 3.49Å; E1158-L1162 PolarHBondContact O-N 2.9Å; E1159-L1162 PolarHBondContact O-N 2.87Å; L1162-E1165 PolarHBondContact O-N 3.24Å; L1162-S1166 PolarHBondContact O-N 3.03Å
1163M77.8Confident79.5Confident52 Ų5241.3 Ų41.326%0.25622%0.222SC..Hα-helixtrans-63.7-43.9171.1-72.3-62.9-59.300111.1L1108 E1159 S1160 S1166 R1167L1108-M1163 HydrophobicContact CD1-SD 3.97Å; L1108-M1163 HydrophobicContact CD2-CG 4.47Å; E1159-M1163 WeakPolarHBondContact O-CG 3.47Å; E1159-M1163 PolarHBondContact O-N 3.26Å; S1160-M1163 PolarHBondContact O-N 3.46Å; M1163-S1166 WeakPolarHBondContact O-CB 3.33Å; M1163-S1166 PolarHBondContact O-N 3.07Å; M1163-R1167 PolarHBondContact O-N 3.15Å
1164V79.2Confident79.5Confident18 Ų1842 Ų4211%0.10922%0.221CC..Hα-helixtrans-65.3-41.5174.9173.30000111.6S1160 D1161 S1166 R1167 Q1168 L1216 F1219 L1220S1160-V1164 WeakPolarHBondContact O-CG2 3.38Å; S1160-V1164 PolarHBondContact O-N 2.77Å; S1160-V1164 VanDerWaalsContact O-N 3.16Å; D1161-V1164 PolarHBondContact O-N 2.91Å; V1164-S1166 PolarHBondContact O-N 2.86Å; V1164-R1167 PolarHBondContact O-N 2.99Å; V1164-Q1168 WeakPolarHBondContact O-CB 3.36Å; V1164-Q1168 PolarHBondContact O-N 2.91Å; V1164-L1216 HydrophobicContact CG1-CD1 3.88Å; V1164-L1216 HydrophobicContact CG1-CD2 4.12Å; V1164-L1216 HydrophobicContact CG1-CG 3.91Å; V1164-L1216 HydrophobicContact CG2-CD1 4.41Å; V1164-F1219 HydrophobicContact CG2-CD1 4.38Å; V1164-F1219 HydrophobicContact CG2-CE1 4.01Å; V1164-L1220 HydrophobicContact CB-CD2 4.44Å; V1164-L1220 HydrophobicContact CG1-CD1 3.71Å; V1164-L1220 HydrophobicContact CG1-CD2 3.8Å; V1164-L1220 HydrophobicContact CG1-CG 3.8Å
1165E77.2Confident79.6Confident77 Ų7743.7 Ų43.736%0.3622%0.215SC..Hα-helixtrans-63.1-31.4175.7-162.3178.9-162.800112.2K1100 I1104 D1161 L1162 L1169K1100-E1165 WeakPolarHBondContact CE-OE1 3.49Å; K1100-E1165 IonicContact NZ-OE1 2.68Å; K1100-E1165 PolarHBondContact NZ-OE1 2.84Å; I1104-E1165 HydrophobicContact CD1-CB 4.11Å; I1104-E1165 HydrophobicContact CD1-CG 3.85Å; I1104-E1165 HydrophobicContact CG1-CG 4.41Å; D1161-E1165 PolarHBondContact O-N 2.69Å; L1162-E1165 PolarHBondContact O-N 3.24Å; E1165-L1169 WeakPolarHBondContact O-CB 3.43Å; E1165-L1169 PolarHBondContact O-N 3.34Å
1166S79.8Confident79.5Confident20 Ų2044.8 Ų44.814%0.1423%0.225CC..Hα-helixtrans-66.4-49.1170.8-163.90000111.6L1162 M1163 V1164 Q1168 L1169 E1170L1162-S1166 PolarHBondContact O-N 3.03Å; M1163-S1166 WeakPolarHBondContact O-CB 3.33Å; M1163-S1166 PolarHBondContact O-N 3.07Å; V1164-S1166 PolarHBondContact O-N 2.86Å; S1166-Q1168 PolarHBondContact O-N 2.85Å; S1166-L1169 WeakPolarHBondContact O-CB 3.41Å; S1166-L1169 PolarHBondContact O-N 3.27Å; S1166-L1169 VanDerWaalsContact O-N 3.09Å; S1166-E1170 PolarHBondContact O-N 2.68Å
1167R77.9Confident79.6Confident83 Ų8346.2 Ų46.231%0.31323%0.233SC..Hα-helixtrans-65.2-39.7-178.2-173.452.1163.1-149.3-12.6112.7M1163 V1164 L1169 E1170 L1171 L1216M1163-R1167 PolarHBondContact O-N 3.15Å; V1164-R1167 PolarHBondContact O-N 2.99Å; R1167-L1169 VanDerWaalsContact C-N 3.27Å; R1167-L1169 PolarHBondContact O-N 3.21Å; R1167-E1170 VanDerWaalsContact CD-OE2 3.23Å; R1167-E1170 WeakPolarHBondContact CD-OE2 3.29Å; R1167-E1170 IonicContact CZ-OE2 3.84Å; R1167-E1170 IonicContact NE-OE2 2.66Å; R1167-E1170 IonicContact NH1-OE2 3.17Å; R1167-E1170 PolarHBondContact NH1-OE2 3.07Å; R1167-E1170 WeakPolarHBondContact O-CB 3.48Å; R1167-E1170 PolarHBondContact O-N 2.87Å; R1167-L1171 HydrophobicContact CG-CD1 4.37Å; R1167-L1171 WeakPolarHBondContact O-CG 3.38Å; R1167-L1171 PolarHBondContact O-N 3.27Å; R1167-L1216 HydrophobicContact CB-CD2 4.11Å; R1167-L1216 HydrophobicContact CG-CD2 4.08Å
1168Q80.8Confident79.9Confident42 Ų4245 Ų4520%0.19622%0.223CC..Hα-helixtrans-54.9-44.8170.8174.563.920.700111.1V1164 S1166 L1171 E1172 M1213 L1216V1164-Q1168 WeakPolarHBondContact O-CB 3.36Å; V1164-Q1168 PolarHBondContact O-N 2.91Å; S1166-Q1168 PolarHBondContact O-N 2.85Å; Q1168-L1171 PolarHBondContact O-N 3.38Å; Q1168-E1172 WeakPolarHBondContact CG-OE1 3.27Å; Q1168-E1172 PolarHBondContact NE2-OE1 2.87Å; Q1168-E1172 WeakPolarHBondContact O-CB 3.45Å; Q1168-E1172 WeakPolarHBondContact O-CG 3.4Å; Q1168-E1172 PolarHBondContact O-N 3.46Å; Q1168-M1213 VanDerWaalsContact NE2-CE 3.3Å; Q1168-L1216 HydrophobicContact CB-CD2 3.97Å
1169L80.9Confident79.8Confident8 Ų846.5 Ų46.54%0.04223%0.23CC..Hα-helixtrans-71.8-32.2-178.1-168.361.9000113.2R1097 K1100 A1101 I1104 E1165 S1166 R1167 D1173R1097-L1169 HydrophobicContact CB-CD1 3.88Å; R1097-L1169 HydrophobicContact CG-CD1 3.86Å; K1100-L1169 HydrophobicContact CB-CD2 4.47Å; K1100-L1169 HydrophobicContact CD-CD1 4.23Å; K1100-L1169 HydrophobicContact CG-CD2 4.5Å; A1101-L1169 HydrophobicContact CB-CD2 3.66Å; I1104-L1169 HydrophobicContact CD1-CD2 4.15Å; E1165-L1169 WeakPolarHBondContact O-CB 3.43Å; E1165-L1169 PolarHBondContact O-N 3.34Å; S1166-L1169 WeakPolarHBondContact O-CB 3.41Å; S1166-L1169 PolarHBondContact O-N 3.27Å; S1166-L1169 VanDerWaalsContact O-N 3.09Å; R1167-L1169 VanDerWaalsContact C-N 3.27Å; R1167-L1169 PolarHBondContact O-N 3.21Å; L1169-D1173 PolarHBondContact O-N 2.95Å; L1169-D1173 VanDerWaalsContact O-N 3.13Å
1170E78.1Confident79.6Confident71 Ų7149.2 Ų49.233%0.33225%0.245SC..Hα-helixtrans-63.4-46.4170.1-71.9165.4-158.300111.7S1166 R1167 D1173 K1174S1166-E1170 PolarHBondContact O-N 2.68Å; R1167-E1170 VanDerWaalsContact CD-OE2 3.23Å; R1167-E1170 WeakPolarHBondContact CD-OE2 3.29Å; R1167-E1170 IonicContact CZ-OE2 3.84Å; R1167-E1170 IonicContact NE-OE2 2.66Å; R1167-E1170 IonicContact NH1-OE2 3.17Å; R1167-E1170 PolarHBondContact NH1-OE2 3.07Å; R1167-E1170 WeakPolarHBondContact O-CB 3.48Å; R1167-E1170 PolarHBondContact O-N 2.87Å; E1170-D1173 PolarHBondContact O-N 2.95Å; E1170-K1174 WeakPolarHBondContact O-CG 3.48Å; E1170-K1174 PolarHBondContact O-N 3.39Å
1171L82.6Confident79.9Confident2 Ų250.7 Ų50.71%0.0125%0.248CC..Hα-helixtrans-65.9-40.4178.1-66.1168.4000111.3R1167 Q1168 D1173 K1174 R1175 V1209 M1212 M1213 L1216R1167-L1171 HydrophobicContact CG-CD1 4.37Å; R1167-L1171 WeakPolarHBondContact O-CG 3.38Å; R1167-L1171 PolarHBondContact O-N 3.27Å; Q1168-L1171 PolarHBondContact O-N 3.38Å; L1171-D1173 VanDerWaalsContact C-N 3.29Å; L1171-D1173 PolarHBondContact O-N 3.39Å; L1171-K1174 HydrophobicContact CD2-CD 4.48Å; L1171-K1174 PolarHBondContact O-N 3.26Å; L1171-R1175 VanDerWaalsContact O-CB 3.26Å; L1171-R1175 WeakPolarHBondContact O-CB 3.23Å; L1171-R1175 PolarHBondContact O-N 3.01Å; L1171-V1209 HydrophobicContact CB-CG1 4.28Å; L1171-V1209 HydrophobicContact CD2-CG1 4.15Å; L1171-V1209 WeakPolarHBondContact O-CG1 3.2Å; L1171-M1212 HydrophobicContact CD1-CB 4.09Å; L1171-M1212 HydrophobicContact CD2-CB 3.74Å; L1171-M1212 HydrophobicContact CD2-CE 4.12Å; L1171-M1212 HydrophobicContact CD2-SD 4.03Å; L1171-M1213 HydrophobicContact CB-CG 3.54Å; L1171-M1213 HydrophobicContact CB-SD 4.1Å; L1171-M1213 HydrophobicContact CD1-CG 3.78Å; L1171-M1213 HydrophobicContact CG-CG 4.22Å; L1171-L1216 HydrophobicContact CD1-CD2 4.26Å
1172E80.3Confident80Confident56 Ų5650.5 Ų50.526%0.26224%0.242SC..Hα-helixtrans-58.1-36.3171.8-77.1173.1-162.300112.9Q1168 S1176 M1213Q1168-E1172 WeakPolarHBondContact CG-OE1 3.27Å; Q1168-E1172 PolarHBondContact NE2-OE1 2.87Å; Q1168-E1172 WeakPolarHBondContact O-CB 3.45Å; Q1168-E1172 WeakPolarHBondContact O-CG 3.4Å; Q1168-E1172 PolarHBondContact O-N 3.46Å; E1172-S1176 WeakPolarHBondContact O-CB 3.37Å; E1172-S1176 PolarHBondContact O-N 3.24Å; E1172-M1213 HydrophobicContact CG-CE 3.86Å
1173D78.9Confident79.9Confident45 Ų4555.8 Ų55.824%0.24126%0.261CS..Hα-helixtrans-82.5-36.6178.2-158.948000114.1R1097 L1169 E1170 L1171 S1176 T1177R1097-D1173 IonicContact CZ-OD1 3.3Å; R1097-D1173 VanDerWaalsContact NH1-CA 3.35Å; R1097-D1173 IonicContact NH1-OD1 2.87Å; R1097-D1173 PolarHBondContact NH1-OD1 3.36Å; R1097-D1173 IonicContact NH2-OD1 2.81Å; L1169-D1173 PolarHBondContact O-N 2.95Å; L1169-D1173 VanDerWaalsContact O-N 3.13Å; E1170-D1173 PolarHBondContact O-N 2.95Å; L1171-D1173 VanDerWaalsContact C-N 3.29Å; L1171-D1173 PolarHBondContact O-N 3.39Å; D1173-S1176 PolarHBondContact O-N 3.42Å; D1173-T1177 WeakPolarHBondContact O-CB 3.42Å; D1173-T1177 PolarHBondContact O-N 3.37Å; D1173-T1177 PolarHBondContact O-OG1 3.39Å
1174K79.1Confident80Confident97 Ų9757.7 Ų57.742%0.42227%0.268SS..Hα-helixtrans-54.1-54.2166.5-74.9-178.4178.7-175.20109.9E1170 L1171 S1176 T1177 L1178 V1209E1170-K1174 WeakPolarHBondContact O-CG 3.48Å; E1170-K1174 PolarHBondContact O-N 3.39Å; L1171-K1174 HydrophobicContact CD2-CD 4.48Å; L1171-K1174 PolarHBondContact O-N 3.26Å; K1174-S1176 PolarHBondContact O-N 3.45Å; K1174-T1177 WeakPolarHBondContact O-CB 3.47Å; K1174-T1177 PolarHBondContact O-N 3.2Å; K1174-T1177 VanDerWaalsContact O-N 3.13Å; K1174-L1178 WeakPolarHBondContact O-CG 3.33Å; K1174-L1178 PolarHBondContact O-N 3.35Å; K1174-V1209 HydrophobicContact CB-CG1 4.21Å; K1174-V1209 HydrophobicContact CB-CG2 4.18Å; K1174-V1209 HydrophobicContact CD-CG2 4.38Å
1175R82.6Confident80Confident94 Ų9458.1 Ų58.136%0.35527%0.269SS..Hα-helixtrans-59.9-47.1177.9-175-179.8156.7171.1-0.7112.1L1171 T1177 L1178 E1179 V1209L1171-R1175 VanDerWaalsContact O-CB 3.26Å; L1171-R1175 WeakPolarHBondContact O-CB 3.23Å; L1171-R1175 PolarHBondContact O-N 3.01Å; R1175-T1177 PolarHBondContact O-N 2.91Å; R1175-L1178 PolarHBondContact O-N 2.92Å; R1175-E1179 HydrophobicContact CG-CG 4.3Å; R1175-E1179 IonicContact CZ-OE1 2.67Å; R1175-E1179 VanDerWaalsContact CZ-OE1 3.3Å; R1175-E1179 IonicContact NE-OE1 2.66Å; R1175-E1179 PolarHBondContact NE-OE1 2.82Å; R1175-E1179 IonicContact NH2-OE1 2.86Å; R1175-E1179 PolarHBondContact NH2-OE1 3.35Å; R1175-E1179 WeakPolarHBondContact O-CB 3.33Å; R1175-E1179 WeakPolarHBondContact O-CG 3.45Å; R1175-E1179 PolarHBondContact O-N 3.45Å; R1175-V1209 HydrophobicContact CB-CG1 3.82Å
1176S77.9Confident79.9Confident44 Ų4459.5 Ų59.531%0.30828%0.277SS..Hα-helixtrans-60.9-26.8177.5179.10000113.1R1097 E1172 D1173 K1174 L1180R1097-S1176 PolarHBondContact NH2-OG 2.91Å; R1097-S1176 VanDerWaalsContact NH2-OG 3.07Å; E1172-S1176 WeakPolarHBondContact O-CB 3.37Å; E1172-S1176 PolarHBondContact O-N 3.24Å; D1173-S1176 PolarHBondContact O-N 3.42Å; K1174-S1176 PolarHBondContact O-N 3.45Å; S1176-L1180 WeakPolarHBondContact O-CB 3.5Å
1177T79.3Confident79.8Confident61 Ų6165.5 Ų65.537%0.37430%0.303SS..Hα-helixtrans-81.1-47.7177.6-62.40000111.1D1173 K1174 R1175 L1180 E1181D1173-T1177 WeakPolarHBondContact O-CB 3.42Å; D1173-T1177 PolarHBondContact O-N 3.37Å; D1173-T1177 PolarHBondContact O-OG1 3.39Å; K1174-T1177 WeakPolarHBondContact O-CB 3.47Å; K1174-T1177 PolarHBondContact O-N 3.2Å; K1174-T1177 VanDerWaalsContact O-N 3.13Å; R1175-T1177 PolarHBondContact O-N 2.91Å; T1177-L1180 WeakPolarHBondContact O-CB 3.38Å; T1177-L1180 PolarHBondContact O-N 3.23Å; T1177-L1180 VanDerWaalsContact O-N 3.13Å; T1177-E1181 PolarHBondContact O-N 3.44Å; T1177-E1181 VanDerWaalsContact O-N 3.11Å
1178L84.2Confident80.1Confident23 Ų2364.2 Ų64.212%0.1230%0.302CS..Hα-helixtrans-62.6-45.4177-65.9167.7000111.9K1174 R1175 L1180 E1181 Y1182 I1202 Q1205 I1206 V1209K1174-L1178 WeakPolarHBondContact O-CG 3.33Å; K1174-L1178 PolarHBondContact O-N 3.35Å; R1175-L1178 PolarHBondContact O-N 2.92Å; L1178-L1180 PolarHBondContact O-N 2.88Å; L1178-E1181 WeakPolarHBondContact O-CA 3.47Å; L1178-E1181 PolarHBondContact O-N 2.99Å; L1178-Y1182 WeakPolarHBondContact O-CB 3.33Å; L1178-Y1182 PolarHBondContact O-N 3Å; L1178-I1202 HydrophobicContact CB-CG2 4.27Å; L1178-I1202 HydrophobicContact CD2-CG2 4.22Å; L1178-Q1205 HydrophobicContact CD1-CB 3.88Å; L1178-Q1205 HydrophobicContact CD2-CB 4.2Å; L1178-I1206 HydrophobicContact CB-CD1 4.02Å; L1178-I1206 HydrophobicContact CB-CG1 3.51Å; L1178-I1206 HydrophobicContact CD1-CG1 4.23Å; L1178-I1206 HydrophobicContact CG-CG1 4.49Å; L1178-V1209 HydrophobicContact CD1-CG2 4.08Å
1179E81.3Confident79.6Confident58 Ų5871.9 Ų71.927%0.27133%0.334SS..Hα-helixtrans-57.8-33.7173.6-80.1-168.4-161.700112.4R1175 E1181 R1183 I1206R1175-E1179 HydrophobicContact CG-CG 4.3Å; R1175-E1179 IonicContact CZ-OE1 2.67Å; R1175-E1179 VanDerWaalsContact CZ-OE1 3.3Å; R1175-E1179 IonicContact NE-OE1 2.66Å; R1175-E1179 PolarHBondContact NE-OE1 2.82Å; R1175-E1179 IonicContact NH2-OE1 2.86Å; R1175-E1179 PolarHBondContact NH2-OE1 3.35Å; R1175-E1179 WeakPolarHBondContact O-CB 3.33Å; R1175-E1179 WeakPolarHBondContact O-CG 3.45Å; R1175-E1179 PolarHBondContact O-N 3.45Å; E1179-E1181 VanDerWaalsContact C-N 3.3Å; E1179-R1183 WeakPolarHBondContact O-CB 3.39Å; E1179-R1183 PolarHBondContact O-N 3.04Å; E1179-R1183 VanDerWaalsContact O-N 3.09Å; E1179-R1183 IonicContact OE2-NH2 3.52Å; E1179-I1206 HydrophobicContact CG-CD1 4.42Å
1180L77.3Confident79.5Confident63 Ų6378.6 Ų78.633%0.3337%0.371SS..Hα-helixtrans-75.8-19176.6-178.261.7000112.2S1176 T1177 L1178 K1184S1176-L1180 WeakPolarHBondContact O-CB 3.5Å; T1177-L1180 WeakPolarHBondContact O-CB 3.38Å; T1177-L1180 PolarHBondContact O-N 3.23Å; T1177-L1180 VanDerWaalsContact O-N 3.13Å; L1178-L1180 PolarHBondContact O-N 2.88Å; L1180-K1184 WeakPolarHBondContact O-CD 3.42Å; L1180-K1184 WeakPolarHBondContact O-CE 3.46Å; L1180-K1184 VanDerWaalsContact O-CG 3.25Å; L1180-K1184 WeakPolarHBondContact O-CG 3.49Å; L1180-K1184 PolarHBondContact O-NZ 3.44Å
1181E80.8Confident79.6Confident66 Ų6678.2 Ų78.231%0.30837%0.368SS..Hα-helixtrans-91.4-44.7176.1-77.2-177.7170.800112.1T1177 L1178 E1179 R1183 K1184 L1185 I1202T1177-E1181 PolarHBondContact O-N 3.44Å; T1177-E1181 VanDerWaalsContact O-N 3.11Å; L1178-E1181 WeakPolarHBondContact O-CA 3.47Å; L1178-E1181 PolarHBondContact O-N 2.99Å; E1179-E1181 VanDerWaalsContact C-N 3.3Å; E1181-R1183 VanDerWaalsContact C-N 3.27Å; E1181-R1183 PolarHBondContact O-N 3.3Å; E1181-K1184 HydrophobicContact CG-CD 4.2Å; E1181-K1184 WeakPolarHBondContact O-CB 3.35Å; E1181-K1184 PolarHBondContact O-N 2.99Å; E1181-K1184 IonicContact OE1-NZ 3.48Å; E1181-K1184 PolarHBondContact OE1-NZ 3.15Å; E1181-L1185 PolarHBondContact O-N 3Å; E1181-L1185 VanDerWaalsContact O-N 3.17Å; E1181-I1202 HydrophobicContact CB-CD1 4.15Å
1182Y82.5Confident79.9Confident66 Ų6680.8 Ų80.826%0.25938%0.383SS..Hα-helixtrans-50.5-46.2166.7-169.5-105.4000112L1178 K1184 L1185 M1186 E1199 I1202 F1203 I1206L1178-Y1182 WeakPolarHBondContact O-CB 3.33Å; L1178-Y1182 PolarHBondContact O-N 3Å; Y1182-K1184 PolarHBondContact O-N 2.91Å; Y1182-L1185 PolarHBondContact O-N 2.66Å; Y1182-L1185 VanDerWaalsContact O-N 3.16Å; Y1182-M1186 HydrophobicContact CD1-CG 4.21Å; Y1182-M1186 HydrophobicContact CE1-CG 3.87Å; Y1182-M1186 PolarHBondContact O-N 3.13Å; Y1182-E1199 HydrophobicContact CD2-CG 3.98Å; Y1182-E1199 HydrophobicContact CE2-CG 3.53Å; Y1182-I1202 HydrophobicContact CD2-CG2 4.44Å; Y1182-F1203 HydrophobicContact CD2-CB 4.31Å; Y1182-F1203 HydrophobicContact CE2-CB 3.85Å; Y1182-F1203 HydrophobicContact CE2-CD2 4.05Å; Y1182-F1203 HydrophobicContact CE2-CG 4.38Å; Y1182-I1206 HydrophobicContact CG-CD1 4.28Å
1183R80.3Confident79.9Confident125 Ų12583.1 Ų83.147%0.47240%0.404SS..Hα-helixtrans-63.1-35.8178.4-167172.7-61.8119.17.3113.5E1179 E1181 L1185 M1186 E1187E1179-R1183 WeakPolarHBondContact O-CB 3.39Å; E1179-R1183 PolarHBondContact O-N 3.04Å; E1179-R1183 VanDerWaalsContact O-N 3.09Å; E1179-R1183 IonicContact OE2-NH2 3.52Å; E1181-R1183 VanDerWaalsContact C-N 3.27Å; E1181-R1183 PolarHBondContact O-N 3.3Å; R1183-L1185 VanDerWaalsContact C-N 3.34Å; R1183-M1186 PolarHBondContact O-N 3.5Å; R1183-E1187 WeakPolarHBondContact O-CG 3.26Å; R1183-E1187 PolarHBondContact O-N 3.35Å; R1183-E1187 VanDerWaalsContact O-N 3.17Å
1184K78.9Confident80Confident92 Ų9287.8 Ų87.840%0.442%0.424SS..Hα-helixtrans-66.5-36.4175-65.3159.3-163.41490111.6L1180 E1181 Y1182L1180-K1184 WeakPolarHBondContact O-CD 3.42Å; L1180-K1184 WeakPolarHBondContact O-CE 3.46Å; L1180-K1184 VanDerWaalsContact O-CG 3.25Å; L1180-K1184 WeakPolarHBondContact O-CG 3.49Å; L1180-K1184 PolarHBondContact O-NZ 3.44Å; E1181-K1184 HydrophobicContact CG-CD 4.2Å; E1181-K1184 WeakPolarHBondContact O-CB 3.35Å; E1181-K1184 PolarHBondContact O-N 2.99Å; E1181-K1184 IonicContact OE1-NZ 3.48Å; E1181-K1184 PolarHBondContact OE1-NZ 3.15Å; Y1182-K1184 PolarHBondContact O-N 2.91Å
1185L79.5Confident80Confident27 Ų2785.8 Ų85.814%0.14142%0.416CS..Hα-helixtrans-73.5-40.7177.6-64.5178.4000111.2E1181 Y1182 R1183 E1187 I1188 K1191 E1198 E1199 I1202E1181-L1185 PolarHBondContact O-N 3Å; E1181-L1185 VanDerWaalsContact O-N 3.17Å; Y1182-L1185 PolarHBondContact O-N 2.66Å; Y1182-L1185 VanDerWaalsContact O-N 3.16Å; R1183-L1185 VanDerWaalsContact C-N 3.34Å; L1185-E1187 PolarHBondContact O-N 2.87Å; L1185-I1188 HydrophobicContact CD2-CD1 4.03Å; L1185-I1188 VanDerWaalsContact O-CB 3.29Å; L1185-I1188 WeakPolarHBondContact O-CB 3.43Å; L1185-I1188 PolarHBondContact O-N 2.79Å; L1185-K1191 WeakPolarHBondContact O-CE 3.17Å; L1185-E1198 HydrophobicContact CD1-CB 4.36Å; L1185-E1198 HydrophobicContact CD1-CG 4.16Å; L1185-E1199 HydrophobicContact CB-CB 4.4Å; L1185-E1199 HydrophobicContact CD1-CB 4.01Å; L1185-I1202 HydrophobicContact CD1-CD1 3.86Å
1186M75.8Confident79.9Confident107 Ų10784.9 Ų84.953%0.52742%0.416SS..Hα-helixtrans-61.7-25.1173.5-81.8-71.2-81.200114.2Y1182 R1183 I1188 E1199Y1182-M1186 HydrophobicContact CD1-CG 4.21Å; Y1182-M1186 HydrophobicContact CE1-CG 3.87Å; Y1182-M1186 PolarHBondContact O-N 3.13Å; R1183-M1186 PolarHBondContact O-N 3.5Å; M1186-I1188 VanDerWaalsContact C-N 3.25Å; M1186-I1188 PolarHBondContact O-N 3.48Å; M1186-E1199 VanDerWaalsContact CG-OE1 3.27Å; M1186-E1199 WeakPolarHBondContact CG-OE1 3.32Å
1187E76.7Confident80.2Confident145 Ų14588 Ų8868%0.67843%0.426SS*.THydrogen-bonded Turntrans-74.2-12.1173-75.1169.6-160.200113.3R1183 L1185R1183-E1187 WeakPolarHBondContact O-CG 3.26Å; R1183-E1187 PolarHBondContact O-N 3.35Å; R1183-E1187 VanDerWaalsContact O-N 3.17Å; L1185-E1187 PolarHBondContact O-N 2.87Å
1188I83.6Confident80.4Confident56 Ų5689 Ų8929%0.28743%0.426SS..  trans-82.8114.9176.2-54.4175.8000109.6L1185 M1186 K1191L1185-I1188 HydrophobicContact CD2-CD1 4.03Å; L1185-I1188 VanDerWaalsContact O-CB 3.29Å; L1185-I1188 WeakPolarHBondContact O-CB 3.43Å; L1185-I1188 PolarHBondContact O-N 2.79Å; M1186-I1188 VanDerWaalsContact C-N 3.25Å; M1186-I1188 PolarHBondContact O-N 3.48Å; I1188-K1191 HydrophobicContact CB-CG 4.15Å; I1188-K1191 HydrophobicContact CG2-CG 4.07Å; I1188-K1191 WeakPolarHBondContact O-CE 3.27Å
1189K71.3Confident80.4Confident203 Ų20388.2 Ų88.288%0.88342%0.422SS*.SBendtrans-76.1-34.6-178.4-64.8-170.4175.8-171.60114.5
1190D78.3Confident80.5Confident150 Ų15089.5 Ų89.580%0.80243%0.431SS*.SBendtrans-116.786.7-180-59.4-46.3000108.3
1191K81.4Confident81.1Confident62 Ų6291.2 Ų91.227%0.2743%0.433SS..  trans-81.3140-177.2-65169.6179.8171.10111.5L1185 I1188 Q1195 E1199L1185-K1191 WeakPolarHBondContact O-CE 3.17Å; I1188-K1191 HydrophobicContact CB-CG 4.15Å; I1188-K1191 HydrophobicContact CG2-CG 4.07Å; I1188-K1191 WeakPolarHBondContact O-CE 3.27Å; K1191-Q1195 HydrophobicContact CB-CB 4.39Å; K1191-E1199 WeakPolarHBondContact CE-OE2 3.43Å; K1191-E1199 IonicContact NZ-OE1 2.66Å; K1191-E1199 PolarHBondContact NZ-OE1 3.27Å; K1191-E1199 IonicContact NZ-OE2 2.64Å; K1191-E1199 PolarHBondContact NZ-OE2 3.33Å
1192T87.6Confident81.4Confident56 Ų5688.7 Ų88.734%0.34442%0.421SS..  trans-75.7158.1164.9660000110.3E1194 Q1195 Q1196T1192-E1194 PolarHBondContact O-N 2.95Å; T1192-Q1195 WeakPolarHBondContact O-CB 3.44Å; T1192-Q1195 PolarHBondContact O-N 2.8Å; T1192-Q1195 VanDerWaalsContact OG1-CG 3.29Å; T1192-Q1195 WeakPolarHBondContact OG1-CG 3.38Å; T1192-Q1195 PolarHBondContact OG1-N 3.17Å; T1192-Q1195 PolarHBondContact OG1-OE1 3.17Å; T1192-Q1196 PolarHBondContact O-N 3Å
1193P81.6Confident81.6Confident106 Ų10689.6 Ų89.669%0.68843%0.427SS*.Hα-helixtrans-56-39174.221.3-33.4000112.2Q1195 Q1196 E1197P1193-Q1195 VanDerWaalsContact C-N 3.28Å; P1193-Q1195 PolarHBondContact O-N 3.47Å; P1193-Q1196 WeakPolarHBondContact O-CB 3.44Å; P1193-Q1196 PolarHBondContact O-N 3.5Å; P1193-Q1196 VanDerWaalsContact O-N 3.12Å; P1193-E1197 WeakPolarHBondContact O-CB 3.44Å; P1193-E1197 PolarHBondContact O-N 3.43Å
1194E80.3Confident81.8Confident143 Ų14388.1 Ų88.167%0.66843%0.428SS*.Hα-helixtrans-58.6-36.7174.4-58.4155.3177.800112.5T1192 E1198T1192-E1194 PolarHBondContact O-N 2.95Å; E1194-E1198 WeakPolarHBondContact O-CB 3.41Å; E1194-E1198 PolarHBondContact O-N 2.9Å; E1194-E1198 VanDerWaalsContact O-N 3.08Å
1195Q78.7Confident82.2Confident54 Ų5487.7 Ų87.725%0.25243%0.428SS..Hα-helixtrans-78.2-29.9176.3-72.7169.9-29.700112.7K1191 T1192 P1193 E1199K1191-Q1195 HydrophobicContact CB-CB 4.39Å; T1192-Q1195 WeakPolarHBondContact O-CB 3.44Å; T1192-Q1195 PolarHBondContact O-N 2.8Å; T1192-Q1195 VanDerWaalsContact OG1-CG 3.29Å; T1192-Q1195 WeakPolarHBondContact OG1-CG 3.38Å; T1192-Q1195 PolarHBondContact OG1-N 3.17Å; T1192-Q1195 PolarHBondContact OG1-OE1 3.17Å; P1193-Q1195 VanDerWaalsContact C-N 3.28Å; P1193-Q1195 PolarHBondContact O-N 3.47Å; Q1195-E1199 VanDerWaalsContact O-CB 3.3Å; Q1195-E1199 WeakPolarHBondContact O-CB 3.47Å; Q1195-E1199 PolarHBondContact O-N 3.26Å
1196Q80.3Confident82.5Confident76 Ų7687.4 Ų87.436%0.35543%0.426SS..Hα-helixtrans-71.9-37.5174.3-168.359.267.900111.1T1192 P1193 E1199 N1200T1192-Q1196 PolarHBondContact O-N 3Å; P1193-Q1196 WeakPolarHBondContact O-CB 3.44Å; P1193-Q1196 PolarHBondContact O-N 3.5Å; P1193-Q1196 VanDerWaalsContact O-N 3.12Å; Q1196-E1199 PolarHBondContact NE2-OE2 2.96Å; Q1196-E1199 PolarHBondContact O-N 3.46Å; Q1196-E1199 PolarHBondContact OE1-OE2 3.11Å; Q1196-N1200 PolarHBondContact NE2-OD1 2.87Å; Q1196-N1200 PolarHBondContact O-N 3.48Å; Q1196-N1200 PolarHBondContact O-OD1 2.87Å; Q1196-N1200 VanDerWaalsContact O-OD1 3.07Å
1197E85.6Confident82.9Confident109 Ų10986.6 Ų86.651%0.50942%0.423SS..Hα-helixtrans-67.1-41.1173-165.1-171.1128.500111.6P1193 N1200 R1201P1193-E1197 WeakPolarHBondContact O-CB 3.44Å; P1193-E1197 PolarHBondContact O-N 3.43Å; E1197-N1200 PolarHBondContact O-N 2.9Å; E1197-R1201 PolarHBondContact O-N 3.49Å; E1197-R1201 IonicContact OE1-CZ 2.7Å; E1197-R1201 IonicContact OE1-NH1 2.73Å; E1197-R1201 PolarHBondContact OE1-NH1 3.21Å; E1197-R1201 IonicContact OE1-NH2 2.7Å
1198E82.7Confident83.4Confident81 Ų8185 Ų8538%0.37942%0.415SS..Hα-helixtrans-66.8-37.8173.7-16874.3161.800112.8L1185 E1194 R1201 I1202L1185-E1198 HydrophobicContact CD1-CB 4.36Å; L1185-E1198 HydrophobicContact CD1-CG 4.16Å; E1194-E1198 WeakPolarHBondContact O-CB 3.41Å; E1194-E1198 PolarHBondContact O-N 2.9Å; E1194-E1198 VanDerWaalsContact O-N 3.08Å; E1198-R1201 PolarHBondContact O-N 3.26Å; E1198-R1201 IonicContact OE2-CZ 3.56Å; E1198-R1201 VanDerWaalsContact OE2-CZ 3.23Å; E1198-R1201 IonicContact OE2-NE 3.7Å; E1198-R1201 PolarHBondContact OE2-NE 3.13Å; E1198-R1201 IonicContact OE2-NH2 3.15Å; E1198-R1201 PolarHBondContact OE2-NH2 3.13Å; E1198-I1202 HydrophobicContact CG-CD1 4.14Å; E1198-I1202 WeakPolarHBondContact O-CG1 3.29Å; E1198-I1202 PolarHBondContact O-N 2.92Å
1199E84.6Confident83.5Confident8 Ų882.6 Ų82.64%0.03740%0.404CS..Hα-helixtrans-62.6-44.5173.9177.3173.7-131.300111.7Y1182 L1185 M1186 K1191 Q1195 Q1196 I1202 F1203Y1182-E1199 HydrophobicContact CD2-CG 3.98Å; Y1182-E1199 HydrophobicContact CE2-CG 3.53Å; L1185-E1199 HydrophobicContact CB-CB 4.4Å; L1185-E1199 HydrophobicContact CD1-CB 4.01Å; M1186-E1199 VanDerWaalsContact CG-OE1 3.27Å; M1186-E1199 WeakPolarHBondContact CG-OE1 3.32Å; K1191-E1199 WeakPolarHBondContact CE-OE2 3.43Å; K1191-E1199 IonicContact NZ-OE1 2.66Å; K1191-E1199 PolarHBondContact NZ-OE1 3.27Å; K1191-E1199 IonicContact NZ-OE2 2.64Å; K1191-E1199 PolarHBondContact NZ-OE2 3.33Å; Q1195-E1199 VanDerWaalsContact O-CB 3.3Å; Q1195-E1199 WeakPolarHBondContact O-CB 3.47Å; Q1195-E1199 PolarHBondContact O-N 3.26Å; Q1196-E1199 PolarHBondContact NE2-OE2 2.96Å; Q1196-E1199 PolarHBondContact O-N 3.46Å; Q1196-E1199 PolarHBondContact OE1-OE2 3.11Å; E1199-I1202 PolarHBondContact O-N 3.48Å; E1199-F1203 WeakPolarHBondContact O-CB 3.42Å; E1199-F1203 PolarHBondContact O-N 2.88Å
1200N83.8Confident84.1Confident85 Ų8574.9 Ų74.946%0.45537%0.374SS..Hα-helixtrans-62.9-48.5175.1-67.28.1000110.8Q1196 E1197 I1202 F1203 D1204Q1196-N1200 PolarHBondContact NE2-OD1 2.87Å; Q1196-N1200 PolarHBondContact O-N 3.48Å; Q1196-N1200 PolarHBondContact O-OD1 2.87Å; Q1196-N1200 VanDerWaalsContact O-OD1 3.07Å; E1197-N1200 PolarHBondContact O-N 2.9Å; N1200-I1202 VanDerWaalsContact C-N 3.28Å; N1200-I1202 PolarHBondContact O-N 2.86Å; N1200-F1203 CarbonylContact O-C 3.6Å; N1200-F1203 WeakPolarHBondContact O-CA 3.41Å; N1200-F1203 WeakPolarHBondContact O-CB 3.49Å; N1200-F1203 PolarHBondContact O-N 3.41Å; N1200-D1204 PolarHBondContact O-N 3.42Å
1201R89.3Confident84.4Confident98 Ų9874.6 Ų74.637%0.3737%0.367SS..Hα-helixtrans-53.5-42.9175.4-84.1-166.8-75.2-91.8-4.9113.3E1197 E1198 Q1205E1197-R1201 PolarHBondContact O-N 3.49Å; E1197-R1201 IonicContact OE1-CZ 2.7Å; E1197-R1201 IonicContact OE1-NH1 2.73Å; E1197-R1201 PolarHBondContact OE1-NH1 3.21Å; E1197-R1201 IonicContact OE1-NH2 2.7Å; E1198-R1201 PolarHBondContact O-N 3.26Å; E1198-R1201 IonicContact OE2-CZ 3.56Å; E1198-R1201 VanDerWaalsContact OE2-CZ 3.23Å; E1198-R1201 IonicContact OE2-NE 3.7Å; E1198-R1201 PolarHBondContact OE2-NE 3.13Å; E1198-R1201 IonicContact OE2-NH2 3.15Å; E1198-R1201 PolarHBondContact OE2-NH2 3.13Å; R1201-Q1205 VanDerWaalsContact O-CG 3.31Å; R1201-Q1205 WeakPolarHBondContact O-CG 3.41Å; R1201-Q1205 PolarHBondContact O-N 2.91Å
1202I86.7Confident84.4Confident13 Ų1374.3 Ų74.37%0.06737%0.368CS..Hα-helixtrans-72.2-32.5178.9-68.4168.9000110.9L1178 E1181 Y1182 L1185 E1198 E1199 N1200 I1206L1178-I1202 HydrophobicContact CB-CG2 4.27Å; L1178-I1202 HydrophobicContact CD2-CG2 4.22Å; E1181-I1202 HydrophobicContact CB-CD1 4.15Å; Y1182-I1202 HydrophobicContact CD2-CG2 4.44Å; L1185-I1202 HydrophobicContact CD1-CD1 3.86Å; E1198-I1202 HydrophobicContact CG-CD1 4.14Å; E1198-I1202 WeakPolarHBondContact O-CG1 3.29Å; E1198-I1202 PolarHBondContact O-N 2.92Å; E1199-I1202 PolarHBondContact O-N 3.48Å; N1200-I1202 VanDerWaalsContact C-N 3.28Å; N1200-I1202 PolarHBondContact O-N 2.86Å; I1202-I1206 HydrophobicContact CG2-CD1 4.2Å; I1202-I1206 WeakPolarHBondContact O-CD1 3.44Å; I1202-I1206 VanDerWaalsContact O-CG1 3.24Å; I1202-I1206 WeakPolarHBondContact O-CG1 3.24Å; I1202-I1206 PolarHBondContact O-N 3.01Å
1203F85.7Confident84.1Confident86 Ų8672.8 Ų72.838%0.37736%0.357SS..Hα-helixtrans-65.4-45.5172.4-176.7-101000111.9Y1182 E1199 N1200 Q1205 I1206 L1207Y1182-F1203 HydrophobicContact CD2-CB 4.31Å; Y1182-F1203 HydrophobicContact CE2-CB 3.85Å; Y1182-F1203 HydrophobicContact CE2-CD2 4.05Å; Y1182-F1203 HydrophobicContact CE2-CG 4.38Å; E1199-F1203 WeakPolarHBondContact O-CB 3.42Å; E1199-F1203 PolarHBondContact O-N 2.88Å; N1200-F1203 CarbonylContact O-C 3.6Å; N1200-F1203 WeakPolarHBondContact O-CA 3.41Å; N1200-F1203 WeakPolarHBondContact O-CB 3.49Å; N1200-F1203 PolarHBondContact O-N 3.41Å; F1203-Q1205 VanDerWaalsContact C-N 3.34Å; F1203-Q1205 PolarHBondContact O-N 3.03Å; F1203-I1206 WeakPolarHBondContact O-CA 3.39Å; F1203-I1206 WeakPolarHBondContact O-CB 3.47Å; F1203-I1206 PolarHBondContact O-N 3.17Å; F1203-L1207 HydrophobicContact CD1-CD1 4.09Å; F1203-L1207 HydrophobicContact CD1-CG 4.46Å; F1203-L1207 HydrophobicContact CE1-CD1 3.68Å; F1203-L1207 HydrophobicContact CE1-CG 4.16Å; F1203-L1207 HydrophobicContact CZ-CD1 4.35Å; F1203-L1207 HydrophobicContact CZ-CD2 4.41Å; F1203-L1207 HydrophobicContact CZ-CG 4.48Å; F1203-L1207 PolarHBondContact O-N 3.31Å
1204D86.5Confident84Confident93 Ų9372.5 Ų72.550%0.49735%0.349SS..Hα-helixtrans-62.3-41.7177.9-58.2-30.6000110.9N1200 I1206 L1207 E1208N1200-D1204 PolarHBondContact O-N 3.42Å; D1204-I1206 VanDerWaalsContact C-N 3.3Å; D1204-I1206 PolarHBondContact O-N 3.13Å; D1204-L1207 WeakPolarHBondContact O-CB 3.38Å; D1204-L1207 PolarHBondContact O-N 2.97Å; D1204-L1207 VanDerWaalsContact O-N 3.14Å; D1204-E1208 PolarHBondContact O-N 3.45Å
1205Q86.5Confident84.1Confident84 Ų8469.2 Ų69.239%0.39334%0.342SS..Hα-helixtrans-64.9-27.8171.9-72.1172.514.400113.6L1178 R1201 F1203 V1209L1178-Q1205 HydrophobicContact CD1-CB 3.88Å; L1178-Q1205 HydrophobicContact CD2-CB 4.2Å; R1201-Q1205 VanDerWaalsContact O-CG 3.31Å; R1201-Q1205 WeakPolarHBondContact O-CG 3.41Å; R1201-Q1205 PolarHBondContact O-N 2.91Å; F1203-Q1205 VanDerWaalsContact C-N 3.34Å; F1203-Q1205 PolarHBondContact O-N 3.03Å; Q1205-V1209 WeakPolarHBondContact O-CB 3.47Å; Q1205-V1209 VanDerWaalsContact O-CG2 3.26Å; Q1205-V1209 WeakPolarHBondContact O-CG2 3.49Å; Q1205-V1209 PolarHBondContact O-N 3.31Å; Q1205-V1209 VanDerWaalsContact O-N 3.13Å
1206I85.4Confident84.1Confident21 Ų2167.8 Ų67.811%0.10834%0.336CS..Hα-helixtrans-71.4-38.4172.2-71.6163.1000110.3L1178 E1179 Y1182 I1202 F1203 D1204 V1210L1178-I1206 HydrophobicContact CB-CD1 4.02Å; L1178-I1206 HydrophobicContact CB-CG1 3.51Å; L1178-I1206 HydrophobicContact CD1-CG1 4.23Å; L1178-I1206 HydrophobicContact CG-CG1 4.49Å; E1179-I1206 HydrophobicContact CG-CD1 4.42Å; Y1182-I1206 HydrophobicContact CG-CD1 4.28Å; I1202-I1206 HydrophobicContact CG2-CD1 4.2Å; I1202-I1206 WeakPolarHBondContact O-CD1 3.44Å; I1202-I1206 VanDerWaalsContact O-CG1 3.24Å; I1202-I1206 WeakPolarHBondContact O-CG1 3.24Å; I1202-I1206 PolarHBondContact O-N 3.01Å; F1203-I1206 WeakPolarHBondContact O-CA 3.39Å; F1203-I1206 WeakPolarHBondContact O-CB 3.47Å; F1203-I1206 PolarHBondContact O-N 3.17Å; D1204-I1206 VanDerWaalsContact C-N 3.3Å; D1204-I1206 PolarHBondContact O-N 3.13Å; I1206-V1210 WeakPolarHBondContact O-CG2 3.34Å; I1206-V1210 PolarHBondContact O-N 3.11Å
1207L84.9Confident83.9Confident89 Ų8967.3 Ų67.347%0.46634%0.339SS..Hα-helixtrans-64.3-49.1174.6-65.5177000111.1F1203 D1204 V1209 V1210 E1211F1203-L1207 HydrophobicContact CD1-CD1 4.09Å; F1203-L1207 HydrophobicContact CD1-CG 4.46Å; F1203-L1207 HydrophobicContact CE1-CD1 3.68Å; F1203-L1207 HydrophobicContact CE1-CG 4.16Å; F1203-L1207 HydrophobicContact CZ-CD1 4.35Å; F1203-L1207 HydrophobicContact CZ-CD2 4.41Å; F1203-L1207 HydrophobicContact CZ-CG 4.48Å; F1203-L1207 PolarHBondContact O-N 3.31Å; D1204-L1207 WeakPolarHBondContact O-CB 3.38Å; D1204-L1207 PolarHBondContact O-N 2.97Å; D1204-L1207 VanDerWaalsContact O-N 3.14Å; L1207-V1209 VanDerWaalsContact C-N 3.29Å; L1207-V1209 PolarHBondContact O-N 2.84Å; L1207-V1210 CarbonylContact O-C 3.59Å; L1207-V1210 WeakPolarHBondContact O-CA 3.33Å; L1207-V1210 PolarHBondContact O-N 3.03Å; L1207-E1211 PolarHBondContact O-N 3.4Å
1208E86.8Confident83.5Confident111 Ų11165.8 Ų65.852%0.51934%0.337SS..Hα-helixtrans-54.9-43176.2-168.4-158.9161.900111.9D1204 E1211 M1212D1204-E1208 PolarHBondContact O-N 3.45Å; E1208-E1211 PolarHBondContact O-N 3.46Å; E1208-M1212 HydrophobicContact CG-CE 4.13Å; E1208-M1212 WeakPolarHBondContact O-CG 3.26Å; E1208-M1212 PolarHBondContact O-N 2.9Å
1209V85.1Confident83.3Confident6 Ų667 Ų674%0.03634%0.341CS..Hα-helixtrans-70.3-31.7176.6173.20000112.5L1171 K1174 R1175 L1178 Q1205 L1207 M1212 M1213L1171-V1209 HydrophobicContact CB-CG1 4.28Å; L1171-V1209 HydrophobicContact CD2-CG1 4.15Å; L1171-V1209 WeakPolarHBondContact O-CG1 3.2Å; K1174-V1209 HydrophobicContact CB-CG1 4.21Å; K1174-V1209 HydrophobicContact CB-CG2 4.18Å; K1174-V1209 HydrophobicContact CD-CG2 4.38Å; R1175-V1209 HydrophobicContact CB-CG1 3.82Å; L1178-V1209 HydrophobicContact CD1-CG2 4.08Å; Q1205-V1209 WeakPolarHBondContact O-CB 3.47Å; Q1205-V1209 VanDerWaalsContact O-CG2 3.26Å; Q1205-V1209 WeakPolarHBondContact O-CG2 3.49Å; Q1205-V1209 PolarHBondContact O-N 3.31Å; Q1205-V1209 VanDerWaalsContact O-N 3.13Å; L1207-V1209 VanDerWaalsContact C-N 3.29Å; L1207-V1209 PolarHBondContact O-N 2.84Å; V1209-M1212 HydrophobicContact CB-CE 4.49Å; V1209-M1212 HydrophobicContact CG2-CE 3.91Å; V1209-M1213 VanDerWaalsContact O-CG 3.27Å; V1209-M1213 WeakPolarHBondContact O-CG 3.48Å; V1209-M1213 PolarHBondContact O-N 2.88Å
1210V83.5Confident82.6Confident42 Ų4269.1 Ų69.126%0.25535%0.352SS..Hα-helixtrans-70.8-42173168.60000111.1I1206 L1207 M1212 M1213 D1214I1206-V1210 WeakPolarHBondContact O-CG2 3.34Å; I1206-V1210 PolarHBondContact O-N 3.11Å; L1207-V1210 CarbonylContact O-C 3.59Å; L1207-V1210 WeakPolarHBondContact O-CA 3.33Å; L1207-V1210 PolarHBondContact O-N 3.03Å; V1210-M1212 PolarHBondContact O-N 2.84Å; V1210-M1213 WeakPolarHBondContact O-CA 3.26Å; V1210-M1213 WeakPolarHBondContact O-CB 3.23Å; V1210-M1213 PolarHBondContact O-N 2.79Å; V1210-D1214 PolarHBondContact O-N 2.97Å
1211E85.1Confident82.1Confident143 Ų14368.1 Ų68.167%0.66835%0.347SS*.Hα-helixtrans-61.6-41.7175.6-175.2170-159.500111.8L1207 E1208 M1213 D1214 S1215L1207-E1211 PolarHBondContact O-N 3.4Å; E1208-E1211 PolarHBondContact O-N 3.46Å; E1211-M1213 VanDerWaalsContact C-N 3.27Å; E1211-M1213 PolarHBondContact O-N 2.83Å; E1211-D1214 PolarHBondContact O-N 3.01Å; E1211-S1215 WeakPolarHBondContact O-CB 3.49Å; E1211-S1215 PolarHBondContact O-N 3.49Å
1212M81.1Confident81.6Confident57 Ų5769.2 Ų69.228%0.28136%0.356SS..Hα-helixtrans-61.6-31170.3-79.7-170.4-80.500113.6L1171 E1208 V1209 V1210 L1216L1171-M1212 HydrophobicContact CD1-CB 4.09Å; L1171-M1212 HydrophobicContact CD2-CB 3.74Å; L1171-M1212 HydrophobicContact CD2-CE 4.12Å; L1171-M1212 HydrophobicContact CD2-SD 4.03Å; E1208-M1212 HydrophobicContact CG-CE 4.13Å; E1208-M1212 WeakPolarHBondContact O-CG 3.26Å; E1208-M1212 PolarHBondContact O-N 2.9Å; V1209-M1212 HydrophobicContact CB-CE 4.49Å; V1209-M1212 HydrophobicContact CG2-CE 3.91Å; V1210-M1212 PolarHBondContact O-N 2.84Å; M1212-L1216 PolarHBondContact O-N 3.34Å
1213M81.1Confident80.9Confident24 Ų2470.6 Ų70.612%0.11836%0.362CS..Hα-helixtrans-74.8-43.3174.7-70.6174.877.800111.3Q1168 L1171 E1172 V1209 V1210 E1211 S1215 L1216 V1217Q1168-M1213 VanDerWaalsContact NE2-CE 3.3Å; L1171-M1213 HydrophobicContact CB-CG 3.54Å; L1171-M1213 HydrophobicContact CB-SD 4.1Å; L1171-M1213 HydrophobicContact CD1-CG 3.78Å; L1171-M1213 HydrophobicContact CG-CG 4.22Å; E1172-M1213 HydrophobicContact CG-CE 3.86Å; V1209-M1213 VanDerWaalsContact O-CG 3.27Å; V1209-M1213 WeakPolarHBondContact O-CG 3.48Å; V1209-M1213 PolarHBondContact O-N 2.88Å; V1210-M1213 WeakPolarHBondContact O-CA 3.26Å; V1210-M1213 WeakPolarHBondContact O-CB 3.23Å; V1210-M1213 PolarHBondContact O-N 2.79Å; E1211-M1213 VanDerWaalsContact C-N 3.27Å; E1211-M1213 PolarHBondContact O-N 2.83Å; M1213-S1215 VanDerWaalsContact C-N 3.35Å; M1213-S1215 PolarHBondContact O-N 2.91Å; M1213-L1216 WeakPolarHBondContact O-CB 3.34Å; M1213-L1216 PolarHBondContact O-N 3.21Å; M1213-L1216 VanDerWaalsContact O-N 3.13Å; M1213-V1217 WeakPolarHBondContact O-CG2 3.21Å; M1213-V1217 PolarHBondContact O-N 3.09Å
1214D79.9Confident80.4Confident99 Ų9972.8 Ų72.853%0.52937%0.367SS..Hα-helixtrans-67-36.9179.4-71.2-22.1000111.4V1210 E1211 L1216 V1217 T1218V1210-D1214 PolarHBondContact O-N 2.97Å; E1211-D1214 PolarHBondContact O-N 3.01Å; D1214-L1216 VanDerWaalsContact C-N 3.32Å; D1214-L1216 PolarHBondContact O-N 3.01Å; D1214-V1217 WeakPolarHBondContact O-CB 3.11Å; D1214-V1217 PolarHBondContact O-N 3.05Å; D1214-V1217 VanDerWaalsContact O-N 3.15Å; D1214-T1218 PolarHBondContact O-N 3.06Å
1215S83.8Confident79.7Confident74 Ų7474.7 Ų74.752%0.51737%0.374SS..Hα-helixtrans-61-36.4169.5179.40000113E1211 M1213 V1217 T1218 F1219E1211-S1215 WeakPolarHBondContact O-CB 3.49Å; E1211-S1215 PolarHBondContact O-N 3.49Å; M1213-S1215 VanDerWaalsContact C-N 3.35Å; M1213-S1215 PolarHBondContact O-N 2.91Å; S1215-V1217 VanDerWaalsContact C-N 3.33Å; S1215-T1218 PolarHBondContact O-OG1 2.87Å; S1215-F1219 WeakPolarHBondContact O-CB 3.49Å; S1215-F1219 PolarHBondContact O-N 2.81Å; S1215-F1219 VanDerWaalsContact O-N 3.11Å
1216L77.9Confident79.3Confident24 Ų2477 Ų7713%0.12638%0.382CS..Hα-helixtrans-71.4-30.5175.1-16664.5000112V1164 R1167 Q1168 L1171 M1212 M1213 D1214 L1220V1164-L1216 HydrophobicContact CG1-CD1 3.88Å; V1164-L1216 HydrophobicContact CG1-CD2 4.12Å; V1164-L1216 HydrophobicContact CG1-CG 3.91Å; V1164-L1216 HydrophobicContact CG2-CD1 4.41Å; R1167-L1216 HydrophobicContact CB-CD2 4.11Å; R1167-L1216 HydrophobicContact CG-CD2 4.08Å; Q1168-L1216 HydrophobicContact CB-CD2 3.97Å; L1171-L1216 HydrophobicContact CD1-CD2 4.26Å; M1212-L1216 PolarHBondContact O-N 3.34Å; M1213-L1216 WeakPolarHBondContact O-CB 3.34Å; M1213-L1216 PolarHBondContact O-N 3.21Å; M1213-L1216 VanDerWaalsContact O-N 3.13Å; D1214-L1216 VanDerWaalsContact C-N 3.32Å; D1214-L1216 PolarHBondContact O-N 3.01Å; L1216-L1220 WeakPolarHBondContact O-CG 3.25Å; L1216-L1220 PolarHBondContact O-N 2.93Å; L1216-L1220 VanDerWaalsContact O-N 3.15Å
1217V75.2Confident78.5Confident67 Ų6779 Ų7941%0.40639%0.391SS..Hα-helixtrans-72.1-43.6174171.80000111.4M1213 D1214 S1215 L1220 D1221M1213-V1217 WeakPolarHBondContact O-CG2 3.21Å; M1213-V1217 PolarHBondContact O-N 3.09Å; D1214-V1217 WeakPolarHBondContact O-CB 3.11Å; D1214-V1217 PolarHBondContact O-N 3.05Å; D1214-V1217 VanDerWaalsContact O-N 3.15Å; S1215-V1217 VanDerWaalsContact C-N 3.33Å; V1217-L1220 PolarHBondContact O-N 3.14Å; V1217-D1221 PolarHBondContact O-N 3.38Å
1218T77.4Confident77.7Confident77 Ų7779.4 Ų79.447%0.47239%0.392SS..Hα-helixtrans-62.6-44.4175.755.60000111.2D1214 S1215 L1220 D1221 E1222D1214-T1218 PolarHBondContact O-N 3.06Å; S1215-T1218 PolarHBondContact O-OG1 2.87Å; T1218-L1220 VanDerWaalsContact C-N 3.31Å; T1218-L1220 PolarHBondContact O-N 3.01Å; T1218-D1221 PolarHBondContact O-N 3.45Å; T1218-D1221 VanDerWaalsContact O-N 3.09Å; T1218-E1222 WeakPolarHBondContact O-CB 3.4Å; T1218-E1222 WeakPolarHBondContact O-CG 3.48Å; T1218-E1222 PolarHBondContact O-N 2.83Å
1219F78.8Confident77.1Confident106 Ų10676.9 Ų76.947%0.46539%0.386SS..Hα-helixtrans-56.5-40.5173.4175.1-101.9000113.1V1164 S1215 K1223V1164-F1219 HydrophobicContact CG2-CD1 4.38Å; V1164-F1219 HydrophobicContact CG2-CE1 4.01Å; S1215-F1219 WeakPolarHBondContact O-CB 3.49Å; S1215-F1219 PolarHBondContact O-N 2.81Å; S1215-F1219 VanDerWaalsContact O-N 3.11Å; F1219-K1223 VanDerWaalsContact O-CB 3.24Å; F1219-K1223 WeakPolarHBondContact O-CB 3.44Å; F1219-K1223 PolarHBondContact O-N 3.09Å
1220L71Confident76.4Confident53 Ų5381.3 Ų81.328%0.27741%0.407SS..Hα-helixtrans-67.3-35.3175.6-83.8174000113.3V1164 L1216 V1217 T1218 R1224V1164-L1220 HydrophobicContact CB-CD2 4.44Å; V1164-L1220 HydrophobicContact CG1-CD1 3.71Å; V1164-L1220 HydrophobicContact CG1-CD2 3.8Å; V1164-L1220 HydrophobicContact CG1-CG 3.8Å; L1216-L1220 WeakPolarHBondContact O-CG 3.25Å; L1216-L1220 PolarHBondContact O-N 2.93Å; L1216-L1220 VanDerWaalsContact O-N 3.15Å; V1217-L1220 PolarHBondContact O-N 3.14Å; T1218-L1220 VanDerWaalsContact C-N 3.31Å; T1218-L1220 PolarHBondContact O-N 3.01Å; L1220-R1224 WeakPolarHBondContact O-CB 3.31Å; L1220-R1224 PolarHBondContact O-N 3.16Å
1221D72.6Confident75.6Confident63 Ų6384.2 Ų84.234%0.33742%0.416SS..Hα-helixtrans-77.6-38.4178.8-83.417.8000111.6V1217 T1218 R1224 Q1225V1217-D1221 PolarHBondContact O-N 3.38Å; T1218-D1221 PolarHBondContact O-N 3.45Å; T1218-D1221 VanDerWaalsContact O-N 3.09Å; D1221-R1224 PolarHBondContact O-N 3.17Å; D1221-R1224 IonicContact OD1-CZ 2.87Å; D1221-R1224 IonicContact OD1-NH1 3.58Å; D1221-R1224 PolarHBondContact OD1-NH1 3.28Å; D1221-R1224 IonicContact OD1-NH2 3.01Å; D1221-R1224 PolarHBondContact OD1-NH2 3.34Å; D1221-R1224 IonicContact OD2-NH1 2.76Å; D1221-Q1225 VanDerWaalsContact O-CG 3.29Å; D1221-Q1225 WeakPolarHBondContact O-CG 3.37Å; D1221-Q1225 PolarHBondContact O-N 2.99Å
1222E78.4Confident74.9Confident122 Ų12283.1 Ų83.157%0.5741%0.411SS*.Hα-helixtrans-59.4-48.3168.3-75176.6-170.700111.6T1218 R1224 Q1225 K1226T1218-E1222 WeakPolarHBondContact O-CB 3.4Å; T1218-E1222 WeakPolarHBondContact O-CG 3.48Å; T1218-E1222 PolarHBondContact O-N 2.83Å; E1222-R1224 VanDerWaalsContact C-N 3.26Å; E1222-R1224 PolarHBondContact O-N 3.38Å; E1222-Q1225 PolarHBondContact O-N 3.06Å; E1222-K1226 WeakPolarHBondContact O-CB 3.24Å; E1222-K1226 PolarHBondContact O-N 2.67Å
1223K73Confident74.3Confident41 Ų4185.9 Ų85.918%0.17842%0.423CS..Hα-helixtrans-55.9-43.2174.2-177.3-174.3-178.3-176.70111S1160 D1161 F1219 K1226 E1227S1160-K1223 PolarHBondContact OG-NZ 2.85Å; D1161-K1223 IonicContact OD1-NZ 2.8Å; D1161-K1223 PolarHBondContact OD1-NZ 3.2Å; F1219-K1223 VanDerWaalsContact O-CB 3.24Å; F1219-K1223 WeakPolarHBondContact O-CB 3.44Å; F1219-K1223 PolarHBondContact O-N 3.09Å; K1223-K1226 PolarHBondContact O-N 3.34Å; K1223-E1227 VanDerWaalsContact O-CB 3.31Å; K1223-E1227 WeakPolarHBondContact O-CB 3.21Å; K1223-E1227 PolarHBondContact O-N 2.8Å
1224R74.3Confident73.6Confident132 Ų13286.6 Ų86.650%0.49843%0.433SS..Hα-helixtrans-66.9-39.6178.1-164-174.9-51.6118.921.5112.4L1220 D1221 E1222 M1228L1220-R1224 WeakPolarHBondContact O-CB 3.31Å; L1220-R1224 PolarHBondContact O-N 3.16Å; D1221-R1224 PolarHBondContact O-N 3.17Å; D1221-R1224 IonicContact OD1-CZ 2.87Å; D1221-R1224 IonicContact OD1-NH1 3.58Å; D1221-R1224 PolarHBondContact OD1-NH1 3.28Å; D1221-R1224 IonicContact OD1-NH2 3.01Å; D1221-R1224 PolarHBondContact OD1-NH2 3.34Å; D1221-R1224 IonicContact OD2-NH1 2.76Å; E1222-R1224 VanDerWaalsContact C-N 3.26Å; E1222-R1224 PolarHBondContact O-N 3.38Å; R1224-M1228 WeakPolarHBondContact O-CG 3.47Å; R1224-M1228 PolarHBondContact O-N 2.95Å
1225Q73.1Confident72.9Confident134 Ų13486.8 Ų86.863%0.62643%0.433SS*.Hα-helixtrans-64.9-46174.8-72.6173.347.100111.3D1221 E1222 E1227 M1228 S1229D1221-Q1225 VanDerWaalsContact O-CG 3.29Å; D1221-Q1225 WeakPolarHBondContact O-CG 3.37Å; D1221-Q1225 PolarHBondContact O-N 2.99Å; E1222-Q1225 PolarHBondContact O-N 3.06Å; Q1225-E1227 PolarHBondContact O-N 2.91Å; Q1225-M1228 WeakPolarHBondContact O-CB 3.46Å; Q1225-M1228 PolarHBondContact O-N 2.86Å; Q1225-M1228 VanDerWaalsContact O-N 3.11Å; Q1225-S1229 PolarHBondContact O-N 2.75Å
1226K76.3Confident72.2Confident133 Ų13386.9 Ų86.958%0.57843%0.434SS*.Hα-helixtrans-60.4-45.1174.5-178.4169.5178.4170.70111.8E1222 K1223 M1228 S1229 E1230E1222-K1226 WeakPolarHBondContact O-CB 3.24Å; E1222-K1226 PolarHBondContact O-N 2.67Å; K1223-K1226 PolarHBondContact O-N 3.34Å; K1226-M1228 VanDerWaalsContact C-N 3.25Å; K1226-M1228 PolarHBondContact O-N 2.86Å; K1226-S1229 PolarHBondContact O-N 3Å; K1226-E1230 WeakPolarHBondContact CE-OE1 3.41Å; K1226-E1230 HydrophobicContact CG-CG 4.39Å; K1226-E1230 WeakPolarHBondContact O-CB 3.24Å; K1226-E1230 WeakPolarHBondContact O-CG 3.48Å; K1226-E1230 PolarHBondContact O-N 3.45Å
1227E70.1Confident71.5Confident61 Ų6190.1 Ų90.129%0.28545%0.451SS..Hα-helixtrans-60.5-31.5173.9-98.5-163.2-129.700113.5K1223 Q1225 K1231K1223-E1227 VanDerWaalsContact O-CB 3.31Å; K1223-E1227 WeakPolarHBondContact O-CB 3.21Å; K1223-E1227 PolarHBondContact O-N 2.8Å; Q1225-E1227 PolarHBondContact O-N 2.91Å; E1227-K1231 WeakPolarHBondContact O-CB 3.39Å; E1227-K1231 WeakPolarHBondContact O-CD 3.46Å; E1227-K1231 WeakPolarHBondContact O-CE 3.43Å; E1227-K1231 WeakPolarHBondContact O-CG 3.34Å; E1227-K1231 PolarHBondContact O-N 3.29Å; E1227-K1231 PolarHBondContact O-NZ 2.83Å; E1227-K1231 IonicContact OE2-NZ 2.62Å; E1227-K1231 PolarHBondContact OE2-NZ 3.5Å
1228M67.3Low70.6Confident98 Ų9893 Ų9348%0.48346%0.458SS..Hα-helixtrans-72.8-46.6173.2-75.5-66.7-61.300110.9R1224 Q1225 K1226 E1230 K1231 E1232R1224-M1228 WeakPolarHBondContact O-CG 3.47Å; R1224-M1228 PolarHBondContact O-N 2.95Å; Q1225-M1228 WeakPolarHBondContact O-CB 3.46Å; Q1225-M1228 PolarHBondContact O-N 2.86Å; Q1225-M1228 VanDerWaalsContact O-N 3.11Å; K1226-M1228 VanDerWaalsContact C-N 3.25Å; K1226-M1228 PolarHBondContact O-N 2.86Å; M1228-E1230 PolarHBondContact O-N 3.4Å; M1228-K1231 WeakPolarHBondContact O-CB 3.45Å; M1228-K1231 PolarHBondContact O-N 3.27Å; M1228-K1231 VanDerWaalsContact O-N 3.1Å; M1228-E1232 WeakPolarHBondContact O-CG 3.44Å; M1228-E1232 PolarHBondContact O-N 2.81Å
1229S73.6Confident69.6Low58 Ų5894 Ų9441%0.40646%0.457SS..Hα-helixtrans-57.6-48.6175.8-177.90000112Q1225 K1226 K1231 E1232 E1233Q1225-S1229 PolarHBondContact O-N 2.75Å; K1226-S1229 PolarHBondContact O-N 3Å; S1229-K1231 PolarHBondContact O-N 2.99Å; S1229-E1232 CarbonylContact O-C 3.56Å; S1229-E1232 PolarHBondContact O-N 2.96Å; S1229-E1233 PolarHBondContact O-N 3.24Å
1230E70.6Confident68.4Low100 Ų10091.9 Ų91.947%0.46746%0.458SS..Hα-helixtrans-61.1-31.7176-72.4178.3-169.900112.5K1226 M1228 A1234K1226-E1230 WeakPolarHBondContact CE-OE1 3.41Å; K1226-E1230 HydrophobicContact CG-CG 4.39Å; K1226-E1230 WeakPolarHBondContact O-CB 3.24Å; K1226-E1230 WeakPolarHBondContact O-CG 3.48Å; K1226-E1230 PolarHBondContact O-N 3.45Å; M1228-E1230 PolarHBondContact O-N 3.4Å; E1230-A1234 WeakPolarHBondContact O-CB 3.45Å; E1230-A1234 PolarHBondContact O-N 3.08Å
1231K67.5Low67.5Low103 Ų10396.3 Ų96.345%0.44848%0.476SS..Hα-helixtrans-73.6-36174.2-72.1160.6-156.7154.60111.7E1227 M1228 S1229 L1235E1227-K1231 WeakPolarHBondContact O-CB 3.39Å; E1227-K1231 WeakPolarHBondContact O-CD 3.46Å; E1227-K1231 WeakPolarHBondContact O-CE 3.43Å; E1227-K1231 WeakPolarHBondContact O-CG 3.34Å; E1227-K1231 PolarHBondContact O-N 3.29Å; E1227-K1231 PolarHBondContact O-NZ 2.83Å; E1227-K1231 IonicContact OE2-NZ 2.62Å; E1227-K1231 PolarHBondContact OE2-NZ 3.5Å; M1228-K1231 WeakPolarHBondContact O-CB 3.45Å; M1228-K1231 PolarHBondContact O-N 3.27Å; M1228-K1231 VanDerWaalsContact O-N 3.1Å; S1229-K1231 PolarHBondContact O-N 2.99Å; K1231-L1235 WeakPolarHBondContact O-CD1 3.33Å; K1231-L1235 VanDerWaalsContact O-CG 3.25Å; K1231-L1235 WeakPolarHBondContact O-CG 3.38Å; K1231-L1235 PolarHBondContact O-N 3.16Å
1232E70.4Confident66.5Low119 Ų119101.3 Ų101.356%0.55649%0.49SS*.Hα-helixtrans-71.7-42.3175.8-72.8171.3-172.300111.7M1228 S1229 L1235 S1236M1228-E1232 WeakPolarHBondContact O-CG 3.44Å; M1228-E1232 PolarHBondContact O-N 2.81Å; S1229-E1232 CarbonylContact O-C 3.56Å; S1229-E1232 PolarHBondContact O-N 2.96Å; E1232-L1235 WeakPolarHBondContact O-CB 3.44Å; E1232-L1235 PolarHBondContact O-N 3.39Å; E1232-L1235 VanDerWaalsContact O-N 3.16Å; E1232-S1236 WeakPolarHBondContact O-CB 3.35Å; E1232-S1236 PolarHBondContact O-N 3Å
1233E69.1Low65.1Low115 Ų115102.2 Ų102.254%0.53749%0.494SS..Hα-helixtrans-60.4-46.1168.9-71.3-169160.800111.5S1229 L1235 S1236 I1237S1229-E1233 PolarHBondContact O-N 3.24Å; E1233-L1235 PolarHBondContact O-N 3.28Å; E1233-S1236 PolarHBondContact O-N 3.13Å; E1233-S1236 VanDerWaalsContact O-N 3.17Å; E1233-I1237 WeakPolarHBondContact O-CB 3.43Å; E1233-I1237 VanDerWaalsContact O-CG1 3.29Å; E1233-I1237 WeakPolarHBondContact O-CG1 3.41Å; E1233-I1237 PolarHBondContact O-N 3.33Å
1234A64.7Low63.8Low39 Ų39104.9 Ų104.932%0.32252%0.517SS..Hα-helixtrans-67.2-14.9176.900000113.8E1230 K1238E1230-A1234 WeakPolarHBondContact O-CB 3.45Å; E1230-A1234 PolarHBondContact O-N 3.08Å; A1234-K1238 WeakPolarHBondContact O-CD 3.17Å; A1234-K1238 WeakPolarHBondContact O-CE 3.39Å; A1234-K1238 VanDerWaalsContact O-CG 3.24Å; A1234-K1238 WeakPolarHBondContact O-CG 3.29Å; A1234-K1238 PolarHBondContact O-NZ 3.17Å
1235L65.3Low62.3Low104 Ų104107.7 Ų107.755%0.54553%0.533SS..Hα-helixtrans-85-50.4166.9-74.6165000110.3K1231 E1232 E1233 I1237 K1238 E1239K1231-L1235 WeakPolarHBondContact O-CD1 3.33Å; K1231-L1235 VanDerWaalsContact O-CG 3.25Å; K1231-L1235 WeakPolarHBondContact O-CG 3.38Å; K1231-L1235 PolarHBondContact O-N 3.16Å; E1232-L1235 WeakPolarHBondContact O-CB 3.44Å; E1232-L1235 PolarHBondContact O-N 3.39Å; E1232-L1235 VanDerWaalsContact O-N 3.16Å; E1233-L1235 PolarHBondContact O-N 3.28Å; L1235-I1237 VanDerWaalsContact C-N 3.33Å; L1235-I1237 PolarHBondContact O-N 2.99Å; L1235-K1238 CarbonylContact O-C 3.17Å; L1235-K1238 WeakPolarHBondContact O-CA 3.29Å; L1235-K1238 WeakPolarHBondContact O-CB 3.47Å; L1235-K1238 PolarHBondContact O-N 3.27Å; L1235-E1239 WeakPolarHBondContact O-CG 3.22Å; L1235-E1239 PolarHBondContact O-N 3.26Å
1236S69.3Low60.8Low76 Ų76105.2 Ų105.253%0.53154%0.536SS..Hα-helixtrans-52.4-46.4176.4-178.20000112.4E1232 E1233 K1238 E1239 A1240E1232-S1236 WeakPolarHBondContact O-CB 3.35Å; E1232-S1236 PolarHBondContact O-N 3Å; E1233-S1236 PolarHBondContact O-N 3.13Å; E1233-S1236 VanDerWaalsContact O-N 3.17Å; S1236-K1238 VanDerWaalsContact C-N 3.3Å; S1236-K1238 PolarHBondContact O-N 3.46Å; S1236-E1239 CarbonylContact O-C 2.99Å; S1236-E1239 PolarHBondContact O-N 3.33Å; S1236-A1240 PolarHBondContact O-N 3.49Å
1237I64.3Low59.1Low92 Ų92102.1 Ų102.147%0.47254%0.542SS..Hα-helixtrans-62.7-34175.9-67.5164.9000112E1233 L1235 K1241E1233-I1237 WeakPolarHBondContact O-CB 3.43Å; E1233-I1237 VanDerWaalsContact O-CG1 3.29Å; E1233-I1237 WeakPolarHBondContact O-CG1 3.41Å; E1233-I1237 PolarHBondContact O-N 3.33Å; L1235-I1237 VanDerWaalsContact C-N 3.33Å; L1235-I1237 PolarHBondContact O-N 2.99Å; I1237-K1241 HydrophobicContact CG2-CD 4.46Å; I1237-K1241 WeakPolarHBondContact O-CB 3.3Å; I1237-K1241 WeakPolarHBondContact O-CG 3.43Å; I1237-K1241 PolarHBondContact O-N 2.86Å
1238K56Low57.6Low128 Ų128103.6 Ų103.656%0.55756%0.564SS**Hα-helixtrans-72.2-30.2174.3-71.6168.4-168.4144.70111.7A1234 L1235 S1236 R1242A1234-K1238 WeakPolarHBondContact O-CD 3.17Å; A1234-K1238 WeakPolarHBondContact O-CE 3.39Å; A1234-K1238 VanDerWaalsContact O-CG 3.24Å; A1234-K1238 WeakPolarHBondContact O-CG 3.29Å; A1234-K1238 PolarHBondContact O-NZ 3.17Å; L1235-K1238 CarbonylContact O-C 3.17Å; L1235-K1238 WeakPolarHBondContact O-CA 3.29Å; L1235-K1238 WeakPolarHBondContact O-CB 3.47Å; L1235-K1238 PolarHBondContact O-N 3.27Å; S1236-K1238 VanDerWaalsContact C-N 3.3Å; S1236-K1238 PolarHBondContact O-N 3.46Å; K1238-R1242 WeakPolarHBondContact O-CG 3.48Å; K1238-R1242 PolarHBondContact O-N 3.04Å
1239E56.1Low56.1Low98 Ų98107.6 Ų107.646%0.45858%0.581SS.*Hα-helixtrans-79.9-39.5175.9-57-146.1127.600112.1L1235 S1236 K1241 R1242 H1243L1235-E1239 WeakPolarHBondContact O-CG 3.22Å; L1235-E1239 PolarHBondContact O-N 3.26Å; S1236-E1239 CarbonylContact O-C 2.99Å; S1236-E1239 PolarHBondContact O-N 3.33Å; E1239-K1241 VanDerWaalsContact C-N 3.29Å; E1239-K1241 PolarHBondContact O-N 3.07Å; E1239-R1242 WeakPolarHBondContact O-CA 3.27Å; E1239-R1242 WeakPolarHBondContact O-CB 3.44Å; E1239-R1242 PolarHBondContact O-N 3.12Å; E1239-R1242 IonicContact OE1-NH1 3.23Å; E1239-R1242 PolarHBondContact OE1-NH1 3.41Å; E1239-R1242 VanDerWaalsContact OE1-NH1 3.13Å; E1239-H1243 PolarHBondContact O-N 3.43Å; E1239-H1243 PolarHBondContact O-ND1 2.93Å
1240A53.8Low54.1Low60 Ų60109.9 Ų109.950%0.49659%0.593SS.*Hα-helixtrans-56.4-42.8168.500000111.5S1236 R1242 H1243 S1244S1236-A1240 PolarHBondContact O-N 3.49Å; A1240-R1242 VanDerWaalsContact C-N 3.3Å; A1240-R1242 PolarHBondContact O-N 2.66Å; A1240-H1243 PolarHBondContact O-N 2.94Å; A1240-S1244 WeakPolarHBondContact O-CB 3.24Å; A1240-S1244 PolarHBondContact O-N 2.72Å
1241K52.2Low52.2Low147 Ų147114.1 Ų114.164%0.63961%0.613SS**Hα-helixtrans-67.5-22.5173.7-76.8178.9175.9177.90114.2I1237 E1239I1237-K1241 HydrophobicContact CG2-CD 4.46Å; I1237-K1241 WeakPolarHBondContact O-CB 3.3Å; I1237-K1241 WeakPolarHBondContact O-CG 3.43Å; I1237-K1241 PolarHBondContact O-N 2.86Å; E1239-K1241 VanDerWaalsContact C-N 3.29Å; E1239-K1241 PolarHBondContact O-N 3.07Å
1242R51.4Low50.5Low168 Ų168120.5 Ų120.563%0.63463%0.634SS**Hα-helixtrans-72.8-45.4167.9-75171.7173.1161.3-2.9111.4K1238 E1239 A1240 K1245K1238-R1242 WeakPolarHBondContact O-CG 3.48Å; K1238-R1242 PolarHBondContact O-N 3.04Å; E1239-R1242 WeakPolarHBondContact O-CA 3.27Å; E1239-R1242 WeakPolarHBondContact O-CB 3.44Å; E1239-R1242 PolarHBondContact O-N 3.12Å; E1239-R1242 IonicContact OE1-NH1 3.23Å; E1239-R1242 PolarHBondContact OE1-NH1 3.41Å; E1239-R1242 VanDerWaalsContact OE1-NH1 3.13Å; A1240-R1242 VanDerWaalsContact C-N 3.3Å; A1240-R1242 PolarHBondContact O-N 2.66Å; R1242-K1245 PolarHBondContact O-N 2.95Å
1243H48.3Very low48.5Very low141 Ų141123.1 Ų123.165%0.65368%0.676SS**Hα-helixtrans-68.7-39.2-178.5-69.383.1000112.2E1239 A1240 K1245 A1246E1239-H1243 PolarHBondContact O-N 3.43Å; E1239-H1243 PolarHBondContact O-ND1 2.93Å; A1240-H1243 PolarHBondContact O-N 2.94Å; H1243-K1245 VanDerWaalsContact C-N 3.26Å; H1243-K1245 PolarHBondContact O-N 3.35Å; H1243-A1246 WeakPolarHBondContact O-CB 3.15Å; H1243-A1246 PolarHBondContact O-N 2.66Å
1244S45.3Very low47.5Very low96 Ų96123.6 Ų123.667%0.67168%0.683SS**Hα-helixtrans-55.8-38.2173.1173.80000112.7A1240 A1246 G1247A1240-S1244 WeakPolarHBondContact O-CB 3.24Å; A1240-S1244 PolarHBondContact O-N 2.72Å; S1244-A1246 PolarHBondContact O-N 2.64Å; S1244-G1247 PolarHBondContact O-N 3.29Å
1245K44.4Very low46.6Very low192 Ų192128 Ų12884%0.83570%0.702SS**THydrogen-bonded Turntrans-72.1-8175.8-93.7-171.8173.4-177.20115R1242 H1243R1242-K1245 PolarHBondContact O-N 2.95Å; H1243-K1245 VanDerWaalsContact C-N 3.26Å; H1243-K1245 PolarHBondContact O-N 3.35Å
1246A41.6Very low45.5Very low82 Ų82129.3 Ų129.368%0.67871%0.711SS**THydrogen-bonded Turntrans-93.7-16.417800000113.9H1243 S1244H1243-A1246 WeakPolarHBondContact O-CB 3.15Å; H1243-A1246 PolarHBondContact O-N 2.66Å; S1244-A1246 PolarHBondContact O-N 2.64Å
1247G39Very low44.1Very low68 Ų68132.5 Ų132.570%0.70172%0.722SS**SBendtrans-83.5-15.4-17400000116.2S1244 Q1249S1244-G1247 PolarHBondContact O-N 3.29Å; G1247-Q1249 VanDerWaalsContact C-N 3.35Å; G1247-Q1249 PolarHBondContact O-N 2.65Å; G1247-Q1249 VanDerWaalsContact O-N 3.1Å
1248A39.5Very low42.9Very low92 Ų92135 Ų13576%0.7674%0.737SS**  trans-89.355.4-169.700000113.9
1249Q34.8Very low42Very low181 Ų181135.5 Ų135.585%0.84675%0.749SS**  trans-98.793174-170.8169.21.300111.1G1247 Q1251G1247-Q1249 VanDerWaalsContact C-N 3.35Å; G1247-Q1249 PolarHBondContact O-N 2.65Å; G1247-Q1249 VanDerWaalsContact O-N 3.1Å; Q1249-Q1251 PolarHBondContact O-N 2.95Å
1250V32.6Very low41Very low106 Ų106138.1 Ų138.164%0.64277%0.77SS**  trans-69.6114.3178.9-178.10000110.5W1252V1250-W1252 HydrophobicContact CG1-CG 4.45Å
1251Q30.4Very low40Very low189 Ų189144.2 Ų144.288%0.88379%0.791SS**  trans-77.2130.6158-73.7-174.5-61.500109.1Q1249Q1249-Q1251 PolarHBondContact O-N 2.95Å
1252W31.4Very low39Very low237 Ų237143.9 Ų143.990%0.89880%0.804SS**  trans-101.1130.8167.5-74.283.7000109.3V1250V1250-W1252 HydrophobicContact CG1-CG 4.45Å
1253A29.4Very low37.9Very low175 Ų175141.7 Ų141.7100%1.44682%0.819SS**  trans-145.80166.300000107.8

Retrieved 1,253 of 1,253 residues in 232.4 ms (Link to these results)

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