A0A060XK24_ONCMY Loading...

VHS domain-containing protein

AlphaFold DB , UniProt , Accession A0A060XK24, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110493504, Length 498 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
1M36.3Very low70.9Confident240 Ų240104.5 Ų104.5100%1.18257%0.565SS**  075.90-178-177.9-91.100107.7
2E45.4Very low72.9Confident162 Ų162103.3 Ų103.376%0.75757%0.566SS**  trans-110.8-2.3-168.9-67.7-173.6125.900114.5L4 I5E2-L4 PolarHBondContact O-N 3.12Å; E2-I5 HydrophobicContact CB-CD1 4.5Å; E2-I5 PolarHBondContact O-N 3.16Å
3F49.3Very low74.8Confident214 Ų21495.5 Ų95.594%0.93952%0.524SS*.THydrogen-bonded Turntrans-754.3-162.4-139.2-94.1000116.1
4L49.8Very low76.4Confident177 Ų17788.7 Ų88.793%0.92749%0.486SS*.THydrogen-bonded Turntrans-126.79.7-178.5-70.1175.3000113.6E2 G6E2-L4 PolarHBondContact O-N 3.12Å; L4-G6 PolarHBondContact O-N 3.41Å
5I62.2Low77.8Confident100 Ų10087.9 Ų87.951%0.51348%0.478SS..  trans-79.1114.7175.2-58.8173.5000107.9E2E2-I5 HydrophobicContact CB-CD1 4.5Å; E2-I5 PolarHBondContact O-N 3.16Å
6G72.2Confident79Confident50 Ų5086.1 Ų86.152%0.51546%0.462SS..  trans-57.6162.317700000112.8L4L4-G6 PolarHBondContact O-N 3.41Å
7S87.8Confident80.1Confident64 Ų6481.1 Ų81.145%0.44844%0.435SS..  trans-45.9131.9-175.3-178.60000111.3F9 S10S7-F9 PolarHBondContact O-N 3.01Å; S7-S10 WeakPolarHBondContact CB-OG 3.48Å; S7-S10 WeakPolarHBondContact O-CB 3.44Å; S7-S10 PolarHBondContact O-N 3.42Å
8P91.4Very high81.1Confident31 Ų3181.3 Ų81.320%0.20143%0.433CS..THydrogen-bonded Turntrans-54.7-24.9179.3-29.937.4000114.6R52 K56P8-R52 HydrophobicContact CB-CB 4.18Å; P8-K56 HydrophobicContact CB-CB 3.9Å; P8-K56 HydrophobicContact CB-CG 4.21Å; P8-K56 HydrophobicContact CG-CB 3.95Å; P8-K56 HydrophobicContact CG-CG 4.07Å
9F95.3Very high81.9Confident21 Ų2183.7 Ų83.79%0.09244%0.435CS..THydrogen-bonded Turntrans-88.1-1.1176.2-56.1-44.5000114.5S7 G14 Q15 E18 A53 K56 R57S7-F9 PolarHBondContact O-N 3.01Å; F9-G14 CarbonylContact O-C 3.38Å; F9-Q15 WeakPolarHBondContact O-CG 3.45Å; F9-Q15 PolarHBondContact O-N 3.26Å; F9-E18 HydrophobicContact CB-CB 4.05Å; F9-E18 HydrophobicContact CB-CG 4.33Å; F9-E18 HydrophobicContact CD1-CB 3.91Å; F9-E18 HydrophobicContact CD2-CB 4.44Å; F9-E18 HydrophobicContact CD2-CG 4.18Å; F9-E18 WeakPolarHBondContact CD2-OE1 3.21Å; F9-E18 HydrophobicContact CE1-CB 4.48Å; F9-E18 HydrophobicContact CG-CB 3.9Å; F9-E18 HydrophobicContact CG-CG 4.12Å; F9-A53 HydrophobicContact CD1-CB 3.94Å; F9-A53 HydrophobicContact CE1-CB 4.02Å; F9-A53 WeakPolarHBondContact CE1-O 3.33Å; F9-K56 HydrophobicContact CE1-CB 4.49Å; F9-K56 HydrophobicContact CE1-CG 4.45Å; F9-K56 HydrophobicContact CE2-CG 3.83Å; F9-K56 HydrophobicContact CZ-CB 4.17Å; F9-K56 HydrophobicContact CZ-CG 3.77Å; F9-R57 HydrophobicContact CE1-CB 4.42Å; F9-R57 HydrophobicContact CZ-CB 4.1Å
10S94.5Very high82.7Confident78 Ų7879.6 Ų79.655%0.54541%0.414SS..SBendtrans-79.7-22.6178.1-65.80000114.1S7 Q15S7-S10 WeakPolarHBondContact CB-OG 3.48Å; S7-S10 WeakPolarHBondContact O-CB 3.44Å; S7-S10 PolarHBondContact O-N 3.42Å; S10-Q15 PolarHBondContact O-NE2 2.76Å
11S95.8Very high83.3Confident13 Ų1375.8 Ų75.89%0.09139%0.394CS..SBendtrans-69.9160.4177.864.20000112V13 G14 Q15 D49S11-V13 PolarHBondContact O-N 3.47Å; S11-G14 WeakPolarHBondContact O-CA 3.44Å; S11-G14 PolarHBondContact O-N 3.11Å; S11-G14 VanDerWaalsContact O-N 3.08Å; S11-G14 WeakPolarHBondContact OG-CA 3.37Å; S11-G14 PolarHBondContact OG-N 2.95Å; S11-Q15 WeakPolarHBondContact O-CG 3.37Å; S11-Q15 PolarHBondContact O-N 2.69Å; S11-D49 WeakPolarHBondContact CB-OD2 3.49Å; S11-D49 PolarHBondContact OG-OD2 3.07Å
12P94.7Very high86.1Confident90 Ų9066 Ų6658%0.58435%0.349SS*.Hα-helixtrans-55-48.6-179.1-26.935.7000113R16P12-R16 PolarHBondContact O-N 3.32Å
13V97.6Very high88.3Confident2 Ų261 Ų611%0.01234%0.336CS..Hα-helixtrans-69-36.1175.471.60000112S11 Q15 R16 I17 I36 I39 I40 D49 A50S11-V13 PolarHBondContact O-N 3.47Å; V13-Q15 VanDerWaalsContact C-N 3.34Å; V13-Q15 PolarHBondContact O-N 3.4Å; V13-R16 PolarHBondContact O-N 3.16Å; V13-R16 VanDerWaalsContact O-N 3.14Å; V13-I17 HydrophobicContact CG2-CD1 3.91Å; V13-I17 HydrophobicContact CG2-CG1 4.46Å; V13-I17 WeakPolarHBondContact O-CG1 3.46Å; V13-I17 PolarHBondContact O-N 3.16Å; V13-I36 HydrophobicContact CG2-CG2 3.94Å; V13-I39 HydrophobicContact CB-CB 4.4Å; V13-I39 HydrophobicContact CB-CG2 3.78Å; V13-I39 HydrophobicContact CG2-CB 4.4Å; V13-I39 HydrophobicContact CG2-CG2 4.27Å; V13-I40 HydrophobicContact CG2-CD1 4.49Å; V13-I40 HydrophobicContact CG2-CG1 4.05Å; V13-D49 HydrophobicContact CG1-CB 3.57Å; V13-A50 HydrophobicContact CG1-CB 4.24Å; V13-A50 HydrophobicContact CG2-CB 4.03Å
14G97.3Very high90.2Very high0 Ų055 Ų550%032%0.32CS..Hα-helixtrans-61.2-40.2177.200000112.9F9 S11 R16 I17 E18F9-G14 CarbonylContact O-C 3.38Å; S11-G14 WeakPolarHBondContact O-CA 3.44Å; S11-G14 PolarHBondContact O-N 3.11Å; S11-G14 VanDerWaalsContact O-N 3.08Å; S11-G14 WeakPolarHBondContact OG-CA 3.37Å; S11-G14 PolarHBondContact OG-N 2.95Å; G14-R16 VanDerWaalsContact C-N 3.33Å; G14-I17 PolarHBondContact O-N 3.34Å; G14-E18 WeakPolarHBondContact O-CB 3.42Å; G14-E18 PolarHBondContact O-N 3.22Å
15Q97.1Very high92.1Very high77 Ų7748.3 Ų48.336%0.3629%0.285SS..Hα-helixtrans-66.9-33175.1-67.9177.334.800112.4F9 S10 S11 V13 R19F9-Q15 WeakPolarHBondContact O-CG 3.45Å; F9-Q15 PolarHBondContact O-N 3.26Å; S10-Q15 PolarHBondContact O-NE2 2.76Å; S11-Q15 WeakPolarHBondContact O-CG 3.37Å; S11-Q15 PolarHBondContact O-N 2.69Å; V13-Q15 VanDerWaalsContact C-N 3.34Å; V13-Q15 PolarHBondContact O-N 3.4Å; Q15-R19 WeakPolarHBondContact O-CG 3.45Å; Q15-R19 PolarHBondContact O-N 2.94Å
16R97.7Very high93.2Very high59 Ų5952.6 Ų52.622%0.22330%0.303CS..Hα-helixtrans-72.6-45.4175.1-65.9-51.6-164.7-85.3-8.8111.4P12 V13 G14 E18 R19 A20 E35 I36 I39P12-R16 PolarHBondContact O-N 3.32Å; V13-R16 PolarHBondContact O-N 3.16Å; V13-R16 VanDerWaalsContact O-N 3.14Å; G14-R16 VanDerWaalsContact C-N 3.33Å; R16-E18 VanDerWaalsContact C-N 3.31Å; R16-E18 PolarHBondContact O-N 3.04Å; R16-R19 PolarHBondContact O-N 2.99Å; R16-A20 WeakPolarHBondContact O-CB 3.18Å; R16-A20 PolarHBondContact O-N 2.87Å; R16-E35 VanDerWaalsContact CD-OE2 3.27Å; R16-E35 WeakPolarHBondContact CD-OE2 3.48Å; R16-E35 IonicContact CZ-OE1 2.68Å; R16-E35 IonicContact CZ-OE2 3.16Å; R16-E35 IonicContact NE-OE1 3.12Å; R16-E35 PolarHBondContact NE-OE1 3.48Å; R16-E35 IonicContact NE-OE2 2.87Å; R16-E35 PolarHBondContact NE-OE2 3.35Å; R16-E35 IonicContact NH2-OE1 2.73Å; R16-E35 PolarHBondContact NH2-OE1 3.13Å; R16-E35 IonicContact NH2-OE2 2.68Å; R16-I36 HydrophobicContact CB-CD1 4.16Å; R16-I36 HydrophobicContact CB-CG1 3.57Å; R16-I39 HydrophobicContact CG-CD1 3.94Å
17I97.9Very high94Very high0 Ų053.1 Ų53.10%030%0.303CS..Hα-helixtrans-57.9-44173.2-68.5161.6000110.6V13 G14 R19 A20 T21 I36 A50 A53 I54 V73V13-I17 HydrophobicContact CG2-CD1 3.91Å; V13-I17 HydrophobicContact CG2-CG1 4.46Å; V13-I17 WeakPolarHBondContact O-CG1 3.46Å; V13-I17 PolarHBondContact O-N 3.16Å; G14-I17 PolarHBondContact O-N 3.34Å; I17-R19 VanDerWaalsContact C-N 3.31Å; I17-R19 PolarHBondContact O-N 3.02Å; I17-A20 PolarHBondContact O-N 2.85Å; I17-T21 HydrophobicContact CG2-CG2 4.45Å; I17-T21 WeakPolarHBondContact O-CB 3.37Å; I17-T21 WeakPolarHBondContact O-CG2 3.43Å; I17-T21 PolarHBondContact O-N 2.93Å; I17-T21 PolarHBondContact O-OG1 2.98Å; I17-I36 HydrophobicContact CB-CD1 4.44Å; I17-I36 HydrophobicContact CD1-CG2 4.28Å; I17-I36 HydrophobicContact CG1-CD1 3.75Å; I17-I36 HydrophobicContact CG1-CG1 4.05Å; I17-I36 HydrophobicContact CG1-CG2 3.98Å; I17-A50 HydrophobicContact CD1-CB 3.85Å; I17-A53 HydrophobicContact CB-CB 4.18Å; I17-A53 HydrophobicContact CD1-CB 3.74Å; I17-A53 HydrophobicContact CG2-CB 4.02Å; I17-I54 HydrophobicContact CD1-CD1 4.49Å; I17-I54 HydrophobicContact CD1-CG1 4.15Å; I17-I54 HydrophobicContact CG2-CG1 4.28Å; I17-V73 HydrophobicContact CG1-CG1 4.33Å
18E96.9Very high94.3Very high86 Ų8654.1 Ų54.140%0.40230%0.3SS..Hα-helixtrans-57.2-43.5177.9-174.2170.7-133.900112F9 G14 R16 S22 R57F9-E18 HydrophobicContact CB-CB 4.05Å; F9-E18 HydrophobicContact CB-CG 4.33Å; F9-E18 HydrophobicContact CD1-CB 3.91Å; F9-E18 HydrophobicContact CD2-CB 4.44Å; F9-E18 HydrophobicContact CD2-CG 4.18Å; F9-E18 WeakPolarHBondContact CD2-OE1 3.21Å; F9-E18 HydrophobicContact CE1-CB 4.48Å; F9-E18 HydrophobicContact CG-CB 3.9Å; F9-E18 HydrophobicContact CG-CG 4.12Å; G14-E18 WeakPolarHBondContact O-CB 3.42Å; G14-E18 PolarHBondContact O-N 3.22Å; R16-E18 VanDerWaalsContact C-N 3.31Å; R16-E18 PolarHBondContact O-N 3.04Å; E18-S22 PolarHBondContact O-N 3.32Å; E18-R57 PolarHBondContact O-NH2 3.02Å
19R97Very high94.5Very high126 Ų12655.1 Ų55.148%0.47530%0.304SS..Hα-helixtrans-68.9-50176.5-66.2173-157.8177.45.5112.5Q15 R16 I17 T21 S22 L25 L32Q15-R19 WeakPolarHBondContact O-CG 3.45Å; Q15-R19 PolarHBondContact O-N 2.94Å; R16-R19 PolarHBondContact O-N 2.99Å; I17-R19 VanDerWaalsContact C-N 3.31Å; I17-R19 PolarHBondContact O-N 3.02Å; R19-T21 PolarHBondContact O-N 3.09Å; R19-T21 VanDerWaalsContact O-N 3.08Å; R19-S22 VanDerWaalsContact O-CB 3.25Å; R19-S22 WeakPolarHBondContact O-CB 3.41Å; R19-S22 PolarHBondContact O-N 3.49Å; R19-S22 VanDerWaalsContact O-N 3.08Å; R19-L25 WeakPolarHBondContact O-CD1 3.48Å; R19-L32 HydrophobicContact CB-CD1 3.98Å
20A97Very high94.5Very high1 Ų160.8 Ų60.81%0.00833%0.325CS..Hα-helixtrans-62.2-15.8-179.800000113.6R16 I17 L25 L32 I36 V73R16-A20 WeakPolarHBondContact O-CB 3.18Å; R16-A20 PolarHBondContact O-N 2.87Å; I17-A20 PolarHBondContact O-N 2.85Å; A20-L25 VanDerWaalsContact C-CD1 3.47Å; A20-L25 VanDerWaalsContact O-CD1 3.28Å; A20-L25 WeakPolarHBondContact O-CD1 3.5Å; A20-L32 HydrophobicContact CB-CB 3.96Å; A20-L32 HydrophobicContact CB-CD1 4.21Å; A20-I36 HydrophobicContact CB-CD1 3.81Å; A20-V73 HydrophobicContact CB-CG2 4.14Å
21T96.8Very high94.7Very high0 Ų060.6 Ų60.60%033%0.328CS..THydrogen-bonded Turntrans-119.222.2179.460.80000112.6I17 R19 R57 E66 L69 A70 V73I17-T21 HydrophobicContact CG2-CG2 4.45Å; I17-T21 WeakPolarHBondContact O-CB 3.37Å; I17-T21 WeakPolarHBondContact O-CG2 3.43Å; I17-T21 PolarHBondContact O-N 2.93Å; I17-T21 PolarHBondContact O-OG1 2.98Å; R19-T21 PolarHBondContact O-N 3.09Å; R19-T21 VanDerWaalsContact O-N 3.08Å; T21-R57 HydrophobicContact CG2-CG 4.27Å; T21-R57 PolarHBondContact O-NH2 2.87Å; T21-R57 PolarHBondContact OG1-NE 2.74Å; T21-R57 PolarHBondContact OG1-NH2 3.39Å; T21-E66 VanDerWaalsContact O-CG 3.28Å; T21-E66 WeakPolarHBondContact O-CG 3.44Å; T21-L69 HydrophobicContact CG2-CB 4.16Å; T21-A70 HydrophobicContact CG2-CB 3.88Å; T21-V73 HydrophobicContact CG2-CG2 3.97Å
22S94.4Very high94.7Very high35 Ų3561.3 Ų61.325%0.24533%0.33CS..  trans-67.5136.8176.4177.90000112E18 R19 S24 L25E18-S22 PolarHBondContact O-N 3.32Å; R19-S22 VanDerWaalsContact O-CB 3.25Å; R19-S22 WeakPolarHBondContact O-CB 3.41Å; R19-S22 PolarHBondContact O-N 3.49Å; R19-S22 VanDerWaalsContact O-N 3.08Å; S22-S24 PolarHBondContact O-N 2.93Å; S22-S24 PolarHBondContact OG-N 3.02Å; S22-S24 PolarHBondContact OG-OG 3.42Å; S22-L25 PolarHBondContact O-N 3.44Å
23A90.9Very high94.9Very high58 Ų5857.1 Ų57.148%0.47930%0.303SS..THydrogen-bonded Turntrans-58.6-6.116900000115.5M65 E66A23-M65 VanDerWaalsContact O-CE 3.26Å; A23-M65 WeakPolarHBondContact O-CE 3.41Å; A23-E66 HydrophobicContact CB-CG 3.96Å; A23-E66 WeakPolarHBondContact CB-OE1 3.38Å; A23-E66 PolarHBondContact N-OE1 3.24Å; A23-E66 VanDerWaalsContact N-OE1 3.1Å
24S90.4Very high94.9Very high86 Ų8660.1 Ų60.160%0.60132%0.318SS*.THydrogen-bonded Turntrans-87.2-13.8173.465.10000114.5S22 H26S22-S24 PolarHBondContact O-N 2.93Å; S22-S24 PolarHBondContact OG-N 3.02Å; S22-S24 PolarHBondContact OG-OG 3.42Å; S24-H26 PolarHBondContact O-ND1 3.13Å; S24-H26 VanDerWaalsContact O-ND1 3.11Å
25L89.6Confident94.9Very high37 Ų3763.1 Ų63.119%0.19433%0.332CS..  trans-77.7132.2179.6-80.1162.1000110.6R19 A20 S22 D29 M65 L69R19-L25 WeakPolarHBondContact O-CD1 3.48Å; A20-L25 VanDerWaalsContact C-CD1 3.47Å; A20-L25 VanDerWaalsContact O-CD1 3.28Å; A20-L25 WeakPolarHBondContact O-CD1 3.5Å; S22-L25 PolarHBondContact O-N 3.44Å; L25-D29 HydrophobicContact CD2-CB 4.24Å; L25-M65 WeakPolarHBondContact O-CE 3.42Å; L25-L69 HydrophobicContact CB-CD1 3.94Å; L25-L69 HydrophobicContact CD1-CD1 4.35Å
26H84Confident95Very high190 Ų19059.4 Ų59.488%0.8832%0.315SS*.SBendtrans-95.4-14.4178.2-65.960.5000112.5S24S24-H26 PolarHBondContact O-ND1 3.13Å; S24-H26 VanDerWaalsContact O-ND1 3.11Å
27A89.8Confident95Very high62 Ų6256.7 Ų56.751%0.51231%0.305SS..SBendtrans-153.9172.5178.800000109.2D29A27-D29 PolarHBondContact O-N 3.31Å
28E93.8Very high95Very high84 Ų8460.8 Ų60.839%0.39333%0.327SS..  trans-66.3127.2177.6-64.179.4-176.500112.8W30 L69 T72E28-W30 PolarHBondContact O-N 3.43Å; E28-L69 HydrophobicContact CG-CD2 4.19Å; E28-T72 HydrophobicContact CG-CG2 3.83Å
29D95Very high95.1Very high53 Ų5358 Ų5828%0.28331%0.314SS..  trans-83.189.8166.8-169.5-31.5000109.6L25 A27 A31 L32 N33L25-D29 HydrophobicContact CD2-CB 4.24Å; A27-D29 PolarHBondContact O-N 3.31Å; D29-A31 PolarHBondContact O-N 3.05Å; D29-A31 WeakPolarHBondContact OD1-CB 3.38Å; D29-A31 PolarHBondContact OD1-N 3.31Å; D29-A31 VanDerWaalsContact OD1-N 3.1Å; D29-L32 HydrophobicContact CB-CB 4.11Å; D29-L32 HydrophobicContact CB-CD1 4.04Å; D29-L32 HydrophobicContact CB-CG 4.23Å; D29-L32 PolarHBondContact O-N 3.48Å; D29-L32 PolarHBondContact OD1-N 2.84Å; D29-L32 VanDerWaalsContact OD2-CD1 3.3Å; D29-L32 WeakPolarHBondContact OD2-CD1 3.48Å; D29-L32 WeakPolarHBondContact OD2-CG 3.3Å; D29-N33 PolarHBondContact O-N 3.25Å; D29-N33 PolarHBondContact O-OD1 3.16Å
30W97.1Very high95.1Very high139 Ų13952 Ų5253%0.52729%0.292SS..Hα-helixtrans-63.9-25.8179.5-76102.8000113.7E28 N33 M34 T72 A76E28-W30 PolarHBondContact O-N 3.43Å; W30-N33 HydrophobicContact CE3-CB 4.18Å; W30-N33 PolarHBondContact O-N 3Å; W30-M34 HydrophobicContact CE3-CE 4.08Å; W30-M34 HydrophobicContact CZ3-CE 4.21Å; W30-M34 WeakPolarHBondContact O-CG 3.44Å; W30-M34 PolarHBondContact O-N 2.92Å; W30-T72 HydrophobicContact CH2-CG2 4.01Å; W30-T72 HydrophobicContact CZ2-CG2 4.14Å; W30-A76 HydrophobicContact CZ3-CB 4.17Å
31A96.9Very high95.2Very high75 Ų7555.3 Ų55.362%0.6231%0.309SS*.Hα-helixtrans-69.7-45.5175.800000110.7D29 N33 M34 E35D29-A31 PolarHBondContact O-N 3.05Å; D29-A31 WeakPolarHBondContact OD1-CB 3.38Å; D29-A31 PolarHBondContact OD1-N 3.31Å; D29-A31 VanDerWaalsContact OD1-N 3.1Å; A31-N33 VanDerWaalsContact C-N 3.34Å; A31-M34 PolarHBondContact O-N 3.22Å; A31-E35 PolarHBondContact O-N 3.24Å
32L97.1Very high95.2Very high27 Ų2763 Ų6314%0.14135%0.345CS..Hα-helixtrans-64-38171.8-70.6178.1000112.2R19 A20 D29 M34 E35 I36R19-L32 HydrophobicContact CB-CD1 3.98Å; A20-L32 HydrophobicContact CB-CB 3.96Å; A20-L32 HydrophobicContact CB-CD1 4.21Å; D29-L32 HydrophobicContact CB-CB 4.11Å; D29-L32 HydrophobicContact CB-CD1 4.04Å; D29-L32 HydrophobicContact CB-CG 4.23Å; D29-L32 PolarHBondContact O-N 3.48Å; D29-L32 PolarHBondContact OD1-N 2.84Å; D29-L32 VanDerWaalsContact OD2-CD1 3.3Å; D29-L32 WeakPolarHBondContact OD2-CD1 3.48Å; D29-L32 WeakPolarHBondContact OD2-CG 3.3Å; L32-M34 VanDerWaalsContact C-N 3.33Å; L32-M34 PolarHBondContact O-N 3.35Å; L32-E35 PolarHBondContact O-N 3.11Å; L32-I36 WeakPolarHBondContact O-CB 3.28Å; L32-I36 WeakPolarHBondContact O-CD1 3.18Å; L32-I36 WeakPolarHBondContact O-CG1 3.45Å; L32-I36 PolarHBondContact O-N 2.97Å
33N97.9Very high95.3Very high3 Ų364 Ų642%0.01635%0.35CS..Hα-helixtrans-62.5-39.6177.7-68-9.9000112.2D29 W30 A31 C37 V73D29-N33 PolarHBondContact O-N 3.25Å; D29-N33 PolarHBondContact O-OD1 3.16Å; W30-N33 HydrophobicContact CE3-CB 4.18Å; W30-N33 PolarHBondContact O-N 3Å; A31-N33 VanDerWaalsContact C-N 3.34Å; N33-C37 PolarHBondContact O-N 3.19Å; N33-C37 PolarHBondContact O-SG 3.02Å; N33-V73 VanDerWaalsContact OD1-CG2 3.27Å; N33-V73 WeakPolarHBondContact OD1-CG2 3.43Å
34M98.3Very high95.4Very high64 Ų6467.6 Ų67.632%0.31536%0.361SS..Hα-helixtrans-71.3-43.8175.1-66-58.610400111.5W30 A31 L32 I36 C37 D38 A76W30-M34 HydrophobicContact CE3-CE 4.08Å; W30-M34 HydrophobicContact CZ3-CE 4.21Å; W30-M34 WeakPolarHBondContact O-CG 3.44Å; W30-M34 PolarHBondContact O-N 2.92Å; A31-M34 PolarHBondContact O-N 3.22Å; L32-M34 VanDerWaalsContact C-N 3.33Å; L32-M34 PolarHBondContact O-N 3.35Å; M34-I36 PolarHBondContact O-N 3.29Å; M34-C37 WeakPolarHBondContact O-CA 3.21Å; M34-C37 WeakPolarHBondContact O-CB 3.44Å; M34-C37 PolarHBondContact O-N 3.11Å; M34-D38 PolarHBondContact O-N 3.46Å; M34-A76 HydrophobicContact CE-CB 4.21Å
35E97.9Very high95.7Very high63 Ų6368 Ų6829%0.29435%0.353SS..Hα-helixtrans-56.9-36.4174.6-169.2-170.2-173.500112R16 A31 L32 D38 I39R16-E35 VanDerWaalsContact CD-OE2 3.27Å; R16-E35 WeakPolarHBondContact CD-OE2 3.48Å; R16-E35 IonicContact CZ-OE1 2.68Å; R16-E35 IonicContact CZ-OE2 3.16Å; R16-E35 IonicContact NE-OE1 3.12Å; R16-E35 PolarHBondContact NE-OE1 3.48Å; R16-E35 IonicContact NE-OE2 2.87Å; R16-E35 PolarHBondContact NE-OE2 3.35Å; R16-E35 IonicContact NH2-OE1 2.73Å; R16-E35 PolarHBondContact NH2-OE1 3.13Å; R16-E35 IonicContact NH2-OE2 2.68Å; A31-E35 PolarHBondContact O-N 3.24Å; L32-E35 PolarHBondContact O-N 3.11Å; E35-D38 PolarHBondContact O-N 3.09Å; E35-I39 HydrophobicContact CG-CD1 4.14Å; E35-I39 WeakPolarHBondContact O-CD1 3.47Å; E35-I39 VanDerWaalsContact O-CG1 3.23Å; E35-I39 WeakPolarHBondContact O-CG1 3.4Å; E35-I39 PolarHBondContact O-N 3.34Å
36I98.6Very high96Very high0 Ų066.4 Ų66.40%035%0.346CS..Hα-helixtrans-62.9-44.1173.1-71.1160.3000111.2V13 R16 I17 A20 L32 M34 I39 I40 V73V13-I36 HydrophobicContact CG2-CG2 3.94Å; R16-I36 HydrophobicContact CB-CD1 4.16Å; R16-I36 HydrophobicContact CB-CG1 3.57Å; I17-I36 HydrophobicContact CB-CD1 4.44Å; I17-I36 HydrophobicContact CD1-CG2 4.28Å; I17-I36 HydrophobicContact CG1-CD1 3.75Å; I17-I36 HydrophobicContact CG1-CG1 4.05Å; I17-I36 HydrophobicContact CG1-CG2 3.98Å; A20-I36 HydrophobicContact CB-CD1 3.81Å; L32-I36 WeakPolarHBondContact O-CB 3.28Å; L32-I36 WeakPolarHBondContact O-CD1 3.18Å; L32-I36 WeakPolarHBondContact O-CG1 3.45Å; L32-I36 PolarHBondContact O-N 2.97Å; M34-I36 PolarHBondContact O-N 3.29Å; I36-I39 PolarHBondContact O-N 3.04Å; I36-I40 HydrophobicContact CG2-CD1 3.8Å; I36-I40 WeakPolarHBondContact O-CD1 3.43Å; I36-I40 WeakPolarHBondContact O-CG1 3.34Å; I36-I40 PolarHBondContact O-N 3.47Å; I36-I40 VanDerWaalsContact O-N 3.07Å; I36-V73 HydrophobicContact CD1-CG1 4.05Å; I36-V73 HydrophobicContact CG2-CG1 4.24Å
37C98.2Very high96.7Very high2 Ų257.6 Ų57.61%0.01431%0.305CS..Hα-helixtrans-64.3-41.5178-62.50000111.6N33 M34 I40 N41 N80N33-C37 PolarHBondContact O-N 3.19Å; N33-C37 PolarHBondContact O-SG 3.02Å; M34-C37 WeakPolarHBondContact O-CA 3.21Å; M34-C37 WeakPolarHBondContact O-CB 3.44Å; M34-C37 PolarHBondContact O-N 3.11Å; C37-I40 PolarHBondContact O-N 3.1Å; C37-N41 PolarHBondContact O-N 3.4Å; C37-N41 PolarHBondContact O-ND2 2.82Å; C37-N80 HydrophobicContact CB-CB 4.05Å
38D97.9Very high97.1Very high86 Ų8659.3 Ų59.346%0.4630%0.301SS..Hα-helixtrans-60.3-50.5176.5-63-29.7000110.7M34 E35 I40 N41 E42M34-D38 PolarHBondContact O-N 3.46Å; E35-D38 PolarHBondContact O-N 3.09Å; D38-I40 VanDerWaalsContact C-N 3.28Å; D38-I40 PolarHBondContact O-N 3.2Å; D38-N41 PolarHBondContact O-N 3.34Å; D38-N41 VanDerWaalsContact O-N 3.08Å; D38-E42 WeakPolarHBondContact O-CB 3.42Å; D38-E42 WeakPolarHBondContact O-CG 3.38Å; D38-E42 PolarHBondContact O-N 3.34Å
39I98Very high97.2Very high27 Ų2756.5 Ų56.514%0.13829%0.289CS..Hα-helixtrans-60.6-36.5178.1-62161.4000111.8V13 R16 E35 I36 T43V13-I39 HydrophobicContact CB-CB 4.4Å; V13-I39 HydrophobicContact CB-CG2 3.78Å; V13-I39 HydrophobicContact CG2-CB 4.4Å; V13-I39 HydrophobicContact CG2-CG2 4.27Å; R16-I39 HydrophobicContact CG-CD1 3.94Å; E35-I39 HydrophobicContact CG-CD1 4.14Å; E35-I39 WeakPolarHBondContact O-CD1 3.47Å; E35-I39 VanDerWaalsContact O-CG1 3.23Å; E35-I39 WeakPolarHBondContact O-CG1 3.4Å; E35-I39 PolarHBondContact O-N 3.34Å; I36-I39 PolarHBondContact O-N 3.04Å; I39-T43 HydrophobicContact CG2-CG2 4.25Å; I39-T43 WeakPolarHBondContact O-CB 3.36Å; I39-T43 PolarHBondContact O-N 2.89Å; I39-T43 PolarHBondContact O-OG1 3.1Å
40I98.4Very high97.4Very high1 Ų154 Ų541%0.00528%0.275CS..Hα-helixtrans-65.8-39.7176.5-70.4164.9000111.3V13 I36 C37 D38 P47 A50 C77 C81 F85V13-I40 HydrophobicContact CG2-CD1 4.49Å; V13-I40 HydrophobicContact CG2-CG1 4.05Å; I36-I40 HydrophobicContact CG2-CD1 3.8Å; I36-I40 WeakPolarHBondContact O-CD1 3.43Å; I36-I40 WeakPolarHBondContact O-CG1 3.34Å; I36-I40 PolarHBondContact O-N 3.47Å; I36-I40 VanDerWaalsContact O-N 3.07Å; C37-I40 PolarHBondContact O-N 3.1Å; D38-I40 VanDerWaalsContact C-N 3.28Å; D38-I40 PolarHBondContact O-N 3.2Å; I40-P47 HydrophobicContact CG2-CB 4.28Å; I40-P47 HydrophobicContact CG2-CG 3.95Å; I40-P47 WeakPolarHBondContact O-CD 3.43Å; I40-A50 HydrophobicContact CD1-CB 3.51Å; I40-A50 HydrophobicContact CG1-CB 3.69Å; I40-C77 HydrophobicContact CD1-CB 4.13Å; I40-C77 WeakPolarHBondContact CD1-SG 3.45Å; I40-C81 HydrophobicContact CG2-CB 3.88Å; I40-C81 WeakPolarHBondContact CG2-SG 3.48Å; I40-F85 HydrophobicContact CD1-CD2 4.39Å; I40-F85 HydrophobicContact CD1-CE2 4.16Å; I40-F85 HydrophobicContact CG2-CB 4.09Å; I40-F85 HydrophobicContact CG2-CD2 3.91Å; I40-F85 HydrophobicContact CG2-CG 4.18Å
41N97.4Very high97.5Very high69 Ų6948.3 Ų48.337%0.36926%0.256SS..Hα-helixtrans-76.5-41.1-179.1-75.2-35.6000112.3C37 D38 N80 C81 G82C37-N41 PolarHBondContact O-N 3.4Å; C37-N41 PolarHBondContact O-ND2 2.82Å; D38-N41 PolarHBondContact O-N 3.34Å; D38-N41 VanDerWaalsContact O-N 3.08Å; N41-N80 PolarHBondContact ND2-O 3.43Å; N41-C81 VanDerWaalsContact OD1-CA 3.31Å; N41-C81 WeakPolarHBondContact OD1-CA 3.22Å; N41-G82 PolarHBondContact OD1-N 3.27Å
42E97Very high97.5Very high163 Ų16348.1 Ų48.176%0.76224%0.239SC*.Hα-helixtrans-79.1-22.2-175-69.3-174.7166.600114.7D38D38-E42 WeakPolarHBondContact O-CB 3.42Å; D38-E42 WeakPolarHBondContact O-CG 3.38Å; D38-E42 PolarHBondContact O-N 3.34Å
43T96.1Very high97.5Very high56 Ų5646.9 Ų46.934%0.34423%0.232SC..  trans-115.1148.1-172.970.40000113.7I39 G46 R84I39-T43 HydrophobicContact CG2-CG2 4.25Å; I39-T43 WeakPolarHBondContact O-CB 3.36Å; I39-T43 PolarHBondContact O-N 2.89Å; I39-T43 PolarHBondContact O-OG1 3.1Å; T43-G46 WeakPolarHBondContact OG1-CA 3.4Å; T43-G46 PolarHBondContact OG1-N 3.41Å; T43-G46 VanDerWaalsContact OG1-N 3.11Å; T43-R84 PolarHBondContact O-NH1 3.4Å; T43-R84 PolarHBondContact O-NH2 2.99Å
44D94.5Very high97.5Very high132 Ų13246.7 Ų46.771%0.70623%0.232SC*.SBendtrans-68-40.5-178.3-78-44.3000113.5R84D44-R84 VanDerWaalsContact C-NH2 3.32Å; D44-R84 VanDerWaalsContact CA-NH2 3.26Å; D44-R84 PolarHBondContact O-NH2 3.05Å
45E95.6Very high97.5Very high96 Ų9648.5 Ų48.545%0.44924%0.238SC..SBendtrans-91.3-13.3-179.9-63.5-57.1125.900113.7K48 D49E45-K48 PolarHBondContact O-N 3.41Å; E45-K48 IonicContact OE1-NZ 3.89Å; E45-K48 PolarHBondContact OE1-NZ 3.04Å; E45-K48 WeakPolarHBondContact OE2-CD 3.33Å; E45-K48 IonicContact OE2-NZ 3.89Å; E45-K48 PolarHBondContact OE2-NZ 3.49Å; E45-D49 WeakPolarHBondContact O-CB 3.49Å; E45-D49 PolarHBondContact O-N 3.35Å
46G97Very high97.4Very high3 Ų351.2 Ų51.23%0.03125%0.248CC..Hα-helixtrans-45.4-49.7-179.900000114.7T43 K48 D49 A50T43-G46 WeakPolarHBondContact OG1-CA 3.4Å; T43-G46 PolarHBondContact OG1-N 3.41Å; T43-G46 VanDerWaalsContact OG1-N 3.11Å; G46-K48 PolarHBondContact O-N 2.82Å; G46-D49 PolarHBondContact O-N 3.4Å; G46-A50 VanDerWaalsContact O-CB 3.26Å; G46-A50 WeakPolarHBondContact O-CB 3.37Å; G46-A50 PolarHBondContact O-N 2.64Å
47P97.9Very high97.2Very high4 Ų452.4 Ų52.43%0.02625%0.253CS..Hα-helixtrans-60-44.5178.4-24.132.7000113.8I40 V51 R84 F85 L88I40-P47 HydrophobicContact CG2-CB 4.28Å; I40-P47 HydrophobicContact CG2-CG 3.95Å; I40-P47 WeakPolarHBondContact O-CD 3.43Å; P47-V51 WeakPolarHBondContact O-CB 3.33Å; P47-V51 VanDerWaalsContact O-CG2 3.27Å; P47-V51 WeakPolarHBondContact O-CG2 3.49Å; P47-V51 PolarHBondContact O-N 3.5Å; P47-V51 VanDerWaalsContact O-N 3.12Å; P47-R84 HydrophobicContact CG-CB 4.3Å; P47-F85 HydrophobicContact CB-CB 4.34Å; P47-F85 HydrophobicContact CB-CD2 4.15Å; P47-L88 HydrophobicContact CB-CD1 3.85Å
48K97.5Very high97.1Very high98 Ų9852.5 Ų52.543%0.42625%0.253SS..Hα-helixtrans-68.1-42.9-179.7-57.9-179.1-150.7146.50110.5E45 G46 V51 R52 L88E45-K48 PolarHBondContact O-N 3.41Å; E45-K48 IonicContact OE1-NZ 3.89Å; E45-K48 PolarHBondContact OE1-NZ 3.04Å; E45-K48 WeakPolarHBondContact OE2-CD 3.33Å; E45-K48 IonicContact OE2-NZ 3.89Å; E45-K48 PolarHBondContact OE2-NZ 3.49Å; G46-K48 PolarHBondContact O-N 2.82Å; K48-V51 PolarHBondContact O-N 3.2Å; K48-R52 WeakPolarHBondContact O-CG 3.44Å; K48-R52 PolarHBondContact O-N 3.24Å; K48-L88 HydrophobicContact CG-CD1 4.07Å
49D97.9Very high96.9Very high25 Ų2550.3 Ų50.313%0.13424%0.243CC..Hα-helixtrans-68.5-40.1-177.8-81.314.2000112.2S11 V13 E45 G46 R52 A53S11-D49 WeakPolarHBondContact CB-OD2 3.49Å; S11-D49 PolarHBondContact OG-OD2 3.07Å; V13-D49 HydrophobicContact CG1-CB 3.57Å; E45-D49 WeakPolarHBondContact O-CB 3.49Å; E45-D49 PolarHBondContact O-N 3.35Å; G46-D49 PolarHBondContact O-N 3.4Å; D49-R52 PolarHBondContact O-N 3.1Å; D49-R52 IonicContact OD1-CZ 2.68Å; D49-R52 IonicContact OD1-NE 3.95Å; D49-R52 PolarHBondContact OD1-NE 3.43Å; D49-R52 IonicContact OD1-NH2 3.28Å; D49-R52 PolarHBondContact OD1-NH2 2.98Å; D49-R52 IonicContact OD2-NH2 2.9Å; D49-R52 PolarHBondContact OD2-NH2 3.37Å; D49-A53 WeakPolarHBondContact O-CB 3.47Å; D49-A53 PolarHBondContact O-N 3.47Å
50A98.3Very high96.2Very high0 Ų052.8 Ų52.80%028%0.275CS..Hα-helixtrans-61.1-47.1172.600000111.7V13 I17 I40 G46 R52 A53 I54 F85V13-A50 HydrophobicContact CG1-CB 4.24Å; V13-A50 HydrophobicContact CG2-CB 4.03Å; I17-A50 HydrophobicContact CD1-CB 3.85Å; I40-A50 HydrophobicContact CD1-CB 3.51Å; I40-A50 HydrophobicContact CG1-CB 3.69Å; G46-A50 VanDerWaalsContact O-CB 3.26Å; G46-A50 WeakPolarHBondContact O-CB 3.37Å; G46-A50 PolarHBondContact O-N 2.64Å; A50-R52 VanDerWaalsContact C-N 3.32Å; A50-R52 PolarHBondContact O-N 3.21Å; A50-A53 PolarHBondContact O-N 3.32Å; A50-I54 WeakPolarHBondContact O-CB 3.44Å; A50-I54 WeakPolarHBondContact O-CG1 3.27Å; A50-I54 PolarHBondContact O-N 2.93Å; A50-F85 HydrophobicContact CB-CE2 4.16Å
51V98.1Very high95.8Very high20 Ų2054.9 Ų54.912%0.12129%0.286CS..Hα-helixtrans-58.2-42.7176.1165.10000111.8P47 K48 K55 F85 L88 V89 F94P47-V51 WeakPolarHBondContact O-CB 3.33Å; P47-V51 VanDerWaalsContact O-CG2 3.27Å; P47-V51 WeakPolarHBondContact O-CG2 3.49Å; P47-V51 PolarHBondContact O-N 3.5Å; P47-V51 VanDerWaalsContact O-N 3.12Å; K48-V51 PolarHBondContact O-N 3.2Å; V51-K55 WeakPolarHBondContact O-CB 3.36Å; V51-K55 PolarHBondContact O-N 3.46Å; V51-F85 HydrophobicContact CG2-CD2 4.31Å; V51-F85 HydrophobicContact CG2-CE2 3.8Å; V51-F85 HydrophobicContact CG2-CZ 4.48Å; V51-L88 HydrophobicContact CG2-CB 3.87Å; V51-L88 HydrophobicContact CG2-CD1 4.18Å; V51-V89 HydrophobicContact CG2-CG1 3.65Å; V51-F94 HydrophobicContact CG1-CD2 3.8Å; V51-F94 HydrophobicContact CG1-CE2 3.85Å
52R97.4Very high95.3Very high72 Ų7260.8 Ų60.827%0.27231%0.308SS..Hα-helixtrans-63.6-43.7175.6-69.2-174.4-53115.1-9.3111.9P8 K48 D49 A50 K56P8-R52 HydrophobicContact CB-CB 4.18Å; K48-R52 WeakPolarHBondContact O-CG 3.44Å; K48-R52 PolarHBondContact O-N 3.24Å; D49-R52 PolarHBondContact O-N 3.1Å; D49-R52 IonicContact OD1-CZ 2.68Å; D49-R52 IonicContact OD1-NE 3.95Å; D49-R52 PolarHBondContact OD1-NE 3.43Å; D49-R52 IonicContact OD1-NH2 3.28Å; D49-R52 PolarHBondContact OD1-NH2 2.98Å; D49-R52 IonicContact OD2-NH2 2.9Å; D49-R52 PolarHBondContact OD2-NH2 3.37Å; A50-R52 VanDerWaalsContact C-N 3.32Å; A50-R52 PolarHBondContact O-N 3.21Å; R52-K56 VanDerWaalsContact O-CB 3.3Å; R52-K56 WeakPolarHBondContact O-CB 3.35Å; R52-K56 PolarHBondContact O-N 3.3Å
53A97.6Very high95.1Very high0 Ų054.8 Ų54.80%029%0.285CS..Hα-helixtrans-67.5-46.7179.800000112.4F9 I17 D49 A50 K56 R57F9-A53 HydrophobicContact CD1-CB 3.94Å; F9-A53 HydrophobicContact CE1-CB 4.02Å; F9-A53 WeakPolarHBondContact CE1-O 3.33Å; I17-A53 HydrophobicContact CB-CB 4.18Å; I17-A53 HydrophobicContact CD1-CB 3.74Å; I17-A53 HydrophobicContact CG2-CB 4.02Å; D49-A53 WeakPolarHBondContact O-CB 3.47Å; D49-A53 PolarHBondContact O-N 3.47Å; A50-A53 PolarHBondContact O-N 3.32Å; A53-K56 WeakPolarHBondContact O-CB 3.42Å; A53-K56 PolarHBondContact O-N 2.92Å; A53-R57 PolarHBondContact O-N 3.5Å
54I98.1Very high94.9Very high0 Ų056 Ų560%029%0.285CS..Hα-helixtrans-61.2-47.8176.3-67.8165.9000110.4I17 A50 K56 R57 I58 V73 L74 F85 F94I17-I54 HydrophobicContact CD1-CD1 4.49Å; I17-I54 HydrophobicContact CD1-CG1 4.15Å; I17-I54 HydrophobicContact CG2-CG1 4.28Å; A50-I54 WeakPolarHBondContact O-CB 3.44Å; A50-I54 WeakPolarHBondContact O-CG1 3.27Å; A50-I54 PolarHBondContact O-N 2.93Å; I54-K56 VanDerWaalsContact C-N 3.27Å; I54-K56 PolarHBondContact O-N 3.19Å; I54-R57 PolarHBondContact O-N 2.99Å; I54-I58 HydrophobicContact CG2-CD1 3.71Å; I54-I58 HydrophobicContact CG2-CG1 4.45Å; I54-I58 PolarHBondContact O-N 2.9Å; I54-V73 HydrophobicContact CD1-CG1 4.37Å; I54-L74 HydrophobicContact CD1-CB 4.26Å; I54-L74 HydrophobicContact CD1-CD1 4.13Å; I54-L74 HydrophobicContact CG2-CB 4.12Å; I54-L74 HydrophobicContact CG2-CD1 4.34Å; I54-L74 HydrophobicContact CG2-CD2 4.06Å; I54-L74 HydrophobicContact CG2-CG 4.4Å; I54-F85 HydrophobicContact CD1-CZ 4.5Å; I54-F94 HydrophobicContact CG2-CZ 4.47Å
55K97.3Very high94.9Very high101 Ų10153.7 Ų53.744%0.43927%0.271SS..Hα-helixtrans-55.9-42.1174.4175.9165.3-177176.60111.8V51 R57 V59 V98V51-K55 WeakPolarHBondContact O-CB 3.36Å; V51-K55 PolarHBondContact O-N 3.46Å; K55-R57 VanDerWaalsContact C-N 3.35Å; K55-V59 HydrophobicContact CG-CG2 4.19Å; K55-V59 WeakPolarHBondContact O-CB 3.46Å; K55-V59 WeakPolarHBondContact O-CG2 3.47Å; K55-V59 PolarHBondContact O-N 3.3Å; K55-V98 HydrophobicContact CB-CG2 3.99Å; K55-V98 HydrophobicContact CD-CG2 3.93Å; K55-V98 HydrophobicContact CG-CG2 3.76Å
56K95.8Very high94.9Very high120 Ų12050.3 Ų50.352%0.52226%0.255SS..Hα-helixtrans-66.9-32.3177.3177.758-174.4167.40113.1P8 F9 R52 A53 I54P8-K56 HydrophobicContact CB-CB 3.9Å; P8-K56 HydrophobicContact CB-CG 4.21Å; P8-K56 HydrophobicContact CG-CB 3.95Å; P8-K56 HydrophobicContact CG-CG 4.07Å; F9-K56 HydrophobicContact CE1-CB 4.49Å; F9-K56 HydrophobicContact CE1-CG 4.45Å; F9-K56 HydrophobicContact CE2-CG 3.83Å; F9-K56 HydrophobicContact CZ-CB 4.17Å; F9-K56 HydrophobicContact CZ-CG 3.77Å; R52-K56 VanDerWaalsContact O-CB 3.3Å; R52-K56 WeakPolarHBondContact O-CB 3.35Å; R52-K56 PolarHBondContact O-N 3.3Å; A53-K56 WeakPolarHBondContact O-CB 3.42Å; A53-K56 PolarHBondContact O-N 2.92Å; I54-K56 VanDerWaalsContact C-N 3.27Å; I54-K56 PolarHBondContact O-N 3.19Å
57R95.9Very high94.8Very high26 Ų2650.5 Ų50.510%0.09826%0.256CS..Hα-helixtrans-78.5-33.8178.4-176.360.482.2175.710.1113.4F9 E18 T21 A53 I54 K55 N61 E66 A70F9-R57 HydrophobicContact CE1-CB 4.42Å; F9-R57 HydrophobicContact CZ-CB 4.1Å; E18-R57 PolarHBondContact O-NH2 3.02Å; T21-R57 HydrophobicContact CG2-CG 4.27Å; T21-R57 PolarHBondContact O-NH2 2.87Å; T21-R57 PolarHBondContact OG1-NE 2.74Å; T21-R57 PolarHBondContact OG1-NH2 3.39Å; A53-R57 PolarHBondContact O-N 3.5Å; I54-R57 PolarHBondContact O-N 2.99Å; K55-R57 VanDerWaalsContact C-N 3.35Å; R57-N61 WeakPolarHBondContact O-CB 3.44Å; R57-N61 PolarHBondContact O-ND2 3.24Å; R57-E66 IonicContact CZ-OE1 2.84Å; R57-E66 IonicContact CZ-OE2 2.75Å; R57-E66 IonicContact NE-OE2 2.7Å; R57-E66 IonicContact NH1-OE1 2.63Å; R57-E66 PolarHBondContact NH1-OE1 2.91Å; R57-E66 IonicContact NH1-OE2 2.85Å; R57-E66 PolarHBondContact NH1-OE2 2.67Å; R57-A70 HydrophobicContact CB-CB 4.17Å; R57-A70 HydrophobicContact CG-CB 3.69Å
58I95.9Very high94.7Very high4 Ų453 Ų532%0.02127%0.267CS..Hα-helixtrans-84.3-50.6-179.5-63.8173.7000111.3I54 G60 N61 I67 A70 L71 L74 V98 A102I54-I58 HydrophobicContact CG2-CD1 3.71Å; I54-I58 HydrophobicContact CG2-CG1 4.45Å; I54-I58 PolarHBondContact O-N 2.9Å; I58-G60 PolarHBondContact O-N 2.92Å; I58-N61 PolarHBondContact O-N 3.24Å; I58-I67 HydrophobicContact CG1-CG2 4.39Å; I58-I67 HydrophobicContact CG2-CG2 4.19Å; I58-A70 HydrophobicContact CD1-CB 4.19Å; I58-A70 HydrophobicContact CG1-CB 3.73Å; I58-L71 HydrophobicContact CD1-CD2 3.89Å; I58-L71 HydrophobicContact CD1-CG 4.37Å; I58-L74 HydrophobicContact CD1-CD2 4.37Å; I58-V98 HydrophobicContact CB-CG1 3.89Å; I58-V98 HydrophobicContact CD1-CG1 3.8Å; I58-V98 HydrophobicContact CG1-CG1 4.42Å; I58-V98 HydrophobicContact CG2-CG1 3.83Å; I58-A102 HydrophobicContact CG2-CB 3.85Å
59V93.2Very high94.7Very high40 Ų4048.8 Ų48.824%0.24225%0.25CC..THydrogen-bonded Turntrans-77.6114.8-168.4-179.20000111.9K55 N61 G97 V98K55-V59 HydrophobicContact CG-CG2 4.19Å; K55-V59 WeakPolarHBondContact O-CB 3.46Å; K55-V59 WeakPolarHBondContact O-CG2 3.47Å; K55-V59 PolarHBondContact O-N 3.3Å; V59-N61 VanDerWaalsContact C-N 3.34Å; V59-G97 WeakPolarHBondContact CG2-O 3.38Å; V59-V98 HydrophobicContact CG2-CB 4.38Å; V59-V98 HydrophobicContact CG2-CG1 4.26Å; V59-V98 HydrophobicContact CG2-CG2 4.23Å
60G83.8Confident94.7Very high78 Ų7847.6 Ų47.680%0.80424%0.244SC*.THydrogen-bonded Turntrans838.3177.400000114.5I58I58-G60 PolarHBondContact O-N 2.92Å
61N89.6Confident94.7Very high45 Ų4547.6 Ų47.624%0.24124%0.244CC..  trans-77.5149.5171.5-164.1-12.2000110.7R57 I58 V59 S63 E66 I67R57-N61 WeakPolarHBondContact O-CB 3.44Å; R57-N61 PolarHBondContact O-ND2 3.24Å; I58-N61 PolarHBondContact O-N 3.24Å; V59-N61 VanDerWaalsContact C-N 3.34Å; N61-S63 PolarHBondContact OD1-N 2.9Å; N61-E66 PolarHBondContact ND2-OE2 3.22Å; N61-I67 HydrophobicContact CB-CD1 4.19Å; N61-I67 HydrophobicContact CB-CG1 4.04Å
62K87.7Confident94.7Very high193 Ų19347 Ų4784%0.83924%0.24SC*.  trans-106.7-15.4177.6-62.1-176.3179.9-177.60113F64K62-F64 PolarHBondContact O-N 3.25Å
63S92.4Very high94.7Very high38 Ų3843.7 Ų43.727%0.26623%0.227SC..  trans-84.3103.5175.8-1780000109.7N61 M65 E66 I67N61-S63 PolarHBondContact OD1-N 2.9Å; S63-M65 PolarHBondContact O-N 3.05Å; S63-E66 PolarHBondContact O-N 3.42Å; S63-E66 PolarHBondContact OG-N 2.86Å; S63-I67 WeakPolarHBondContact O-CG1 3.48Å; S63-I67 PolarHBondContact O-N 2.89Å; S63-I67 VanDerWaalsContact O-N 3.09Å
64F91.9Very high94.8Very high81 Ų8143.7 Ų43.736%0.35523%0.227SC..Hα-helixtrans-60.8-30.2175.6-59.6-55.3000112.4K62 I67 M68 N108 P110 L113K62-F64 PolarHBondContact O-N 3.25Å; F64-I67 HydrophobicContact CD1-CD1 4.29Å; F64-I67 PolarHBondContact O-N 3.5Å; F64-M68 WeakPolarHBondContact O-CB 3.33Å; F64-M68 VanDerWaalsContact O-CG 3.28Å; F64-M68 WeakPolarHBondContact O-CG 3.47Å; F64-M68 PolarHBondContact O-N 3Å; F64-N108 WeakPolarHBondContact CZ-O 3.49Å; F64-P110 HydrophobicContact CB-CG 4.22Å; F64-P110 HydrophobicContact CD1-CG 4.27Å; F64-P110 HydrophobicContact CD2-CG 4.06Å; F64-P110 HydrophobicContact CE2-CG 4.49Å; F64-P110 HydrophobicContact CG-CG 3.93Å; F64-L113 HydrophobicContact CB-CD1 4.2Å; F64-L113 HydrophobicContact CD1-CD1 3.75Å; F64-L113 HydrophobicContact CG-CD1 4.39Å
65M93Very high94.8Very high84 Ų8445.1 Ų45.141%0.41423%0.234SC..Hα-helixtrans-64.8-45.9175-167.8-179.883.800111.6A23 L25 S63 I67 M68 L69A23-M65 VanDerWaalsContact O-CE 3.26Å; A23-M65 WeakPolarHBondContact O-CE 3.41Å; L25-M65 WeakPolarHBondContact O-CE 3.42Å; S63-M65 PolarHBondContact O-N 3.05Å; M65-I67 VanDerWaalsContact C-N 3.29Å; M65-I67 PolarHBondContact O-N 3.33Å; M65-M68 PolarHBondContact O-N 3.47Å; M65-L69 WeakPolarHBondContact O-CG 3.48Å; M65-L69 PolarHBondContact O-N 3.11Å
66E95.8Very high94.8Very high24 Ų2440.5 Ų40.511%0.11222%0.215CC..Hα-helixtrans-64.9-33.9175.8-69-162.9156.300112.5T21 A23 R57 N61 S63 A70T21-E66 VanDerWaalsContact O-CG 3.28Å; T21-E66 WeakPolarHBondContact O-CG 3.44Å; A23-E66 HydrophobicContact CB-CG 3.96Å; A23-E66 WeakPolarHBondContact CB-OE1 3.38Å; A23-E66 PolarHBondContact N-OE1 3.24Å; A23-E66 VanDerWaalsContact N-OE1 3.1Å; R57-E66 IonicContact CZ-OE1 2.84Å; R57-E66 IonicContact CZ-OE2 2.75Å; R57-E66 IonicContact NE-OE2 2.7Å; R57-E66 IonicContact NH1-OE1 2.63Å; R57-E66 PolarHBondContact NH1-OE1 2.91Å; R57-E66 IonicContact NH1-OE2 2.85Å; R57-E66 PolarHBondContact NH1-OE2 2.67Å; N61-E66 PolarHBondContact ND2-OE2 3.22Å; S63-E66 PolarHBondContact O-N 3.42Å; S63-E66 PolarHBondContact OG-N 2.86Å; E66-A70 WeakPolarHBondContact O-CB 3.27Å; E66-A70 PolarHBondContact O-N 3.43Å
67I96.3Very high94.9Very high8 Ų834.8 Ų34.84%0.04119%0.19CC..Hα-helixtrans-67.2-44.4173.9-62.3166.3000110.4I58 N61 S63 F64 M65 A70 L71 L113I58-I67 HydrophobicContact CG1-CG2 4.39Å; I58-I67 HydrophobicContact CG2-CG2 4.19Å; N61-I67 HydrophobicContact CB-CD1 4.19Å; N61-I67 HydrophobicContact CB-CG1 4.04Å; S63-I67 WeakPolarHBondContact O-CG1 3.48Å; S63-I67 PolarHBondContact O-N 2.89Å; S63-I67 VanDerWaalsContact O-N 3.09Å; F64-I67 HydrophobicContact CD1-CD1 4.29Å; F64-I67 PolarHBondContact O-N 3.5Å; M65-I67 VanDerWaalsContact C-N 3.29Å; M65-I67 PolarHBondContact O-N 3.33Å; I67-A70 WeakPolarHBondContact O-CB 3.25Å; I67-A70 PolarHBondContact O-N 2.92Å; I67-L71 HydrophobicContact CG2-CD1 4.1Å; I67-L71 HydrophobicContact CG2-CG 4.32Å; I67-L71 WeakPolarHBondContact O-CG 3.34Å; I67-L71 PolarHBondContact O-N 3.38Å; I67-L113 HydrophobicContact CB-CD1 4.02Å; I67-L113 HydrophobicContact CD1-CD1 4.41Å; I67-L113 HydrophobicContact CG2-CD1 3.72Å; I67-L113 HydrophobicContact CG2-CG 4.43Å
68M95.9Very high95Very high55 Ų5534.1 Ų34.127%0.27119%0.189SC..Hα-helixtrans-61-45.4177-74.3-66-68.100111.9F64 M65 A70 L71 T72 L113 R116F64-M68 WeakPolarHBondContact O-CB 3.33Å; F64-M68 VanDerWaalsContact O-CG 3.28Å; F64-M68 WeakPolarHBondContact O-CG 3.47Å; F64-M68 PolarHBondContact O-N 3Å; M65-M68 PolarHBondContact O-N 3.47Å; M68-A70 VanDerWaalsContact C-N 3.31Å; M68-A70 PolarHBondContact O-N 3.38Å; M68-L71 PolarHBondContact O-N 2.94Å; M68-L71 HydrophobicContact SD-CD1 4.39Å; M68-T72 PolarHBondContact O-N 3.04Å; M68-T72 PolarHBondContact O-OG1 3.21Å; M68-L113 HydrophobicContact SD-CB 4.18Å; M68-L113 HydrophobicContact SD-CG 4.32Å; M68-R116 HydrophobicContact CE-CB 4.19Å; M68-R116 HydrophobicContact CE-CG 3.93Å; M68-R116 HydrophobicContact SD-CB 4.15Å; M68-R116 HydrophobicContact SD-CG 4.04Å
69L97.4Very high95.1Very high11 Ų1138.8 Ų38.86%0.05821%0.209CC..Hα-helixtrans-58.5-43.6173.1-68.9172000111.3T21 L25 E28 M65 L71 T72 V73T21-L69 HydrophobicContact CG2-CB 4.16Å; L25-L69 HydrophobicContact CB-CD1 3.94Å; L25-L69 HydrophobicContact CD1-CD1 4.35Å; E28-L69 HydrophobicContact CG-CD2 4.19Å; M65-L69 WeakPolarHBondContact O-CG 3.48Å; M65-L69 PolarHBondContact O-N 3.11Å; L69-L71 VanDerWaalsContact C-N 3.35Å; L69-L71 PolarHBondContact O-N 3.28Å; L69-T72 PolarHBondContact O-N 3.41Å; L69-V73 VanDerWaalsContact O-CG2 3.31Å; L69-V73 WeakPolarHBondContact O-CG2 3.27Å; L69-V73 PolarHBondContact O-N 3.3Å
70A98.1Very high95.3Very high0 Ų040.8 Ų40.80%022%0.218CC..Hα-helixtrans-65.8-34.2177.300000113.5T21 R57 I58 E66 I67 M68 L74T21-A70 HydrophobicContact CG2-CB 3.88Å; R57-A70 HydrophobicContact CB-CB 4.17Å; R57-A70 HydrophobicContact CG-CB 3.69Å; I58-A70 HydrophobicContact CD1-CB 4.19Å; I58-A70 HydrophobicContact CG1-CB 3.73Å; E66-A70 WeakPolarHBondContact O-CB 3.27Å; E66-A70 PolarHBondContact O-N 3.43Å; I67-A70 WeakPolarHBondContact O-CB 3.25Å; I67-A70 PolarHBondContact O-N 2.92Å; M68-A70 VanDerWaalsContact C-N 3.31Å; M68-A70 PolarHBondContact O-N 3.38Å; A70-L74 WeakPolarHBondContact O-CB 3.38Å; A70-L74 PolarHBondContact O-N 3.17Å
71L97.9Very high95.9Very high0 Ų037.4 Ų37.40%018%0.183CC..Hα-helixtrans-68.3-37.7173-70.3171.9000111.5I58 I67 M68 L69 L74 E75 L99 R116 V117 L120I58-L71 HydrophobicContact CD1-CD2 3.89Å; I58-L71 HydrophobicContact CD1-CG 4.37Å; I67-L71 HydrophobicContact CG2-CD1 4.1Å; I67-L71 HydrophobicContact CG2-CG 4.32Å; I67-L71 WeakPolarHBondContact O-CG 3.34Å; I67-L71 PolarHBondContact O-N 3.38Å; M68-L71 PolarHBondContact O-N 2.94Å; M68-L71 HydrophobicContact SD-CD1 4.39Å; L69-L71 VanDerWaalsContact C-N 3.35Å; L69-L71 PolarHBondContact O-N 3.28Å; L71-L74 HydrophobicContact CD2-CD2 4.47Å; L71-L74 PolarHBondContact O-N 2.98Å; L71-E75 PolarHBondContact O-N 3.48Å; L71-L99 HydrophobicContact CD2-CD2 3.6Å; L71-R116 HydrophobicContact CD1-CG 4.24Å; L71-V117 HydrophobicContact CD1-CG2 3.65Å; L71-V117 HydrophobicContact CD2-CG2 4.17Å; L71-L120 HydrophobicContact CB-CD1 4.12Å; L71-L120 HydrophobicContact CD2-CD1 4.02Å
72T97.8Very high96.1Very high7 Ų737 Ų374%0.04319%0.189CC..Hα-helixtrans-71.4-39.5175.1-58.60000112.4E28 W30 M68 L69 L74 E75 A76 R116E28-T72 HydrophobicContact CG-CG2 3.83Å; W30-T72 HydrophobicContact CH2-CG2 4.01Å; W30-T72 HydrophobicContact CZ2-CG2 4.14Å; M68-T72 PolarHBondContact O-N 3.04Å; M68-T72 PolarHBondContact O-OG1 3.21Å; L69-T72 PolarHBondContact O-N 3.41Å; T72-L74 VanDerWaalsContact C-N 3.3Å; T72-L74 PolarHBondContact O-N 3Å; T72-E75 PolarHBondContact O-N 2.91Å; T72-A76 WeakPolarHBondContact O-CB 3.43Å; T72-A76 PolarHBondContact O-N 2.77Å; T72-R116 PolarHBondContact OG1-NH2 3.18Å
73V98.4Very high96.5Very high2 Ų232.5 Ų32.51%0.01217%0.171CC..Hα-helixtrans-56.8-47169.31720000110.3I17 A20 T21 N33 I36 I54 L69 A76 C77I17-V73 HydrophobicContact CG1-CG1 4.33Å; A20-V73 HydrophobicContact CB-CG2 4.14Å; T21-V73 HydrophobicContact CG2-CG2 3.97Å; N33-V73 VanDerWaalsContact OD1-CG2 3.27Å; N33-V73 WeakPolarHBondContact OD1-CG2 3.43Å; I36-V73 HydrophobicContact CD1-CG1 4.05Å; I36-V73 HydrophobicContact CG2-CG1 4.24Å; I54-V73 HydrophobicContact CD1-CG1 4.37Å; L69-V73 VanDerWaalsContact O-CG2 3.31Å; L69-V73 WeakPolarHBondContact O-CG2 3.27Å; L69-V73 PolarHBondContact O-N 3.3Å; V73-A76 PolarHBondContact O-N 3.48Å; V73-C77 PolarHBondContact O-N 3.16Å; V73-C77 PolarHBondContact O-SG 3.28Å
74L98.6Very high96.7Very high0 Ų036 Ų360%018%0.178CC..Hα-helixtrans-63.7-41.3179.917559.8000112.4I54 I58 A70 L71 T72 C77 V78 F85 V89 F94 L99 W124I54-L74 HydrophobicContact CD1-CB 4.26Å; I54-L74 HydrophobicContact CD1-CD1 4.13Å; I54-L74 HydrophobicContact CG2-CB 4.12Å; I54-L74 HydrophobicContact CG2-CD1 4.34Å; I54-L74 HydrophobicContact CG2-CD2 4.06Å; I54-L74 HydrophobicContact CG2-CG 4.4Å; I58-L74 HydrophobicContact CD1-CD2 4.37Å; A70-L74 WeakPolarHBondContact O-CB 3.38Å; A70-L74 PolarHBondContact O-N 3.17Å; L71-L74 HydrophobicContact CD2-CD2 4.47Å; L71-L74 PolarHBondContact O-N 2.98Å; T72-L74 VanDerWaalsContact C-N 3.3Å; T72-L74 PolarHBondContact O-N 3Å; L74-C77 PolarHBondContact O-N 3.09Å; L74-V78 WeakPolarHBondContact O-CG2 3.36Å; L74-V78 PolarHBondContact O-N 3.15Å; L74-F85 HydrophobicContact CD1-CE1 4.41Å; L74-F85 HydrophobicContact CD1-CZ 4.11Å; L74-V89 HydrophobicContact CD1-CB 4.46Å; L74-V89 HydrophobicContact CD1-CG1 3.91Å; L74-F94 HydrophobicContact CD1-CE1 4.23Å; L74-F94 HydrophobicContact CD1-CZ 4.02Å; L74-F94 HydrophobicContact CD2-CE1 4.02Å; L74-F94 HydrophobicContact CD2-CZ 4.01Å; L74-L99 HydrophobicContact CD2-CD2 3.94Å; L74-W124 HydrophobicContact CD1-CH2 3.91Å; L74-W124 HydrophobicContact CD2-CH2 3.84Å; L74-W124 HydrophobicContact CG-CH2 3.64Å; L74-W124 HydrophobicContact CG-CZ2 4.07Å
75E97.7Very high97Very high30 Ų3032.2 Ų32.214%0.1416%0.162CC..Hα-helixtrans-61.7-47.2172.6-170.6-169.417100111.6L71 T72 C77 V78 K79 R116 L120L71-E75 PolarHBondContact O-N 3.48Å; T72-E75 PolarHBondContact O-N 2.91Å; E75-C77 VanDerWaalsContact C-N 3.29Å; E75-C77 PolarHBondContact O-N 2.96Å; E75-V78 PolarHBondContact O-N 2.69Å; E75-V78 VanDerWaalsContact O-N 3.13Å; E75-K79 HydrophobicContact CG-CD 4.17Å; E75-K79 PolarHBondContact O-N 3.41Å; E75-K79 VanDerWaalsContact OE1-CE 3.3Å; E75-K79 WeakPolarHBondContact OE1-CE 3.41Å; E75-K79 IonicContact OE1-NZ 3.51Å; E75-K79 PolarHBondContact OE1-NZ 2.99Å; E75-R116 IonicContact OE2-CZ 3.97Å; E75-R116 IonicContact OE2-NH1 2.69Å; E75-R116 PolarHBondContact OE2-NH1 3.41Å; E75-R116 IonicContact OE2-NH2 2.74Å; E75-R116 PolarHBondContact OE2-NH2 2.93Å; E75-L120 HydrophobicContact CB-CD2 3.83Å; E75-L120 HydrophobicContact CG-CD2 3.72Å
76A97.9Very high97.3Very high4 Ų429.5 Ų29.53%0.03315%0.148CC..Hα-helixtrans-58.7-42.5177.400000111.3W30 M34 T72 V73 K79 N80W30-A76 HydrophobicContact CZ3-CB 4.17Å; M34-A76 HydrophobicContact CE-CB 4.21Å; T72-A76 WeakPolarHBondContact O-CB 3.43Å; T72-A76 PolarHBondContact O-N 2.77Å; V73-A76 PolarHBondContact O-N 3.48Å; A76-K79 PolarHBondContact O-N 3.21Å; A76-N80 WeakPolarHBondContact O-CB 3.28Å; A76-N80 PolarHBondContact O-N 3.49Å; A76-N80 PolarHBondContact O-ND2 2.99Å
77C98.3Very high97.3Very high0 Ų031 Ų310%016%0.158CC..Hα-helixtrans-63.4-41.7175.1-62.60000111.9I40 V73 L74 E75 K79 C81 F85I40-C77 HydrophobicContact CD1-CB 4.13Å; I40-C77 WeakPolarHBondContact CD1-SG 3.45Å; V73-C77 PolarHBondContact O-N 3.16Å; V73-C77 PolarHBondContact O-SG 3.28Å; L74-C77 PolarHBondContact O-N 3.09Å; E75-C77 VanDerWaalsContact C-N 3.29Å; E75-C77 PolarHBondContact O-N 2.96Å; C77-K79 VanDerWaalsContact C-N 3.34Å; C77-K79 PolarHBondContact O-N 3.27Å; C77-C81 WeakPolarHBondContact O-CA 3.42Å; C77-C81 WeakPolarHBondContact O-CB 3.42Å; C77-C81 PolarHBondContact O-N 3.47Å; C77-C81 PolarHBondContact O-SG 2.79Å; C77-F85 HydrophobicContact CB-CD1 4.11Å; C77-F85 HydrophobicContact CB-CE1 3.34Å; C77-F85 HydrophobicContact CB-CE2 4.27Å; C77-F85 HydrophobicContact CB-CZ 3.43Å; C77-F85 VanDerWaalsContact CB-CZ 3.43Å
78V97.9Very high97.4Very high13 Ų1333.2 Ų33.28%0.07917%0.17CC..Hα-helixtrans-64.5-39.1176.1169.70000112L74 E75 F85 H86 V89 W124 F128L74-V78 WeakPolarHBondContact O-CG2 3.36Å; L74-V78 PolarHBondContact O-N 3.15Å; E75-V78 PolarHBondContact O-N 2.69Å; E75-V78 VanDerWaalsContact O-N 3.13Å; V78-F85 HydrophobicContact CG2-CD1 4.42Å; V78-F85 HydrophobicContact CG2-CE1 3.92Å; V78-H86 PolarHBondContact O-NE2 2.75Å; V78-V89 HydrophobicContact CG2-CG2 3.73Å; V78-W124 HydrophobicContact CB-CZ2 4.1Å; V78-W124 HydrophobicContact CG1-CD2 4.42Å; V78-W124 HydrophobicContact CG1-CG 4.5Å; V78-W124 HydrophobicContact CG1-CZ2 4.49Å; V78-W124 HydrophobicContact CG2-CD2 4.38Å; V78-W124 HydrophobicContact CG2-CH2 3.78Å; V78-W124 HydrophobicContact CG2-CZ2 3.49Å; V78-W124 VanDerWaalsContact CG2-CZ2 3.49Å; V78-W124 HydrophobicContact CG2-CZ3 4.34Å; V78-F128 HydrophobicContact CG1-CE2 4.32Å; V78-F128 HydrophobicContact CG1-CZ 3.94Å
79K96.6Very high97.4Very high102 Ų10230.6 Ų30.644%0.44316%0.157SC..Hα-helixtrans-72.9-30.9179.6-74.5179.7166.7175.60113.9E75 A76 C77 A158E75-K79 HydrophobicContact CG-CD 4.17Å; E75-K79 PolarHBondContact O-N 3.41Å; E75-K79 VanDerWaalsContact OE1-CE 3.3Å; E75-K79 WeakPolarHBondContact OE1-CE 3.41Å; E75-K79 IonicContact OE1-NZ 3.51Å; E75-K79 PolarHBondContact OE1-NZ 2.99Å; A76-K79 PolarHBondContact O-N 3.21Å; C77-K79 VanDerWaalsContact C-N 3.34Å; C77-K79 PolarHBondContact O-N 3.27Å; K79-A158 PolarHBondContact NZ-O 2.97Å
80N97.4Very high97.4Very high81 Ų8130.1 Ų30.143%0.43316%0.155SC..Hα-helixtrans-115.1-9.3-171.4-62.3-82.9000115.2C37 N41 A76C37-N80 HydrophobicContact CB-CB 4.05Å; N41-N80 PolarHBondContact ND2-O 3.43Å; A76-N80 WeakPolarHBondContact O-CB 3.28Å; A76-N80 PolarHBondContact O-N 3.49Å; A76-N80 PolarHBondContact O-ND2 2.99Å
81C97.4Very high97.4Very high8 Ų832.1 Ų32.15%0.05417%0.169CC..SBendtrans-100.9155.1177.4-55.60000112.3I40 N41 C77 F85 H86I40-C81 HydrophobicContact CG2-CB 3.88Å; I40-C81 WeakPolarHBondContact CG2-SG 3.48Å; N41-C81 VanDerWaalsContact OD1-CA 3.31Å; N41-C81 WeakPolarHBondContact OD1-CA 3.22Å; C77-C81 WeakPolarHBondContact O-CA 3.42Å; C77-C81 WeakPolarHBondContact O-CB 3.42Å; C77-C81 PolarHBondContact O-N 3.47Å; C77-C81 PolarHBondContact O-SG 2.79Å; C81-F85 HydrophobicContact CB-CB 3.78Å; C81-F85 HydrophobicContact CB-CD1 4.11Å; C81-F85 HydrophobicContact CB-CG 4.07Å; C81-H86 PolarHBondContact O-CE1 3.21Å; C81-H86 PolarHBondContact O-NE2 3.45Å
82G94.1Very high97.3Very high37 Ų3735.2 Ų35.238%0.38118%0.183SC..  trans-81.2-178.7179.700000115.4N41 R84 F85 H86N41-G82 PolarHBondContact OD1-N 3.27Å; G82-R84 PolarHBondContact O-N 3.43Å; G82-F85 PolarHBondContact O-N 3.47Å; G82-H86 PolarHBondContact O-N 3.49Å
83H96.3Very high97.2Very high97 Ų9741.3 Ų41.345%0.44922%0.216SC..Hα-helixtrans-50.3-33-175.9-168.362.1000114.9F85 H86 V87 S133H83-F85 PolarHBondContact O-N 3.31Å; H83-H86 PolarHBondContact O-N 3.44Å; H83-H86 VanDerWaalsContact O-N 3.15Å; H83-V87 WeakPolarHBondContact NE2-CG1 3.37Å; H83-V87 PolarHBondContact O-N 3.02Å; H83-S133 PolarHBondContact CE1-OG 3.32Å; H83-S133 VanDerWaalsContact CE1-OG 3.3Å
84R96.7Very high97.1Very high113 Ų11341.6 Ų41.643%0.42622%0.217SC..Hα-helixtrans-55.8-30.9175.3-75174.257-128.6-11.4113.5T43 D44 P47 G82T43-R84 PolarHBondContact O-NH1 3.4Å; T43-R84 PolarHBondContact O-NH2 2.99Å; D44-R84 VanDerWaalsContact C-NH2 3.32Å; D44-R84 VanDerWaalsContact CA-NH2 3.26Å; D44-R84 PolarHBondContact O-NH2 3.05Å; P47-R84 HydrophobicContact CG-CB 4.3Å; G82-R84 PolarHBondContact O-N 3.43Å
85F98.1Very high97.1Very high1 Ų141.6 Ų41.60%0.00422%0.217CC..Hα-helixtrans-85.9-45173.4-175.9-105.7000111.2I40 P47 A50 V51 I54 L74 C77 V78 C81 G82 H83 V87 L88 V89I40-F85 HydrophobicContact CD1-CD2 4.39Å; I40-F85 HydrophobicContact CD1-CE2 4.16Å; I40-F85 HydrophobicContact CG2-CB 4.09Å; I40-F85 HydrophobicContact CG2-CD2 3.91Å; I40-F85 HydrophobicContact CG2-CG 4.18Å; P47-F85 HydrophobicContact CB-CB 4.34Å; P47-F85 HydrophobicContact CB-CD2 4.15Å; A50-F85 HydrophobicContact CB-CE2 4.16Å; V51-F85 HydrophobicContact CG2-CD2 4.31Å; V51-F85 HydrophobicContact CG2-CE2 3.8Å; V51-F85 HydrophobicContact CG2-CZ 4.48Å; I54-F85 HydrophobicContact CD1-CZ 4.5Å; L74-F85 HydrophobicContact CD1-CE1 4.41Å; L74-F85 HydrophobicContact CD1-CZ 4.11Å; C77-F85 HydrophobicContact CB-CD1 4.11Å; C77-F85 HydrophobicContact CB-CE1 3.34Å; C77-F85 HydrophobicContact CB-CE2 4.27Å; C77-F85 HydrophobicContact CB-CZ 3.43Å; C77-F85 VanDerWaalsContact CB-CZ 3.43Å; V78-F85 HydrophobicContact CG2-CD1 4.42Å; V78-F85 HydrophobicContact CG2-CE1 3.92Å; C81-F85 HydrophobicContact CB-CB 3.78Å; C81-F85 HydrophobicContact CB-CD1 4.11Å; C81-F85 HydrophobicContact CB-CG 4.07Å; G82-F85 PolarHBondContact O-N 3.47Å; H83-F85 PolarHBondContact O-N 3.31Å; F85-V87 VanDerWaalsContact C-N 3.33Å; F85-V87 PolarHBondContact O-N 2.74Å; F85-L88 WeakPolarHBondContact O-CB 3.47Å; F85-L88 PolarHBondContact O-N 2.69Å; F85-V89 HydrophobicContact CD1-CG1 4.36Å; F85-V89 HydrophobicContact CD1-CG2 4.02Å; F85-V89 HydrophobicContact CE1-CB 4.45Å; F85-V89 HydrophobicContact CE1-CG1 3.74Å; F85-V89 HydrophobicContact CE1-CG2 3.88Å; F85-V89 HydrophobicContact CE2-CG1 4.03Å; F85-V89 HydrophobicContact CZ-CG1 3.57Å; F85-V89 PolarHBondContact O-N 3.16Å
86H97.8Very high97Very high27 Ų2742.6 Ų42.613%0.12522%0.222CC..Hα-helixtrans-54.2-44.1-178.3-57.5147.2000113.2V78 C81 G82 H83 L88 V89 A90 F128 L134V78-H86 PolarHBondContact O-NE2 2.75Å; C81-H86 PolarHBondContact O-CE1 3.21Å; C81-H86 PolarHBondContact O-NE2 3.45Å; G82-H86 PolarHBondContact O-N 3.49Å; H83-H86 PolarHBondContact O-N 3.44Å; H83-H86 VanDerWaalsContact O-N 3.15Å; H86-L88 PolarHBondContact O-N 2.79Å; H86-L88 VanDerWaalsContact O-N 3.13Å; H86-V89 PolarHBondContact O-N 3.42Å; H86-A90 WeakPolarHBondContact O-CB 3.02Å; H86-A90 PolarHBondContact O-N 2.94Å; H86-F128 HydrophobicContact CB-CZ 4.27Å; H86-F128 AromaticContact CD2-CZ 3.82Å; H86-F128 AromaticContact CG-CZ 3.95Å; H86-L134 HydrophobicContact CB-CD1 3.97Å; H86-L134 HydrophobicContact CB-CD2 3.75Å
87V97.2Very high96.8Very high55 Ų5543.5 Ų43.533%0.33323%0.231SC..Hα-helixtrans-60.7-23.6179.1-64.80000113.9H83 F85 L134H83-V87 WeakPolarHBondContact NE2-CG1 3.37Å; H83-V87 PolarHBondContact O-N 3.02Å; F85-V87 VanDerWaalsContact C-N 3.33Å; F85-V87 PolarHBondContact O-N 2.74Å; V87-L134 HydrophobicContact CB-CD2 4.31Å; V87-L134 HydrophobicContact CG1-CD2 3.76Å
88L97.4Very high96.7Very high54 Ų5443.5 Ų43.528%0.28323%0.231SC..Hα-helixtrans-84.5-44.9177.4-56.3178.1000111.3P47 K48 V51 F85 H86 S91 F94P47-L88 HydrophobicContact CB-CD1 3.85Å; K48-L88 HydrophobicContact CG-CD1 4.07Å; V51-L88 HydrophobicContact CG2-CB 3.87Å; V51-L88 HydrophobicContact CG2-CD1 4.18Å; F85-L88 WeakPolarHBondContact O-CB 3.47Å; F85-L88 PolarHBondContact O-N 2.69Å; H86-L88 PolarHBondContact O-N 2.79Å; H86-L88 VanDerWaalsContact O-N 3.13Å; L88-S91 WeakPolarHBondContact O-CB 3.4Å; L88-S91 PolarHBondContact O-OG 2.96Å; L88-F94 WeakPolarHBondContact O-CB 3.45Å
89V97.4Very high96.6Very high0 Ų042.9 Ų42.90%023%0.227CC..Hα-helixtrans-85.6-24.8-174.9-62.70000114.5V51 L74 V78 F85 H86 S91 F94 V95 W124V51-V89 HydrophobicContact CG2-CG1 3.65Å; L74-V89 HydrophobicContact CD1-CB 4.46Å; L74-V89 HydrophobicContact CD1-CG1 3.91Å; V78-V89 HydrophobicContact CG2-CG2 3.73Å; F85-V89 HydrophobicContact CD1-CG1 4.36Å; F85-V89 HydrophobicContact CD1-CG2 4.02Å; F85-V89 HydrophobicContact CE1-CB 4.45Å; F85-V89 HydrophobicContact CE1-CG1 3.74Å; F85-V89 HydrophobicContact CE1-CG2 3.88Å; F85-V89 HydrophobicContact CE2-CG1 4.03Å; F85-V89 HydrophobicContact CZ-CG1 3.57Å; F85-V89 PolarHBondContact O-N 3.16Å; H86-V89 PolarHBondContact O-N 3.42Å; V89-S91 VanDerWaalsContact C-N 3.25Å; V89-F94 HydrophobicContact CB-CD1 4.02Å; V89-F94 HydrophobicContact CB-CE1 3.95Å; V89-F94 HydrophobicContact CB-CZ 4.47Å; V89-F94 HydrophobicContact CG1-CD1 4.33Å; V89-F94 HydrophobicContact CG1-CE1 3.99Å; V89-F94 HydrophobicContact CG1-CE2 4.35Å; V89-F94 HydrophobicContact CG1-CZ 4Å; V89-F94 WeakPolarHBondContact O-CD1 3.43Å; V89-V95 WeakPolarHBondContact O-CG2 3.2Å; V89-W124 HydrophobicContact CB-CZ3 4.34Å
90A96.9Very high96.6Very high2 Ų238.8 Ų38.82%0.01721%0.211CC..THydrogen-bonded Turntrans-84.21.3171.200000112.7H86 F128 L134 G136 V137H86-A90 WeakPolarHBondContact O-CB 3.02Å; H86-A90 PolarHBondContact O-N 2.94Å; A90-F128 HydrophobicContact CB-CD2 4.02Å; A90-F128 HydrophobicContact CB-CE2 4.24Å; A90-L134 HydrophobicContact CB-CB 4Å; A90-L134 HydrophobicContact CB-CD2 4.07Å; A90-G136 CarbonylContact O-C 3.52Å; A90-G136 VanDerWaalsContact O-CA 3.25Å; A90-G136 WeakPolarHBondContact O-CA 3.39Å; A90-G136 PolarHBondContact O-N 2.75Å; A90-V137 HydrophobicContact CB-CG1 4.19Å; A90-V137 PolarHBondContact O-N 3.32Å
91S96.9Very high96.4Very high41 Ų4141.2 Ų41.229%0.28721%0.214SC..SBendtrans-68.5142.3174.371.70000111.1L88 V89 D93 F94 V95L88-S91 WeakPolarHBondContact O-CB 3.4Å; L88-S91 PolarHBondContact O-OG 2.96Å; V89-S91 VanDerWaalsContact C-N 3.25Å; S91-D93 VanDerWaalsContact C-N 3.28Å; S91-D93 PolarHBondContact O-N 3.01Å; S91-F94 PolarHBondContact O-N 3.4Å; S91-F94 VanDerWaalsContact O-N 3.12Å; S91-F94 WeakPolarHBondContact OG-CB 3.43Å; S91-F94 PolarHBondContact OG-N 3.48Å; S91-V95 WeakPolarHBondContact O-CG2 3.33Å; S91-V95 PolarHBondContact O-N 3.39Å
92Q95.8Very high96.1Very high66 Ų6641.3 Ų41.331%0.30822%0.215SC..Hα-helixtrans-57-42.6179.6179.4171.81.900111.8F94 V95 E96 V140 R406Q92-F94 VanDerWaalsContact C-N 3.29Å; Q92-F94 PolarHBondContact O-N 3.23Å; Q92-V95 PolarHBondContact O-N 2.91Å; Q92-E96 HydrophobicContact CG-CG 4.14Å; Q92-E96 PolarHBondContact NE2-OE1 3.34Å; Q92-E96 WeakPolarHBondContact O-CB 3.47Å; Q92-E96 WeakPolarHBondContact O-CG 3.36Å; Q92-E96 PolarHBondContact O-N 2.9Å; Q92-V140 HydrophobicContact CB-CG2 4.45Å; Q92-V140 HydrophobicContact CG-CG2 3.82Å; Q92-R406 VanDerWaalsContact NE2-NH2 3.15Å
93D95.8Very high96Very high135 Ų13540.3 Ų40.372%0.72220%0.201SC*.Hα-helixtrans-60.6-34.7178.2-70.9-17.1000113.3S91 G97S91-D93 VanDerWaalsContact C-N 3.28Å; S91-D93 PolarHBondContact O-N 3.01Å; D93-G97 VanDerWaalsContact O-CA 3.3Å; D93-G97 WeakPolarHBondContact O-CA 3.38Å; D93-G97 PolarHBondContact O-N 3.18Å
94F97.5Very high95.7Very high8 Ų836.6 Ų36.64%0.03518%0.184CC..Hα-helixtrans-74.6-49.4175.3-177.3-89000111V51 I54 L74 L88 V89 S91 Q92 G97 V98V51-F94 HydrophobicContact CG1-CD2 3.8Å; V51-F94 HydrophobicContact CG1-CE2 3.85Å; I54-F94 HydrophobicContact CG2-CZ 4.47Å; L74-F94 HydrophobicContact CD1-CE1 4.23Å; L74-F94 HydrophobicContact CD1-CZ 4.02Å; L74-F94 HydrophobicContact CD2-CE1 4.02Å; L74-F94 HydrophobicContact CD2-CZ 4.01Å; L88-F94 WeakPolarHBondContact O-CB 3.45Å; V89-F94 HydrophobicContact CB-CD1 4.02Å; V89-F94 HydrophobicContact CB-CE1 3.95Å; V89-F94 HydrophobicContact CB-CZ 4.47Å; V89-F94 HydrophobicContact CG1-CD1 4.33Å; V89-F94 HydrophobicContact CG1-CE1 3.99Å; V89-F94 HydrophobicContact CG1-CE2 4.35Å; V89-F94 HydrophobicContact CG1-CZ 4Å; V89-F94 WeakPolarHBondContact O-CD1 3.43Å; S91-F94 PolarHBondContact O-N 3.4Å; S91-F94 VanDerWaalsContact O-N 3.12Å; S91-F94 WeakPolarHBondContact OG-CB 3.43Å; S91-F94 PolarHBondContact OG-N 3.48Å; Q92-F94 VanDerWaalsContact C-N 3.29Å; Q92-F94 PolarHBondContact O-N 3.23Å; F94-G97 PolarHBondContact O-N 3.26Å; F94-V98 HydrophobicContact CD2-CG2 3.78Å; F94-V98 HydrophobicContact CE1-CB 4.44Å; F94-V98 HydrophobicContact CE2-CB 4.32Å; F94-V98 HydrophobicContact CE2-CG1 4.46Å; F94-V98 HydrophobicContact CE2-CG2 3.8Å; F94-V98 HydrophobicContact CG-CG2 4.24Å; F94-V98 HydrophobicContact CZ-CB 4.29Å; F94-V98 HydrophobicContact CZ-CG1 4.23Å; F94-V98 HydrophobicContact CZ-CG2 4.27Å; F94-V98 WeakPolarHBondContact O-CA 3.42Å; F94-V98 WeakPolarHBondContact O-CB 3.05Å; F94-V98 WeakPolarHBondContact O-CG2 3.2Å; F94-V98 PolarHBondContact O-N 3.33Å
95V97.2Very high95.1Very high0 Ų034.9 Ų34.90%019%0.188CC..Iπ-helixtrans-63-47.8-177.5-179.30000110.8V89 S91 Q92 L99 V100 I121 V137 V140V89-V95 WeakPolarHBondContact O-CG2 3.2Å; S91-V95 WeakPolarHBondContact O-CG2 3.33Å; S91-V95 PolarHBondContact O-N 3.39Å; Q92-V95 PolarHBondContact O-N 2.91Å; V95-L99 HydrophobicContact CG1-CD1 4.37Å; V95-L99 WeakPolarHBondContact O-CA 3.28Å; V95-L99 WeakPolarHBondContact O-CB 3.42Å; V95-L99 PolarHBondContact O-N 3.5Å; V95-V100 PolarHBondContact O-N 3.41Å; V95-I121 HydrophobicContact CG1-CD1 4.28Å; V95-I121 HydrophobicContact CG1-CG1 4.13Å; V95-V137 HydrophobicContact CG1-CG2 4.31Å; V95-V137 HydrophobicContact CG2-CB 3.93Å; V95-V137 HydrophobicContact CG2-CG2 3.97Å; V95-V140 HydrophobicContact CB-CG2 4.26Å; V95-V140 HydrophobicContact CG1-CB 3.95Å; V95-V140 HydrophobicContact CG1-CG1 3.75Å; V95-V140 HydrophobicContact CG1-CG2 4.17Å
96E95.5Very high94.5Very high51 Ų5141.8 Ų41.824%0.23822%0.218CC..Iπ-helixtrans-67.6-48.8175.4-66.1-170.3-173.900111.7Q92 V98 R101 V140 R406Q92-E96 HydrophobicContact CG-CG 4.14Å; Q92-E96 PolarHBondContact NE2-OE1 3.34Å; Q92-E96 WeakPolarHBondContact O-CB 3.47Å; Q92-E96 WeakPolarHBondContact O-CG 3.36Å; Q92-E96 PolarHBondContact O-N 2.9Å; E96-V98 VanDerWaalsContact C-N 3.33Å; E96-V98 PolarHBondContact O-N 3.04Å; E96-R101 WeakPolarHBondContact O-CB 3.44Å; E96-R101 PolarHBondContact O-N 3.08Å; E96-V140 HydrophobicContact CG-CG1 4.25Å; E96-V140 HydrophobicContact CG-CG2 3.66Å; E96-R406 IonicContact OE1-CZ 3.69Å; E96-R406 IonicContact OE1-NE 3.75Å; E96-R406 IonicContact OE1-NH1 2.67Å; E96-R406 PolarHBondContact OE1-NH1 3.27Å; E96-R406 IonicContact OE1-NH2 3.21Å; E96-R406 WeakPolarHBondContact OE2-CD 3.06Å; E96-R406 IonicContact OE2-NE 2.64Å; E96-R406 IonicContact OE2-NH1 2.77Å
97G94.8Very high94Very high22 Ų2244.1 Ų44.123%0.22723%0.231CC..Iπ-helixtrans-73.8-17.6-171.700000115.3V59 D93 F94 R101V59-G97 WeakPolarHBondContact CG2-O 3.38Å; D93-G97 VanDerWaalsContact O-CA 3.3Å; D93-G97 WeakPolarHBondContact O-CA 3.38Å; D93-G97 PolarHBondContact O-N 3.18Å; F94-G97 PolarHBondContact O-N 3.26Å; G97-R101 WeakPolarHBondContact O-CB 3.48Å; G97-R101 VanDerWaalsContact O-CD 3.26Å; G97-R101 WeakPolarHBondContact O-CD 3.49Å
98V96.7Very high93.4Very high0 Ų047.7 Ų47.70%025%0.248CC..Iπ-helixtrans-119.1-59.3-179-172.60000111.6K55 I58 V59 F94 E96 A102K55-V98 HydrophobicContact CB-CG2 3.99Å; K55-V98 HydrophobicContact CD-CG2 3.93Å; K55-V98 HydrophobicContact CG-CG2 3.76Å; I58-V98 HydrophobicContact CB-CG1 3.89Å; I58-V98 HydrophobicContact CD1-CG1 3.8Å; I58-V98 HydrophobicContact CG1-CG1 4.42Å; I58-V98 HydrophobicContact CG2-CG1 3.83Å; V59-V98 HydrophobicContact CG2-CB 4.38Å; V59-V98 HydrophobicContact CG2-CG1 4.26Å; V59-V98 HydrophobicContact CG2-CG2 4.23Å; F94-V98 HydrophobicContact CD2-CG2 3.78Å; F94-V98 HydrophobicContact CE1-CB 4.44Å; F94-V98 HydrophobicContact CE2-CB 4.32Å; F94-V98 HydrophobicContact CE2-CG1 4.46Å; F94-V98 HydrophobicContact CE2-CG2 3.8Å; F94-V98 HydrophobicContact CG-CG2 4.24Å; F94-V98 HydrophobicContact CZ-CB 4.29Å; F94-V98 HydrophobicContact CZ-CG1 4.23Å; F94-V98 HydrophobicContact CZ-CG2 4.27Å; F94-V98 WeakPolarHBondContact O-CA 3.42Å; F94-V98 WeakPolarHBondContact O-CB 3.05Å; F94-V98 WeakPolarHBondContact O-CG2 3.2Å; F94-V98 PolarHBondContact O-N 3.33Å; E96-V98 VanDerWaalsContact C-N 3.33Å; E96-V98 PolarHBondContact O-N 3.04Å; V98-A102 WeakPolarHBondContact O-CB 3.47Å; V98-A102 PolarHBondContact O-N 3.16Å; V98-A102 VanDerWaalsContact O-N 3.11Å
99L96.1Very high92.9Very high0 Ų046.5 Ų46.50%024%0.244CC..Iπ-helixtrans-75.4-59.5-172.7-60.6-176.7000111.6L71 L74 V95 R101 A102 V117 I121 W124L71-L99 HydrophobicContact CD2-CD2 3.6Å; L74-L99 HydrophobicContact CD2-CD2 3.94Å; V95-L99 HydrophobicContact CG1-CD1 4.37Å; V95-L99 WeakPolarHBondContact O-CA 3.28Å; V95-L99 WeakPolarHBondContact O-CB 3.42Å; V95-L99 PolarHBondContact O-N 3.5Å; L99-R101 PolarHBondContact O-N 3.38Å; L99-A102 WeakPolarHBondContact O-CB 3.49Å; L99-A102 PolarHBondContact O-N 3.16Å; L99-V117 HydrophobicContact CB-CG1 4.03Å; L99-I121 HydrophobicContact CB-CD1 4.11Å; L99-I121 HydrophobicContact CB-CG1 4.34Å; L99-I121 HydrophobicContact CD1-CG1 3.95Å; L99-W124 HydrophobicContact CD1-CE3 4.47Å; L99-W124 HydrophobicContact CD1-CH2 4.24Å; L99-W124 HydrophobicContact CD1-CZ3 3.87Å
100V94.9Very high92.6Very high17 Ų1748.6 Ų48.610%0.10326%0.257CS..Iπ-helixtrans-60.7-38.3177.5-1750000110.5V95 A102 I103 L104 I121 V140 L144 L403V95-V100 PolarHBondContact O-N 3.41Å; V100-A102 VanDerWaalsContact C-N 3.27Å; V100-A102 PolarHBondContact O-N 2.93Å; V100-I103 VanDerWaalsContact O-CG1 3.24Å; V100-I103 WeakPolarHBondContact O-CG1 3.41Å; V100-I103 PolarHBondContact O-N 3.08Å; V100-L104 PolarHBondContact O-N 3.11Å; V100-I121 HydrophobicContact CG2-CD1 4.13Å; V100-V140 HydrophobicContact CG2-CG1 3.79Å; V100-L144 HydrophobicContact CG1-CD2 4.37Å; V100-L144 HydrophobicContact CG2-CD1 4.03Å; V100-L403 HydrophobicContact CG1-CD2 4.44Å
101R94Very high92.3Very high132 Ų13253 Ų5350%0.49828%0.284SS..Hα-helixtrans-60.4-31.9174.9-170.6171-176.4154.32.6113.7E96 G97 L99 L104 N107E96-R101 WeakPolarHBondContact O-CB 3.44Å; E96-R101 PolarHBondContact O-N 3.08Å; G97-R101 WeakPolarHBondContact O-CB 3.48Å; G97-R101 VanDerWaalsContact O-CD 3.26Å; G97-R101 WeakPolarHBondContact O-CD 3.49Å; L99-R101 PolarHBondContact O-N 3.38Å; R101-L104 HydrophobicContact CB-CD1 4.48Å; R101-L104 HydrophobicContact CG-CD1 4.02Å; R101-N107 PolarHBondContact O-ND2 3.19Å
102A92.1Very high92.1Very high9 Ų955.7 Ų55.77%0.07430%0.299CS..Hα-helixtrans-67.7-36.9178.100000112.1I58 V98 L99 V100 N107I58-A102 HydrophobicContact CG2-CB 3.85Å; V98-A102 WeakPolarHBondContact O-CB 3.47Å; V98-A102 PolarHBondContact O-N 3.16Å; V98-A102 VanDerWaalsContact O-N 3.11Å; L99-A102 WeakPolarHBondContact O-CB 3.49Å; L99-A102 PolarHBondContact O-N 3.16Å; V100-A102 VanDerWaalsContact C-N 3.27Å; V100-A102 PolarHBondContact O-N 2.93Å; A102-N107 PolarHBondContact O-ND2 2.69Å
103I91.3Very high92Very high16 Ų1652.6 Ų52.68%0.08229%0.285CS..THydrogen-bonded Turntrans-90.84.5-176.660.4169.5000115V100 L113 H114 V117 L118V100-I103 VanDerWaalsContact O-CG1 3.24Å; V100-I103 WeakPolarHBondContact O-CG1 3.41Å; V100-I103 PolarHBondContact O-N 3.08Å; I103-L113 HydrophobicContact CG2-CD2 3.98Å; I103-H114 HydrophobicContact CG2-CB 4.46Å; I103-V117 HydrophobicContact CD1-CG1 4.04Å; I103-V117 HydrophobicContact CG1-CG1 4.3Å; I103-V117 HydrophobicContact CG2-CB 3.63Å; I103-V117 HydrophobicContact CG2-CG1 3.76Å; I103-V117 HydrophobicContact CG2-CG2 3.86Å; I103-L118 HydrophobicContact CD1-CD2 3.68Å; I103-L118 HydrophobicContact CD1-CG 4.43Å
104L89Confident91.9Very high20 Ų2048.8 Ų48.811%0.10526%0.262CS..  trans-56.3138.9176.6-73.7173000111.5V100 R101 K106 N107 L403 L407V100-L104 PolarHBondContact O-N 3.11Å; R101-L104 HydrophobicContact CB-CD1 4.48Å; R101-L104 HydrophobicContact CG-CD1 4.02Å; L104-K106 PolarHBondContact O-N 3.41Å; L104-N107 WeakPolarHBondContact O-CB 3.48Å; L104-N107 PolarHBondContact O-N 3.47Å; L104-L403 HydrophobicContact CD2-CB 4.08Å; L104-L403 HydrophobicContact CD2-CD1 3.96Å; L104-L403 HydrophobicContact CD2-CD2 3.99Å; L104-L403 HydrophobicContact CD2-CG 4.23Å; L104-L407 HydrophobicContact CD1-CD1 4.26Å
105P84.7Confident91.7Very high77 Ų7751.8 Ų51.850%0.528%0.279SS..G310 helixtrans-53.5-31.3176.6-28.935.2000113.8N107 N108 L403P105-N107 PolarHBondContact O-N 2.89Å; P105-N107 VanDerWaalsContact O-N 3.1Å; P105-N108 PolarHBondContact O-N 2.86Å; P105-N108 PolarHBondContact O-OD1 2.91Å; P105-L403 HydrophobicContact CG-CD1 4.17Å
106K86.4Confident91.6Very high146 Ų14654.4 Ų54.464%0.63529%0.288SS*.G310 helixtrans-58.1-21.2175.4-66.4175.9-176.51710113.6L104 D404L104-K106 PolarHBondContact O-N 3.41Å; K106-D404 IonicContact NZ-OD1 3.76Å; K106-D404 PolarHBondContact NZ-OD1 3.36Å
107N85.6Confident91.6Very high76 Ų7652 Ų5241%0.40628%0.277SS..G310 helixtrans-93.9-12.1177.8-57.2-9000113.4R101 A102 L104 P105R101-N107 PolarHBondContact O-ND2 3.19Å; A102-N107 PolarHBondContact O-ND2 2.69Å; L104-N107 WeakPolarHBondContact O-CB 3.48Å; L104-N107 PolarHBondContact O-N 3.47Å; P105-N107 PolarHBondContact O-N 2.89Å; P105-N107 VanDerWaalsContact O-N 3.1Å
108N84.9Confident91.7Very high130 Ų13051 Ų5170%0.69527%0.267SS*.  trans46.757.2-172.4-59.4-75000113.8F64 P105F64-N108 WeakPolarHBondContact CZ-O 3.49Å; P105-N108 PolarHBondContact O-N 2.86Å; P105-N108 PolarHBondContact O-OD1 2.91Å
109P87.1Confident91.6Very high29 Ų2953.1 Ų53.119%0.18828%0.282CS..  trans-65.8147-178.731.5-38.1000112L113P109-L113 HydrophobicContact CB-CD2 3.95Å
110P91.3Very high91.6Very high44 Ų4453.3 Ų53.329%0.28628%0.283SS..  trans-68.8150167.630.7-34.2000110.3F64 T112 L113 H114F64-P110 HydrophobicContact CB-CG 4.22Å; F64-P110 HydrophobicContact CD1-CG 4.27Å; F64-P110 HydrophobicContact CD2-CG 4.06Å; F64-P110 HydrophobicContact CE2-CG 4.49Å; F64-P110 HydrophobicContact CG-CG 3.93Å; P110-T112 PolarHBondContact O-N 3.33Å; P110-L113 HydrophobicContact CG-CB 3.86Å; P110-L113 PolarHBondContact O-N 2.68Å; P110-H114 PolarHBondContact O-N 3.28Å; P110-H114 VanDerWaalsContact O-N 3.15Å
111T91Very high91.7Very high95 Ų9552.5 Ų52.558%0.58328%0.278SS*.Hα-helixtrans-52.4-40.8-178.7-46.30000112.4L113 H114 D115T111-L113 VanDerWaalsContact C-N 3.29Å; T111-L113 PolarHBondContact O-N 2.97Å; T111-H114 WeakPolarHBondContact O-CA 3.42Å; T111-H114 WeakPolarHBondContact O-CB 3.5Å; T111-H114 PolarHBondContact O-N 2.93Å; T111-H114 VanDerWaalsContact O-N 3.07Å; T111-D115 PolarHBondContact O-N 2.99Å
112T92.4Very high91.8Very high97 Ų9746.9 Ų46.960%0.59526%0.257SS*.Hα-helixtrans-58.6-35.4177.449.80000114.1P110 R116P110-T112 PolarHBondContact O-N 3.33Å; T112-R116 WeakPolarHBondContact O-CB 3.46Å; T112-R116 PolarHBondContact O-N 2.9Å; T112-R116 VanDerWaalsContact O-N 3.16Å
113L93.8Very high92Very high1 Ų147.8 Ų47.81%0.00527%0.265CS..Hα-helixtrans-77.1-37176.2-174.8154.8000111F64 I67 M68 I103 P109 P110 T111 V117F64-L113 HydrophobicContact CB-CD1 4.2Å; F64-L113 HydrophobicContact CD1-CD1 3.75Å; F64-L113 HydrophobicContact CG-CD1 4.39Å; I67-L113 HydrophobicContact CB-CD1 4.02Å; I67-L113 HydrophobicContact CD1-CD1 4.41Å; I67-L113 HydrophobicContact CG2-CD1 3.72Å; I67-L113 HydrophobicContact CG2-CG 4.43Å; M68-L113 HydrophobicContact SD-CB 4.18Å; M68-L113 HydrophobicContact SD-CG 4.32Å; I103-L113 HydrophobicContact CG2-CD2 3.98Å; P109-L113 HydrophobicContact CB-CD2 3.95Å; P110-L113 HydrophobicContact CG-CB 3.86Å; P110-L113 PolarHBondContact O-N 2.68Å; T111-L113 VanDerWaalsContact C-N 3.29Å; T111-L113 PolarHBondContact O-N 2.97Å; L113-V117 HydrophobicContact CD2-CG2 4.23Å; L113-V117 WeakPolarHBondContact O-CG2 3.4Å; L113-V117 PolarHBondContact O-N 2.9Å
114H93.3Very high92.2Very high54 Ų5447.6 Ų47.625%0.2526%0.263CS..Hα-helixtrans-59-54.3174.1-175.7-87.6000111I103 P110 T111 R116 V117 L118I103-H114 HydrophobicContact CG2-CB 4.46Å; P110-H114 PolarHBondContact O-N 3.28Å; P110-H114 VanDerWaalsContact O-N 3.15Å; T111-H114 WeakPolarHBondContact O-CA 3.42Å; T111-H114 WeakPolarHBondContact O-CB 3.5Å; T111-H114 PolarHBondContact O-N 2.93Å; T111-H114 VanDerWaalsContact O-N 3.07Å; H114-R116 VanDerWaalsContact C-N 3.33Å; H114-R116 PolarHBondContact O-N 3.26Å; H114-V117 PolarHBondContact O-N 2.87Å; H114-L118 WeakPolarHBondContact CE1-CD1 3.22Å; H114-L118 WeakPolarHBondContact O-CG 3.47Å; H114-L118 PolarHBondContact O-N 3.48Å
115D93.4Very high92.5Very high71 Ų7146.6 Ų46.638%0.3826%0.258SS..Hα-helixtrans-61.8-41-179.4-55.9-18.5000111.5T111 V117 L118 S119T111-D115 PolarHBondContact O-N 2.99Å; D115-V117 PolarHBondContact O-N 3.03Å; D115-L118 PolarHBondContact O-N 3.44Å; D115-S119 VanDerWaalsContact O-CB 3.24Å; D115-S119 WeakPolarHBondContact O-CB 3.42Å; D115-S119 PolarHBondContact O-N 3.47Å
116R95.4Very high93Very high55 Ų5545.4 Ų45.421%0.20825%0.247CC..Hα-helixtrans-60.9-43.3176.1-176.562.6159.3145.63.9112.4M68 L71 T72 E75 T112 H114 L120M68-R116 HydrophobicContact CE-CB 4.19Å; M68-R116 HydrophobicContact CE-CG 3.93Å; M68-R116 HydrophobicContact SD-CB 4.15Å; M68-R116 HydrophobicContact SD-CG 4.04Å; L71-R116 HydrophobicContact CD1-CG 4.24Å; T72-R116 PolarHBondContact OG1-NH2 3.18Å; E75-R116 IonicContact OE2-CZ 3.97Å; E75-R116 IonicContact OE2-NH1 2.69Å; E75-R116 PolarHBondContact OE2-NH1 3.41Å; E75-R116 IonicContact OE2-NH2 2.74Å; E75-R116 PolarHBondContact OE2-NH2 2.93Å; T112-R116 WeakPolarHBondContact O-CB 3.46Å; T112-R116 PolarHBondContact O-N 2.9Å; T112-R116 VanDerWaalsContact O-N 3.16Å; H114-R116 VanDerWaalsContact C-N 3.33Å; H114-R116 PolarHBondContact O-N 3.26Å; R116-L120 WeakPolarHBondContact O-CG 3.42Å; R116-L120 PolarHBondContact O-N 3.07Å; R116-L120 VanDerWaalsContact O-N 3.12Å
117V96.2Very high93.3Very high0 Ų041.3 Ų41.30%024%0.241CC..Hα-helixtrans-68.2-42.5178166.30000111.4L71 L99 I103 L113 H114 D115 L120 I121L71-V117 HydrophobicContact CD1-CG2 3.65Å; L71-V117 HydrophobicContact CD2-CG2 4.17Å; L99-V117 HydrophobicContact CB-CG1 4.03Å; I103-V117 HydrophobicContact CD1-CG1 4.04Å; I103-V117 HydrophobicContact CG1-CG1 4.3Å; I103-V117 HydrophobicContact CG2-CB 3.63Å; I103-V117 HydrophobicContact CG2-CG1 3.76Å; I103-V117 HydrophobicContact CG2-CG2 3.86Å; L113-V117 HydrophobicContact CD2-CG2 4.23Å; L113-V117 WeakPolarHBondContact O-CG2 3.4Å; L113-V117 PolarHBondContact O-N 2.9Å; H114-V117 PolarHBondContact O-N 2.87Å; D115-V117 PolarHBondContact O-N 3.03Å; V117-L120 PolarHBondContact O-N 3.47Å; V117-I121 HydrophobicContact CG1-CD1 3.91Å; V117-I121 WeakPolarHBondContact O-CG1 3.47Å; V117-I121 PolarHBondContact O-N 3.38Å
118L95.1Very high93.7Very high2 Ų238.7 Ų38.71%0.0123%0.225CC..Hα-helixtrans-65.8-41.4177.3-65.7-168.3000112.3I103 H114 D115 L120 I121 Q122 L149 E150 F151 P152I103-L118 HydrophobicContact CD1-CD2 3.68Å; I103-L118 HydrophobicContact CD1-CG 4.43Å; H114-L118 WeakPolarHBondContact CE1-CD1 3.22Å; H114-L118 WeakPolarHBondContact O-CG 3.47Å; H114-L118 PolarHBondContact O-N 3.48Å; D115-L118 PolarHBondContact O-N 3.44Å; L118-L120 VanDerWaalsContact C-N 3.35Å; L118-L120 PolarHBondContact O-N 3.22Å; L118-I121 PolarHBondContact O-N 2.95Å; L118-Q122 WeakPolarHBondContact O-CB 3.38Å; L118-Q122 PolarHBondContact O-N 2.89Å; L118-L149 HydrophobicContact CD1-CD2 4.09Å; L118-L149 HydrophobicContact CD1-CG 4.29Å; L118-L149 HydrophobicContact CD2-CD2 3.66Å; L118-E150 VanDerWaalsContact CD1-O 3.28Å; L118-E150 WeakPolarHBondContact CD1-O 3.27Å; L118-F151 HydrophobicContact CB-CD1 3.73Å; L118-F151 HydrophobicContact CB-CE1 4.02Å; L118-F151 HydrophobicContact CB-CG 4.48Å; L118-F151 HydrophobicContact CD2-CD1 4.29Å; L118-F151 HydrophobicContact CD2-CE1 3.81Å; L118-F151 HydrophobicContact CD2-CZ 4.09Å; L118-F151 HydrophobicContact CG-CD1 4.4Å; L118-F151 HydrophobicContact CG-CE1 4.4Å; L118-F151 WeakPolarHBondContact O-CD1 3.46Å; L118-P152 HydrophobicContact CB-CG 4.49Å
119S95.6Very high94.1Very high45 Ų4538.5 Ų38.532%0.31522%0.215SC..Hα-helixtrans-56-46.1173173.30000112D115 Q122 A123D115-S119 VanDerWaalsContact O-CB 3.24Å; D115-S119 WeakPolarHBondContact O-CB 3.42Å; D115-S119 PolarHBondContact O-N 3.47Å; S119-Q122 PolarHBondContact O-N 3.44Å; S119-A123 VanDerWaalsContact O-CB 3.3Å; S119-A123 WeakPolarHBondContact O-CB 3.38Å; S119-A123 PolarHBondContact O-N 3.03Å
120L96.8Very high94.4Very high4 Ų442 Ų422%0.02124%0.241CC..Hα-helixtrans-63.8-44.6176.3-71.1170.6000112.6L71 E75 R116 V117 L118 Q122 W124L71-L120 HydrophobicContact CB-CD1 4.12Å; L71-L120 HydrophobicContact CD2-CD1 4.02Å; E75-L120 HydrophobicContact CB-CD2 3.83Å; E75-L120 HydrophobicContact CG-CD2 3.72Å; R116-L120 WeakPolarHBondContact O-CG 3.42Å; R116-L120 PolarHBondContact O-N 3.07Å; R116-L120 VanDerWaalsContact O-N 3.12Å; V117-L120 PolarHBondContact O-N 3.47Å; L118-L120 VanDerWaalsContact C-N 3.35Å; L118-L120 PolarHBondContact O-N 3.22Å; L120-Q122 VanDerWaalsContact C-N 3.35Å; L120-Q122 PolarHBondContact O-N 3.05Å; L120-W124 HydrophobicContact CD2-CZ2 4.3Å; L120-W124 WeakPolarHBondContact O-CB 3.36Å; L120-W124 VanDerWaalsContact O-CD1 3.3Å; L120-W124 PolarHBondContact O-N 3.29Å
121I96.9Very high94.4Very high0 Ų041.9 Ų41.90%024%0.24CC..Hα-helixtrans-61.6-43.6178.4-67.9169.9000110.8V95 L99 V100 V117 L118 A125 V137 Y141 L144 F151V95-I121 HydrophobicContact CG1-CD1 4.28Å; V95-I121 HydrophobicContact CG1-CG1 4.13Å; L99-I121 HydrophobicContact CB-CD1 4.11Å; L99-I121 HydrophobicContact CB-CG1 4.34Å; L99-I121 HydrophobicContact CD1-CG1 3.95Å; V100-I121 HydrophobicContact CG2-CD1 4.13Å; V117-I121 HydrophobicContact CG1-CD1 3.91Å; V117-I121 WeakPolarHBondContact O-CG1 3.47Å; V117-I121 PolarHBondContact O-N 3.38Å; L118-I121 PolarHBondContact O-N 2.95Å; I121-A125 VanDerWaalsContact O-CB 3.22Å; I121-A125 WeakPolarHBondContact O-CB 3.41Å; I121-A125 PolarHBondContact O-N 3.02Å; I121-V137 HydrophobicContact CG2-CG2 4.41Å; I121-Y141 HydrophobicContact CG2-CD2 4.24Å; I121-L144 HydrophobicContact CD1-CD1 4.28Å; I121-F151 HydrophobicContact CB-CE1 4.22Å; I121-F151 HydrophobicContact CG2-CE1 4.04Å; I121-F151 HydrophobicContact CG2-CZ 4.39Å
122Q95.6Very high94.4Very high13 Ų1343.4 Ų43.46%0.06125%0.252CS..Hα-helixtrans-65.1-52.4177.6-177.6161-6600111.8L118 S119 L120 W124 A125 D126 Y141 F151 P152 T154L118-Q122 WeakPolarHBondContact O-CB 3.38Å; L118-Q122 PolarHBondContact O-N 2.89Å; S119-Q122 PolarHBondContact O-N 3.44Å; L120-Q122 VanDerWaalsContact C-N 3.35Å; L120-Q122 PolarHBondContact O-N 3.05Å; Q122-W124 VanDerWaalsContact C-N 3.26Å; Q122-W124 PolarHBondContact O-N 3.32Å; Q122-A125 PolarHBondContact O-N 3.28Å; Q122-A125 VanDerWaalsContact O-N 3.11Å; Q122-D126 PolarHBondContact O-N 2.97Å; Q122-Y141 HydrophobicContact CB-CD2 4.28Å; Q122-Y141 HydrophobicContact CB-CE2 3.74Å; Q122-Y141 HydrophobicContact CG-CE2 3.74Å; Q122-Y141 PolarHBondContact OE1-OH 3.47Å; Q122-F151 HydrophobicContact CB-CD1 4.01Å; Q122-P152 PolarHBondContact NE2-O 3.41Å; Q122-T154 PolarHBondContact NE2-OG1 3.3Å
123A95.1Very high94.3Very high28 Ų2842.5 Ų42.523%0.23125%0.25CC..Hα-helixtrans-57.5-39.3-178.800000112.2S119 A127S119-A123 VanDerWaalsContact O-CB 3.3Å; S119-A123 WeakPolarHBondContact O-CB 3.38Å; S119-A123 PolarHBondContact O-N 3.03Å; A123-A127 WeakPolarHBondContact O-CB 3.3Å; A123-A127 PolarHBondContact O-N 2.9Å
124W96.4Very high94.3Very high12 Ų1242.7 Ų42.75%0.04525%0.251CS..Hα-helixtrans-77-35177.5-60.41.6000112.7L74 V78 V89 L99 L120 Q122 D126 F128 V137L74-W124 HydrophobicContact CD1-CH2 3.91Å; L74-W124 HydrophobicContact CD2-CH2 3.84Å; L74-W124 HydrophobicContact CG-CH2 3.64Å; L74-W124 HydrophobicContact CG-CZ2 4.07Å; V78-W124 HydrophobicContact CB-CZ2 4.1Å; V78-W124 HydrophobicContact CG1-CD2 4.42Å; V78-W124 HydrophobicContact CG1-CG 4.5Å; V78-W124 HydrophobicContact CG1-CZ2 4.49Å; V78-W124 HydrophobicContact CG2-CD2 4.38Å; V78-W124 HydrophobicContact CG2-CH2 3.78Å; V78-W124 HydrophobicContact CG2-CZ2 3.49Å; V78-W124 VanDerWaalsContact CG2-CZ2 3.49Å; V78-W124 HydrophobicContact CG2-CZ3 4.34Å; V89-W124 HydrophobicContact CB-CZ3 4.34Å; L99-W124 HydrophobicContact CD1-CE3 4.47Å; L99-W124 HydrophobicContact CD1-CH2 4.24Å; L99-W124 HydrophobicContact CD1-CZ3 3.87Å; L120-W124 HydrophobicContact CD2-CZ2 4.3Å; L120-W124 WeakPolarHBondContact O-CB 3.36Å; L120-W124 VanDerWaalsContact O-CD1 3.3Å; L120-W124 PolarHBondContact O-N 3.29Å; Q122-W124 VanDerWaalsContact C-N 3.26Å; Q122-W124 PolarHBondContact O-N 3.32Å; W124-D126 VanDerWaalsContact C-N 3.33Å; W124-F128 HydrophobicContact CB-CD2 4.1Å; W124-F128 HydrophobicContact CB-CE2 4.12Å; W124-F128 HydrophobicContact CG-CE2 4.4Å; W124-F128 VanDerWaalsContact O-CB 3.26Å; W124-F128 WeakPolarHBondContact O-CB 3.26Å; W124-F128 VanDerWaalsContact O-CD2 3.3Å; W124-F128 WeakPolarHBondContact O-CD2 3.3Å; W124-F128 WeakPolarHBondContact O-CG 3.2Å; W124-F128 PolarHBondContact O-N 2.74Å; W124-V137 HydrophobicContact CB-CG1 4.31Å; W124-V137 HydrophobicContact CB-CG2 4.03Å
125A95.8Very high94.2Very high0 Ų041.1 Ų41.10%025%0.249CC..Hα-helixtrans-62.7-41.2173.200000111.5I121 Q122 R129 Y141I121-A125 VanDerWaalsContact O-CB 3.22Å; I121-A125 WeakPolarHBondContact O-CB 3.41Å; I121-A125 PolarHBondContact O-N 3.02Å; Q122-A125 PolarHBondContact O-N 3.28Å; Q122-A125 VanDerWaalsContact O-N 3.11Å; A125-R129 WeakPolarHBondContact O-CB 3.48Å; A125-R129 PolarHBondContact O-N 2.84Å; A125-R129 VanDerWaalsContact O-N 3.11Å; A125-Y141 HydrophobicContact CB-CD1 3.79Å; A125-Y141 HydrophobicContact CB-CD2 4.33Å; A125-Y141 HydrophobicContact CB-CG 3.65Å
126D93.8Very high94.3Very high52 Ų5238.6 Ų38.628%0.27824%0.24SC..Hα-helixtrans-70.1-47175.8-69.6-33000111.6Q122 W124 F128 R129Q122-D126 PolarHBondContact O-N 2.97Å; W124-D126 VanDerWaalsContact C-N 3.33Å; D126-F128 VanDerWaalsContact C-N 3.33Å; D126-F128 PolarHBondContact O-N 3.25Å; D126-R129 PolarHBondContact O-N 2.94Å; D126-R129 IonicContact OD1-CZ 3.67Å; D126-R129 IonicContact OD1-NH1 3.38Å; D126-R129 PolarHBondContact OD1-NH1 3.48Å; D126-R129 IonicContact OD1-NH2 3.81Å; D126-R129 PolarHBondContact OD1-NH2 3.2Å
127A93.3Very high94.3Very high60 Ų6036 Ų3650%0.49623%0.23SC..Hα-helixtrans-63.5-33.4179.400000113.8A123A123-A127 WeakPolarHBondContact O-CB 3.3Å; A123-A127 PolarHBondContact O-N 2.9Å
128F94.8Very high94.3Very high20 Ų2037.1 Ų37.19%0.08824%0.237CC..Hα-helixtrans-102.42.5-176.7-58.4-37000114.4V78 H86 A90 W124 D126 S130 S131 L134 V137V78-F128 HydrophobicContact CG1-CE2 4.32Å; V78-F128 HydrophobicContact CG1-CZ 3.94Å; H86-F128 HydrophobicContact CB-CZ 4.27Å; H86-F128 AromaticContact CD2-CZ 3.82Å; H86-F128 AromaticContact CG-CZ 3.95Å; A90-F128 HydrophobicContact CB-CD2 4.02Å; A90-F128 HydrophobicContact CB-CE2 4.24Å; W124-F128 HydrophobicContact CB-CD2 4.1Å; W124-F128 HydrophobicContact CB-CE2 4.12Å; W124-F128 HydrophobicContact CG-CE2 4.4Å; W124-F128 VanDerWaalsContact O-CB 3.26Å; W124-F128 WeakPolarHBondContact O-CB 3.26Å; W124-F128 VanDerWaalsContact O-CD2 3.3Å; W124-F128 WeakPolarHBondContact O-CD2 3.3Å; W124-F128 WeakPolarHBondContact O-CG 3.2Å; W124-F128 PolarHBondContact O-N 2.74Å; D126-F128 VanDerWaalsContact C-N 3.33Å; D126-F128 PolarHBondContact O-N 3.25Å; F128-S130 PolarHBondContact O-N 3Å; F128-S130 VanDerWaalsContact O-N 3.08Å; F128-S131 PolarHBondContact O-N 3Å; F128-L134 HydrophobicContact CB-CB 3.79Å; F128-L134 HydrophobicContact CB-CD1 4.2Å; F128-L134 HydrophobicContact CD1-CD1 3.48Å; F128-L134 VanDerWaalsContact CD1-CD1 3.48Å; F128-L134 HydrophobicContact CD2-CB 4.4Å; F128-L134 HydrophobicContact CD2-CD1 4.32Å; F128-L134 HydrophobicContact CE1-CD1 3.85Å; F128-L134 HydrophobicContact CG-CB 4.05Å; F128-L134 HydrophobicContact CG-CD1 3.75Å; F128-L134 HydrophobicContact CZ-CD1 4.41Å; F128-V137 HydrophobicContact CB-CG1 4.46Å; F128-V137 HydrophobicContact CD2-CG1 4.09Å
129R92.9Very high94.3Very high126 Ų12640.2 Ų40.248%0.47526%0.258SS..THydrogen-bonded Turntrans-54.6-30.7-179.4-169.8175.3-79.9115.70.7113.7A125 D126 E142A125-R129 WeakPolarHBondContact O-CB 3.48Å; A125-R129 PolarHBondContact O-N 2.84Å; A125-R129 VanDerWaalsContact O-N 3.11Å; D126-R129 PolarHBondContact O-N 2.94Å; D126-R129 IonicContact OD1-CZ 3.67Å; D126-R129 IonicContact OD1-NH1 3.38Å; D126-R129 PolarHBondContact OD1-NH1 3.48Å; D126-R129 IonicContact OD1-NH2 3.81Å; D126-R129 PolarHBondContact OD1-NH2 3.2Å; R129-E142 IonicContact NH2-OE1 3.78Å
130S93Very high94.4Very high104 Ų10438.2 Ų38.273%0.72724%0.244SC*.THydrogen-bonded Turntrans-82-7.1178.959.30000114.8F128 P132F128-S130 PolarHBondContact O-N 3Å; F128-S130 VanDerWaalsContact O-N 3.08Å; S130-P132 WeakPolarHBondContact O-CD 3.3Å
131S92.5Very high94.4Very high40 Ų4038.8 Ų38.828%0.2825%0.246SC..  trans-114.6100-170.6-68.50000111.8F128 S133 L134 G135F128-S131 PolarHBondContact O-N 3Å; S131-S133 VanDerWaalsContact C-N 3.27Å; S131-S133 PolarHBondContact O-N 2.88Å; S131-S133 VanDerWaalsContact O-N 3.16Å; S131-L134 PolarHBondContact O-N 3.49Å; S131-G135 PolarHBondContact O-N 2.92Å
132P90.1Very high94.3Very high128 Ų12841.3 Ų41.383%0.83126%0.258SS*.G310 helixtrans-58.3-33.4-174.4-27.435.7000114.7S130 L134 G135S130-P132 WeakPolarHBondContact O-CD 3.3Å; P132-L134 PolarHBondContact O-N 2.73Å; P132-G135 PolarHBondContact O-N 3.28Å
133S90.4Very high94.3Very high78 Ų7842 Ų4255%0.54526%0.262SS..G310 helixtrans-69.7-11.1176.551.20000114.3H83 S131H83-S133 PolarHBondContact CE1-OG 3.32Å; H83-S133 VanDerWaalsContact CE1-OG 3.3Å; S131-S133 VanDerWaalsContact C-N 3.27Å; S131-S133 PolarHBondContact O-N 2.88Å; S131-S133 VanDerWaalsContact O-N 3.16Å
134L93.4Very high94.2Very high4 Ų441.3 Ų41.32%0.02125%0.254CS..G310 helixtrans-114.28.1179.3-55.7-177.9000112.3H86 V87 A90 F128 S131 P132 G136H86-L134 HydrophobicContact CB-CD1 3.97Å; H86-L134 HydrophobicContact CB-CD2 3.75Å; V87-L134 HydrophobicContact CB-CD2 4.31Å; V87-L134 HydrophobicContact CG1-CD2 3.76Å; A90-L134 HydrophobicContact CB-CB 4Å; A90-L134 HydrophobicContact CB-CD2 4.07Å; F128-L134 HydrophobicContact CB-CB 3.79Å; F128-L134 HydrophobicContact CB-CD1 4.2Å; F128-L134 HydrophobicContact CD1-CD1 3.48Å; F128-L134 VanDerWaalsContact CD1-CD1 3.48Å; F128-L134 HydrophobicContact CD2-CB 4.4Å; F128-L134 HydrophobicContact CD2-CD1 4.32Å; F128-L134 HydrophobicContact CE1-CD1 3.85Å; F128-L134 HydrophobicContact CG-CB 4.05Å; F128-L134 HydrophobicContact CG-CD1 3.75Å; F128-L134 HydrophobicContact CZ-CD1 4.41Å; S131-L134 PolarHBondContact O-N 3.49Å; P132-L134 PolarHBondContact O-N 2.73Å; L134-G136 PolarHBondContact O-N 2.75Å
135G92.4Very high94.1Very high21 Ų2146.8 Ų46.822%0.21628%0.275CS..THydrogen-bonded Turntrans-64.2-10.3-17400000116.1S131 P132 V137 V138 C139S131-G135 PolarHBondContact O-N 2.92Å; P132-G135 PolarHBondContact O-N 3.28Å; G135-V137 PolarHBondContact O-N 3.46Å; G135-V138 WeakPolarHBondContact O-CB 3.41Å; G135-V138 PolarHBondContact O-N 3.09Å; G135-V138 VanDerWaalsContact O-N 3.08Å; G135-C139 PolarHBondContact O-N 2.63Å; G135-C139 PolarHBondContact O-SG 3.33Å; G135-C139 VanDerWaalsContact O-SG 3.4Å
136G94.8Very high94.1Very high18 Ų1855.4 Ų55.419%0.18631%0.307CS..Hα-helixtrans-58.6-42.5-178.600000113.4A90 L134 V138 C139 V140A90-G136 CarbonylContact O-C 3.52Å; A90-G136 VanDerWaalsContact O-CA 3.25Å; A90-G136 WeakPolarHBondContact O-CA 3.39Å; A90-G136 PolarHBondContact O-N 2.75Å; L134-G136 PolarHBondContact O-N 2.75Å; G136-V138 VanDerWaalsContact C-N 3.33Å; G136-V138 PolarHBondContact O-N 3.44Å; G136-C139 PolarHBondContact O-N 3.12Å; G136-V140 WeakPolarHBondContact O-CG2 3.47Å; G136-V140 PolarHBondContact O-N 3.47Å; G136-V140 VanDerWaalsContact O-N 3.16Å
137V96.1Very high93.9Very high0 Ų057.8 Ų57.80%031%0.312CS..Hα-helixtrans-66.2-35175.366.70000112.3A90 V95 I121 W124 F128 G135 V140 Y141A90-V137 HydrophobicContact CB-CG1 4.19Å; A90-V137 PolarHBondContact O-N 3.32Å; V95-V137 HydrophobicContact CG1-CG2 4.31Å; V95-V137 HydrophobicContact CG2-CB 3.93Å; V95-V137 HydrophobicContact CG2-CG2 3.97Å; I121-V137 HydrophobicContact CG2-CG2 4.41Å; W124-V137 HydrophobicContact CB-CG1 4.31Å; W124-V137 HydrophobicContact CB-CG2 4.03Å; F128-V137 HydrophobicContact CB-CG1 4.46Å; F128-V137 HydrophobicContact CD2-CG1 4.09Å; G135-V137 PolarHBondContact O-N 3.46Å; V137-V140 PolarHBondContact O-N 2.93Å; V137-Y141 WeakPolarHBondContact O-CB 3.48Å; V137-Y141 PolarHBondContact O-N 3.34Å
138V95.9Very high93.6Very high24 Ų2457.9 Ų57.915%0.14532%0.319CS..Hα-helixtrans-65.5-44.4176.8-169.80000110.3G135 G136 V140 Y141 E142G135-V138 WeakPolarHBondContact O-CB 3.41Å; G135-V138 PolarHBondContact O-N 3.09Å; G135-V138 VanDerWaalsContact O-N 3.08Å; G136-V138 VanDerWaalsContact C-N 3.33Å; G136-V138 PolarHBondContact O-N 3.44Å; V138-V140 VanDerWaalsContact C-N 3.33Å; V138-V140 PolarHBondContact O-N 3.43Å; V138-Y141 PolarHBondContact O-N 3.4Å; V138-E142 WeakPolarHBondContact O-CG 3.35Å; V138-E142 PolarHBondContact O-N 3.17Å
139C95.7Very high93.4Very high68 Ų6858.8 Ų58.846%0.45933%0.325SS..Hα-helixtrans-58.6-43.5174.8-66.40000112G135 G136 D143G135-C139 PolarHBondContact O-N 2.63Å; G135-C139 PolarHBondContact O-SG 3.33Å; G135-C139 VanDerWaalsContact O-SG 3.4Å; G136-C139 PolarHBondContact O-N 3.12Å; C139-D143 VanDerWaalsContact O-CB 3.27Å; C139-D143 WeakPolarHBondContact O-CB 3.38Å; C139-D143 PolarHBondContact O-N 3.3Å
140V96.6Very high93.1Very high2 Ų261.2 Ų61.21%0.01234%0.341CS..Hα-helixtrans-67.7-43.2178178.80000111.7Q92 V95 E96 V100 G136 V137 V138 D143 L144Q92-V140 HydrophobicContact CB-CG2 4.45Å; Q92-V140 HydrophobicContact CG-CG2 3.82Å; V95-V140 HydrophobicContact CB-CG2 4.26Å; V95-V140 HydrophobicContact CG1-CB 3.95Å; V95-V140 HydrophobicContact CG1-CG1 3.75Å; V95-V140 HydrophobicContact CG1-CG2 4.17Å; E96-V140 HydrophobicContact CG-CG1 4.25Å; E96-V140 HydrophobicContact CG-CG2 3.66Å; V100-V140 HydrophobicContact CG2-CG1 3.79Å; G136-V140 WeakPolarHBondContact O-CG2 3.47Å; G136-V140 PolarHBondContact O-N 3.47Å; G136-V140 VanDerWaalsContact O-N 3.16Å; V137-V140 PolarHBondContact O-N 2.93Å; V138-V140 VanDerWaalsContact C-N 3.33Å; V138-V140 PolarHBondContact O-N 3.43Å; V140-D143 PolarHBondContact O-N 3.33Å; V140-L144 HydrophobicContact CG1-CD1 3.93Å; V140-L144 HydrophobicContact CG1-CG 4.25Å; V140-L144 VanDerWaalsContact O-CG 3.27Å; V140-L144 WeakPolarHBondContact O-CG 3.47Å; V140-L144 PolarHBondContact O-N 2.91Å
141Y96.6Very high93Very high17 Ų1757.9 Ų57.97%0.06731%0.314CS..Hα-helixtrans-57.1-51.6176.3174.8-110.4000111.8I121 Q122 A125 V137 V138 D143 L144 R145 F151I121-Y141 HydrophobicContact CG2-CD2 4.24Å; Q122-Y141 HydrophobicContact CB-CD2 4.28Å; Q122-Y141 HydrophobicContact CB-CE2 3.74Å; Q122-Y141 HydrophobicContact CG-CE2 3.74Å; Q122-Y141 PolarHBondContact OE1-OH 3.47Å; A125-Y141 HydrophobicContact CB-CD1 3.79Å; A125-Y141 HydrophobicContact CB-CD2 4.33Å; A125-Y141 HydrophobicContact CB-CG 3.65Å; V137-Y141 WeakPolarHBondContact O-CB 3.48Å; V137-Y141 PolarHBondContact O-N 3.34Å; V138-Y141 PolarHBondContact O-N 3.4Å; Y141-D143 PolarHBondContact O-N 3.03Å; Y141-L144 PolarHBondContact O-N 2.95Å; Y141-R145 HydrophobicContact CE2-CG 4.35Å; Y141-R145 VanDerWaalsContact CZ-CD 3.43Å; Y141-R145 WeakPolarHBondContact O-CG 3.46Å; Y141-R145 PolarHBondContact O-N 3.05Å; Y141-F151 HydrophobicContact CD2-CD1 4.02Å; Y141-F151 AromaticContact CD2-CE1 3.55Å; Y141-F151 HydrophobicContact CD2-CE1 3.55Å; Y141-F151 HydrophobicContact CD2-CE2 4.09Å; Y141-F151 HydrophobicContact CD2-CG 4.49Å; Y141-F151 AromaticContact CD2-CZ 3.58Å; Y141-F151 HydrophobicContact CD2-CZ 3.58Å; Y141-F151 AromaticContact CE2-CD1 3.74Å; Y141-F151 HydrophobicContact CE2-CD1 3.74Å; Y141-F151 HydrophobicContact CE2-CD2 4.11Å; Y141-F151 AromaticContact CE2-CE1 3.77Å; Y141-F151 HydrophobicContact CE2-CE1 3.77Å; Y141-F151 HydrophobicContact CE2-CE2 4.14Å; Y141-F151 AromaticContact CE2-CG 3.92Å; Y141-F151 HydrophobicContact CE2-CG 3.92Å; Y141-F151 AromaticContact CE2-CZ 3.98Å; Y141-F151 HydrophobicContact CE2-CZ 3.98Å
142E95.3Very high92.5Very high53 Ų5358.1 Ų58.125%0.24832%0.315CS..Hα-helixtrans-72.9-24.9179.4-56.9-61.3172.100113.1R129 V138 R145 R146R129-E142 IonicContact NH2-OE1 3.78Å; V138-E142 WeakPolarHBondContact O-CG 3.35Å; V138-E142 PolarHBondContact O-N 3.17Å; E142-R145 IonicContact OE1-NH1 3.63Å; E142-R145 IonicContact OE2-CZ 3.4Å; E142-R145 IonicContact OE2-NH1 2.66Å; E142-R145 PolarHBondContact OE2-NH1 2.86Å; E142-R146 WeakPolarHBondContact O-CB 3.45Å; E142-R146 WeakPolarHBondContact O-CG 3.5Å; E142-R146 PolarHBondContact O-N 3.32Å; E142-R146 PolarHBondContact O-NE 2.93Å
143D95.6Very high91.8Very high28 Ų2860.8 Ų60.815%0.1532%0.318CS..Hα-helixtrans-64.6-45.4167.5-94.7-2.8000111C139 V140 Y141 R146 R147 R406C139-D143 VanDerWaalsContact O-CB 3.27Å; C139-D143 WeakPolarHBondContact O-CB 3.38Å; C139-D143 PolarHBondContact O-N 3.3Å; V140-D143 PolarHBondContact O-N 3.33Å; Y141-D143 PolarHBondContact O-N 3.03Å; D143-R146 PolarHBondContact O-N 3.12Å; D143-R146 IonicContact OD1-CZ 2.72Å; D143-R146 IonicContact OD1-NH1 3.34Å; D143-R146 IonicContact OD1-NH2 3.4Å; D143-R146 PolarHBondContact OD1-NH2 3.4Å; D143-R147 WeakPolarHBondContact O-CD 3.49Å; D143-R147 WeakPolarHBondContact O-CG 3.43Å; D143-R147 PolarHBondContact O-N 3.15Å; D143-R406 IonicContact OD2-CZ 2.74Å; D143-R406 IonicContact OD2-NH1 2.91Å; D143-R406 PolarHBondContact OD2-NH1 3.29Å; D143-R406 IonicContact OD2-NH2 3.51Å
144L94Very high90.4Very high13 Ų1359.9 Ų59.97%0.06831%0.309CS..Hα-helixtrans-67.7-42.5-179.6-69.3172.2000111.9V100 I121 V140 Y141 R146 R147 L149 F151V100-L144 HydrophobicContact CG1-CD2 4.37Å; V100-L144 HydrophobicContact CG2-CD1 4.03Å; I121-L144 HydrophobicContact CD1-CD1 4.28Å; V140-L144 HydrophobicContact CG1-CD1 3.93Å; V140-L144 HydrophobicContact CG1-CG 4.25Å; V140-L144 VanDerWaalsContact O-CG 3.27Å; V140-L144 WeakPolarHBondContact O-CG 3.47Å; V140-L144 PolarHBondContact O-N 2.91Å; Y141-L144 PolarHBondContact O-N 2.95Å; L144-R146 PolarHBondContact O-N 3.47Å; L144-R147 WeakPolarHBondContact O-CB 3.28Å; L144-R147 PolarHBondContact O-N 3.44Å; L144-R147 VanDerWaalsContact O-N 3.1Å; L144-L149 HydrophobicContact CB-CB 4.36Å; L144-L149 HydrophobicContact CB-CD2 4.19Å; L144-L149 HydrophobicContact CD1-CD2 4.37Å; L144-L149 HydrophobicContact CD2-CD2 4.15Å; L144-L149 HydrophobicContact CG-CD2 4.46Å; L144-L149 WeakPolarHBondContact O-CB 3.3Å; L144-L149 PolarHBondContact O-N 2.95Å; L144-F151 HydrophobicContact CB-CE2 3.89Å; L144-F151 HydrophobicContact CB-CZ 3.86Å; L144-F151 HydrophobicContact CD1-CZ 3.93Å
145R93.8Very high88.5Confident126 Ų12664.4 Ų64.448%0.47533%0.334SS..Hα-helixtrans-60.8-44.3174.5-70.4178.671.1-14711.8112.3Y141 E142 R147 G148 F151Y141-R145 HydrophobicContact CE2-CG 4.35Å; Y141-R145 VanDerWaalsContact CZ-CD 3.43Å; Y141-R145 WeakPolarHBondContact O-CG 3.46Å; Y141-R145 PolarHBondContact O-N 3.05Å; E142-R145 IonicContact OE1-NH1 3.63Å; E142-R145 IonicContact OE2-CZ 3.4Å; E142-R145 IonicContact OE2-NH1 2.66Å; E142-R145 PolarHBondContact OE2-NH1 2.86Å; R145-R147 PolarHBondContact O-N 3.27Å; R145-G148 PolarHBondContact O-N 2.86Å; R145-F151 HydrophobicContact CG-CD2 3.87Å; R145-F151 HydrophobicContact CG-CE2 3.73Å
146R94.9Very high86.6Confident182 Ų18269.9 Ų69.969%0.68736%0.357SS*.Hα-helixtrans-63.5-20.5175.3-80.8179.8-72.3147.2-2.6113.8E142 D143 L144 G148E142-R146 WeakPolarHBondContact O-CB 3.45Å; E142-R146 WeakPolarHBondContact O-CG 3.5Å; E142-R146 PolarHBondContact O-N 3.32Å; E142-R146 PolarHBondContact O-NE 2.93Å; D143-R146 PolarHBondContact O-N 3.12Å; D143-R146 IonicContact OD1-CZ 2.72Å; D143-R146 IonicContact OD1-NH1 3.34Å; D143-R146 IonicContact OD1-NH2 3.4Å; D143-R146 PolarHBondContact OD1-NH2 3.4Å; L144-R146 PolarHBondContact O-N 3.47Å; R146-G148 VanDerWaalsContact C-N 3.29Å
147R90.6Very high84.6Confident102 Ų10275.2 Ų75.239%0.38538%0.382SS..THydrogen-bonded Turntrans-86.74.1173.9-66.6157.5-178.1-982113.2D143 L144 R145 A402D143-R147 WeakPolarHBondContact O-CD 3.49Å; D143-R147 WeakPolarHBondContact O-CG 3.43Å; D143-R147 PolarHBondContact O-N 3.15Å; L144-R147 WeakPolarHBondContact O-CB 3.28Å; L144-R147 PolarHBondContact O-N 3.44Å; L144-R147 VanDerWaalsContact O-N 3.1Å; R145-R147 PolarHBondContact O-N 3.27Å; R147-A402 PolarHBondContact NH1-O 3.04Å
148G86.9Confident82.6Confident62 Ų6277.5 Ų77.564%0.63940%0.401SS*.THydrogen-bonded Turntrans79.818.1179.800000114.3R145 R146 E150R145-G148 PolarHBondContact O-N 2.86Å; R146-G148 VanDerWaalsContact C-N 3.29Å; G148-E150 PolarHBondContact O-N 3.44Å
149L89.6Confident80.6Confident39 Ų3980.4 Ų80.420%0.20442%0.415CS..  trans-78.1118173.8-159.672.2000109.6L118 L144 F151L118-L149 HydrophobicContact CD1-CD2 4.09Å; L118-L149 HydrophobicContact CD1-CG 4.29Å; L118-L149 HydrophobicContact CD2-CD2 3.66Å; L144-L149 HydrophobicContact CB-CB 4.36Å; L144-L149 HydrophobicContact CB-CD2 4.19Å; L144-L149 HydrophobicContact CD1-CD2 4.37Å; L144-L149 HydrophobicContact CD2-CD2 4.15Å; L144-L149 HydrophobicContact CG-CD2 4.46Å; L144-L149 WeakPolarHBondContact O-CB 3.3Å; L144-L149 PolarHBondContact O-N 2.95Å; L149-F151 WeakPolarHBondContact O-CD2 3.47Å
150E88.2Confident77.8Confident176 Ų17681.2 Ų81.282%0.82242%0.421SS*.  trans-74.7136.5172.7-63.9-170.5151.100110.3L118 G148L118-E150 VanDerWaalsContact CD1-O 3.28Å; L118-E150 WeakPolarHBondContact CD1-O 3.27Å; G148-E150 PolarHBondContact O-N 3.44Å
151F90Very high75.4Confident34 Ų3486.1 Ų86.115%0.14945%0.453CS..  trans-106.6151.2174.5-76.9-105.9000109.8L118 I121 Q122 Y141 L144 R145 L149L118-F151 HydrophobicContact CB-CD1 3.73Å; L118-F151 HydrophobicContact CB-CE1 4.02Å; L118-F151 HydrophobicContact CB-CG 4.48Å; L118-F151 HydrophobicContact CD2-CD1 4.29Å; L118-F151 HydrophobicContact CD2-CE1 3.81Å; L118-F151 HydrophobicContact CD2-CZ 4.09Å; L118-F151 HydrophobicContact CG-CD1 4.4Å; L118-F151 HydrophobicContact CG-CE1 4.4Å; L118-F151 WeakPolarHBondContact O-CD1 3.46Å; I121-F151 HydrophobicContact CB-CE1 4.22Å; I121-F151 HydrophobicContact CG2-CE1 4.04Å; I121-F151 HydrophobicContact CG2-CZ 4.39Å; Q122-F151 HydrophobicContact CB-CD1 4.01Å; Y141-F151 HydrophobicContact CD2-CD1 4.02Å; Y141-F151 AromaticContact CD2-CE1 3.55Å; Y141-F151 HydrophobicContact CD2-CE1 3.55Å; Y141-F151 HydrophobicContact CD2-CE2 4.09Å; Y141-F151 HydrophobicContact CD2-CG 4.49Å; Y141-F151 AromaticContact CD2-CZ 3.58Å; Y141-F151 HydrophobicContact CD2-CZ 3.58Å; Y141-F151 AromaticContact CE2-CD1 3.74Å; Y141-F151 HydrophobicContact CE2-CD1 3.74Å; Y141-F151 HydrophobicContact CE2-CD2 4.11Å; Y141-F151 AromaticContact CE2-CE1 3.77Å; Y141-F151 HydrophobicContact CE2-CE1 3.77Å; Y141-F151 HydrophobicContact CE2-CE2 4.14Å; Y141-F151 AromaticContact CE2-CG 3.92Å; Y141-F151 HydrophobicContact CE2-CG 3.92Å; Y141-F151 AromaticContact CE2-CZ 3.98Å; Y141-F151 HydrophobicContact CE2-CZ 3.98Å; L144-F151 HydrophobicContact CB-CE2 3.89Å; L144-F151 HydrophobicContact CB-CZ 3.86Å; L144-F151 HydrophobicContact CD1-CZ 3.93Å; R145-F151 HydrophobicContact CG-CD2 3.87Å; R145-F151 HydrophobicContact CG-CE2 3.73Å; L149-F151 WeakPolarHBondContact O-CD2 3.47Å
152P82.9Confident72.9Confident46 Ų4691.5 Ų91.530%0.29948%0.481SS..  trans-60.4152173.826.9-34.5000111L118 Q122 T154L118-P152 HydrophobicContact CB-CG 4.49Å; Q122-P152 PolarHBondContact NE2-O 3.41Å; P152-T154 PolarHBondContact O-N 3.16Å
153M73.6Confident70.3Confident184 Ų18497.5 Ų97.591%0.90651%0.509SS*.  trans-56.1135.9168.7-68.3178.217300109.2D155M153-D155 PolarHBondContact O-N 3.38Å; M153-D155 VanDerWaalsContact O-N 3.1Å
154T62.8Low67.9Low58 Ų58101.4 Ų101.436%0.35653%0.534SS..  trans-60.8115.9179.2-57.10000109.6Q122 P152 L156 L159Q122-T154 PolarHBondContact NE2-OG1 3.3Å; P152-T154 PolarHBondContact O-N 3.16Å; T154-L156 PolarHBondContact O-N 2.85Å; T154-L159 HydrophobicContact CG2-CD1 3.75Å; T154-L159 HydrophobicContact CG2-CG 4.48Å
155D53.3Low65.4Low100 Ų100106.6 Ų106.654%0.53557%0.569SS.*  trans-70.9107.2170.6-171.51.3000108.7M153 D157 A158M153-D155 PolarHBondContact O-N 3.38Å; M153-D155 VanDerWaalsContact O-N 3.1Å; D155-D157 VanDerWaalsContact C-N 3.25Å; D155-D157 PolarHBondContact O-N 2.93Å; D155-D157 PolarHBondContact OD1-N 3.11Å; D155-A158 HydrophobicContact CB-CB 4.47Å; D155-A158 WeakPolarHBondContact O-CB 3.49Å; D155-A158 PolarHBondContact O-N 3.36Å
156L51Low62.7Low135 Ų135108.7 Ų108.771%0.70759%0.588SS**G310 helixtrans-66.6-28.5-174.6-70.7168.6000111.8T154 A158 L159T154-L156 PolarHBondContact O-N 2.85Å; L156-A158 PolarHBondContact O-N 3.24Å; L156-L159 PolarHBondContact O-N 2.92Å; L156-L159 VanDerWaalsContact O-N 3.11Å
157D53.7Low59.9Low131 Ų131110.8 Ų110.870%0.70160%0.596SS**G310 helixtrans-61.8-32.9177.5-75.9-9.2000111.5D155 L159 S160D155-D157 VanDerWaalsContact C-N 3.25Å; D155-D157 PolarHBondContact O-N 2.93Å; D155-D157 PolarHBondContact OD1-N 3.11Å; D157-L159 PolarHBondContact O-N 3.1Å; D157-S160 PolarHBondContact O-N 3.43Å; D157-S160 PolarHBondContact O-OG 3.39Å
158A53.6Low57.5Low48 Ų48111.5 Ų111.540%0.39762%0.617SS.*G310 helixtrans-70.9-12.5179.500000114.2K79 D155 L156K79-A158 PolarHBondContact NZ-O 2.97Å; D155-A158 HydrophobicContact CB-CB 4.47Å; D155-A158 WeakPolarHBondContact O-CB 3.49Å; D155-A158 PolarHBondContact O-N 3.36Å; L156-A158 PolarHBondContact O-N 3.24Å
159L53.1Low55.2Low84 Ų84114.1 Ų114.144%0.4462%0.615SS.*G310 helixtrans-99.26.2179.1-63.9177.6000113.8T154 L156 D157 P161T154-L159 HydrophobicContact CG2-CD1 3.75Å; T154-L159 HydrophobicContact CG2-CG 4.48Å; L156-L159 PolarHBondContact O-N 2.92Å; L156-L159 VanDerWaalsContact O-N 3.11Å; D157-L159 PolarHBondContact O-N 3.1Å; L159-P161 WeakPolarHBondContact O-CD 3.39Å; L159-P161 VanDerWaalsContact O-N 3.16Å
160S38.7Very low52.7Low86 Ų86118.2 Ų118.260%0.60164%0.644SS**  trans-43.7116.5178.6-69.70000112.9D157D157-S160 PolarHBondContact O-N 3.43Å; D157-S160 PolarHBondContact O-OG 3.39Å
161P44.8Very low50.2Low104 Ų104119 Ų11968%0.67565%0.648SS**  trans-60.6138.4179.7-25.735000112.6L159 H163L159-P161 WeakPolarHBondContact O-CD 3.39Å; L159-P161 VanDerWaalsContact O-N 3.16Å; P161-H163 PolarHBondContact O-N 3.49Å
162I44.3Very low47.7Very low130 Ų130124.2 Ų124.267%0.66768%0.677SS**  trans-66.695.6179.1-60.5174.3000109.7T164I162-T164 HydrophobicContact CG2-CG2 3.75Å; I162-T164 PolarHBondContact O-N 3.27Å
163H41.9Very low45.3Very low180 Ų180128.6 Ų128.683%0.83370%0.698SS**  trans-76.767166.7-82.498.4000110.7P161 P165P161-H163 PolarHBondContact O-N 3.49Å; H163-P165 WeakPolarHBondContact O-CD 3.41Å
164T44.2Very low43.3Very low110 Ų110124.1 Ų124.168%0.67569%0.685SS**PPolyproline II helixtrans-71.3119159.338.80000108.7I162I162-T164 HydrophobicContact CG2-CG2 3.75Å; I162-T164 PolarHBondContact O-N 3.27Å
165P40.7Very low41.9Very low121 Ų121126.3 Ų126.379%0.78670%0.702SS**PPolyproline II helixtrans-61.9144.5174.526.1-33.6000110.4H163 R167H163-P165 WeakPolarHBondContact O-CD 3.41Å; P165-R167 PolarHBondContact O-N 3.02Å
166L37.3Very low40.9Very low170 Ų170128.3 Ų128.389%0.8972%0.718SS**PPolyproline II helixtrans-56.2133.9-178.1-75.9166.2000111.6S168L166-S168 PolarHBondContact O-N 3.25Å
167R36.3Very low40.1Very low226 Ų226127.9 Ų127.985%0.85372%0.721SS**  trans-65.4102.6-178.9-159.2-173.4-149.1169.57.5110.3P165 I169P165-R167 PolarHBondContact O-N 3.02Å; R167-I169 HydrophobicContact CG-CD1 4.32Å; R167-I169 HydrophobicContact CG-CG1 4.37Å; R167-I169 PolarHBondContact O-N 3.11Å
168S41.2Very low39.2Very low118 Ų118128 Ų12883%0.82573%0.727SS**  trans-79.581179.1410000112.1L166L166-S168 PolarHBondContact O-N 3.25Å
169I37.1Very low38.4Very low117 Ų117131.1 Ų131.160%0.674%0.743SS**  trans-123.5120.8164.1-50.8175.9000107.5R167 E171R167-I169 HydrophobicContact CG-CD1 4.32Å; R167-I169 HydrophobicContact CG-CG1 4.37Å; R167-I169 PolarHBondContact O-N 3.11Å; I169-E171 PolarHBondContact O-N 3.09Å
170P38.8Very low37.5Very low124 Ų124131.5 Ų131.581%0.80576%0.758SS**  trans-77.8109.11721.814.6000109.2N172P170-N172 PolarHBondContact O-N 3.35Å
171E35.8Very low37.7Very low194 Ų194133 Ų13391%0.90777%0.766SS**  trans-75.5115.7165-73.6-174.6111.900109.5I169I169-E171 PolarHBondContact O-N 3.09Å
172N37.1Very low37.7Very low142 Ų142134 Ų13476%0.75977%0.772SS**  trans-100.5105.7173.717097.2000109P170P170-N172 PolarHBondContact O-N 3.35Å
173D31.6Very low37.7Very low138 Ų138133.5 Ų133.574%0.73878%0.777SS**  trans-164148.9131.6-130.4-40000116.3
174S31.7Very low37.3Very low90 Ų90134 Ų13463%0.62978%0.78SS**  trans50.591.1144.6-70.10000122.6
175S32.9Very low36.8Very low104 Ų104133 Ų13373%0.72778%0.778SS**  40.1107.3119.963.40000121.6
176V33.9Very low36.4Very low143 Ų143135.4 Ų135.487%0.86778%0.778SS**  trans-136.5131.6138.6-179.50000110.1
177T33.6Very low36Very low126 Ų126134.8 Ų134.877%0.77377%0.774SS**  trans-87.2133.2-177.1-52.80000112.4
178V35.3Very low36.5Very low134 Ų134129 Ų12981%0.81277%0.766SS**  trans-136.9134.6155.9-175.70000109.4
179P36.9Very low36Very low113 Ų113134.9 Ų134.973%0.73477%0.77SS**PPolyproline II helixtrans-91.7150-168.3-1.222000114.1
180A34.4Very low35.7Very low92 Ų92132.6 Ų132.676%0.7678%0.775SS**PPolyproline II helixtrans-86.6152.617100000112.9
181P41.7Very low36.1Very low118 Ų118132.7 Ų132.777%0.76678%0.776SS**PPolyproline II helixtrans-87.3146.4159.234.2-30.4000111.5
182P44.8Very low35.8Very low124 Ų124127.9 Ų127.981%0.80577%0.769SS**PPolyproline II helixtrans-90.9159.7-17335.5-36.5000114.7
183P44.8Very low35.5Very low119 Ų119125.6 Ų125.677%0.77377%0.77SS**PPolyproline II helixtrans-97.4151.7172.937.6-33.4000113.5
184Q34.4Very low35.5Very low191 Ų191124.8 Ų124.889%0.89378%0.775SS**  trans-176.9152.6162.9-103.1162.829.500109.2
185S32.5Very low35.5Very low90 Ų90125.7 Ų125.763%0.62978%0.781SS**  cis-176.4149.7-26.4-105.20000110.3
186Q32.3Very low36.2Very low170 Ų170125.6 Ų125.679%0.79478%0.778SS**  trans69.7112.7157.5-61.8163.69.200118.8
187I29.5Very low36Very low157 Ų157125.6 Ų125.681%0.80578%0.778SS**  66.914567.1-59166.6000112.9
188P46.1Very low36Very low104 Ų104128 Ų12868%0.67578%0.781SS**  cis-132.6172-13.334-15.3000116.5
189R32.1Very low35.8Very low243 Ų243126.1 Ų126.192%0.91778%0.78SS**  164.6136.4123.7-90.7172.7-172.9-178.43.9112.2
190G30.1Very low35.5Very low68 Ų68125.6 Ų125.670%0.70179%0.785SS**  trans-103.4-153.1163.500000111.2
191P46.3Very low35.5Very low127 Ų127129.3 Ų129.383%0.82579%0.791SS**  cis-136.7179.2-14.141.7-25.5000114.8
192A29.6Very low35.1Very low92 Ų92130.6 Ų130.676%0.7680%0.797SS**  trans75.9138147.600000123.6
193A30.3Very low34.7Very low94 Ų94129.4 Ų129.478%0.77780%0.797SS**  trans62.1124.9152.300000119.1
194S31.8Very low34.2Very low122 Ų122130.2 Ų130.285%0.85380%0.8SS**  -174.716351.136.90000112
195S31.6Very low34.8Very low108 Ų108126.5 Ų126.576%0.75579%0.792SS**  trans-91.7-169.617658.20000111.1
196P47.8Very low35.5Very low103 Ų103128.1 Ų128.167%0.66980%0.801SS**  cis-133.3-177.9-8.442.2-26.2000113.9
197T31Very low35.6Very low142 Ų142128.7 Ų128.787%0.87180%0.803SS**  trans-152.1144.5141.4-63.80000109.8
198Q33.6Very low36.5Very low177 Ų177129.9 Ų129.983%0.82781%0.81SS**  trans-96.8143.3-167.6-65.3171.9-11.600113.5
199A30.8Very low36.1Very low95 Ų95129.9 Ų129.979%0.78581%0.813SS**  52.1124.8129.800000121.8
200A31.3Very low36.9Very low101 Ų101126 Ų12684%0.83581%0.81SS**  trans-139.2122138.100000108.9
201L32.7Very low37.9Very low170 Ų170124.5 Ų124.589%0.8980%0.795SS**  trans-84.7138.4176.6-70.7160000109.8
202T33.7Very low38Very low146 Ų146122.4 Ų122.490%0.89678%0.781SS**  trans-143.8112.4154.41.30000109
203A36.2Very low39.5Very low98 Ų98122.9 Ų122.981%0.8177%0.77SS**  trans-110.7123.8177.600000109.5
204V34Very low40.7Very low137 Ų137122.7 Ų122.783%0.8377%0.768SS**  trans-139.8141.5164.6177.40000106.4
205P47.6Very low42.3Very low112 Ų112119.7 Ų119.773%0.72774%0.742SS**  trans-101.6-170-14744.8-40.1000113
206P47.5Very low44.3Very low125 Ų125116.8 Ų116.881%0.81272%0.722SS**  trans-75.6137-140.931.8-36.9000114.5
207Q33.9Very low45.4Very low181 Ų181117.1 Ų117.185%0.84672%0.724SS**  trans-95.5126.2157.5-77.9-84.5-89.100108.7S209Q207-S209 PolarHBondContact O-N 3.25Å; Q207-S209 VanDerWaalsContact O-N 3.12Å
208L48.9Very low47.6Very low182 Ų182118 Ų11895%0.95372%0.718SS**  trans-63.2107.6168.1-73.4154.6000107.9
209S37.9Very low49.8Very low105 Ų105114.7 Ų114.773%0.73470%0.703SS**  trans-117.894.4177.6-164.60000108.6Q207 G211Q207-S209 PolarHBondContact O-N 3.25Å; Q207-S209 VanDerWaalsContact O-N 3.12Å; S209-G211 PolarHBondContact O-N 2.82Å
210D48.1Very low52.1Low161 Ų161110.6 Ų110.686%0.86167%0.669SS**  trans-83.867-177.7-145.211.6000109.5
211G51.1Low54.7Low36 Ų36111.3 Ų111.337%0.37166%0.655SS.*SBendtrans-136.1154.9-178.400000111.5S209 I213S209-G211 PolarHBondContact O-N 2.82Å; G211-I213 PolarHBondContact O-N 3.36Å
212P49.3Very low57.2Low84 Ų84109.7 Ų109.755%0.54564%0.641SS.*  trans-61.5124.6-172.7-22.934.1000112.1L279P212-L279 HydrophobicContact CB-CD1 3.92Å; P212-L279 HydrophobicContact CB-CD2 3.59Å; P212-L279 HydrophobicContact CB-CG 3.7Å; P212-L279 HydrophobicContact CG-CD2 4.24Å
213I59.9Low59.8Low101 Ų101103.6 Ų103.652%0.51860%0.603SS.*  trans-91.2125.8-177.3-63.7174.8000108.5G211 I215 R277G211-I213 PolarHBondContact O-N 3.36Å; I213-I215 PolarHBondContact O-N 3.44Å; I213-R277 PolarHBondContact N-O 3.5Å
214A55.7Low62.3Low90 Ų90103 Ų10374%0.74458%0.58SS**  trans-66.997.7164.800000109.1S216A214-S216 PolarHBondContact O-N 2.92Å
215I65.2Low65Low59 Ų59100.7 Ų100.730%0.30357%0.566SS.*  trans-60.6129.9-177.3-66.6-90.7000109.9I213 Q219 A220 L278I213-I215 PolarHBondContact O-N 3.44Å; I215-Q219 HydrophobicContact CG2-CB 3.74Å; I215-A220 HydrophobicContact CG2-CB 3.89Å; I215-L278 HydrophobicContact CD1-CD2 3.47Å; I215-L278 VanDerWaalsContact CD1-CD2 3.47Å; I215-L278 HydrophobicContact CG1-CD2 3.45Å; I215-L278 VanDerWaalsContact CG1-CD2 3.45Å
216S75.1Confident66.9Low47 Ų4797.7 Ų97.733%0.32954%0.543SS..  trans-64.1143.2172.2173.70000110.4A214 E218 Q219 A220A214-S216 PolarHBondContact O-N 2.92Å; S216-E218 PolarHBondContact O-N 3.05Å; S216-Q219 WeakPolarHBondContact O-CA 3.37Å; S216-Q219 WeakPolarHBondContact O-CB 3.32Å; S216-Q219 PolarHBondContact O-N 3.4Å; S216-A220 PolarHBondContact O-N 3.06Å
217P70.8Confident69Low110 Ų11091.9 Ų91.971%0.71451%0.506SS*.Hα-helixtrans-54.9-28.8179.220.7-33.5000113.9Q221P217-Q221 PolarHBondContact O-N 3.35Å
218E76Confident71.8Confident162 Ų16286.1 Ų86.176%0.75749%0.489SS*.Hα-helixtrans-68.6-37.7173.6-62.6-177161.500112.8S216 Q221 K222S216-E218 PolarHBondContact O-N 3.05Å; E218-Q221 PolarHBondContact O-N 3.24Å; E218-K222 PolarHBondContact O-N 3.37Å
219Q80.1Confident73.9Confident106 Ų10682.3 Ų82.350%0.49547%0.469SS..Hα-helixtrans-70.9-38.5176-69.4171.1-38.700111.1I215 S216 K222 L223I215-Q219 HydrophobicContact CG2-CB 3.74Å; S216-Q219 WeakPolarHBondContact O-CA 3.37Å; S216-Q219 WeakPolarHBondContact O-CB 3.32Å; S216-Q219 PolarHBondContact O-N 3.4Å; Q219-K222 PolarHBondContact O-N 3.32Å; Q219-L223 WeakPolarHBondContact O-CB 3.43Å; Q219-L223 PolarHBondContact O-N 3.5Å
220A80.1Confident76.5Confident10 Ų1077.9 Ų77.98%0.08344%0.437CS..Hα-helixtrans-61.1-42.8172.300000111.8I215 S216 L223 R224 L283I215-A220 HydrophobicContact CG2-CB 3.89Å; S216-A220 PolarHBondContact O-N 3.06Å; A220-L223 PolarHBondContact O-N 3.37Å; A220-R224 PolarHBondContact O-N 3.43Å; A220-R224 VanDerWaalsContact O-N 3.09Å; A220-L283 HydrophobicContact CB-CD1 3.9Å
221Q84.3Confident78.7Confident116 Ų11674.2 Ų74.254%0.54241%0.411SS..Hα-helixtrans-65.8-40.7175.6-174.15924.500112.1P217 E218 L223 R224 V225P217-Q221 PolarHBondContact O-N 3.35Å; E218-Q221 PolarHBondContact O-N 3.24Å; Q221-L223 VanDerWaalsContact C-N 3.35Å; Q221-R224 PolarHBondContact O-N 2.94Å; Q221-V225 PolarHBondContact O-N 3.03Å
222K86.7Confident80.7Confident136 Ų13674.2 Ų74.259%0.59141%0.411SS*.Hα-helixtrans-60.9-43.4173.5-174-175.8175.3-172.80111.6E218 Q219 R224 V225 D226E218-K222 PolarHBondContact O-N 3.37Å; Q219-K222 PolarHBondContact O-N 3.32Å; K222-R224 VanDerWaalsContact C-N 3.31Å; K222-R224 PolarHBondContact O-N 2.93Å; K222-V225 WeakPolarHBondContact O-CB 3.39Å; K222-V225 PolarHBondContact O-N 3.31Å; K222-V225 VanDerWaalsContact O-N 3.1Å; K222-D226 PolarHBondContact O-N 3.46Å
223L87.4Confident82.8Confident18 Ų1871.9 Ų71.99%0.09439%0.394CS..Hα-helixtrans-60.9-39178.2-179.158.8000112.1Q219 A220 Q221 V225 D226 L227 L274 L278 L283 L287Q219-L223 WeakPolarHBondContact O-CB 3.43Å; Q219-L223 PolarHBondContact O-N 3.5Å; A220-L223 PolarHBondContact O-N 3.37Å; Q221-L223 VanDerWaalsContact C-N 3.35Å; L223-V225 VanDerWaalsContact C-N 3.33Å; L223-V225 PolarHBondContact O-N 2.81Å; L223-D226 PolarHBondContact O-N 2.94Å; L223-L227 HydrophobicContact CD1-CG 4.43Å; L223-L227 HydrophobicContact CG-CD1 4.24Å; L223-L227 WeakPolarHBondContact O-CB 3.37Å; L223-L227 WeakPolarHBondContact O-CG 3.48Å; L223-L227 PolarHBondContact O-N 3.23Å; L223-L274 HydrophobicContact CD1-CD1 3.74Å; L223-L278 HydrophobicContact CD2-CD1 4.05Å; L223-L278 HydrophobicContact CD2-CD2 4.39Å; L223-L283 HydrophobicContact CD2-CD1 4.28Å; L223-L283 HydrophobicContact CD2-CD2 4.32Å; L223-L287 HydrophobicContact CD2-CD1 4.3Å
224R88.4Confident84.5Confident86 Ų8667.7 Ų67.733%0.32537%0.372SS..Hα-helixtrans-64.4-35173.7-70.8-175.6175.697.23.7113A220 Q221 K222 A228 D280 L283 E286A220-R224 PolarHBondContact O-N 3.43Å; A220-R224 VanDerWaalsContact O-N 3.09Å; Q221-R224 PolarHBondContact O-N 2.94Å; K222-R224 VanDerWaalsContact C-N 3.31Å; K222-R224 PolarHBondContact O-N 2.93Å; R224-A228 WeakPolarHBondContact O-CB 3.3Å; R224-A228 PolarHBondContact O-N 2.82Å; R224-D280 IonicContact NH2-OD2 3.34Å; R224-L283 HydrophobicContact CG-CD2 3.81Å; R224-E286 IonicContact NE-OE1 2.73Å; R224-E286 PolarHBondContact NE-OE1 2.98Å
225V90.1Very high86.3Confident88 Ų8867.8 Ų67.853%0.53336%0.364SS..Hα-helixtrans-69.4-44.8173.2175.30000111.3Q221 K222 L223 L227 A228 L229Q221-V225 PolarHBondContact O-N 3.03Å; K222-V225 WeakPolarHBondContact O-CB 3.39Å; K222-V225 PolarHBondContact O-N 3.31Å; K222-V225 VanDerWaalsContact O-N 3.1Å; L223-V225 VanDerWaalsContact C-N 3.33Å; L223-V225 PolarHBondContact O-N 2.81Å; V225-L227 VanDerWaalsContact C-N 3.33Å; V225-L227 PolarHBondContact O-N 3Å; V225-A228 PolarHBondContact O-N 2.8Å; V225-L229 PolarHBondContact O-N 3.36Å; V225-L229 VanDerWaalsContact O-N 3.09Å
226D89.1Confident87.7Confident49 Ų4968.7 Ų68.726%0.26237%0.372SS..Hα-helixtrans-60.7-42.5175-7814.3000110.4K222 L223 L229 V230 R270K222-D226 PolarHBondContact O-N 3.46Å; L223-D226 PolarHBondContact O-N 2.94Å; D226-L229 WeakPolarHBondContact O-CB 3.44Å; D226-L229 PolarHBondContact O-N 3.11Å; D226-L229 VanDerWaalsContact O-N 3.16Å; D226-V230 WeakPolarHBondContact O-CG2 3.32Å; D226-V230 PolarHBondContact O-N 3.42Å; D226-R270 IonicContact OD2-NH2 2.69Å; D226-R270 PolarHBondContact OD2-NH2 3.05Å
227L91.7Very high88.6Confident3 Ų366.5 Ų66.52%0.01636%0.357CS..Hα-helixtrans-63.1-39.7174.9-81.6170.9000113.5L223 V225 L229 V230 R231 E286 L287 V290L223-L227 HydrophobicContact CD1-CG 4.43Å; L223-L227 HydrophobicContact CG-CD1 4.24Å; L223-L227 WeakPolarHBondContact O-CB 3.37Å; L223-L227 WeakPolarHBondContact O-CG 3.48Å; L223-L227 PolarHBondContact O-N 3.23Å; V225-L227 VanDerWaalsContact C-N 3.33Å; V225-L227 PolarHBondContact O-N 3Å; L227-L229 VanDerWaalsContact C-N 3.26Å; L227-L229 PolarHBondContact O-N 3.44Å; L227-V230 PolarHBondContact O-N 3.45Å; L227-V230 VanDerWaalsContact O-N 3.17Å; L227-R231 WeakPolarHBondContact O-CG 3.24Å; L227-R231 PolarHBondContact O-N 3.24Å; L227-E286 HydrophobicContact CD1-CB 4.23Å; L227-L287 HydrophobicContact CD1-CD2 4.32Å; L227-L287 HydrophobicContact CD1-CG 4.25Å; L227-L287 HydrophobicContact CD2-CD2 3.68Å; L227-L287 HydrophobicContact CD2-CG 4.3Å; L227-L287 HydrophobicContact CG-CD2 4.31Å; L227-V290 HydrophobicContact CD2-CB 4.2Å; L227-V290 HydrophobicContact CD2-CG1 4.12Å; L227-V290 HydrophobicContact CD2-CG2 4.15Å
228A91.8Very high89.7Confident60 Ų6062.9 Ų62.950%0.49633%0.333SS..Hα-helixtrans-62-36.1173.600000111.6R224 V225 G232R224-A228 WeakPolarHBondContact O-CB 3.3Å; R224-A228 PolarHBondContact O-N 2.82Å; V225-A228 PolarHBondContact O-N 2.8Å; A228-G232 PolarHBondContact O-N 2.71Å
229L92.9Very high90.5Very high102 Ų10259.5 Ų59.553%0.53432%0.317SS..Hα-helixtrans-66-41.8172-179.467000111.8V225 D226 L227 G232 N233 M267V225-L229 PolarHBondContact O-N 3.36Å; V225-L229 VanDerWaalsContact O-N 3.09Å; D226-L229 WeakPolarHBondContact O-CB 3.44Å; D226-L229 PolarHBondContact O-N 3.11Å; D226-L229 VanDerWaalsContact O-N 3.16Å; L227-L229 VanDerWaalsContact C-N 3.26Å; L227-L229 PolarHBondContact O-N 3.44Å; L229-G232 PolarHBondContact O-N 3.49Å; L229-N233 WeakPolarHBondContact CD1-ND2 3.4Å; L229-N233 PolarHBondContact O-N 3.25Å; L229-N233 PolarHBondContact O-ND2 3.49Å; L229-M267 HydrophobicContact CD2-CE 4.25Å; L229-M267 HydrophobicContact CG-CE 4.2Å
230V93.9Very high91Very high11 Ų1155.7 Ų55.77%0.06730%0.299CS..Hα-helixtrans-60-50.7174.8-176.70000110.8D226 L227 G232 N233 L234 M267 V290 L294D226-V230 WeakPolarHBondContact O-CG2 3.32Å; D226-V230 PolarHBondContact O-N 3.42Å; L227-V230 PolarHBondContact O-N 3.45Å; L227-V230 VanDerWaalsContact O-N 3.17Å; V230-G232 PolarHBondContact O-N 3.09Å; V230-N233 PolarHBondContact O-N 2.89Å; V230-L234 VanDerWaalsContact O-CB 3.28Å; V230-L234 WeakPolarHBondContact O-CB 3.34Å; V230-L234 PolarHBondContact O-N 3.14Å; V230-M267 HydrophobicContact CB-SD 4.23Å; V230-M267 HydrophobicContact CG1-CB 4.15Å; V230-M267 HydrophobicContact CG1-SD 4.28Å; V230-M267 HydrophobicContact CG2-CB 3.93Å; V230-M267 HydrophobicContact CG2-CG 3.97Å; V230-M267 HydrophobicContact CG2-SD 3.87Å; V230-V290 HydrophobicContact CB-CG1 4.07Å; V230-V290 HydrophobicContact CG1-CG1 3.43Å; V230-V290 VanDerWaalsContact CG1-CG1 3.43Å; V230-L294 HydrophobicContact CG1-CD1 3.74Å; V230-L294 HydrophobicContact CG1-CD2 4.2Å; V230-L294 HydrophobicContact CG1-CG 4.2Å
231R93.1Very high91.5Very high85 Ų8556.2 Ų56.232%0.32130%0.301SS..Hα-helixtrans-57.5-36176.2-70.5176.3-179.1146.46.4112.4L227 T235 E286 V290L227-R231 WeakPolarHBondContact O-CG 3.24Å; L227-R231 PolarHBondContact O-N 3.24Å; R231-T235 WeakPolarHBondContact O-CB 3.42Å; R231-T235 PolarHBondContact O-N 2.93Å; R231-T235 PolarHBondContact O-OG1 3.33Å; R231-E286 IonicContact CZ-OE2 3.67Å; R231-E286 VanDerWaalsContact CZ-OE2 3.28Å; R231-E286 IonicContact NH1-OE2 2.97Å; R231-E286 PolarHBondContact NH1-OE2 2.87Å; R231-E286 PolarHBondContact NH2-O 3.13Å; R231-E286 IonicContact NH2-OE2 3.63Å; R231-E286 PolarHBondContact NH2-OE2 3.44Å; R231-V290 HydrophobicContact CG-CG2 3.7Å; R231-V290 VanDerWaalsContact NE-CG2 3.26Å
232G94.2Very high91.8Very high35 Ų3555.4 Ų55.436%0.36130%0.3SS..Hα-helixtrans-64.6-51.1173.800000113.3A228 L229 V230 L234 T235 V236A228-G232 PolarHBondContact O-N 2.71Å; L229-G232 PolarHBondContact O-N 3.49Å; V230-G232 PolarHBondContact O-N 3.09Å; G232-L234 PolarHBondContact O-N 3.35Å; G232-T235 WeakPolarHBondContact O-CB 3.41Å; G232-T235 PolarHBondContact O-N 3.1Å; G232-V236 WeakPolarHBondContact O-CG2 3.21Å; G232-V236 PolarHBondContact O-N 3.28Å; G232-V236 VanDerWaalsContact O-N 3.09Å
233N93Very high91.9Very high36 Ų3655.3 Ų55.319%0.19330%0.302CS..Hα-helixtrans-63.3-42.5179.4-76.4-83.7000111.9L229 V230 T235 V236 M237 L260 M267L229-N233 WeakPolarHBondContact CD1-ND2 3.4Å; L229-N233 PolarHBondContact O-N 3.25Å; L229-N233 PolarHBondContact O-ND2 3.49Å; V230-N233 PolarHBondContact O-N 2.89Å; N233-T235 PolarHBondContact O-N 3.35Å; N233-V236 PolarHBondContact O-N 2.9Å; N233-M237 WeakPolarHBondContact O-CB 3.34Å; N233-M237 PolarHBondContact O-N 3.34Å; N233-L260 HydrophobicContact CB-CD1 3.93Å; N233-L260 WeakPolarHBondContact OD1-CD1 3.2Å; N233-M267 HydrophobicContact CB-SD 4.25Å
234L94.4Very high91.9Very high12 Ų1255.6 Ų55.66%0.06330%0.303CS..Hα-helixtrans-58.2-43.7173.1168.365.8000112.7V230 G232 M237 T238 D293 L294 A297V230-L234 VanDerWaalsContact O-CB 3.28Å; V230-L234 WeakPolarHBondContact O-CB 3.34Å; V230-L234 PolarHBondContact O-N 3.14Å; G232-L234 PolarHBondContact O-N 3.35Å; L234-M237 PolarHBondContact O-N 3.03Å; L234-T238 WeakPolarHBondContact O-CB 3.49Å; L234-T238 PolarHBondContact O-N 3.01Å; L234-T238 PolarHBondContact O-OG1 3Å; L234-D293 HydrophobicContact CD1-CB 4.45Å; L234-D293 HydrophobicContact CD2-CB 3.41Å; L234-D293 VanDerWaalsContact CD2-CB 3.41Å; L234-L294 HydrophobicContact CB-CD2 4.46Å; L234-L294 HydrophobicContact CD1-CD2 4.42Å; L234-A297 HydrophobicContact CD1-CB 3.53Å
235T94.9Very high91.6Very high93 Ų9355.8 Ų55.857%0.57131%0.314SS*.Hα-helixtrans-60.2-49.2175.9-59.90000110.8R231 G232 N233 M237 T238 E239R231-T235 WeakPolarHBondContact O-CB 3.42Å; R231-T235 PolarHBondContact O-N 2.93Å; R231-T235 PolarHBondContact O-OG1 3.33Å; G232-T235 WeakPolarHBondContact O-CB 3.41Å; G232-T235 PolarHBondContact O-N 3.1Å; N233-T235 PolarHBondContact O-N 3.35Å; T235-M237 VanDerWaalsContact C-N 3.33Å; T235-M237 PolarHBondContact O-N 3.5Å; T235-T238 PolarHBondContact O-N 2.87Å; T235-E239 WeakPolarHBondContact O-CB 3.46Å; T235-E239 PolarHBondContact O-N 3.35Å
236V94.9Very high91Very high78 Ų7853.1 Ų53.147%0.47330%0.299SS..Hα-helixtrans-61.7-41.7177.8177.70000111.1G232 N233 T238 E239 M240 L260G232-V236 WeakPolarHBondContact O-CG2 3.21Å; G232-V236 PolarHBondContact O-N 3.28Å; G232-V236 VanDerWaalsContact O-N 3.09Å; N233-V236 PolarHBondContact O-N 2.9Å; V236-T238 PolarHBondContact O-N 3.42Å; V236-E239 PolarHBondContact O-N 3.44Å; V236-M240 HydrophobicContact CG1-CG 4.47Å; V236-M240 HydrophobicContact CG1-SD 4.38Å; V236-M240 WeakPolarHBondContact O-CG 3.35Å; V236-M240 PolarHBondContact O-N 2.93Å; V236-L260 HydrophobicContact CB-CD2 4.01Å; V236-L260 HydrophobicContact CG1-CD2 3.69Å
237M93.1Very high90.2Very high0 Ų051.9 Ų51.90%030%0.297CS..Hα-helixtrans-64-42.3179.1-170.4-177.7154.700112N233 L234 T235 L241 L257 L260 Y261 C264 A297 F298 Y301N233-M237 WeakPolarHBondContact O-CB 3.34Å; N233-M237 PolarHBondContact O-N 3.34Å; L234-M237 PolarHBondContact O-N 3.03Å; T235-M237 VanDerWaalsContact C-N 3.33Å; T235-M237 PolarHBondContact O-N 3.5Å; M237-L241 HydrophobicContact CE-CD1 4.1Å; M237-L241 HydrophobicContact CG-CD1 4.33Å; M237-L241 WeakPolarHBondContact O-CB 3.21Å; M237-L241 VanDerWaalsContact O-CG 3.28Å; M237-L241 WeakPolarHBondContact O-CG 3.24Å; M237-L241 PolarHBondContact O-N 2.85Å; M237-L257 HydrophobicContact CG-CD1 4.11Å; M237-L260 HydrophobicContact CB-CD2 3.69Å; M237-L260 HydrophobicContact CB-CG 3.89Å; M237-L260 HydrophobicContact CG-CD2 4.35Å; M237-L260 HydrophobicContact CG-CG 4.26Å; M237-Y261 HydrophobicContact CE-CD2 3.71Å; M237-Y261 HydrophobicContact CE-CG 4.48Å; M237-C264 HydrophobicContact SD-CB 3.99Å; M237-A297 HydrophobicContact CE-CB 4.25Å; M237-A297 HydrophobicContact SD-CB 4.47Å; M237-F298 HydrophobicContact CE-CD1 4.16Å; M237-Y301 HydrophobicContact CE-CD2 4.35Å; M237-Y301 HydrophobicContact CE-CG 4.21Å
238T92.9Very high89.4Confident34 Ų3459.5 Ų59.521%0.20933%0.333CS..Hα-helixtrans-66.6-41.5177.4-56.10000110.8L234 T235 V236 L241 N242L234-T238 WeakPolarHBondContact O-CB 3.49Å; L234-T238 PolarHBondContact O-N 3.01Å; L234-T238 PolarHBondContact O-OG1 3Å; T235-T238 PolarHBondContact O-N 2.87Å; V236-T238 PolarHBondContact O-N 3.42Å; T238-L241 PolarHBondContact O-N 3.37Å; T238-N242 PolarHBondContact O-N 3.31Å; T238-N242 PolarHBondContact O-ND2 2.69Å; T238-N242 PolarHBondContact O-OD1 3.37Å
239E93.6Very high88.8Confident91 Ų9157.3 Ų57.343%0.42531%0.314SS..Hα-helixtrans-67-41.6178.1-173.856.9-16300112.3T235 V236 L241 N242 Q243T235-E239 WeakPolarHBondContact O-CB 3.46Å; T235-E239 PolarHBondContact O-N 3.35Å; V236-E239 PolarHBondContact O-N 3.44Å; E239-L241 VanDerWaalsContact C-N 3.33Å; E239-L241 PolarHBondContact O-N 3.23Å; E239-N242 WeakPolarHBondContact O-CB 3.5Å; E239-N242 PolarHBondContact O-N 3.01Å; E239-N242 VanDerWaalsContact O-N 3.14Å; E239-Q243 WeakPolarHBondContact O-CG 3.35Å; E239-Q243 PolarHBondContact O-N 3.02Å; E239-Q243 PolarHBondContact OE1-NE2 3.3Å
240M91.4Very high88.2Confident27 Ų2758.9 Ų58.913%0.13332%0.318CS..Hα-helixtrans-59.9-41.7170.7-72.5-173.875.600111.9V236 N242 Q243 L244 D253 L256 L257 L260V236-M240 HydrophobicContact CG1-CG 4.47Å; V236-M240 HydrophobicContact CG1-SD 4.38Å; V236-M240 WeakPolarHBondContact O-CG 3.35Å; V236-M240 PolarHBondContact O-N 2.93Å; M240-N242 VanDerWaalsContact C-N 3.27Å; M240-N242 PolarHBondContact O-N 3.11Å; M240-Q243 PolarHBondContact O-N 3.36Å; M240-L244 HydrophobicContact CB-CD1 4.31Å; M240-L244 HydrophobicContact CE-CD1 4.18Å; M240-L244 VanDerWaalsContact O-CB 3.28Å; M240-L244 WeakPolarHBondContact O-CB 3.3Å; M240-L244 WeakPolarHBondContact O-CG 3.4Å; M240-L244 PolarHBondContact O-N 3.04Å; M240-D253 WeakPolarHBondContact CE-O 3.38Å; M240-L256 HydrophobicContact CE-CB 4.03Å; M240-L256 HydrophobicContact CE-CD2 3.77Å; M240-L256 HydrophobicContact CE-CG 3.8Å; M240-L256 HydrophobicContact SD-CD2 4.09Å; M240-L256 HydrophobicContact SD-CG 4.08Å; M240-L257 HydrophobicContact CB-CD1 3.89Å; M240-L257 HydrophobicContact CE-CB 3.98Å; M240-L260 HydrophobicContact SD-CD2 4.2Å
241L90.6Very high87.5Confident20 Ų2062.9 Ų62.911%0.10534%0.336CS..Hα-helixtrans-66.1-26.3175.4-74.7166.3000113.7M237 T238 E239 L257 R300 Y301 F304M237-L241 HydrophobicContact CE-CD1 4.1Å; M237-L241 HydrophobicContact CG-CD1 4.33Å; M237-L241 WeakPolarHBondContact O-CB 3.21Å; M237-L241 VanDerWaalsContact O-CG 3.28Å; M237-L241 WeakPolarHBondContact O-CG 3.24Å; M237-L241 PolarHBondContact O-N 2.85Å; T238-L241 PolarHBondContact O-N 3.37Å; E239-L241 VanDerWaalsContact C-N 3.33Å; E239-L241 PolarHBondContact O-N 3.23Å; L241-L257 HydrophobicContact CD2-CD1 4.29Å; L241-L257 HydrophobicContact CD2-CD2 3.84Å; L241-L257 HydrophobicContact CG-CD1 4.04Å; L241-L257 HydrophobicContact CG-CD2 4.45Å; L241-R300 HydrophobicContact CD1-CB 3.99Å; L241-Y301 HydrophobicContact CD2-CD2 4.45Å; L241-F304 HydrophobicContact CD2-CB 3.84Å; L241-F304 HydrophobicContact CD2-CD1 4.41Å; L241-F304 HydrophobicContact CD2-CG 4.02Å
242N90.1Very high87.2Confident99 Ų9966.1 Ų66.153%0.52936%0.355SS..Hα-helixtrans-78.3-36.2175.1-64-25.7000111.9T238 E239 M240T238-N242 PolarHBondContact O-N 3.31Å; T238-N242 PolarHBondContact O-ND2 2.69Å; T238-N242 PolarHBondContact O-OD1 3.37Å; E239-N242 WeakPolarHBondContact O-CB 3.5Å; E239-N242 PolarHBondContact O-N 3.01Å; E239-N242 VanDerWaalsContact O-N 3.14Å; M240-N242 VanDerWaalsContact C-N 3.27Å; M240-N242 PolarHBondContact O-N 3.11Å
243Q88.1Confident86.8Confident135 Ų13566.8 Ų66.863%0.63135%0.35SS*.Hα-helixtrans-83.5-31.9-178-66.7-177.323.400113.3E239 M240E239-Q243 WeakPolarHBondContact O-CG 3.35Å; E239-Q243 PolarHBondContact O-N 3.02Å; E239-Q243 PolarHBondContact OE1-NE2 3.3Å; M240-Q243 PolarHBondContact O-N 3.36Å
244L86.8Confident86.5Confident24 Ų2465.9 Ų65.913%0.12635%0.347CS..PPolyproline II helixtrans-83.7120.7-175.3-65.8171.2000112M240 D253 L257 F304M240-L244 HydrophobicContact CB-CD1 4.31Å; M240-L244 HydrophobicContact CE-CD1 4.18Å; M240-L244 VanDerWaalsContact O-CB 3.28Å; M240-L244 WeakPolarHBondContact O-CB 3.3Å; M240-L244 WeakPolarHBondContact O-CG 3.4Å; M240-L244 PolarHBondContact O-N 3.04Å; L244-D253 HydrophobicContact CD1-CB 4.07Å; L244-D253 HydrophobicContact CD2-CB 3.62Å; L244-L257 HydrophobicContact CD1-CB 4.39Å; L244-L257 HydrophobicContact CD1-CD2 4.01Å; L244-F304 HydrophobicContact CB-CE2 3.77Å; L244-F304 HydrophobicContact CB-CZ 3.9Å; L244-F304 WeakPolarHBondContact O-CE2 3.26Å
245T82.3Confident86.3Confident89 Ų8969.4 Ų69.455%0.54636%0.363SS..PPolyproline II helixtrans-85.7128.9171.5-58.40000110.1Q248 S249T245-Q248 PolarHBondContact O-N 2.88Å; T245-S249 PolarHBondContact O-N 3.2Å
246P78.5Confident86.1Confident33 Ų3369.3 Ų69.321%0.21436%0.359CS..THydrogen-bonded Turntrans-51.5141.1174-26.433.6000112.3Q248 F304 L307 Q311P246-Q248 PolarHBondContact O-N 3.39Å; P246-F304 HydrophobicContact CB-CD2 4.49Å; P246-F304 HydrophobicContact CB-CE2 4.47Å; P246-F304 HydrophobicContact CG-CD2 3.77Å; P246-F304 HydrophobicContact CG-CE2 4.05Å; P246-L307 HydrophobicContact CB-CB 3.76Å; P246-L307 HydrophobicContact CG-CB 4.12Å; P246-L307 HydrophobicContact CG-CD1 4.28Å; P246-Q311 PolarHBondContact O-OE1 3.12Å
247G72.9Confident86Confident23 Ų2365.6 Ų65.624%0.23734%0.336CS..THydrogen-bonded Turntrans72.1-10.4177.200000115.6N308G247-N308 WeakPolarHBondContact CA-OD1 3.46Å; G247-N308 PolarHBondContact N-OD1 3.09Å
248Q74.8Confident86Confident162 Ų16271.2 Ų71.276%0.75736%0.362SS*.THydrogen-bonded Turntrans-117.1-1.6176.8-61.3-61.4-49.500113T245 P246T245-Q248 PolarHBondContact O-N 2.88Å; P246-Q248 PolarHBondContact O-N 3.39Å
249S78.3Confident86.1Confident14 Ų1475.4 Ų75.410%0.09838%0.38CS..  trans-66.4138.4177.762.30000112T245 S254 N308T245-S249 PolarHBondContact O-N 3.2Å; S249-S254 PolarHBondContact OG-OG 3.24Å; S249-N308 PolarHBondContact OG-ND2 3.35Å
250Q79.9Confident86.1Confident135 Ų13571.8 Ų71.863%0.63136%0.363SS*.  trans-65155.9173.4-50.5-166.2-96.900109.7E252 D253 S254Q250-E252 VanDerWaalsContact C-N 3.29Å; Q250-E252 PolarHBondContact O-N 3.01Å; Q250-D253 VanDerWaalsContact CB-OD2 3.32Å; Q250-D253 WeakPolarHBondContact CB-OD2 3.36Å; Q250-D253 PolarHBondContact O-N 3.15Å; Q250-S254 WeakPolarHBondContact O-CB 3.35Å; Q250-S254 PolarHBondContact O-N 3.17Å; Q250-S254 VanDerWaalsContact O-N 3.11Å; Q250-S254 PolarHBondContact O-OG 3.26Å
251Q80.7Confident86.2Confident95 Ų9572.2 Ų72.244%0.44436%0.364SS..Hα-helixtrans-61.8-41.2-179.2-177.562.118.600111.1S254 E255Q251-S254 WeakPolarHBondContact O-CB 3.39Å; Q251-S254 PolarHBondContact O-N 3.07Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.28Å; Q251-E255 PolarHBondContact NE2-OE1 3.04Å; Q251-E255 WeakPolarHBondContact O-CG 3.19Å; Q251-E255 PolarHBondContact O-N 3.13Å
252E85.2Confident86.4Confident153 Ų15376 Ų7672%0.71538%0.381SS*.Hα-helixtrans-61.3-47.7178.7-62.4174.6-158.900112Q250 S254 E255 L256Q250-E252 VanDerWaalsContact C-N 3.29Å; Q250-E252 PolarHBondContact O-N 3.01Å; E252-S254 VanDerWaalsContact C-N 3.28Å; E252-S254 PolarHBondContact O-N 3.25Å; E252-E255 PolarHBondContact O-N 3Å; E252-L256 WeakPolarHBondContact O-CB 3.49Å; E252-L256 PolarHBondContact O-N 2.84Å
253D86.9Confident86.6Confident49 Ų4973.9 Ų73.926%0.26237%0.371SS..Hα-helixtrans-62.1-37.3176.4-54-41.9000112.3M240 L244 Q250 L256 L257M240-D253 WeakPolarHBondContact CE-O 3.38Å; L244-D253 HydrophobicContact CD1-CB 4.07Å; L244-D253 HydrophobicContact CD2-CB 3.62Å; Q250-D253 VanDerWaalsContact CB-OD2 3.32Å; Q250-D253 WeakPolarHBondContact CB-OD2 3.36Å; Q250-D253 PolarHBondContact O-N 3.15Å; D253-L256 PolarHBondContact O-N 3.03Å; D253-L257 VanDerWaalsContact O-CB 3.27Å; D253-L257 WeakPolarHBondContact O-CB 3.42Å; D253-L257 PolarHBondContact O-N 3.36Å
254S86Confident87Confident17 Ų1767.5 Ų67.512%0.11934%0.341CS..Hα-helixtrans-68.4-39.3-179.8-52.30000111S249 Q250 Q251 E252 Q258S249-S254 PolarHBondContact OG-OG 3.24Å; Q250-S254 WeakPolarHBondContact O-CB 3.35Å; Q250-S254 PolarHBondContact O-N 3.17Å; Q250-S254 VanDerWaalsContact O-N 3.11Å; Q250-S254 PolarHBondContact O-OG 3.26Å; Q251-S254 WeakPolarHBondContact O-CB 3.39Å; Q251-S254 PolarHBondContact O-N 3.07Å; E252-S254 VanDerWaalsContact C-N 3.28Å; E252-S254 PolarHBondContact O-N 3.25Å; S254-Q258 WeakPolarHBondContact O-CB 3.26Å; S254-Q258 PolarHBondContact O-N 3.12Å
255E89.6Confident87.4Confident87 Ų8770 Ų7041%0.40735%0.349SS..Hα-helixtrans-70.7-39.2175.1-73.5174.1-164.100112.3Q251 E252 Q258 Q259Q251-E255 WeakPolarHBondContact CG-OE1 3.28Å; Q251-E255 PolarHBondContact NE2-OE1 3.04Å; Q251-E255 WeakPolarHBondContact O-CG 3.19Å; Q251-E255 PolarHBondContact O-N 3.13Å; E252-E255 PolarHBondContact O-N 3Å; E255-Q258 PolarHBondContact O-N 3.48Å; E255-Q259 WeakPolarHBondContact O-CG 3.43Å; E255-Q259 PolarHBondContact O-N 2.99Å; E255-Q259 PolarHBondContact O-NE2 3.28Å
256L92.4Very high87.9Confident90 Ų9071 Ų7147%0.47135%0.348SS..Hα-helixtrans-64.8-44.9174.4177.660.8000111.4M240 E252 D253 Q258 Q259 L260M240-L256 HydrophobicContact CE-CB 4.03Å; M240-L256 HydrophobicContact CE-CD2 3.77Å; M240-L256 HydrophobicContact CE-CG 3.8Å; M240-L256 HydrophobicContact SD-CD2 4.09Å; M240-L256 HydrophobicContact SD-CG 4.08Å; E252-L256 WeakPolarHBondContact O-CB 3.49Å; E252-L256 PolarHBondContact O-N 2.84Å; D253-L256 PolarHBondContact O-N 3.03Å; L256-Q258 VanDerWaalsContact C-N 3.32Å; L256-Q258 PolarHBondContact O-N 3.16Å; L256-Q259 PolarHBondContact O-N 3.21Å; L256-L260 WeakPolarHBondContact O-CB 3.48Å; L256-L260 PolarHBondContact O-N 3.15Å
257L92.4Very high88.6Confident0 Ų070.9 Ų70.90%035%0.345CS..Hα-helixtrans-62.6-38.9176.1-17867.2000111.6M237 M240 L241 L244 D253 L260 Y261 Y301 F304M237-L257 HydrophobicContact CG-CD1 4.11Å; M240-L257 HydrophobicContact CB-CD1 3.89Å; M240-L257 HydrophobicContact CE-CB 3.98Å; L241-L257 HydrophobicContact CD2-CD1 4.29Å; L241-L257 HydrophobicContact CD2-CD2 3.84Å; L241-L257 HydrophobicContact CG-CD1 4.04Å; L241-L257 HydrophobicContact CG-CD2 4.45Å; L244-L257 HydrophobicContact CD1-CB 4.39Å; L244-L257 HydrophobicContact CD1-CD2 4.01Å; D253-L257 VanDerWaalsContact O-CB 3.27Å; D253-L257 WeakPolarHBondContact O-CB 3.42Å; D253-L257 PolarHBondContact O-N 3.36Å; L257-L260 PolarHBondContact O-N 3.42Å; L257-Y261 WeakPolarHBondContact O-CB 3.44Å; L257-Y261 PolarHBondContact O-N 3.01Å; L257-Y301 HydrophobicContact CD1-CD2 4.36Å; L257-Y301 HydrophobicContact CD2-CD2 3.92Å; L257-Y301 HydrophobicContact CD2-CE2 4.01Å; L257-Y301 HydrophobicContact CG-CD2 3.83Å; L257-Y301 HydrophobicContact CG-CE2 3.8Å; L257-F304 HydrophobicContact CD2-CD1 3.81Å; L257-F304 HydrophobicContact CD2-CE1 3.68Å; L257-F304 HydrophobicContact CD2-CZ 4.38Å
258Q92.9Very high89.6Confident118 Ų11871.3 Ų71.355%0.55134%0.34SS*.Hα-helixtrans-65.2-41.5175.4-176.8177.411.600112.3S254 E255 L256 L260 Y261 Q262S254-Q258 WeakPolarHBondContact O-CB 3.26Å; S254-Q258 PolarHBondContact O-N 3.12Å; E255-Q258 PolarHBondContact O-N 3.48Å; L256-Q258 VanDerWaalsContact C-N 3.32Å; L256-Q258 PolarHBondContact O-N 3.16Å; Q258-L260 VanDerWaalsContact C-N 3.35Å; Q258-Y261 PolarHBondContact O-N 3.11Å; Q258-Q262 PolarHBondContact O-N 3.06Å; Q258-Q262 VanDerWaalsContact O-N 3.11Å
259Q94.5Very high90.6Very high122 Ų12267.4 Ų67.457%0.5733%0.331SS*.Hα-helixtrans-62.2-43.8174.1-73.9170.160.200111.2E255 L256 Q262 V263E255-Q259 WeakPolarHBondContact O-CG 3.43Å; E255-Q259 PolarHBondContact O-N 2.99Å; E255-Q259 PolarHBondContact O-NE2 3.28Å; L256-Q259 PolarHBondContact O-N 3.21Å; Q259-Q262 WeakPolarHBondContact O-CB 3.41Å; Q259-Q262 PolarHBondContact O-N 3.45Å; Q259-V263 WeakPolarHBondContact O-CG2 3.15Å; Q259-V263 PolarHBondContact O-N 3.08Å
260L93.1Very high91.2Very high16 Ų1673.4 Ų73.48%0.08435%0.352CS..Hα-helixtrans-67.6-37.6179.9-17155.7000112.3N233 V236 M237 M240 L256 L257 Q258 Q262 V263 C264N233-L260 HydrophobicContact CB-CD1 3.93Å; N233-L260 WeakPolarHBondContact OD1-CD1 3.2Å; V236-L260 HydrophobicContact CB-CD2 4.01Å; V236-L260 HydrophobicContact CG1-CD2 3.69Å; M237-L260 HydrophobicContact CB-CD2 3.69Å; M237-L260 HydrophobicContact CB-CG 3.89Å; M237-L260 HydrophobicContact CG-CD2 4.35Å; M237-L260 HydrophobicContact CG-CG 4.26Å; M240-L260 HydrophobicContact SD-CD2 4.2Å; L256-L260 WeakPolarHBondContact O-CB 3.48Å; L256-L260 PolarHBondContact O-N 3.15Å; L257-L260 PolarHBondContact O-N 3.42Å; Q258-L260 VanDerWaalsContact C-N 3.35Å; L260-Q262 VanDerWaalsContact C-N 3.34Å; L260-Q262 PolarHBondContact O-N 3.28Å; L260-V263 PolarHBondContact O-N 3.09Å; L260-C264 WeakPolarHBondContact O-CB 3.36Å; L260-C264 PolarHBondContact O-N 3.39Å; L260-C264 PolarHBondContact O-SG 3.25Å
261Y94.8Very high91.8Very high36 Ų3667.2 Ų67.214%0.14132%0.323CS..Hα-helixtrans-56.6-46.5169.2176.4-94.9000111.9M237 L257 Q258 C264 R265 F298 Y301 D302M237-Y261 HydrophobicContact CE-CD2 3.71Å; M237-Y261 HydrophobicContact CE-CG 4.48Å; L257-Y261 WeakPolarHBondContact O-CB 3.44Å; L257-Y261 PolarHBondContact O-N 3.01Å; Q258-Y261 PolarHBondContact O-N 3.11Å; Y261-C264 PolarHBondContact O-N 2.76Å; Y261-R265 HydrophobicContact CD1-CG 4.12Å; Y261-R265 HydrophobicContact CE1-CG 3.87Å; Y261-R265 WeakPolarHBondContact O-CG 3.45Å; Y261-R265 PolarHBondContact O-N 3.42Å; Y261-R265 PolarHBondContact OH-NE 2.9Å; Y261-R265 PolarHBondContact OH-NH2 3.26Å; Y261-F298 AromaticContact CD2-CD1 3.65Å; Y261-F298 HydrophobicContact CD2-CD1 3.65Å; Y261-F298 HydrophobicContact CD2-CE1 4.21Å; Y261-F298 HydrophobicContact CE2-CB 4.1Å; Y261-F298 AromaticContact CE2-CD1 3.51Å; Y261-F298 HydrophobicContact CE2-CD1 3.51Å; Y261-F298 HydrophobicContact CE2-CE1 4.36Å; Y261-F298 HydrophobicContact CE2-CG 4.13Å; Y261-Y301 HydrophobicContact CD1-CD1 4.25Å; Y261-Y301 AromaticContact CD1-CE1 3.88Å; Y261-Y301 HydrophobicContact CD1-CE1 3.88Å; Y261-Y301 AromaticContact CD2-CD1 3.12Å; Y261-Y301 HydrophobicContact CD2-CD1 3.12Å; Y261-Y301 AromaticContact CD2-CD2 3.94Å; Y261-Y301 HydrophobicContact CD2-CD2 3.94Å; Y261-Y301 AromaticContact CD2-CE1 3.59Å; Y261-Y301 HydrophobicContact CD2-CE1 3.59Å; Y261-Y301 HydrophobicContact CD2-CE2 4.34Å; Y261-Y301 AromaticContact CD2-CG 3.31Å; Y261-Y301 HydrophobicContact CD2-CG 3.31Å; Y261-Y301 HydrophobicContact CE1-CD1 4.27Å; Y261-Y301 HydrophobicContact CE1-CE1 4.02Å; Y261-Y301 AromaticContact CE2-CD1 3.11Å; Y261-Y301 HydrophobicContact CE2-CD1 3.11Å; Y261-Y301 AromaticContact CE2-CE1 3.71Å; Y261-Y301 HydrophobicContact CE2-CE1 3.71Å; Y261-Y301 AromaticContact CE2-CG 3.69Å; Y261-Y301 HydrophobicContact CE2-CG 3.69Å; Y261-Y301 AromaticContact CG-CD1 3.7Å; Y261-Y301 HydrophobicContact CG-CD1 3.7Å; Y261-Y301 HydrophobicContact CG-CD2 4.24Å; Y261-Y301 AromaticContact CG-CE1 3.64Å; Y261-Y301 HydrophobicContact CG-CE1 3.64Å; Y261-Y301 HydrophobicContact CG-CE2 4.2Å; Y261-Y301 AromaticContact CG-CG 3.99Å; Y261-Y301 HydrophobicContact CG-CG 3.99Å; Y261-Y301 AromaticContact CG-CZ 3.9Å; Y261-Y301 AromaticContact CZ-CD1 3.7Å; Y261-Y301 AromaticContact CZ-CE1 3.89Å; Y261-D302 WeakPolarHBondContact CE2-OD1 2.95Å; Y261-D302 PolarHBondContact OH-OD1 2.93Å
262Q95Very high92.4Very high98 Ų9866.3 Ų66.346%0.45832%0.324SS..Hα-helixtrans-63.2-44.3179.2-178.858.136.800111.9Q258 Q259 L260 C264 R265 E266Q258-Q262 PolarHBondContact O-N 3.06Å; Q258-Q262 VanDerWaalsContact O-N 3.11Å; Q259-Q262 WeakPolarHBondContact O-CB 3.41Å; Q259-Q262 PolarHBondContact O-N 3.45Å; L260-Q262 VanDerWaalsContact C-N 3.34Å; L260-Q262 PolarHBondContact O-N 3.28Å; Q262-C264 PolarHBondContact O-N 3.26Å; Q262-R265 WeakPolarHBondContact O-CB 3.39Å; Q262-R265 PolarHBondContact O-N 3.42Å; Q262-E266 PolarHBondContact NE2-OE1 2.7Å; Q262-E266 PolarHBondContact O-N 2.95Å
263V94.3Very high92.7Very high56 Ų5663.6 Ų63.634%0.33931%0.311SS..Hα-helixtrans-60.3-45.9174.7171.20000111.2Q259 L260 R265 E266 M267Q259-V263 WeakPolarHBondContact O-CG2 3.15Å; Q259-V263 PolarHBondContact O-N 3.08Å; L260-V263 PolarHBondContact O-N 3.09Å; V263-R265 VanDerWaalsContact C-N 3.33Å; V263-R265 PolarHBondContact O-N 3.43Å; V263-E266 PolarHBondContact O-N 2.79Å; V263-M267 HydrophobicContact CG1-CE 3.54Å; V263-M267 HydrophobicContact CG1-SD 4Å; V263-M267 WeakPolarHBondContact O-CG 3.33Å; V263-M267 PolarHBondContact O-N 3.34Å
264C94.9Very high92.8Very high0 Ų063.6 Ų63.60%031%0.311CS..Hα-helixtrans-62.5-37.4176.6-73.40000112.3M237 L260 Y261 Q262 M267 Q268 L294 F298M237-C264 HydrophobicContact SD-CB 3.99Å; L260-C264 WeakPolarHBondContact O-CB 3.36Å; L260-C264 PolarHBondContact O-N 3.39Å; L260-C264 PolarHBondContact O-SG 3.25Å; Y261-C264 PolarHBondContact O-N 2.76Å; Q262-C264 PolarHBondContact O-N 3.26Å; C264-M267 WeakPolarHBondContact O-CB 3.27Å; C264-M267 PolarHBondContact O-N 3.14Å; C264-Q268 PolarHBondContact O-N 3.22Å; C264-L294 HydrophobicContact CB-CD2 3.79Å; C264-F298 HydrophobicContact CB-CE1 3.65Å; C264-F298 HydrophobicContact CB-CZ 3.94Å
265R95.1Very high93Very high77 Ų7764.6 Ų64.629%0.29131%0.314SS..Hα-helixtrans-64.3-41.7174.6-77.4-67.9-165.7-177.73.7112.6Y261 Q262 V263 M267 Q268 S269 F298 D302Y261-R265 HydrophobicContact CD1-CG 4.12Å; Y261-R265 HydrophobicContact CE1-CG 3.87Å; Y261-R265 WeakPolarHBondContact O-CG 3.45Å; Y261-R265 PolarHBondContact O-N 3.42Å; Y261-R265 PolarHBondContact OH-NE 2.9Å; Y261-R265 PolarHBondContact OH-NH2 3.26Å; Q262-R265 WeakPolarHBondContact O-CB 3.39Å; Q262-R265 PolarHBondContact O-N 3.42Å; V263-R265 VanDerWaalsContact C-N 3.33Å; V263-R265 PolarHBondContact O-N 3.43Å; R265-M267 VanDerWaalsContact C-N 3.34Å; R265-Q268 WeakPolarHBondContact O-CB 3.47Å; R265-Q268 PolarHBondContact O-N 3.17Å; R265-S269 PolarHBondContact O-N 3.49Å; R265-F298 HydrophobicContact CG-CD1 4.32Å; R265-F298 HydrophobicContact CG-CE1 3.84Å; R265-F298 HydrophobicContact CG-CZ 4.02Å; R265-F298 VanDerWaalsContact NH1-CD2 3.35Å; R265-D302 IonicContact NH2-OD2 3.97Å
266E94.3Very high92.9Very high111 Ų11165.1 Ų65.152%0.51933%0.325SS..Hα-helixtrans-65.8-38.1174.9-72.2171.1-154.700111.9Q262 V263 S269 R270Q262-E266 PolarHBondContact NE2-OE1 2.7Å; Q262-E266 PolarHBondContact O-N 2.95Å; V263-E266 PolarHBondContact O-N 2.79Å; E266-S269 PolarHBondContact O-N 2.85Å; E266-R270 WeakPolarHBondContact O-CG 3.06Å; E266-R270 PolarHBondContact O-N 3.39Å
267M92.6Very high92.6Very high30 Ų3065.5 Ų65.515%0.14832%0.321CS..Hα-helixtrans-63-44.4171.4-70.7171.917700111.9L229 V230 N233 V263 C264 R265 S269 R270 V271L229-M267 HydrophobicContact CD2-CE 4.25Å; L229-M267 HydrophobicContact CG-CE 4.2Å; V230-M267 HydrophobicContact CB-SD 4.23Å; V230-M267 HydrophobicContact CG1-CB 4.15Å; V230-M267 HydrophobicContact CG1-SD 4.28Å; V230-M267 HydrophobicContact CG2-CB 3.93Å; V230-M267 HydrophobicContact CG2-CG 3.97Å; V230-M267 HydrophobicContact CG2-SD 3.87Å; N233-M267 HydrophobicContact CB-SD 4.25Å; V263-M267 HydrophobicContact CG1-CE 3.54Å; V263-M267 HydrophobicContact CG1-SD 4Å; V263-M267 WeakPolarHBondContact O-CG 3.33Å; V263-M267 PolarHBondContact O-N 3.34Å; C264-M267 WeakPolarHBondContact O-CB 3.27Å; C264-M267 PolarHBondContact O-N 3.14Å; R265-M267 VanDerWaalsContact C-N 3.34Å; M267-S269 PolarHBondContact O-N 2.98Å; M267-R270 PolarHBondContact O-N 3.16Å; M267-V271 WeakPolarHBondContact O-CG2 3.17Å; M267-V271 PolarHBondContact O-N 3.26Å
268Q94.9Very high92.3Very high31 Ų3166 Ų6615%0.14532%0.323CS..Hα-helixtrans-57.4-47.6176.3-163.7-160.59.500111.5C264 R265 R270 V271 V272 N291 L294 F298C264-Q268 PolarHBondContact O-N 3.22Å; R265-Q268 WeakPolarHBondContact O-CB 3.47Å; R265-Q268 PolarHBondContact O-N 3.17Å; Q268-R270 VanDerWaalsContact C-N 3.27Å; Q268-R270 PolarHBondContact O-N 3.33Å; Q268-V271 PolarHBondContact O-N 3.02Å; Q268-V271 VanDerWaalsContact O-N 3.13Å; Q268-V272 HydrophobicContact CG-CG2 4.43Å; Q268-V272 WeakPolarHBondContact O-CG2 3.46Å; Q268-V272 PolarHBondContact O-N 3.28Å; Q268-N291 WeakPolarHBondContact CG-OD1 3.32Å; Q268-N291 PolarHBondContact NE2-OD1 2.73Å; Q268-L294 HydrophobicContact CB-CD1 4.01Å; Q268-L294 HydrophobicContact CG-CD1 4.3Å; Q268-F298 HydrophobicContact CB-CE2 3.95Å; Q268-F298 HydrophobicContact CB-CZ 4.19Å; Q268-F298 HydrophobicContact CG-CE2 4.06Å; Q268-F298 VanDerWaalsContact OE1-CE2 3.25Å
269S94.1Very high91.8Very high80 Ų8065.6 Ų65.656%0.55932%0.324SS*.Hα-helixtrans-55.7-44.1178.5-170.90000111.7R265 E266 M267 E273R265-S269 PolarHBondContact O-N 3.49Å; E266-S269 PolarHBondContact O-N 2.85Å; M267-S269 PolarHBondContact O-N 2.98Å; S269-E273 WeakPolarHBondContact O-CB 3.31Å; S269-E273 PolarHBondContact O-N 2.98Å
270R92.3Very high91.5Very high140 Ų14063 Ų6353%0.52831%0.314SS..Hα-helixtrans-68.8-37.1177-69.1176.760.3-163.1-10.9113.1D226 E266 M267 Q268 L274D226-R270 IonicContact OD2-NH2 2.69Å; D226-R270 PolarHBondContact OD2-NH2 3.05Å; E266-R270 WeakPolarHBondContact O-CG 3.06Å; E266-R270 PolarHBondContact O-N 3.39Å; M267-R270 PolarHBondContact O-N 3.16Å; Q268-R270 VanDerWaalsContact C-N 3.27Å; Q268-R270 PolarHBondContact O-N 3.33Å; R270-L274 WeakPolarHBondContact O-CB 3.4Å; R270-L274 WeakPolarHBondContact O-CD1 3.39Å; R270-L274 WeakPolarHBondContact O-CG 3.04Å; R270-L274 PolarHBondContact O-N 3.01Å; R270-L274 VanDerWaalsContact O-N 3.16Å
271V92.6Very high91.2Very high6 Ų670.1 Ų70.14%0.03635%0.347CS..Hα-helixtrans-62.1-49174.8164.10000110.5M267 Q268 E273 L274 I275 L287 N291M267-V271 WeakPolarHBondContact O-CG2 3.17Å; M267-V271 PolarHBondContact O-N 3.26Å; Q268-V271 PolarHBondContact O-N 3.02Å; Q268-V271 VanDerWaalsContact O-N 3.13Å; V271-E273 VanDerWaalsContact C-N 3.35Å; V271-E273 PolarHBondContact O-N 2.88Å; V271-L274 PolarHBondContact O-N 3.26Å; V271-L274 VanDerWaalsContact O-N 3.13Å; V271-I275 HydrophobicContact CG1-CD1 4.19Å; V271-I275 WeakPolarHBondContact O-CG1 3.14Å; V271-I275 PolarHBondContact O-N 3.36Å; V271-I275 VanDerWaalsContact O-N 3.16Å; V271-L287 HydrophobicContact CB-CD2 4.07Å; V271-L287 HydrophobicContact CG1-CB 4.22Å; V271-L287 HydrophobicContact CG1-CD2 3.7Å; V271-L287 WeakPolarHBondContact CG1-O 3.42Å; V271-L287 HydrophobicContact CG2-CD2 3.84Å; V271-N291 HydrophobicContact CG1-CB 3.89Å
272V93.1Very high90.8Very high75 Ų7569.9 Ų69.946%0.45536%0.355SS..Hα-helixtrans-63.9-37.6179.1174.40000112Q268 L274 P276Q268-V272 HydrophobicContact CG-CG2 4.43Å; Q268-V272 WeakPolarHBondContact O-CG2 3.46Å; Q268-V272 PolarHBondContact O-N 3.28Å; V272-L274 VanDerWaalsContact C-N 3.28Å; V272-L274 PolarHBondContact O-N 2.84Å; V272-P276 WeakPolarHBondContact O-CD 3.39Å
273E91.4Very high90.5Very high97 Ų9765.2 Ų65.245%0.45333%0.334SS..Hα-helixtrans-67.9-26.1175.4-158.8-165158.400113.2S269 V271 R277S269-E273 WeakPolarHBondContact O-CB 3.31Å; S269-E273 PolarHBondContact O-N 2.98Å; V271-E273 VanDerWaalsContact C-N 3.35Å; V271-E273 PolarHBondContact O-N 2.88Å; E273-R277 VanDerWaalsContact CD-NH1 3.34Å; E273-R277 IonicContact OE1-CZ 3.14Å; E273-R277 IonicContact OE1-NH1 2.79Å; E273-R277 PolarHBondContact OE1-NH1 2.98Å; E273-R277 IonicContact OE1-NH2 2.76Å; E273-R277 PolarHBondContact OE1-NH2 2.93Å
274L88.9Confident90.3Very high49 Ų4964.4 Ų64.426%0.25733%0.327SS..Hα-helixtrans-83.4-39.1-179.2-75.4168.2000113.1L223 R270 V271 V272 R277 L278 L287L223-L274 HydrophobicContact CD1-CD1 3.74Å; R270-L274 WeakPolarHBondContact O-CB 3.4Å; R270-L274 WeakPolarHBondContact O-CD1 3.39Å; R270-L274 WeakPolarHBondContact O-CG 3.04Å; R270-L274 PolarHBondContact O-N 3.01Å; R270-L274 VanDerWaalsContact O-N 3.16Å; V271-L274 PolarHBondContact O-N 3.26Å; V271-L274 VanDerWaalsContact O-N 3.13Å; V272-L274 VanDerWaalsContact C-N 3.28Å; V272-L274 PolarHBondContact O-N 2.84Å; L274-R277 PolarHBondContact O-N 2.95Å; L274-L278 WeakPolarHBondContact O-CG 3.48Å; L274-L278 PolarHBondContact O-N 3.34Å; L274-L287 HydrophobicContact CB-CD1 4.31Å
275I90.3Very high90.2Very high37 Ų3770.7 Ų70.719%0.1936%0.356CS..G310 helixtrans-44.7-53.6-178.1-72.8162.8000113.7V271 R277 L278 I284 L287 L288V271-I275 HydrophobicContact CG1-CD1 4.19Å; V271-I275 WeakPolarHBondContact O-CG1 3.14Å; V271-I275 PolarHBondContact O-N 3.36Å; V271-I275 VanDerWaalsContact O-N 3.16Å; I275-R277 PolarHBondContact O-N 3.39Å; I275-L278 PolarHBondContact O-N 3.14Å; I275-I284 HydrophobicContact CG2-CG2 4.48Å; I275-L287 HydrophobicContact CD1-CB 4.34Å; I275-L287 HydrophobicContact CG1-CB 3.87Å; I275-L287 HydrophobicContact CG1-CD1 4.33Å; I275-L288 HydrophobicContact CD1-CD2 3.82Å; I275-L288 HydrophobicContact CD1-CG 4.3Å
276P87.5Confident90.1Very high98 Ų9869.4 Ų69.464%0.63635%0.354SS*.G310 helixtrans-73.7-8.1-177.330.4-36.9000114.6V272V272-P276 WeakPolarHBondContact O-CD 3.39Å
277R86.4Confident90.1Very high99 Ų9964.1 Ų64.137%0.37433%0.329SS..G310 helixtrans-96.5-10.5-177.9-64.9-178.4175.8152.56.4113.6I213 E273 L274 I275I213-R277 PolarHBondContact N-O 3.5Å; E273-R277 VanDerWaalsContact CD-NH1 3.34Å; E273-R277 IonicContact OE1-CZ 3.14Å; E273-R277 IonicContact OE1-NH1 2.79Å; E273-R277 PolarHBondContact OE1-NH1 2.98Å; E273-R277 IonicContact OE1-NH2 2.76Å; E273-R277 PolarHBondContact OE1-NH2 2.93Å; L274-R277 PolarHBondContact O-N 2.95Å; I275-R277 PolarHBondContact O-N 3.39Å
278L85.6Confident90.2Very high9 Ų966.2 Ų66.25%0.04734%0.34CS..  trans-94.6155-176.2-63.8176.1000112I215 L223 L274 I275 L283 I284 L287I215-L278 HydrophobicContact CD1-CD2 3.47Å; I215-L278 VanDerWaalsContact CD1-CD2 3.47Å; I215-L278 HydrophobicContact CG1-CD2 3.45Å; I215-L278 VanDerWaalsContact CG1-CD2 3.45Å; L223-L278 HydrophobicContact CD2-CD1 4.05Å; L223-L278 HydrophobicContact CD2-CD2 4.39Å; L274-L278 WeakPolarHBondContact O-CG 3.48Å; L274-L278 PolarHBondContact O-N 3.34Å; I275-L278 PolarHBondContact O-N 3.14Å; L278-L283 HydrophobicContact CD1-CB 4.31Å; L278-I284 HydrophobicContact CB-CD1 3.98Å; L278-I284 HydrophobicContact CB-CG1 3.69Å; L278-I284 HydrophobicContact CD1-CG1 4.26Å; L278-L287 HydrophobicContact CD1-CD1 3.18Å
279L83.3Confident90.2Very high110 Ų11068.2 Ų68.258%0.57635%0.354SS*.  trans-122.4-7.4171.5-65.7176000112.8P212 E281P212-L279 HydrophobicContact CB-CD1 3.92Å; P212-L279 HydrophobicContact CB-CD2 3.59Å; P212-L279 HydrophobicContact CB-CG 3.7Å; P212-L279 HydrophobicContact CG-CD2 4.24Å; L279-E281 PolarHBondContact O-N 2.77Å
280D86.3Confident90.2Very high67 Ų6764.4 Ų64.436%0.35833%0.328SS..  trans-82.9102.4176.1178.7-20000108.2R224 G282 L283 I284R224-D280 IonicContact NH2-OD2 3.34Å; D280-G282 PolarHBondContact O-N 3.26Å; D280-G282 PolarHBondContact OD1-N 2.76Å; D280-G282 VanDerWaalsContact OD1-N 3.11Å; D280-L283 HydrophobicContact CB-CB 4.07Å; D280-L283 HydrophobicContact CB-CD1 3.99Å; D280-L283 HydrophobicContact CB-CG 4.26Å; D280-L283 PolarHBondContact O-N 3.27Å; D280-L283 VanDerWaalsContact O-N 3.11Å; D280-L283 PolarHBondContact OD1-N 2.9Å; D280-L283 VanDerWaalsContact OD2-CD1 3.3Å; D280-L283 WeakPolarHBondContact OD2-CD1 3.45Å; D280-L283 WeakPolarHBondContact OD2-CG 3.45Å; D280-I284 WeakPolarHBondContact O-CG1 3.33Å; D280-I284 PolarHBondContact O-N 3Å
281E86.8Confident90.3Very high167 Ų16759 Ų5978%0.7831%0.309SS*.Hα-helixtrans-54.9-37.1-177.1-64.1-177.3159.700112.5L279 I284 E285L279-E281 PolarHBondContact O-N 2.77Å; E281-I284 PolarHBondContact O-N 3.31Å; E281-E285 PolarHBondContact O-N 3.36Å
282G88.3Confident90.4Very high30 Ų3062.8 Ų62.831%0.30933%0.329SS..Hα-helixtrans-71.2-35.5178.900000112.9D280 E286D280-G282 PolarHBondContact O-N 3.26Å; D280-G282 PolarHBondContact OD1-N 2.76Å; D280-G282 VanDerWaalsContact OD1-N 3.11Å; G282-E286 WeakPolarHBondContact O-CG 3.5Å; G282-E286 PolarHBondContact O-N 2.89Å
283L87.7Confident90.5Very high1 Ų162.6 Ų62.61%0.00533%0.326CS..Hα-helixtrans-70.1-33.6171.5-77.2174000112.5A220 L223 R224 L278 D280 L287A220-L283 HydrophobicContact CB-CD1 3.9Å; L223-L283 HydrophobicContact CD2-CD1 4.28Å; L223-L283 HydrophobicContact CD2-CD2 4.32Å; R224-L283 HydrophobicContact CG-CD2 3.81Å; L278-L283 HydrophobicContact CD1-CB 4.31Å; D280-L283 HydrophobicContact CB-CB 4.07Å; D280-L283 HydrophobicContact CB-CD1 3.99Å; D280-L283 HydrophobicContact CB-CG 4.26Å; D280-L283 PolarHBondContact O-N 3.27Å; D280-L283 VanDerWaalsContact O-N 3.11Å; D280-L283 PolarHBondContact OD1-N 2.9Å; D280-L283 VanDerWaalsContact OD2-CD1 3.3Å; D280-L283 WeakPolarHBondContact OD2-CD1 3.45Å; D280-L283 WeakPolarHBondContact OD2-CG 3.45Å; L283-L287 WeakPolarHBondContact O-CB 3.35Å; L283-L287 WeakPolarHBondContact O-CD1 3.28Å; L283-L287 WeakPolarHBondContact O-CG 3.33Å; L283-L287 PolarHBondContact O-N 3.48Å
284I91.1Very high90.7Very high38 Ų3858 Ų5820%0.19530%0.304CS..Hα-helixtrans-66.8-44.9175.3-66.6163.9000110.1I275 L278 D280 E281 L287 L288I275-I284 HydrophobicContact CG2-CG2 4.48Å; L278-I284 HydrophobicContact CB-CD1 3.98Å; L278-I284 HydrophobicContact CB-CG1 3.69Å; L278-I284 HydrophobicContact CD1-CG1 4.26Å; D280-I284 WeakPolarHBondContact O-CG1 3.33Å; D280-I284 PolarHBondContact O-N 3Å; E281-I284 PolarHBondContact O-N 3.31Å; I284-L287 PolarHBondContact O-N 2.97Å; I284-L288 HydrophobicContact CG2-CD1 3.86Å; I284-L288 HydrophobicContact CG2-CG 4.38Å; I284-L288 WeakPolarHBondContact O-CG 3.48Å; I284-L288 PolarHBondContact O-N 3.41Å
285E92.6Very high91Very high132 Ų13260 Ų6062%0.61731%0.312SS*.Hα-helixtrans-56.3-50.9172.5-175.1-176.1-176.200111.2E281 L287 L288 V289E281-E285 PolarHBondContact O-N 3.36Å; E285-L287 VanDerWaalsContact C-N 3.26Å; E285-L287 PolarHBondContact O-N 3.26Å; E285-L288 PolarHBondContact O-N 3.41Å; E285-V289 WeakPolarHBondContact O-CG2 3.17Å; E285-V289 PolarHBondContact O-N 2.89Å
286E92.6Very high91.2Very high51 Ų5162.3 Ų62.324%0.23833%0.325CS..Hα-helixtrans-59-33.9177.9-78.3-157.1-104.100113.5R224 L227 R231 G282 V290R224-E286 IonicContact NE-OE1 2.73Å; R224-E286 PolarHBondContact NE-OE1 2.98Å; L227-E286 HydrophobicContact CD1-CB 4.23Å; R231-E286 IonicContact CZ-OE2 3.67Å; R231-E286 VanDerWaalsContact CZ-OE2 3.28Å; R231-E286 IonicContact NH1-OE2 2.97Å; R231-E286 PolarHBondContact NH1-OE2 2.87Å; R231-E286 PolarHBondContact NH2-O 3.13Å; R231-E286 IonicContact NH2-OE2 3.63Å; R231-E286 PolarHBondContact NH2-OE2 3.44Å; G282-E286 WeakPolarHBondContact O-CG 3.5Å; G282-E286 PolarHBondContact O-N 2.89Å; E286-V290 VanDerWaalsContact O-CG2 3.27Å; E286-V290 WeakPolarHBondContact O-CG2 3.38Å; E286-V290 PolarHBondContact O-N 2.93Å
287L93.4Very high91.4Very high0 Ų057.7 Ų57.70%030%0.295CS..Hα-helixtrans-75.5-40177.1-81.5162.8000112.8L223 L227 V271 L274 I275 L278 L283 I284 E285 V290 N291L223-L287 HydrophobicContact CD2-CD1 4.3Å; L227-L287 HydrophobicContact CD1-CD2 4.32Å; L227-L287 HydrophobicContact CD1-CG 4.25Å; L227-L287 HydrophobicContact CD2-CD2 3.68Å; L227-L287 HydrophobicContact CD2-CG 4.3Å; L227-L287 HydrophobicContact CG-CD2 4.31Å; V271-L287 HydrophobicContact CB-CD2 4.07Å; V271-L287 HydrophobicContact CG1-CB 4.22Å; V271-L287 HydrophobicContact CG1-CD2 3.7Å; V271-L287 WeakPolarHBondContact CG1-O 3.42Å; V271-L287 HydrophobicContact CG2-CD2 3.84Å; L274-L287 HydrophobicContact CB-CD1 4.31Å; I275-L287 HydrophobicContact CD1-CB 4.34Å; I275-L287 HydrophobicContact CG1-CB 3.87Å; I275-L287 HydrophobicContact CG1-CD1 4.33Å; L278-L287 HydrophobicContact CD1-CD1 3.18Å; L283-L287 WeakPolarHBondContact O-CB 3.35Å; L283-L287 WeakPolarHBondContact O-CD1 3.28Å; L283-L287 WeakPolarHBondContact O-CG 3.33Å; L283-L287 PolarHBondContact O-N 3.48Å; I284-L287 PolarHBondContact O-N 2.97Å; E285-L287 VanDerWaalsContact C-N 3.26Å; E285-L287 PolarHBondContact O-N 3.26Å; L287-V290 PolarHBondContact O-N 2.91Å; L287-N291 WeakPolarHBondContact O-CB 3.5Å; L287-N291 PolarHBondContact O-N 3.39Å
288L94.9Very high91.9Very high74 Ų7453.1 Ų53.139%0.38728%0.278SS..Hα-helixtrans-63.8-49.6178-74.4167.6000110.6I275 I284 E285 V290 N291 D292I275-L288 HydrophobicContact CD1-CD2 3.82Å; I275-L288 HydrophobicContact CD1-CG 4.3Å; I284-L288 HydrophobicContact CG2-CD1 3.86Å; I284-L288 HydrophobicContact CG2-CG 4.38Å; I284-L288 WeakPolarHBondContact O-CG 3.48Å; I284-L288 PolarHBondContact O-N 3.41Å; E285-L288 PolarHBondContact O-N 3.41Å; L288-V290 VanDerWaalsContact C-N 3.29Å; L288-V290 PolarHBondContact O-N 2.93Å; L288-N291 WeakPolarHBondContact O-CB 3.26Å; L288-N291 PolarHBondContact O-N 3.35Å; L288-D292 VanDerWaalsContact O-CG 3.29Å; L288-D292 PolarHBondContact O-N 3.37Å
289V94.4Very high92.3Very high73 Ų7356.8 Ų56.844%0.44230%0.297SS..Hα-helixtrans-54.7-45.7175.41740000111.2E285 N291 D292 D293E285-V289 WeakPolarHBondContact O-CG2 3.17Å; E285-V289 PolarHBondContact O-N 2.89Å; V289-N291 PolarHBondContact O-N 2.68Å; V289-D292 PolarHBondContact O-N 3.29Å; V289-D293 PolarHBondContact O-N 3.31Å
290V94.6Very high92.7Very high0 Ų057.9 Ų57.90%029%0.293CS..Hα-helixtrans-68-33.9178.9169.10000112.6L227 V230 R231 E286 L287 L288 L294L227-V290 HydrophobicContact CD2-CB 4.2Å; L227-V290 HydrophobicContact CD2-CG1 4.12Å; L227-V290 HydrophobicContact CD2-CG2 4.15Å; V230-V290 HydrophobicContact CB-CG1 4.07Å; V230-V290 HydrophobicContact CG1-CG1 3.43Å; V230-V290 VanDerWaalsContact CG1-CG1 3.43Å; R231-V290 HydrophobicContact CG-CG2 3.7Å; R231-V290 VanDerWaalsContact NE-CG2 3.26Å; E286-V290 VanDerWaalsContact O-CG2 3.27Å; E286-V290 WeakPolarHBondContact O-CG2 3.38Å; E286-V290 PolarHBondContact O-N 2.93Å; L287-V290 PolarHBondContact O-N 2.91Å; L288-V290 VanDerWaalsContact C-N 3.29Å; L288-V290 PolarHBondContact O-N 2.93Å; V290-L294 HydrophobicContact CG1-CD1 4.15Å; V290-L294 WeakPolarHBondContact O-CB 3.31Å; V290-L294 WeakPolarHBondContact O-CD1 3.46Å; V290-L294 WeakPolarHBondContact O-CG 3.41Å; V290-L294 PolarHBondContact O-N 3.31Å
291N95.8Very high93.1Very high26 Ų2655.5 Ų55.514%0.13928%0.279CS..Hα-helixtrans-65.7-41.2172.9172.170.4000111.9Q268 V271 L287 L288 V289 L294 H295Q268-N291 WeakPolarHBondContact CG-OD1 3.32Å; Q268-N291 PolarHBondContact NE2-OD1 2.73Å; V271-N291 HydrophobicContact CG1-CB 3.89Å; L287-N291 WeakPolarHBondContact O-CB 3.5Å; L287-N291 PolarHBondContact O-N 3.39Å; L288-N291 WeakPolarHBondContact O-CB 3.26Å; L288-N291 PolarHBondContact O-N 3.35Å; V289-N291 PolarHBondContact O-N 2.68Å; N291-L294 PolarHBondContact O-N 3.04Å; N291-H295 WeakPolarHBondContact O-CB 3.49Å; N291-H295 PolarHBondContact O-N 3.29Å
292D94.2Very high93.4Very high85 Ų8549.9 Ų49.946%0.45525%0.254SS..Hα-helixtrans-70.6-40.9-178.5-63-15.7000110.8L288 V289 H295 N296L288-D292 VanDerWaalsContact O-CG 3.29Å; L288-D292 PolarHBondContact O-N 3.37Å; V289-D292 PolarHBondContact O-N 3.29Å; D292-H295 PolarHBondContact O-N 3.26Å; D292-N296 WeakPolarHBondContact O-CB 3.27Å; D292-N296 PolarHBondContact O-N 3.01Å; D292-N296 PolarHBondContact O-ND2 2.95Å
293D94.6Very high93.5Very high71 Ų7154.7 Ų54.738%0.3826%0.263SS..Hα-helixtrans-61.4-44.4171.8-70.7-30.7000112.2L234 V289 H295 N296 A297L234-D293 HydrophobicContact CD1-CB 4.45Å; L234-D293 HydrophobicContact CD2-CB 3.41Å; L234-D293 VanDerWaalsContact CD2-CB 3.41Å; V289-D293 PolarHBondContact O-N 3.31Å; D293-H295 VanDerWaalsContact C-N 3.34Å; D293-H295 PolarHBondContact O-N 3.42Å; D293-N296 PolarHBondContact O-N 3.41Å; D293-A297 PolarHBondContact O-N 3.31Å
294L95.4Very high93.6Very high0 Ų055.3 Ų55.30%027%0.266CS..Hα-helixtrans-58.8-45.5173.6-79.6169.6000111.1V230 L234 C264 Q268 V290 N291 N296 A297 F298V230-L294 HydrophobicContact CG1-CD1 3.74Å; V230-L294 HydrophobicContact CG1-CD2 4.2Å; V230-L294 HydrophobicContact CG1-CG 4.2Å; L234-L294 HydrophobicContact CB-CD2 4.46Å; L234-L294 HydrophobicContact CD1-CD2 4.42Å; C264-L294 HydrophobicContact CB-CD2 3.79Å; Q268-L294 HydrophobicContact CB-CD1 4.01Å; Q268-L294 HydrophobicContact CG-CD1 4.3Å; V290-L294 HydrophobicContact CG1-CD1 4.15Å; V290-L294 WeakPolarHBondContact O-CB 3.31Å; V290-L294 WeakPolarHBondContact O-CD1 3.46Å; V290-L294 WeakPolarHBondContact O-CG 3.41Å; V290-L294 PolarHBondContact O-N 3.31Å; N291-L294 PolarHBondContact O-N 3.04Å; L294-N296 PolarHBondContact O-N 2.85Å; L294-A297 PolarHBondContact O-N 3.35Å; L294-F298 HydrophobicContact CB-CE2 3.85Å; L294-F298 HydrophobicContact CB-CZ 4.06Å; L294-F298 HydrophobicContact CD2-CZ 4.02Å; L294-F298 WeakPolarHBondContact O-CD2 3.21Å; L294-F298 WeakPolarHBondContact O-CE2 3.44Å; L294-F298 WeakPolarHBondContact O-CG 3.5Å; L294-F298 PolarHBondContact O-N 3.04Å
295H95Very high93.6Very high93 Ų9355.4 Ų55.443%0.43127%0.267SS..Hα-helixtrans-60.5-45.3178.1-167.877.3000111.8N291 D292 D293 A297 F298 I299N291-H295 WeakPolarHBondContact O-CB 3.49Å; N291-H295 PolarHBondContact O-N 3.29Å; D292-H295 PolarHBondContact O-N 3.26Å; D293-H295 VanDerWaalsContact C-N 3.34Å; D293-H295 PolarHBondContact O-N 3.42Å; H295-A297 VanDerWaalsContact C-N 3.34Å; H295-A297 PolarHBondContact O-N 3.29Å; H295-F298 PolarHBondContact O-N 3.04Å; H295-I299 WeakPolarHBondContact O-CG1 3.43Å; H295-I299 PolarHBondContact O-N 2.96Å
296N94.1Very high93.4Very high84 Ų8456.7 Ų56.745%0.44927%0.266SS..Hα-helixtrans-60.3-40.9175-77.1-46.4000112.3D292 D293 L294 I299 R300D292-N296 WeakPolarHBondContact O-CB 3.27Å; D292-N296 PolarHBondContact O-N 3.01Å; D292-N296 PolarHBondContact O-ND2 2.95Å; D293-N296 PolarHBondContact O-N 3.41Å; L294-N296 PolarHBondContact O-N 2.85Å; N296-I299 PolarHBondContact O-N 3.4Å; N296-R300 WeakPolarHBondContact O-CG 3.41Å; N296-R300 PolarHBondContact O-N 3.37Å
297A93.3Very high93.1Very high2 Ų258 Ų582%0.01727%0.274CS..Hα-helixtrans-66.3-37.1174.400000112.7L234 M237 D293 L294 H295 R300 Y301L234-A297 HydrophobicContact CD1-CB 3.53Å; M237-A297 HydrophobicContact CE-CB 4.25Å; M237-A297 HydrophobicContact SD-CB 4.47Å; D293-A297 PolarHBondContact O-N 3.31Å; L294-A297 PolarHBondContact O-N 3.35Å; H295-A297 VanDerWaalsContact C-N 3.34Å; H295-A297 PolarHBondContact O-N 3.29Å; A297-R300 PolarHBondContact O-N 3Å; A297-Y301 PolarHBondContact O-N 2.99Å
298F96.1Very high92.7Very high2 Ų258.5 Ų58.51%0.00928%0.277CS..Hα-helixtrans-65.5-41174.9-57.7-39.9000112.5M237 Y261 C264 R265 Q268 L294 H295 R300 Y301 D302M237-F298 HydrophobicContact CE-CD1 4.16Å; Y261-F298 AromaticContact CD2-CD1 3.65Å; Y261-F298 HydrophobicContact CD2-CD1 3.65Å; Y261-F298 HydrophobicContact CD2-CE1 4.21Å; Y261-F298 HydrophobicContact CE2-CB 4.1Å; Y261-F298 AromaticContact CE2-CD1 3.51Å; Y261-F298 HydrophobicContact CE2-CD1 3.51Å; Y261-F298 HydrophobicContact CE2-CE1 4.36Å; Y261-F298 HydrophobicContact CE2-CG 4.13Å; C264-F298 HydrophobicContact CB-CE1 3.65Å; C264-F298 HydrophobicContact CB-CZ 3.94Å; R265-F298 HydrophobicContact CG-CD1 4.32Å; R265-F298 HydrophobicContact CG-CE1 3.84Å; R265-F298 HydrophobicContact CG-CZ 4.02Å; R265-F298 VanDerWaalsContact NH1-CD2 3.35Å; Q268-F298 HydrophobicContact CB-CE2 3.95Å; Q268-F298 HydrophobicContact CB-CZ 4.19Å; Q268-F298 HydrophobicContact CG-CE2 4.06Å; Q268-F298 VanDerWaalsContact OE1-CE2 3.25Å; L294-F298 HydrophobicContact CB-CE2 3.85Å; L294-F298 HydrophobicContact CB-CZ 4.06Å; L294-F298 HydrophobicContact CD2-CZ 4.02Å; L294-F298 WeakPolarHBondContact O-CD2 3.21Å; L294-F298 WeakPolarHBondContact O-CE2 3.44Å; L294-F298 WeakPolarHBondContact O-CG 3.5Å; L294-F298 PolarHBondContact O-N 3.04Å; H295-F298 PolarHBondContact O-N 3.04Å; F298-R300 VanDerWaalsContact C-N 3.28Å; F298-R300 PolarHBondContact O-N 3.26Å; F298-Y301 PolarHBondContact O-N 3.31Å; F298-D302 WeakPolarHBondContact O-CB 3.3Å; F298-D302 VanDerWaalsContact O-CG 3.23Å; F298-D302 PolarHBondContact O-N 2.97Å
299I93.8Very high92.3Very high86 Ų8660.7 Ų60.744%0.44128%0.283SS..Hα-helixtrans-58.9-41.9175-67167.4000110.8H295 N296 R303H295-I299 WeakPolarHBondContact O-CG1 3.43Å; H295-I299 PolarHBondContact O-N 2.96Å; N296-I299 PolarHBondContact O-N 3.4Å; I299-R303 WeakPolarHBondContact O-CB 3.37Å; I299-R303 PolarHBondContact O-N 3.07Å; I299-R303 VanDerWaalsContact O-N 3.09Å
300R92.8Very high91.7Very high133 Ų13359.8 Ų59.850%0.50228%0.284SS..Hα-helixtrans-64.7-45.9176-67.3178.2-168.2-160.66.5111.8L241 N296 A297 F298 R303 F304L241-R300 HydrophobicContact CD1-CB 3.99Å; N296-R300 WeakPolarHBondContact O-CG 3.41Å; N296-R300 PolarHBondContact O-N 3.37Å; A297-R300 PolarHBondContact O-N 3Å; F298-R300 VanDerWaalsContact C-N 3.28Å; F298-R300 PolarHBondContact O-N 3.26Å; R300-R303 PolarHBondContact O-N 2.94Å; R300-F304 WeakPolarHBondContact O-CB 3.45Å; R300-F304 PolarHBondContact O-N 3.18Å
301Y94.3Very high90.8Very high18 Ų1864.1 Ų64.17%0.07130%0.304CS..Hα-helixtrans-62.2-47.9176.2176.4-87.2000112.6M237 L241 L257 Y261 A297 F298 R303 F304 D305M237-Y301 HydrophobicContact CE-CD2 4.35Å; M237-Y301 HydrophobicContact CE-CG 4.21Å; L241-Y301 HydrophobicContact CD2-CD2 4.45Å; L257-Y301 HydrophobicContact CD1-CD2 4.36Å; L257-Y301 HydrophobicContact CD2-CD2 3.92Å; L257-Y301 HydrophobicContact CD2-CE2 4.01Å; L257-Y301 HydrophobicContact CG-CD2 3.83Å; L257-Y301 HydrophobicContact CG-CE2 3.8Å; Y261-Y301 HydrophobicContact CD1-CD1 4.25Å; Y261-Y301 AromaticContact CD1-CE1 3.88Å; Y261-Y301 HydrophobicContact CD1-CE1 3.88Å; Y261-Y301 AromaticContact CD2-CD1 3.12Å; Y261-Y301 HydrophobicContact CD2-CD1 3.12Å; Y261-Y301 AromaticContact CD2-CD2 3.94Å; Y261-Y301 HydrophobicContact CD2-CD2 3.94Å; Y261-Y301 AromaticContact CD2-CE1 3.59Å; Y261-Y301 HydrophobicContact CD2-CE1 3.59Å; Y261-Y301 HydrophobicContact CD2-CE2 4.34Å; Y261-Y301 AromaticContact CD2-CG 3.31Å; Y261-Y301 HydrophobicContact CD2-CG 3.31Å; Y261-Y301 HydrophobicContact CE1-CD1 4.27Å; Y261-Y301 HydrophobicContact CE1-CE1 4.02Å; Y261-Y301 AromaticContact CE2-CD1 3.11Å; Y261-Y301 HydrophobicContact CE2-CD1 3.11Å; Y261-Y301 AromaticContact CE2-CE1 3.71Å; Y261-Y301 HydrophobicContact CE2-CE1 3.71Å; Y261-Y301 AromaticContact CE2-CG 3.69Å; Y261-Y301 HydrophobicContact CE2-CG 3.69Å; Y261-Y301 AromaticContact CG-CD1 3.7Å; Y261-Y301 HydrophobicContact CG-CD1 3.7Å; Y261-Y301 HydrophobicContact CG-CD2 4.24Å; Y261-Y301 AromaticContact CG-CE1 3.64Å; Y261-Y301 HydrophobicContact CG-CE1 3.64Å; Y261-Y301 HydrophobicContact CG-CE2 4.2Å; Y261-Y301 AromaticContact CG-CG 3.99Å; Y261-Y301 HydrophobicContact CG-CG 3.99Å; Y261-Y301 AromaticContact CG-CZ 3.9Å; Y261-Y301 AromaticContact CZ-CD1 3.7Å; Y261-Y301 AromaticContact CZ-CE1 3.89Å; A297-Y301 PolarHBondContact O-N 2.99Å; F298-Y301 PolarHBondContact O-N 3.31Å; Y301-R303 PolarHBondContact O-N 3.49Å; Y301-F304 WeakPolarHBondContact O-CA 3.46Å; Y301-F304 WeakPolarHBondContact O-CB 3.44Å; Y301-F304 PolarHBondContact O-N 3.37Å; Y301-D305 HydrophobicContact CE1-CB 4.18Å; Y301-D305 WeakPolarHBondContact O-CB 3Å; Y301-D305 PolarHBondContact O-N 2.79Å
302D92.9Very high89.6Confident48 Ų4867.6 Ų67.626%0.25732%0.315SS..Hα-helixtrans-63.6-30.2-179.6-66.5-8000111Y261 R265 F298 R306Y261-D302 WeakPolarHBondContact CE2-OD1 2.95Å; Y261-D302 PolarHBondContact OH-OD1 2.93Å; R265-D302 IonicContact NH2-OD2 3.97Å; F298-D302 WeakPolarHBondContact O-CB 3.3Å; F298-D302 VanDerWaalsContact O-CG 3.23Å; F298-D302 PolarHBondContact O-N 2.97Å; D302-R306 WeakPolarHBondContact O-CB 3.5Å; D302-R306 VanDerWaalsContact O-CG 3.3Å; D302-R306 WeakPolarHBondContact O-CG 3.43Å; D302-R306 PolarHBondContact O-N 3.38Å; D302-R306 PolarHBondContact O-NE 2.85Å; D302-R306 PolarHBondContact O-NH2 3.18Å
303R90Very high88.2Confident131 Ų13167.3 Ų67.349%0.49432%0.317SS..Hα-helixtrans-68.9-48.4168.7-177.6-179.4179.7173.72.5111.8I299 R300 Y301 R306 L307I299-R303 WeakPolarHBondContact O-CB 3.37Å; I299-R303 PolarHBondContact O-N 3.07Å; I299-R303 VanDerWaalsContact O-N 3.09Å; R300-R303 PolarHBondContact O-N 2.94Å; Y301-R303 PolarHBondContact O-N 3.49Å; R303-R306 PolarHBondContact O-N 2.97Å; R303-L307 HydrophobicContact CG-CD1 4.07Å; R303-L307 WeakPolarHBondContact O-CG 3.4Å; R303-L307 PolarHBondContact O-N 2.98Å; R303-L307 VanDerWaalsContact O-N 3.14Å
304F90.7Very high86.5Confident15 Ų1566.4 Ų66.47%0.06632%0.319CS..Hα-helixtrans-58.3-51179173.5-90.7000111.8L241 L244 P246 L257 R300 Y301 R306 L307 N308L241-F304 HydrophobicContact CD2-CB 3.84Å; L241-F304 HydrophobicContact CD2-CD1 4.41Å; L241-F304 HydrophobicContact CD2-CG 4.02Å; L244-F304 HydrophobicContact CB-CE2 3.77Å; L244-F304 HydrophobicContact CB-CZ 3.9Å; L244-F304 WeakPolarHBondContact O-CE2 3.26Å; P246-F304 HydrophobicContact CB-CD2 4.49Å; P246-F304 HydrophobicContact CB-CE2 4.47Å; P246-F304 HydrophobicContact CG-CD2 3.77Å; P246-F304 HydrophobicContact CG-CE2 4.05Å; L257-F304 HydrophobicContact CD2-CD1 3.81Å; L257-F304 HydrophobicContact CD2-CE1 3.68Å; L257-F304 HydrophobicContact CD2-CZ 4.38Å; R300-F304 WeakPolarHBondContact O-CB 3.45Å; R300-F304 PolarHBondContact O-N 3.18Å; Y301-F304 WeakPolarHBondContact O-CA 3.46Å; Y301-F304 WeakPolarHBondContact O-CB 3.44Å; Y301-F304 PolarHBondContact O-N 3.37Å; F304-R306 PolarHBondContact O-N 3.39Å; F304-L307 PolarHBondContact O-N 3.24Å; F304-N308 HydrophobicContact CE1-CB 4.42Å; F304-N308 VanDerWaalsContact O-CB 3.3Å; F304-N308 WeakPolarHBondContact O-CB 3.28Å; F304-N308 PolarHBondContact O-N 2.85Å
305D89.8Confident84.7Confident40 Ų4071.1 Ų71.121%0.21435%0.348CS..Hα-helixtrans-60.6-43.3-179.3173.667.6000112.4Y301 L307 N308 K309Y301-D305 HydrophobicContact CE1-CB 4.18Å; Y301-D305 WeakPolarHBondContact O-CB 3Å; Y301-D305 PolarHBondContact O-N 2.79Å; D305-L307 PolarHBondContact O-N 3.34Å; D305-N308 PolarHBondContact O-N 3.34Å; D305-K309 WeakPolarHBondContact O-CB 3.23Å; D305-K309 WeakPolarHBondContact O-CG 3.34Å; D305-K309 PolarHBondContact O-N 3.01Å; D305-K309 WeakPolarHBondContact OD1-CE 3.18Å; D305-K309 IonicContact OD1-NZ 3.48Å; D305-K309 PolarHBondContact OD1-NZ 3.06Å; D305-K309 WeakPolarHBondContact OD2-CE 3.36Å; D305-K309 IonicContact OD2-NZ 2.75Å; D305-K309 PolarHBondContact OD2-NZ 2.99Å
306R88.6Confident82.8Confident158 Ų15873.8 Ų73.860%0.59636%0.36SS*.Hα-helixtrans-60.1-45.8174.4-77.9-177-64.6-130.5-2.4112.5D302 R303 F304 A310D302-R306 WeakPolarHBondContact O-CB 3.5Å; D302-R306 VanDerWaalsContact O-CG 3.3Å; D302-R306 WeakPolarHBondContact O-CG 3.43Å; D302-R306 PolarHBondContact O-N 3.38Å; D302-R306 PolarHBondContact O-NE 2.85Å; D302-R306 PolarHBondContact O-NH2 3.18Å; R303-R306 PolarHBondContact O-N 2.97Å; F304-R306 PolarHBondContact O-N 3.39Å; R306-A310 WeakPolarHBondContact O-CB 3.49Å; R306-A310 PolarHBondContact O-N 2.97Å
307L87.1Confident80.7Confident78 Ų7878 Ų7841%0.40838%0.378SS..Hα-helixtrans-66.6-42.8178.8-69.8171.6000111.5P246 R303 F304 D305 A310 Q311P246-L307 HydrophobicContact CB-CB 3.76Å; P246-L307 HydrophobicContact CG-CB 4.12Å; P246-L307 HydrophobicContact CG-CD1 4.28Å; R303-L307 HydrophobicContact CG-CD1 4.07Å; R303-L307 WeakPolarHBondContact O-CG 3.4Å; R303-L307 PolarHBondContact O-N 2.98Å; R303-L307 VanDerWaalsContact O-N 3.14Å; F304-L307 PolarHBondContact O-N 3.24Å; D305-L307 PolarHBondContact O-N 3.34Å; L307-A310 PolarHBondContact O-N 3.45Å; L307-Q311 PolarHBondContact O-N 2.87Å
308N85.4Confident78.4Confident11 Ų1185.9 Ų85.96%0.05941%0.414CS..Hα-helixtrans-62.3-44.7178.9-163.917.7000111.6G247 S249 F304 D305 Q311 R312G247-N308 WeakPolarHBondContact CA-OD1 3.46Å; G247-N308 PolarHBondContact N-OD1 3.09Å; S249-N308 PolarHBondContact OG-ND2 3.35Å; F304-N308 HydrophobicContact CE1-CB 4.42Å; F304-N308 VanDerWaalsContact O-CB 3.3Å; F304-N308 WeakPolarHBondContact O-CB 3.28Å; F304-N308 PolarHBondContact O-N 2.85Å; D305-N308 PolarHBondContact O-N 3.34Å; N308-Q311 PolarHBondContact O-N 3.18Å; N308-R312 WeakPolarHBondContact O-CG 3.28Å; N308-R312 PolarHBondContact O-N 3.4Å
309K85.3Confident75.6Confident120 Ų12090.7 Ų90.752%0.52244%0.444SS..Hα-helixtrans-61.7-47.3174.2-76.5168.5175.6159.70112.2D305 Q311 R312 T313D305-K309 WeakPolarHBondContact O-CB 3.23Å; D305-K309 WeakPolarHBondContact O-CG 3.34Å; D305-K309 PolarHBondContact O-N 3.01Å; D305-K309 WeakPolarHBondContact OD1-CE 3.18Å; D305-K309 IonicContact OD1-NZ 3.48Å; D305-K309 PolarHBondContact OD1-NZ 3.06Å; D305-K309 WeakPolarHBondContact OD2-CE 3.36Å; D305-K309 IonicContact OD2-NZ 2.75Å; D305-K309 PolarHBondContact OD2-NZ 2.99Å; K309-Q311 PolarHBondContact O-N 3.29Å; K309-R312 PolarHBondContact O-N 3.2Å; K309-T313 PolarHBondContact O-N 2.72Å; K309-T313 PolarHBondContact O-OG1 3.39Å
310A83Confident73.1Confident54 Ų5491.9 Ų91.945%0.44646%0.457SS..Hα-helixtrans-60.1-43.2179.300000112.3R306 L307 T313 A314R306-A310 WeakPolarHBondContact O-CB 3.49Å; R306-A310 PolarHBondContact O-N 2.97Å; L307-A310 PolarHBondContact O-N 3.45Å; A310-T313 PolarHBondContact O-N 3.11Å; A310-T313 PolarHBondContact O-OG1 2.97Å; A310-A314 PolarHBondContact O-N 3.45Å; A310-A314 VanDerWaalsContact O-N 3.08Å
311Q75.3Confident70.5Confident92 Ų9290.1 Ų90.143%0.4347%0.471SS..Hα-helixtrans-69.7-40.8178.8-74.4174.7-37.800112.6P246 L307 N308 K309 T313 A314 T315P246-Q311 PolarHBondContact O-OE1 3.12Å; L307-Q311 PolarHBondContact O-N 2.87Å; N308-Q311 PolarHBondContact O-N 3.18Å; K309-Q311 PolarHBondContact O-N 3.29Å; Q311-T313 VanDerWaalsContact C-N 3.32Å; Q311-T313 PolarHBondContact O-N 2.88Å; Q311-A314 WeakPolarHBondContact O-CB 3.37Å; Q311-A314 PolarHBondContact O-N 3.23Å; Q311-A314 VanDerWaalsContact O-N 3.09Å; Q311-T315 PolarHBondContact O-N 2.96Å; Q311-T315 PolarHBondContact O-OG1 2.84Å
312R69.6Low67.7Low98 Ų98100.7 Ų100.737%0.3751%0.511SS..Hα-helixtrans-57.2-44.2172.6-74.5-179.4176-150.1-2.1111.7N308 K309 A314 T315 E316N308-R312 WeakPolarHBondContact O-CG 3.28Å; N308-R312 PolarHBondContact O-N 3.4Å; K309-R312 PolarHBondContact O-N 3.2Å; R312-A314 VanDerWaalsContact C-N 3.31Å; R312-A314 PolarHBondContact O-N 2.96Å; R312-T315 PolarHBondContact O-N 3.45Å; R312-E316 PolarHBondContact O-N 3.2Å
313T64.8Low65.2Low80 Ų80102.3 Ų102.349%0.49153%0.531SS..Hα-helixtrans-66.2-29.5175.753.50000114K309 A310 Q311 Q317K309-T313 PolarHBondContact O-N 2.72Å; K309-T313 PolarHBondContact O-OG1 3.39Å; A310-T313 PolarHBondContact O-N 3.11Å; A310-T313 PolarHBondContact O-OG1 2.97Å; Q311-T313 VanDerWaalsContact C-N 3.32Å; Q311-T313 PolarHBondContact O-N 2.88Å; T313-Q317 PolarHBondContact O-N 2.89Å
314A60.3Low62.8Low52 Ų52103.7 Ų103.743%0.4355%0.548SS..Hα-helixtrans-72.3-34.6175.900000112.2A310 Q311 R312A310-A314 PolarHBondContact O-N 3.45Å; A310-A314 VanDerWaalsContact O-N 3.08Å; Q311-A314 WeakPolarHBondContact O-CB 3.37Å; Q311-A314 PolarHBondContact O-N 3.23Å; Q311-A314 VanDerWaalsContact O-N 3.09Å; R312-A314 VanDerWaalsContact C-N 3.31Å; R312-A314 PolarHBondContact O-N 2.96Å
315T57.7Low60.2Low99 Ų99111 Ų11161%0.60759%0.587SS**Hα-helixtrans-67.7-39.1175.7-51.30000112.1Q311 R312 Q317 Q318Q311-T315 PolarHBondContact O-N 2.96Å; Q311-T315 PolarHBondContact O-OG1 2.84Å; R312-T315 PolarHBondContact O-N 3.45Å; T315-Q317 VanDerWaalsContact C-N 3.33Å; T315-Q317 PolarHBondContact O-N 2.95Å; T315-Q318 PolarHBondContact O-N 3.35Å
316E55.1Low57.8Low148 Ų148116.4 Ų116.469%0.69261%0.614SS**Hα-helixtrans-68.5-27.6178-69.4-175.514900113.6R312 Q318 T319R312-E316 PolarHBondContact O-N 3.2Å; E316-Q318 VanDerWaalsContact C-N 3.34Å; E316-T319 PolarHBondContact O-OG1 3.42Å
317Q49.5Very low55.1Low174 Ų174115 Ų11581%0.81362%0.619SS**THydrogen-bonded Turntrans-81.2-9.4176.2-71.2-173.9-1.500114.2T313 T315T313-Q317 PolarHBondContact O-N 2.89Å; T315-Q317 VanDerWaalsContact C-N 3.33Å; T315-Q317 PolarHBondContact O-N 2.95Å
318Q45.1Very low52.5Low166 Ų166117.7 Ų117.778%0.77663%0.633SS**THydrogen-bonded Turntrans-99.10.5177.9-71.8-168.5100114.6T315 E316 P320T315-Q318 PolarHBondContact O-N 3.35Å; E316-Q318 VanDerWaalsContact C-N 3.34Å; Q318-P320 WeakPolarHBondContact O-CD 3.4Å
319T37.1Very low49.9Very low103 Ų103122 Ų12263%0.63266%0.664SS**  trans-92.496.8167.639.40000111.4E316 A321E316-T319 PolarHBondContact O-OG1 3.42Å; T319-A321 PolarHBondContact O-N 3.49Å
320P40.1Very low47.8Very low112 Ų112122.3 Ų122.373%0.72768%0.678SS**  trans-63.1125.5163.328.5-33.3000107.9Q318 R322Q318-P320 WeakPolarHBondContact O-CD 3.4Å; P320-R322 PolarHBondContact O-N 2.78Å
321A39Very low45.5Very low96 Ų96126.1 Ų126.179%0.79370%0.695SS**  trans-58.6100-177.400000111.3T319 A323T319-A321 PolarHBondContact O-N 3.49Å; A321-A323 PolarHBondContact O-N 3.08Å
322R36.4Very low43.9Very low240 Ų240126.8 Ų126.891%0.90671%0.707SS**  trans-76.161.4156.8-77.9-170.3168.6-179.9-2.1109.2P320P320-R322 PolarHBondContact O-N 2.78Å
323A39.3Very low42Very low81 Ų81130.5 Ų130.567%0.66973%0.729SS**  trans-66.7130159.700000107.7A321A321-A323 PolarHBondContact O-N 3.08Å
324N39.1Very low40.2Very low160 Ų160131.8 Ų131.886%0.85674%0.741SS**  trans-62.8140.7-172.6-66.8-62000111.9
325L37.4Very low38.8Very low170 Ų170137.2 Ų137.289%0.8976%0.762SS**  trans-108.895.3-165.8-168.4124.4000112.6
326I38.5Very low37.6Very low152 Ų152137.8 Ų137.878%0.77977%0.77SS**  trans-156.7141.9165.1-4.3174.8000106.1
327D31.3Very low36.5Very low130 Ų130139.6 Ų139.670%0.69578%0.778SS**  cis-152.8168.25.8-153.810.5000114.5
328L33.6Very low36.2Very low134 Ų134137.1 Ų137.170%0.70278%0.777SS**  trans20.3110.4157.7-71.7165.5000123.5
329S31.6Very low35.5Very low102 Ų102133.5 Ų133.571%0.71378%0.776SS**  72.7167.3129.7-45.80000121.2
330P40.8Very low35.1Very low125 Ų125134.6 Ų134.681%0.81278%0.783SS**  -126176.6-65.538.5-23.4000115.1
331V33.6Very low34.7Very low135 Ų135135.5 Ų135.582%0.81879%0.786SS**  trans-79.8151.7-168.8-167.20000114.6
332P41.4Very low34.3Very low105 Ų105136 Ų13668%0.68279%0.785SS**  -145.5127.6109.832.7-14000114.9
333Q29.9Very low34Very low177 Ų177129.2 Ų129.283%0.82778%0.78SS**  96.8124.991.6-76.2-175.5-9.800117.9
334S28.5Very low33.7Very low107 Ų107129.8 Ų129.875%0.74878%0.784SS**  trans174.2119.9131.732.60000109.6
335L29.8Very low33.4Very low165 Ų165126.7 Ų126.786%0.86478%0.781SS**  61122.697.7-64.1163.1000112.8
336S32.7Very low33.2Very low111 Ų111124.2 Ų124.278%0.77678%0.778SS**  cis-156.9155.728.4-57.80000114.3
337Q31.6Very low33Very low186 Ų186125.3 Ų125.387%0.86978%0.78SS**  trans-86.1-177.8160.3-90-172.314.500110.3
338P42.8Very low33.5Very low122 Ų122125 Ų12579%0.79279%0.785SS**  cis-141.8-173.420.142.4-21.1000117.9
339A30.9Very low33.3Very low91 Ų91122.2 Ų122.275%0.75278%0.781SS**  trans-111173.5-177.900000113.7
340T28.9Very low33Very low125 Ų125127.4 Ų127.477%0.76779%0.791SS**  trans-135107.7162.5520000107.7
341T30.6Very low32.6Very low131 Ų131126.5 Ų126.580%0.80479%0.788SS**  49.5127.991.664.80000113.7
342S31.8Very low32.4Very low108 Ų108124.2 Ų124.276%0.75578%0.783SS**  cis-164156.415.356.50000113.4
343A30.8Very low32.3Very low97 Ų97125.4 Ų125.480%0.80279%0.791SS**  54.2145129.900000121.8
344A31.2Very low32.4Very low93 Ų93121.9 Ų121.977%0.76979%0.785SS**  cis-164160.20.300000113
345A33.3Very low32.5Very low94 Ų94124.5 Ų124.578%0.77779%0.791SS**  trans59.3144.5151.600000119.3
346S34Very low32.5Very low119 Ų119126 Ų12683%0.83279%0.794SS**  cis-147154.724.3-60.60000113.8
347Q34.6Very low32.5Very low175 Ų175131.8 Ų131.882%0.81880%0.799SS**  trans-106.4168.9167.6-92.7-123.8-8.100108.5
348P40.6Very low32.5Very low124 Ų124132.5 Ų132.581%0.80580%0.802SS**  cis-146.8174.749.939.3-16.9000118.8
349A29.7Very low32Very low75 Ų75131.6 Ų131.662%0.6281%0.805SS**  trans-79170.5179.200000114.6
350F26.5Very low31.9Very low210 Ų210132 Ų13292%0.92181%0.808SS**  trans-149.9165.3139.8-116-78000112.6
351S30.5Very low32Very low106 Ų106132.5 Ų132.574%0.74181%0.806SS**  trans-100.8170-153-40.50000115.7
352A31.2Very low32Very low87 Ų87134 Ų13472%0.71980%0.804SS**  trans-65.4175.7171.700000114.3
353P37.7Very low31.9Very low131 Ų131134.4 Ų134.485%0.85181%0.806SS**  -137.6169.2113.938.8-28.8000115.4
354S32.7Very low32Very low102 Ų102134.3 Ų134.371%0.71381%0.805SS**  trans-109.9175.7-173.8-50.90000114.2
355N30.6Very low32.4Very low163 Ų163135.5 Ų135.587%0.87281%0.805SS**  trans84.4135.4170.7-57.2-24.3000115.2
356Q30.8Very low32.9Very low196 Ų196139.9 Ų139.992%0.91681%0.81SS**  cis-156.2168.648.8-163.9165.721.300113.5
357R31.8Very low33.3Very low232 Ų232142.9 Ų142.988%0.87581%0.81SS**  trans-93145.7-179.1-64.1171.8164.6177.6-6.7113
358Q31.9Very low33.7Very low202 Ų202141 Ų14194%0.94481%0.806SS**  176.2159.9113.3-97.7176.7-12.400114.6
359A31.5Very low33.9Very low103 Ų103142.7 Ų142.785%0.85180%0.803SS**  trans-78.5159.1-159.800000118.9
360A29.2Very low34.3Very low98 Ų98148 Ų14881%0.8181%0.813SS**  trans-170.9125.113200000114.6
361N30.5Very low35.5Very low137 Ų137142.4 Ų142.473%0.73379%0.793SS**  trans35.7126.1148.5-75.511.8000126.4
362H31.5Very low36.4Very low163 Ų163143.8 Ų143.876%0.75579%0.789SS**  trans52.7120.8138.4-50.3-55000120.5
363S29.6Very low37.2Very low115 Ų115147.8 Ų147.880%0.80479%0.79SS**  -178.6153.374.3350000113.5
364A32.1Very low37.8Very low95 Ų95144.7 Ų144.779%0.78578%0.775SS**  trans36.1134.9160.300000123.5
365P41.1Very low38.5Very low118 Ų118146.1 Ų146.177%0.76677%0.771SS**  trans-110.8136.9161.337-25.7000113.4
366E43.3Very low39.4Very low186 Ų186142 Ų14287%0.86975%0.752SS**  trans-1365.9169.1-70.8-169.7159.400113.8
367E42.9Very low40.3Very low182 Ų182144 Ų14485%0.8575%0.751SS**SBendtrans-97.6-15.8-168.7-61.3-176.4-158.700114.9
368D42.7Very low40.9Very low137 Ų137135.5 Ų135.573%0.73374%0.736SS**Hα-helixtrans-84.2-14.8-175.4-80.1-34.9000115
369E43.3Very low41.4Very low159 Ų159129.7 Ų129.774%0.74372%0.718SS**Hα-helixtrans-77.4-31.5-176.2-169.6167.4-176.700112.6
370F39.9Very low41.9Very low186 Ų186129.4 Ų129.482%0.81671%0.709SS**Hα-helixtrans-72.1-35.3-177.6-164.6-104.5000112.9M372 F373F370-M372 VanDerWaalsContact C-N 3.33Å; F370-M372 PolarHBondContact O-N 3.01Å; F370-F373 PolarHBondContact O-N 2.84Å
371D50.4Low42.7Very low93 Ų93129.8 Ų129.850%0.49770%0.697SS.*Hα-helixtrans-76.3-21.6-178.3-157.735.7000112.7F373 A374 Q375D371-F373 VanDerWaalsContact C-N 3.31Å; D371-F373 PolarHBondContact O-N 3.24Å; D371-A374 PolarHBondContact O-N 3.08Å; D371-Q375 WeakPolarHBondContact O-CG 3.35Å; D371-Q375 PolarHBondContact OD2-NE2 3.36Å
372M50.3Low43.4Very low135 Ų135126 Ų12667%0.66569%0.685SS**Hα-helixtrans-68.3-28.4176.4-158.3178.7-57.900112.9F370 T376F370-M372 VanDerWaalsContact C-N 3.33Å; F370-M372 PolarHBondContact O-N 3.01Å; M372-T376 PolarHBondContact O-OG1 3.48Å
373F48.1Very low44Very low171 Ų171122.9 Ų122.975%0.7567%0.674SS**Hα-helixtrans-79-39.9176.2-108.1-92.2000112.7F370 D371 Q375 T376F370-F373 PolarHBondContact O-N 2.84Å; D371-F373 VanDerWaalsContact C-N 3.31Å; D371-F373 PolarHBondContact O-N 3.24Å; F373-Q375 VanDerWaalsContact C-N 3.32Å; F373-Q375 PolarHBondContact O-N 3.17Å; F373-T376 PolarHBondContact O-N 3.47Å
374A50Low44.8Very low65 Ų65124.1 Ų124.154%0.53767%0.667SS.*Hα-helixtrans-60.5-40.1-177.400000112.6D371 T376D371-A374 PolarHBondContact O-N 3.08Å; A374-T376 VanDerWaalsContact C-N 3.27Å; A374-T376 PolarHBondContact O-N 3.17Å
375Q48.3Very low45.5Very low132 Ų132128.5 Ų128.562%0.61766%0.663SS**G310 helixtrans-68.4-22.7-177.2-62.8176.828.700113.4D371 F373 R377 G378D371-Q375 WeakPolarHBondContact O-CG 3.35Å; D371-Q375 PolarHBondContact OD2-NE2 3.36Å; F373-Q375 VanDerWaalsContact C-N 3.32Å; F373-Q375 PolarHBondContact O-N 3.17Å; Q375-R377 VanDerWaalsContact C-N 3.32Å; Q375-R377 PolarHBondContact O-N 3.41Å; Q375-G378 PolarHBondContact O-N 3.35Å
376T48.9Very low45.7Very low77 Ų77130.8 Ų130.847%0.47266%0.661SS.*G310 helixtrans-71.1-22.5-176.1-61.30000113.3M372 F373 A374M372-T376 PolarHBondContact O-OG1 3.48Å; F373-T376 PolarHBondContact O-N 3.47Å; A374-T376 VanDerWaalsContact C-N 3.27Å; A374-T376 PolarHBondContact O-N 3.17Å
377R49.8Very low45.3Very low237 Ų237126.6 Ų126.689%0.89465%0.653SS**G310 helixtrans-92.5-9.4177.7-74.5-178.3168.3169.3-4.4114.4Q375Q375-R377 VanDerWaalsContact C-N 3.32Å; Q375-R377 PolarHBondContact O-N 3.41Å
378G43.8Very low44.8Very low55 Ų55126 Ų12657%0.56765%0.652SS**THydrogen-bonded Turntrans-84-31-169.700000116.8Q375Q375-G378 PolarHBondContact O-N 3.35Å
379S42.1Very low44.4Very low79 Ų79131 Ų13155%0.55266%0.66SS**SBendtrans-93.3-26.8-165.474.30000116L381 A382S379-L381 VanDerWaalsContact C-N 3.29Å; S379-L381 PolarHBondContact O-N 2.98Å; S379-A382 PolarHBondContact O-N 2.76Å; S379-A382 VanDerWaalsContact O-N 3.11Å
380S43.3Very low44Very low97 Ų97132.7 Ų132.768%0.67866%0.661SS**Hα-helixtrans-62.6-33.3-174.1-163.50000113.5
381L44.6Very low44.1Very low106 Ų106132.3 Ų132.356%0.55566%0.662SS**Hα-helixtrans-79-18.7-179.8-164.7142.4000113S379S379-L381 VanDerWaalsContact C-N 3.29Å; S379-L381 PolarHBondContact O-N 2.98Å
382A45.7Very low43.4Very low57 Ų57134.4 Ų134.447%0.47167%0.673SS.*Hα-helixtrans-79.6-40.6-178.100000112.8S379S379-A382 PolarHBondContact O-N 2.76Å; S379-A382 VanDerWaalsContact O-N 3.11Å
383D45.1Very low43Very low99 Ų99131.9 Ų131.953%0.52967%0.667SS.*Hα-helixtrans-82.5-24.8-178.4-78.6-47.2000113.7R385 K386D383-R385 PolarHBondContact O-N 3.4Å; D383-R385 VanDerWaalsContact O-N 3.16Å; D383-K386 PolarHBondContact O-N 2.66Å; D383-K386 VanDerWaalsContact O-N 3.15Å; D383-K386 IonicContact OD1-NZ 3.21Å; D383-K386 PolarHBondContact OD1-NZ 3.07Å
384Q45.7Very low42.5Very low141 Ų141126.7 Ų126.766%0.65966%0.661SS**G310 helixtrans-63.9-20.3174.7-145.3172.830.500112.8K386Q384-K386 VanDerWaalsContact C-N 3.29Å; Q384-K386 PolarHBondContact O-N 3.43Å
385R46.9Very low42.1Very low186 Ų186127.6 Ų127.670%0.70267%0.669SS**G310 helixtrans-78.2-2176.4-70.9177.5169.9172.1-2.5114.8D383D383-R385 PolarHBondContact O-N 3.4Å; D383-R385 VanDerWaalsContact O-N 3.16Å
386K44.1Very low41.9Very low166 Ų166126.4 Ų126.472%0.72267%0.67SS**G310 helixtrans-98.6-12.3178.5-71.6175.7-169.9147.30115D383 Q384D383-K386 PolarHBondContact O-N 2.66Å; D383-K386 VanDerWaalsContact O-N 3.15Å; D383-K386 IonicContact OD1-NZ 3.21Å; D383-K386 PolarHBondContact OD1-NZ 3.07Å; Q384-K386 VanDerWaalsContact C-N 3.29Å; Q384-K386 PolarHBondContact O-N 3.43Å
387S36.5Very low41.5Very low99 Ų99130.8 Ų130.869%0.69269%0.686SS**SBendtrans-102-13.7-177.462.20000114.9R389S387-R389 PolarHBondContact O-N 2.97Å
388M31.2Very low41.1Very low169 Ų169122 Ų12283%0.83367%0.669SS**  trans-75110.2173.9-78-175.617100111Y390M388-Y390 PolarHBondContact O-N 2.73Å
389R34.5Very low41.2Very low241 Ų241123.7 Ų123.791%0.90966%0.664SS**PPolyproline II helixtrans-68.7116.2168-161.6-173-147.81756.4108S387 E391S387-R389 PolarHBondContact O-N 2.97Å; R389-E391 PolarHBondContact O-N 2.79Å
390Y34.1Very low41.4Very low195 Ų195123 Ų12377%0.76566%0.664SS**PPolyproline II helixtrans-61.4125.2179.6-166.5-94.6000110.6M388 P393M388-Y390 PolarHBondContact O-N 2.73Å; Y390-P393 HydrophobicContact CE1-CG 4.15Å
391E42.6Very low41.4Very low179 Ų179120.2 Ų120.284%0.83665%0.65SS**PPolyproline II helixtrans-99.2162.1169-147.4169.8-151.500110.3R389R389-E391 PolarHBondContact O-N 2.79Å
392D36.7Very low41.8Very low137 Ų137116.6 Ų116.673%0.73364%0.635SS**PPolyproline II helixtrans-63.8147.3-155.6-160.245.8000114.9G394D392-G394 PolarHBondContact O-N 2.58Å
393P40.6Very low42Very low82 Ų82116 Ų11653%0.53262%0.624SS.*G310 helixtrans-64.38.1-172.8-24.435.6000118.2Y390 A395Y390-P393 HydrophobicContact CE1-CG 4.15Å; P393-A395 VanDerWaalsContact C-N 3.35Å; P393-A395 PolarHBondContact O-N 3.32Å
394G37.7Very low42.3Very low61 Ų61113.7 Ų113.763%0.62961%0.612SS**G310 helixtrans-73.5-14.2-174.400000116.2D392 V396D392-G394 PolarHBondContact O-N 2.58Å; G394-V396 PolarHBondContact O-N 3.44Å
395A43Very low42.5Very low84 Ų84112 Ų11269%0.69461%0.611SS**G310 helixtrans-78.6-11.9-170.600000115.6P393 E397P393-A395 VanDerWaalsContact C-N 3.35Å; P393-A395 PolarHBondContact O-N 3.32Å; A395-E397 PolarHBondContact O-N 3.38Å
396V42.9Very low42.4Very low107 Ų107108.1 Ų108.165%0.64860%0.596SS**Hα-helixtrans-76.3-21.9-169.1-171.80000113.1G394 G398G394-V396 PolarHBondContact O-N 3.44Å; V396-G398 VanDerWaalsContact C-N 3.35Å; V396-G398 PolarHBondContact O-N 3.08Å
397E41.2Very low42.5Very low170 Ų170104.9 Ų104.979%0.79459%0.586SS**Hα-helixtrans-71.2-27.6-174.1-158.5160-155.600113.1A395 G401A395-E397 PolarHBondContact O-N 3.38Å; E397-G401 PolarHBondContact O-N 3.46Å
398G41.3Very low43Very low53 Ų53107.1 Ų107.155%0.54659%0.586SS.*Hα-helixtrans-69-37.7178.800000114.5V396 G401 A402V396-G398 VanDerWaalsContact C-N 3.35Å; V396-G398 PolarHBondContact O-N 3.08Å; G398-G401 PolarHBondContact O-N 3.14Å; G398-A402 WeakPolarHBondContact O-CB 3.37Å; G398-A402 PolarHBondContact O-N 3.08Å
399L45.9Very low43.4Very low89 Ų89105 Ų10547%0.46658%0.582SS.*Hα-helixtrans-68.4-38.6-179-76.8164000112.2L403L399-L403 PolarHBondContact O-N 3.37Å
400A46.4Very low43.6Very low66 Ų6699.8 Ų99.855%0.54558%0.577SS.*Hα-helixtrans-65.8-46.2175.100000111.4D404A400-D404 WeakPolarHBondContact O-CB 3.5Å; A400-D404 PolarHBondContact O-N 2.9Å
401G42.7Very low43.8Very low37 Ų3793.9 Ų93.938%0.38158%0.576SS.*Hα-helixtrans-62.9-44.8178.600000113.3E397 G398 L403 D404 T405E397-G401 PolarHBondContact O-N 3.46Å; G398-G401 PolarHBondContact O-N 3.14Å; G401-L403 PolarHBondContact O-N 3.42Å; G401-D404 PolarHBondContact O-N 3.05Å; G401-T405 WeakPolarHBondContact O-CB 3.33Å; G401-T405 PolarHBondContact O-N 2.68Å; G401-T405 PolarHBondContact O-OG1 3.23Å
402A52Low43.1Very low30 Ų3089.9 Ų89.925%0.24857%0.573CS.*Hα-helixtrans-62.3-42.9-176.800000113R147 G398R147-A402 PolarHBondContact NH1-O 3.04Å; G398-A402 WeakPolarHBondContact O-CB 3.37Å; G398-A402 PolarHBondContact O-N 3.08Å
403L50.9Low43.2Very low46 Ų4691.5 Ų91.524%0.24158%0.58CS.*Hα-helixtrans-77-32.4-177.3-70.2167.3000113V100 L104 P105 L399 G401V100-L403 HydrophobicContact CG1-CD2 4.44Å; L104-L403 HydrophobicContact CD2-CB 4.08Å; L104-L403 HydrophobicContact CD2-CD1 3.96Å; L104-L403 HydrophobicContact CD2-CD2 3.99Å; L104-L403 HydrophobicContact CD2-CG 4.23Å; P105-L403 HydrophobicContact CG-CD1 4.17Å; L399-L403 PolarHBondContact O-N 3.37Å; G401-L403 PolarHBondContact O-N 3.42Å
404D50.9Low43Very low50 Ų5093.2 Ų93.227%0.26759%0.591SS.*Hα-helixtrans-76.3-33.4-179.1-143.171.7000112.4K106 A400 G401 R406 L407 Q408K106-D404 IonicContact NZ-OD1 3.76Å; K106-D404 PolarHBondContact NZ-OD1 3.36Å; A400-D404 WeakPolarHBondContact O-CB 3.5Å; A400-D404 PolarHBondContact O-N 2.9Å; G401-D404 PolarHBondContact O-N 3.05Å; D404-R406 VanDerWaalsContact C-N 3.27Å; D404-R406 PolarHBondContact O-N 3.07Å; D404-R406 VanDerWaalsContact O-N 3.15Å; D404-L407 PolarHBondContact O-N 3.47Å; D404-L407 VanDerWaalsContact O-N 3.09Å; D404-Q408 PolarHBondContact O-N 3.2Å; D404-Q408 PolarHBondContact OD2-NE2 3.31Å
405T49.4Very low42.8Very low105 Ų10595.2 Ų95.264%0.64460%0.596SS**Hα-helixtrans-60.8-27.3-175-57.10000114.2G401G401-T405 WeakPolarHBondContact O-CB 3.33Å; G401-T405 PolarHBondContact O-N 2.68Å; G401-T405 PolarHBondContact O-OG1 3.23Å
406R45.3Very low42.2Very low105 Ų10596.3 Ų96.340%0.39660%0.598SS.*Hα-helixtrans-87.9-26.7176.3-153.4-174.7-158.3143.814.7113.2Q92 E96 D143 D404Q92-R406 VanDerWaalsContact NE2-NH2 3.15Å; E96-R406 IonicContact OE1-CZ 3.69Å; E96-R406 IonicContact OE1-NE 3.75Å; E96-R406 IonicContact OE1-NH1 2.67Å; E96-R406 PolarHBondContact OE1-NH1 3.27Å; E96-R406 IonicContact OE1-NH2 3.21Å; E96-R406 WeakPolarHBondContact OE2-CD 3.06Å; E96-R406 IonicContact OE2-NE 2.64Å; E96-R406 IonicContact OE2-NH1 2.77Å; D143-R406 IonicContact OD2-CZ 2.74Å; D143-R406 IonicContact OD2-NH1 2.91Å; D143-R406 PolarHBondContact OD2-NH1 3.29Å; D143-R406 IonicContact OD2-NH2 3.51Å; D404-R406 VanDerWaalsContact C-N 3.27Å; D404-R406 PolarHBondContact O-N 3.07Å; D404-R406 VanDerWaalsContact O-N 3.15Å
407L47.4Very low41.9Very low98 Ų98101 Ų10151%0.51361%0.61SS.*Hα-helixtrans-82.4-16.1-174.2-72.4172000113.9L104 D404L104-L407 HydrophobicContact CD1-CD1 4.26Å; D404-L407 PolarHBondContact O-N 3.47Å; D404-L407 VanDerWaalsContact O-N 3.09Å
408Q46.3Very low41.9Very low146 Ų14698.9 Ų98.968%0.68261%0.611SS**THydrogen-bonded Turntrans-82.1-8.9177.4-64.1-168.821.600114.5D404 T410D404-Q408 PolarHBondContact O-N 3.2Å; D404-Q408 PolarHBondContact OD2-NE2 3.31Å; Q408-T410 VanDerWaalsContact C-N 3.34Å; Q408-T410 PolarHBondContact O-N 2.93Å
409V39.8Very low41.2Very low124 Ų12499.8 Ų99.875%0.75262%0.62SS**THydrogen-bonded Turntrans-79.6-13.7-174.6179.40000113.1
410T39.1Very low40.4Very low131 Ų131101.7 Ų101.780%0.80464%0.641SS**SBendtrans-114.454-17843.50000113.9Q408Q408-T410 VanDerWaalsContact C-N 3.34Å; Q408-T410 PolarHBondContact O-N 2.93Å
411G36.8Very low39.9Very low71 Ų71107.3 Ų107.373%0.73265%0.653SS**SBendtrans154.183.6154.700000118.4
412A29.3Very low39.4Very low95 Ų95113.2 Ų113.279%0.78568%0.676SS**  trans-166.9133.2145.400000112
413I37.8Very low38.6Very low172 Ų172116.9 Ų116.988%0.88270%0.7SS**  trans-102.1124.5154.7-69.1172.7000105.6
414P37.9Very low38.2Very low117 Ų117121.5 Ų121.576%0.7673%0.73SS**  -141.8167.6114.734.1-17.8000114.9
415S31.8Very low37.6Very low104 Ų104126 Ų12673%0.72775%0.753SS**  trans-84.4156.2-169.651.60000116.1
416S32Very low37.4Very low107 Ų107123.9 Ų123.975%0.74875%0.752SS**  trans102.3104.514076.40000121.5
417K35.5Very low37.3Very low206 Ų206125.4 Ų125.490%0.89677%0.769SS**  trans76.6154138.7-77.4-163.3173.5-177.90121
418P41.1Very low37.3Very low124 Ų124126.1 Ų126.181%0.80577%0.772SS**  trans-119.2165.1-14541.8-30.6000114.9
419G27.3Very low37.1Very low73 Ų73126 Ų12675%0.75378%0.776SS**  trans-168.1117.7171.700000115.9
420S29.8Very low37.3Very low129 Ų129129.8 Ų129.890%0.90278%0.777SS**  trans77.9149.3161.6-142.60000119.8
421K34.4Very low37.4Very low184 Ų184128.6 Ų128.680%0.877%0.772SS**  trans-109.5161.4-167.6-59.1171178.5178.40110.7
422N32.9Very low37.5Very low161 Ų161132.6 Ų132.686%0.86178%0.776SS**  trans173.992.3138.6-83.3-14000106.7
423S34.8Very low38Very low107 Ų107133 Ų13375%0.74877%0.773SS**  75.672.973.5-174.30000115.1
424T41.6Very low38Very low142 Ų142128.6 Ų128.687%0.87176%0.762SS**  trans-170.187144.631.30000110.2
425L40.3Very low38Very low144 Ų144130.8 Ų130.875%0.75477%0.768SS**  trans-161.561.8160-158.971000110.2I428L425-I428 HydrophobicContact CD1-CD1 3.91Å; L425-I428 HydrophobicContact CD1-CG1 4.45Å; L425-I428 HydrophobicContact CD2-CD1 4.2Å; L425-I428 HydrophobicContact CG-CD1 4.14Å; L425-I428 HydrophobicContact CG-CG1 4.48Å
426G43.5Very low38.2Very low61 Ų61132.5 Ų132.563%0.62977%0.774SS**  trans-89.6-5.6-175.900000115.4
427D44.1Very low38.2Very low138 Ų138136.2 Ų136.274%0.73878%0.78SS**SBendtrans-112.99.9-158.6-59.9-53.8000114.9
428I46.6Very low38Very low113 Ų113132.1 Ų132.158%0.57977%0.772SS**SBendtrans-104.6-36179.7-52.2-175.1000112.2L425 R430 C431L425-I428 HydrophobicContact CD1-CD1 3.91Å; L425-I428 HydrophobicContact CD1-CG1 4.45Å; L425-I428 HydrophobicContact CD2-CD1 4.2Å; L425-I428 HydrophobicContact CG-CD1 4.14Å; L425-I428 HydrophobicContact CG-CG1 4.48Å; I428-R430 PolarHBondContact O-N 2.94Å; I428-R430 VanDerWaalsContact O-N 3.16Å; I428-C431 PolarHBondContact O-N 3.44Å
429D42.1Very low37.5Very low143 Ų143135.2 Ų135.277%0.76578%0.775SS**THydrogen-bonded Turntrans-70.5-6.2177.4-89.1-41.5000114.5
430R43.7Very low38.3Very low204 Ų204136.3 Ų136.377%0.7777%0.769SS**THydrogen-bonded Turntrans-81.8-20.3177.6-171.8171.9-72.9-119.1-0.9113.4I428I428-R430 PolarHBondContact O-N 2.94Å; I428-R430 VanDerWaalsContact O-N 3.16Å
431C42.9Very low38.4Very low105 Ų105139.2 Ų139.271%0.70977%0.769SS**THydrogen-bonded Turntrans-88.9-6.7-174.5-670000114.5I428I428-C431 PolarHBondContact O-N 3.44Å
432L38.2Very low38.9Very low155 Ų155135.2 Ų135.281%0.81277%0.77SS**THydrogen-bonded Turntrans-108.315.4-180-67.8175.8000113.6
433S39.7Very low38.9Very low105 Ų105130.9 Ų130.973%0.73476%0.763SS**SBendtrans-12924.2-178.9-52.80000113.6
434A37.9Very low39.4Very low78 Ų78133.5 Ų133.565%0.64577%0.769SS**SBendtrans-113.74.7-169.800000115.8
435D38.6Very low39.2Very low163 Ų163138.4 Ų138.487%0.87277%0.771SS**SBendtrans-130.461.8178.5-85.1-44.8000112.2
436T34.9Very low39.6Very low140 Ų140140.6 Ų140.686%0.85978%0.778SS**  trans-156.683.9163.1-290000113.5
437E33.2Very low39.7Very low186 Ų186140.9 Ų140.987%0.86978%0.78SS**  trans176.7133.5156.4-102.3178.4166.900106.2
438T31.2Very low40.1Very low120 Ų120141.3 Ų141.374%0.73678%0.782SS**  cis-160.513918.917.50000110.9
439Q30.3Very low41.3Very low188 Ų188139.4 Ų139.488%0.87978%0.776SS**  167.3153.4128.6-92.2-97.3-71.900111.1
440P43.3Very low42.3Very low96 Ų96137.2 Ų137.262%0.62377%0.772SS**  trans-105.8145.5-158.838.4-31.7000114.1
441E32.4Very low43.6Very low190 Ų190135.1 Ų135.189%0.88877%0.771SS**  trans-147150.2150.7-92.2-52.6149.600109.4
442A44.1Very low45.1Very low101 Ų101134.8 Ų134.884%0.83576%0.759SS**  trans-81.5145.1-168.900000113.5
443G32.8Very low46.6Very low69 Ų69133.4 Ų133.471%0.71175%0.746SS**  trans170.6105.5171.500000112.7R445G443-R445 PolarHBondContact O-N 3.45Å
444D46Very low48.5Very low162 Ų162133.2 Ų133.287%0.86674%0.737SS**  trans-57.7130.3-177.2-60.3-58.3000112.9
445R37.7Very low50.5Low246 Ų246136.6 Ų136.693%0.92874%0.737SS**  trans-137.481.7159.1-74.7-165171-170.3-2.5109.5G443 G447G443-R445 PolarHBondContact O-N 3.45Å; R445-G447 PolarHBondContact O-N 3.37Å; R445-G447 VanDerWaalsContact O-N 3.11Å
446E49Very low52.3Low190 Ų190133.6 Ų133.689%0.88872%0.717SS**  trans-54.8112.6160.4-102163.9154.100108.7L448E446-L448 PolarHBondContact O-N 3.32Å
447G45.6Very low54.5Low66 Ų66131 Ų13168%0.6870%0.697SS**PPolyproline II helixtrans-71120.8169.700000108.3R445 T449R445-G447 PolarHBondContact O-N 3.37Å; R445-G447 VanDerWaalsContact O-N 3.11Å; G447-T449 PolarHBondContact O-N 3.3Å; G447-T449 VanDerWaalsContact O-N 3.16Å
448L52Low56.7Low147 Ų147127.5 Ų127.577%0.7768%0.681SS**PPolyproline II helixtrans-49.2122-177.8-67.3172000110.6E446E446-L448 PolarHBondContact O-N 3.32Å
449T72.1Confident58.8Low74 Ų74127.8 Ų127.845%0.45467%0.673SS.*PPolyproline II helixtrans-71.9152.5178.859.30000109.8G447 E451 E452 F453G447-T449 PolarHBondContact O-N 3.3Å; G447-T449 VanDerWaalsContact O-N 3.16Å; T449-E451 PolarHBondContact O-N 3.26Å; T449-E451 VanDerWaalsContact O-N 3.09Å; T449-E452 PolarHBondContact N-OE2 3.4Å; T449-E452 PolarHBondContact O-N 3.02Å; T449-E452 WeakPolarHBondContact OG1-CG 3.39Å; T449-E452 PolarHBondContact OG1-OE2 3.04Å; T449-F453 PolarHBondContact O-N 3.49Å
450S62.5Low60.9Low97 Ų97126.9 Ų126.968%0.67866%0.662SS**Hα-helixtrans-56.7-29.8-179.7-56.40000112.7E452 F453 D454S450-E452 PolarHBondContact O-N 3.47Å; S450-F453 PolarHBondContact O-N 2.91Å; S450-D454 PolarHBondContact O-N 2.92Å
451E70.8Confident62.3Low160 Ų160125.1 Ų125.175%0.74866%0.655SS**Hα-helixtrans-68.5-29.7177.7-61.4179.9148.400112.9T449 K455T449-E451 PolarHBondContact O-N 3.26Å; T449-E451 VanDerWaalsContact O-N 3.09Å; E451-K455 VanDerWaalsContact O-CB 3.28Å; E451-K455 WeakPolarHBondContact O-CB 3.43Å; E451-K455 PolarHBondContact O-N 3Å; E451-K455 VanDerWaalsContact O-N 3.1Å
452E74Confident64.2Low98 Ų98121.5 Ų121.546%0.45864%0.637SS.*Hα-helixtrans-75.3-35.2174.5-69170.3114.700112.1T449 S450 F456T449-E452 PolarHBondContact N-OE2 3.4Å; T449-E452 PolarHBondContact O-N 3.02Å; T449-E452 WeakPolarHBondContact OG1-CG 3.39Å; T449-E452 PolarHBondContact OG1-OE2 3.04Å; S450-E452 PolarHBondContact O-N 3.47Å; E452-F456 PolarHBondContact O-N 2.86Å
453F70.8Confident65.1Low126 Ų126121.4 Ų121.455%0.55363%0.625SS**Hα-helixtrans-68.2-44.3175.2-174.7-100.9000111.7T449 S450 K455 F456 L457T449-F453 PolarHBondContact O-N 3.49Å; S450-F453 PolarHBondContact O-N 2.91Å; F453-K455 VanDerWaalsContact C-N 3.33Å; F453-K455 PolarHBondContact O-N 3.19Å; F453-F456 WeakPolarHBondContact O-CB 3.4Å; F453-F456 PolarHBondContact O-N 3.02Å; F453-L457 HydrophobicContact CD1-CD1 4.07Å; F453-L457 HydrophobicContact CE1-CD1 3.64Å; F453-L457 HydrophobicContact CE1-CG 4.21Å; F453-L457 HydrophobicContact CZ-CD1 4.3Å; F453-L457 PolarHBondContact O-N 3.1Å; F453-L457 VanDerWaalsContact O-N 3.07Å
454D79.7Confident66.3Low101 Ų101121 Ų12154%0.5462%0.616SS.*Hα-helixtrans-63.5-39.9175.4-75.2-16.5000111.4S450 F456 L457 E458S450-D454 PolarHBondContact O-N 2.92Å; D454-F456 VanDerWaalsContact C-N 3.32Å; D454-F456 PolarHBondContact O-N 3.02Å; D454-L457 PolarHBondContact O-N 2.91Å; D454-E458 WeakPolarHBondContact O-CB 3.4Å; D454-E458 PolarHBondContact O-N 3.1Å
455K79.1Confident66.8Low149 Ų149119.8 Ų119.865%0.64861%0.609SS**Hα-helixtrans-61.6-37.4174-173-179.1177.1-170.70112.7E451 F453 E458 E459E451-K455 VanDerWaalsContact O-CB 3.28Å; E451-K455 WeakPolarHBondContact O-CB 3.43Å; E451-K455 PolarHBondContact O-N 3Å; E451-K455 VanDerWaalsContact O-N 3.1Å; F453-K455 VanDerWaalsContact C-N 3.33Å; F453-K455 PolarHBondContact O-N 3.19Å; K455-E458 PolarHBondContact O-N 3.49Å; K455-E459 WeakPolarHBondContact O-CB 3.18Å; K455-E459 PolarHBondContact O-N 3.18Å
456F77.3Confident67.6Low100 Ų100115.6 Ų115.644%0.43960%0.6SS.*Hα-helixtrans-66.9-38.1174.8175.5-95.9000112.5E452 F453 D454 R460E452-F456 PolarHBondContact O-N 2.86Å; F453-F456 WeakPolarHBondContact O-CB 3.4Å; F453-F456 PolarHBondContact O-N 3.02Å; D454-F456 VanDerWaalsContact C-N 3.32Å; D454-F456 PolarHBondContact O-N 3.02Å; F456-R460 HydrophobicContact CD1-CG 4.45Å; F456-R460 HydrophobicContact CE1-CG 4.13Å; F456-R460 HydrophobicContact CZ-CG 4.22Å; F456-R460 WeakPolarHBondContact O-CB 3.33Å; F456-R460 WeakPolarHBondContact O-CG 3.25Å; F456-R460 PolarHBondContact O-N 3.23Å
457L81.1Confident67.6Low86 Ų86112.8 Ų112.845%0.4559%0.589SS.*Hα-helixtrans-66.6-43.3174.1-68.9177.7000111.9F453 D454 E459 R460 A461F453-L457 HydrophobicContact CD1-CD1 4.07Å; F453-L457 HydrophobicContact CE1-CD1 3.64Å; F453-L457 HydrophobicContact CE1-CG 4.21Å; F453-L457 HydrophobicContact CZ-CD1 4.3Å; F453-L457 PolarHBondContact O-N 3.1Å; F453-L457 VanDerWaalsContact O-N 3.07Å; D454-L457 PolarHBondContact O-N 2.91Å; L457-E459 VanDerWaalsContact C-N 3.34Å; L457-E459 PolarHBondContact O-N 2.96Å; L457-R460 PolarHBondContact O-N 3.32Å; L457-A461 WeakPolarHBondContact O-CB 3.42Å; L457-A461 PolarHBondContact O-N 3.36Å
458E77.9Confident67.5Low111 Ų111114.7 Ų114.752%0.51959%0.59SS.*Hα-helixtrans-60.6-40.3175.6-177.181.9-150.300111.9D454 K455 A461 K462D454-E458 WeakPolarHBondContact O-CB 3.4Å; D454-E458 PolarHBondContact O-N 3.1Å; K455-E458 PolarHBondContact O-N 3.49Å; E458-A461 PolarHBondContact O-N 2.79Å; E458-K462 PolarHBondContact O-N 2.86Å; E458-K462 VanDerWaalsContact O-N 3.12Å; E458-K462 WeakPolarHBondContact OE1-CE 3.3Å; E458-K462 IonicContact OE1-NZ 3.57Å; E458-K462 PolarHBondContact OE1-NZ 3.06Å
459E76.4Confident67.1Low126 Ų126113.8 Ų113.859%0.58960%0.596SS**Hα-helixtrans-69.6-41.9176.5-171.6167.4-162.300112K455 L457 A461 K462 V463K455-E459 WeakPolarHBondContact O-CB 3.18Å; K455-E459 PolarHBondContact O-N 3.18Å; L457-E459 VanDerWaalsContact C-N 3.34Å; L457-E459 PolarHBondContact O-N 2.96Å; E459-A461 VanDerWaalsContact C-N 3.32Å; E459-A461 PolarHBondContact O-N 3.43Å; E459-K462 PolarHBondContact O-N 2.88Å; E459-V463 WeakPolarHBondContact O-CG2 3.41Å; E459-V463 PolarHBondContact O-N 3.08Å; E459-V463 VanDerWaalsContact O-N 3.17Å
460R74.6Confident65.4Low170 Ų170116 Ų11664%0.64261%0.609SS**Hα-helixtrans-60.4-39.2172.2-77.5-72.2-166.7111.30112.6F456 L457F456-R460 HydrophobicContact CD1-CG 4.45Å; F456-R460 HydrophobicContact CE1-CG 4.13Å; F456-R460 HydrophobicContact CZ-CG 4.22Å; F456-R460 WeakPolarHBondContact O-CB 3.33Å; F456-R460 WeakPolarHBondContact O-CG 3.25Å; F456-R460 PolarHBondContact O-N 3.23Å; L457-R460 PolarHBondContact O-N 3.32Å
461A73.3Confident64.3Low58 Ų58119.4 Ų119.448%0.47961%0.614SS.*Hα-helixtrans-64.8-45.2176.800000111.6L457 E458 E459 V463 A464L457-A461 WeakPolarHBondContact O-CB 3.42Å; L457-A461 PolarHBondContact O-N 3.36Å; E458-A461 PolarHBondContact O-N 2.79Å; E459-A461 VanDerWaalsContact C-N 3.32Å; E459-A461 PolarHBondContact O-N 3.43Å; A461-V463 VanDerWaalsContact C-N 3.32Å; A461-V463 PolarHBondContact O-N 2.9Å; A461-A464 WeakPolarHBondContact O-CB 3.27Å; A461-A464 PolarHBondContact O-N 3.31Å; A461-A464 VanDerWaalsContact O-N 3.14Å
462K71.9Confident62.6Low114 Ų114116.8 Ų116.850%0.49661%0.613SS.*Hα-helixtrans-64-31.2178.6-78.7170.8-178.9141.70114.2E458 E459 A464 D465E458-K462 PolarHBondContact O-N 2.86Å; E458-K462 VanDerWaalsContact O-N 3.12Å; E458-K462 WeakPolarHBondContact OE1-CE 3.3Å; E458-K462 IonicContact OE1-NZ 3.57Å; E458-K462 PolarHBondContact OE1-NZ 3.06Å; E459-K462 PolarHBondContact O-N 2.88Å; K462-A464 VanDerWaalsContact C-N 3.29Å; K462-A464 PolarHBondContact O-N 3.19Å; K462-D465 PolarHBondContact O-N 3.4Å
463V63Low61.1Low99 Ų99120.1 Ų120.160%0.663%0.634SS**Hα-helixtrans-69.8-26.6176.3173.10000112.1E459 A461 D465 H466E459-V463 WeakPolarHBondContact O-CG2 3.41Å; E459-V463 PolarHBondContact O-N 3.08Å; E459-V463 VanDerWaalsContact O-N 3.17Å; A461-V463 VanDerWaalsContact C-N 3.32Å; A461-V463 PolarHBondContact O-N 2.9Å; V463-D465 VanDerWaalsContact C-N 3.29Å; V463-D465 PolarHBondContact O-N 3.11Å; V463-H466 PolarHBondContact O-N 2.75Å
464A57.3Low60Low61 Ų61119.7 Ų119.750%0.50464%0.644SS.*Hα-helixtrans-68.1-27.2176.600000113.2A461 K462 H466A461-A464 WeakPolarHBondContact O-CB 3.27Å; A461-A464 PolarHBondContact O-N 3.31Å; A461-A464 VanDerWaalsContact O-N 3.14Å; K462-A464 VanDerWaalsContact C-N 3.29Å; K462-A464 PolarHBondContact O-N 3.19Å; A464-H466 PolarHBondContact O-N 2.87Å
465D56.9Low58.4Low136 Ų136120.3 Ų120.373%0.72765%0.653SS**THydrogen-bonded Turntrans-78.3-0.6176.6-74.9-30.8000113.7K462 V463K462-D465 PolarHBondContact O-N 3.4Å; V463-D465 VanDerWaalsContact C-N 3.29Å; V463-D465 PolarHBondContact O-N 3.11Å
466H54Low56.3Low159 Ų159119.7 Ų119.774%0.73666%0.661SS**THydrogen-bonded Turntrans-119.429.3-174.4-68.7-1.2000113.7V463 A464 P468V463-H466 PolarHBondContact O-N 2.75Å; A464-H466 PolarHBondContact O-N 2.87Å; H466-P468 WeakPolarHBondContact O-CD 3.45Å
467I49.8Very low54.3Low130 Ų130119.6 Ų119.667%0.66767%0.673SS**  trans-77.5123.1171.2-55.8172.2000109.7S469I467-S469 PolarHBondContact O-N 2.68Å
468P43.5Very low52.1Low107 Ų107120.2 Ų120.270%0.69569%0.685SS**  trans-66.3122.6178-20.232.9000112.3H466 T470H466-P468 WeakPolarHBondContact O-CD 3.45Å; P468-T470 PolarHBondContact O-N 2.93Å
469S43.7Very low50.1Low127 Ų127126 Ų12689%0.88870%0.702SS**  trans-76.1111.5171.5-75.90000111.6I467I467-S469 PolarHBondContact O-N 2.68Å
470T36.5Very low48.5Very low121 Ų121125.2 Ų125.274%0.74271%0.708SS**  trans-105101.1172.855.50000112.6P468P468-T470 PolarHBondContact O-N 2.93Å
471H39.4Very low47.1Very low168 Ų168122.4 Ų122.478%0.77871%0.711SS**  trans59.589.8147.5-65-68.9000121.8
472S35Very low45.5Very low105 Ų105125.6 Ų125.673%0.73473%0.727SS**  34.2116.7116.660.10000121.2
473L42.3Very low43.9Very low169 Ų169129.5 Ų129.589%0.88575%0.747SS**  trans-73.3164.1162.5-74.5158.2000114
474P46.8Very low42.6Very low117 Ų117130.5 Ų130.576%0.7676%0.758SS**  trans-127.4168.6131.222.6-4.1000113.9
475P47.6Very low41.5Very low114 Ų114132.3 Ų132.374%0.7477%0.773SS**  trans-119.5-173.1-150.238.6-25.4000116.9
476V33.5Very low40.5Very low135 Ų135137.7 Ų137.782%0.81878%0.783SS**  trans85.4137.2169.8-172.50000113.1
477S34.8Very low40.1Very low99 Ų99135.8 Ų135.869%0.69279%0.785SS**  cis-150153.225.3-151.70000117.2
478S36.3Very low39.3Very low98 Ų98139 Ų13969%0.68580%0.797SS**  trans24.7118.1143.462.70000122.8
479R35.5Very low38.8Very low234 Ų234142.2 Ų142.288%0.88380%0.803SS**PPolyproline II helixtrans-56.7136.7155.3173.1-174.6-172.5-176.56.7113.3
480P42.8Very low38.4Very low109 Ų109141.8 Ų141.871%0.70880%0.8SS**PPolyproline II helixtrans-83.9155.6166.631.8-30.7000113.1
481P45.8Very low38.5Very low111 Ų111141.1 Ų141.172%0.72180%0.8SS**PPolyproline II helixtrans-83.7166.4-173.135-37000113.8
482P38.8Very low38.3Very low124 Ų124141 Ų14181%0.80580%0.8SS**PPolyproline II helixtrans-72139.8175.931-35000111.8
483Q38.1Very low38.5Very low197 Ų197143.8 Ų143.892%0.92181%0.806SS**PPolyproline II helixtrans-101.3143167.3-72-172.1-10.800110.7
484S37.2Very low38.6Very low119 Ų119144.2 Ų144.283%0.83280%0.804SS**  trans-131.5115.4-179.5450000110.6
485A33.1Very low38.2Very low99 Ų99145.3 Ų145.382%0.81880%0.802SS**  trans-166.487.716500000113.7
486R36.7Very low37.5Very low249 Ų249149.6 Ų149.694%0.9481%0.81SS**  trans52.3167.9132-91-166.3172.5178-1.4121.3
487P43.9Very low37.8Very low119 Ų119149 Ų14977%0.77381%0.811SS**  trans-99.7164.8-137.239.6-38.3000114.5
488Q34.4Very low38Very low197 Ų197156 Ų15692%0.92184%0.84SS**  trans-139136.9160.2-149.8168.7-5.700110.2
489E33.2Very low38Very low176 Ų176158.9 Ų158.982%0.82285%0.848SS**  trans-82.5164.7-173.2-70.2170.399.600113.7
490S35.5Very low38.2Very low118 Ų118154.9 Ų154.983%0.82585%0.846SS**  trans66.7117.414966.80000119.2
491S37.2Very low37.9Very low106 Ų106157.5 Ų157.574%0.74185%0.854SS**  134.493.6128.9-1750000112.8
492H36.2Very low37.4Very low166 Ų166160.2 Ų160.277%0.76986%0.861SS**  trans-16739.6137.2-117.6-77.6000114.9Q494H492-Q494 PolarHBondContact O-N 3.1Å; H492-Q494 VanDerWaalsContact O-N 3.1Å
493D39.3Very low37.4Very low164 Ų164162.5 Ų162.588%0.87787%0.865SS**  trans-77.187.6161.9-80.8-50.1000109.8
494Q44.6Very low37.3Very low177 Ų177160.2 Ų160.283%0.82786%0.861SS**  trans-179.791.9157.2-106.6163.661.800111.3H492H492-Q494 PolarHBondContact O-N 3.1Å; H492-Q494 VanDerWaalsContact O-N 3.1Å
495L36.8Very low37.3Very low140 Ų140163.1 Ų163.173%0.73386%0.863SS**  trans-159.1147.3153.7-99.1132.6000107
496F33.9Very low37.7Very low204 Ų204168.1 Ų168.190%0.89587%0.867SS**  trans73.765-171-47.1-69.2000116.1
497S39.5Very low37.7Very low122 Ų122161.3 Ų161.385%0.85386%0.861SS**  trans-149101.9143.9-165.20000109.7
498L38.3Very low37.2Very low247 Ų247165.2 Ų165.2100%1.29387%0.869SS**  trans-169.80158-106.8169.7000109

Retrieved 498 of 498 residues in 1841.7 ms (Link to these results)

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