A0A087XHC8_POEFO Loading...

Acyl-CoA binding domain containing 4

Acyl-CoA binding protein which acts as the peroxisome receptor for pexophagy but is dispensable for aggrephagy and nonselective autophagy. Binds medium- and long-chain acyl-CoA esters.

AlphaFold DB , UniProt , Accession A0A087XHC8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 420 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
1M40.7Very low47.1Very low228 Ų228125.9 Ų125.9100%1.12375%0.751SS**  01160-54-46.1-169.800108.4
2P48.1Very low50.3Low127 Ų127122.1 Ų122.183%0.82572%0.724SS**  trans-69.7133.4160.530.6-30000107.9L4P2-L4 PolarHBondContact O-N 2.92Å
3V44.7Very low53Low138 Ų138116.5 Ų116.584%0.83669%0.686SS**  trans-69.5123.8171.4175.60000107.2A5V3-A5 VanDerWaalsContact C-N 3.32Å; V3-A5 PolarHBondContact O-N 3.44Å
4L45.9Very low55.7Low153 Ų153115.5 Ų115.580%0.80167%0.671SS**  trans-66.197.9167.8-117.2160.4000106.8P2 M6P2-L4 PolarHBondContact O-N 2.92Å; L4-M6 PolarHBondContact O-N 3.17Å; L4-M6 VanDerWaalsContact O-N 3.13Å
5A43.2Very low57.9Low81 Ų81117.3 Ų117.367%0.66966%0.662SS**  trans-57119.2166.400000106.6V3 A7V3-A5 VanDerWaalsContact C-N 3.32Å; V3-A5 PolarHBondContact O-N 3.44Å; A5-A7 PolarHBondContact O-N 3.18Å
6M42.8Very low59.9Low179 Ų179113 Ų11388%0.88263%0.632SS**  trans-62.2106170-65.1-62-178.600106.1L4 E8L4-M6 PolarHBondContact O-N 3.17Å; L4-M6 VanDerWaalsContact O-N 3.13Å; M6-E8 PolarHBondContact O-N 3.11Å; M6-E8 VanDerWaalsContact O-N 3.11Å
7A43.8Very low61.9Low86 Ų86106.6 Ų106.671%0.71160%0.596SS**  trans-60.8115.7162.600000105.8A5 P9A5-A7 PolarHBondContact O-N 3.18Å; A7-P9 VanDerWaalsContact O-N 3.09Å
8E46.8Very low63.6Low156 Ų156105.6 Ų105.673%0.72959%0.586SS**  trans-37.9119.5157.5-97.5-71.610800106.9M6 A10M6-E8 PolarHBondContact O-N 3.11Å; M6-E8 VanDerWaalsContact O-N 3.11Å; E8-A10 WeakPolarHBondContact O-CA 3.5Å; E8-A10 PolarHBondContact O-N 3.49Å
9P49Very low65Low100 Ų100100.7 Ų100.765%0.64956%0.561SS**  trans-62.6105.1-162.923.8-33.6000107.9A7 V11A7-P9 VanDerWaalsContact O-N 3.09Å; P9-V11 WeakPolarHBondContact O-CA 3.36Å; P9-V11 WeakPolarHBondContact O-CG2 3.43Å; P9-V11 PolarHBondContact O-N 3.04Å
10A51Low66.3Low94 Ų9495.7 Ų95.778%0.77753%0.533SS*.  trans-42.7100.2-159.600000110.2E8 D12E8-A10 WeakPolarHBondContact O-CA 3.5Å; E8-A10 PolarHBondContact O-N 3.49Å; A10-D12 PolarHBondContact O-N 3.37Å
11V62Low67.5Low43 Ų4391.3 Ų91.326%0.26151%0.509SS..  trans-65.5135.1-154.4174.30000107.7P9 H13P9-V11 WeakPolarHBondContact O-CA 3.36Å; P9-V11 WeakPolarHBondContact O-CG2 3.43Å; P9-V11 PolarHBondContact O-N 3.04Å; V11-H13 PolarHBondContact O-N 2.94Å
12D85.2Confident69.8Low80 Ų8083.3 Ų83.343%0.42847%0.471SS..  trans-67.945.6-178.6-111.4-4.2000111A10 Q14 R15 R16A10-D12 PolarHBondContact O-N 3.37Å; D12-Q14 VanDerWaalsContact C-N 3.3Å; D12-Q14 PolarHBondContact O-N 3.17Å; D12-R15 HydrophobicContact CB-CB 4.01Å; D12-R15 CarbonylContact O-C 3.59Å; D12-R15 WeakPolarHBondContact O-CA 3.29Å; D12-R15 WeakPolarHBondContact O-CB 3.44Å; D12-R15 PolarHBondContact O-N 3.47Å; D12-R15 WeakPolarHBondContact OD2-CD 3.19Å; D12-R15 IonicContact OD2-CZ 3.72Å; D12-R15 IonicContact OD2-NE 3.67Å; D12-R15 IonicContact OD2-NH1 2.81Å; D12-R15 PolarHBondContact OD2-NH1 3.39Å; D12-R16 WeakPolarHBondContact O-CB 3.4Å; D12-R16 WeakPolarHBondContact O-CG 3.48Å; D12-R16 PolarHBondContact O-N 2.95Å
13H86.5Confident71.7Confident49 Ų4977.2 Ų77.223%0.22743%0.431CS..Hα-helixtrans-53.6-45.2-174-73.3-58.4000111.1V11 R15 R16 F17 E83 M86V11-H13 PolarHBondContact O-N 2.94Å; H13-R15 VanDerWaalsContact C-N 3.34Å; H13-R15 PolarHBondContact O-N 2.96Å; H13-R16 PolarHBondContact O-N 3.39Å; H13-F17 WeakPolarHBondContact O-CB 3.3Å; H13-F17 PolarHBondContact O-N 2.82Å; H13-E83 IonicContact CD2-OE1 2.95Å; H13-M86 HydrophobicContact CB-CB 4.26Å
14Q89.8Confident73.8Confident103 Ų10373.3 Ų73.348%0.48141%0.405SS..Hα-helixtrans-60.7-39.3174.6175.958.725.900112.7D12 Q18 M86D12-Q14 VanDerWaalsContact C-N 3.3Å; D12-Q14 PolarHBondContact O-N 3.17Å; Q14-Q18 VanDerWaalsContact O-CB 3.3Å; Q14-Q18 WeakPolarHBondContact O-CB 3.43Å; Q14-Q18 PolarHBondContact O-N 3.07Å; Q14-M86 HydrophobicContact CB-SD 4.34Å; Q14-M86 PolarHBondContact OE1-SD 3.35Å; Q14-M86 VanDerWaalsContact OE1-SD 3.37Å
15R89.9Confident75.7Confident142 Ų14272.6 Ų72.654%0.53640%0.397SS..Hα-helixtrans-75.5-42.6-179.3-174.2-169.4171.7-167.7-6.6111.4D12 H13 Q18 A19 V123D12-R15 HydrophobicContact CB-CB 4.01Å; D12-R15 CarbonylContact O-C 3.59Å; D12-R15 WeakPolarHBondContact O-CA 3.29Å; D12-R15 WeakPolarHBondContact O-CB 3.44Å; D12-R15 PolarHBondContact O-N 3.47Å; D12-R15 WeakPolarHBondContact OD2-CD 3.19Å; D12-R15 IonicContact OD2-CZ 3.72Å; D12-R15 IonicContact OD2-NE 3.67Å; D12-R15 IonicContact OD2-NH1 2.81Å; D12-R15 PolarHBondContact OD2-NH1 3.39Å; H13-R15 VanDerWaalsContact C-N 3.34Å; H13-R15 PolarHBondContact O-N 2.96Å; R15-Q18 PolarHBondContact O-N 2.95Å; R15-A19 WeakPolarHBondContact O-CB 3.48Å; R15-A19 PolarHBondContact O-N 3.1Å; R15-V123 HydrophobicContact CG-CG1 3.89Å
16R89.9Confident77.7Confident49 Ų4973.9 Ų73.919%0.18539%0.388CS..Hα-helixtrans-62-42.8173.4-71.1178.5162.5-177.6-4.9110.9D12 H13 A20 V90 V123 I124 D125D12-R16 WeakPolarHBondContact O-CB 3.4Å; D12-R16 WeakPolarHBondContact O-CG 3.48Å; D12-R16 PolarHBondContact O-N 2.95Å; H13-R16 PolarHBondContact O-N 3.39Å; R16-A20 WeakPolarHBondContact O-CB 3.41Å; R16-A20 PolarHBondContact O-N 3.47Å; R16-A20 VanDerWaalsContact O-N 3.08Å; R16-V90 HydrophobicContact CB-CG2 3.91Å; R16-V123 HydrophobicContact CG-CG1 3.87Å; R16-V123 WeakPolarHBondContact CG-O 3.39Å; R16-V123 PolarHBondContact NE-O 3.3Å; R16-I124 HydrophobicContact CB-CD1 4.28Å; R16-I124 HydrophobicContact CB-CG1 3.85Å; R16-I124 HydrophobicContact CG-CG1 3.63Å; R16-D125 IonicContact CZ-OD2 3.99Å; R16-D125 IonicContact NH2-OD2 3.3Å; R16-D125 PolarHBondContact NH2-OD2 3.18Å
17F93.1Very high79.6Confident4 Ų467.5 Ų67.52%0.01836%0.357CS..Hα-helixtrans-64.8-49173.3172.5-107.3000112.4H13 A19 A20 V21 Y47 A50 V51 M86 Y89H13-F17 WeakPolarHBondContact O-CB 3.3Å; H13-F17 PolarHBondContact O-N 2.82Å; F17-A19 VanDerWaalsContact C-N 3.32Å; F17-A19 PolarHBondContact O-N 3.32Å; F17-A20 WeakPolarHBondContact O-CB 3.01Å; F17-A20 PolarHBondContact O-N 3.28Å; F17-V21 HydrophobicContact CD1-CG2 4.39Å; F17-V21 HydrophobicContact CD2-CG2 4.12Å; F17-V21 HydrophobicContact CE1-CG2 4.04Å; F17-V21 HydrophobicContact CE2-CG2 3.74Å; F17-V21 HydrophobicContact CG-CG2 4.44Å; F17-V21 HydrophobicContact CZ-CG2 3.7Å; F17-V21 WeakPolarHBondContact O-CG2 3.36Å; F17-V21 PolarHBondContact O-N 2.77Å; F17-Y47 HydrophobicContact CE2-CD2 4.21Å; F17-Y47 AromaticContact CZ-CD2 3.62Å; F17-Y47 HydrophobicContact CZ-CD2 3.62Å; F17-Y47 HydrophobicContact CZ-CE2 4.17Å; F17-Y47 HydrophobicContact CZ-CG 4.49Å; F17-A50 HydrophobicContact CE1-CB 4.06Å; F17-A50 HydrophobicContact CE2-CB 3.81Å; F17-A50 HydrophobicContact CZ-CB 3.55Å; F17-V51 HydrophobicContact CE1-CG2 4.08Å; F17-V51 HydrophobicContact CZ-CG2 4.06Å; F17-M86 HydrophobicContact CB-CB 3.9Å; F17-M86 HydrophobicContact CB-CG 3.95Å; F17-M86 HydrophobicContact CD1-CG 3.93Å; F17-M86 HydrophobicContact CD2-CB 4.34Å; F17-M86 HydrophobicContact CD2-CG 4.14Å; F17-M86 HydrophobicContact CE1-CG 4.45Å; F17-M86 HydrophobicContact CG-CB 4.11Å; F17-M86 HydrophobicContact CG-CG 3.75Å; F17-Y89 AromaticContact CD2-CD1 3.56Å; F17-Y89 HydrophobicContact CD2-CD1 3.56Å; F17-Y89 HydrophobicContact CD2-CD2 4.4Å; F17-Y89 HydrophobicContact CD2-CE1 4.12Å; F17-Y89 AromaticContact CD2-CG 3.72Å; F17-Y89 HydrophobicContact CD2-CG 3.72Å; F17-Y89 AromaticContact CE2-CD1 3.85Å; F17-Y89 HydrophobicContact CE2-CD1 3.85Å; F17-Y89 AromaticContact CE2-CD2 3.92Å; F17-Y89 HydrophobicContact CE2-CD2 3.92Å; F17-Y89 HydrophobicContact CE2-CE1 4.17Å; F17-Y89 HydrophobicContact CE2-CE2 4.25Å; F17-Y89 AromaticContact CE2-CG 3.7Å; F17-Y89 HydrophobicContact CE2-CG 3.7Å
18Q92.1Very high81.3Confident88 Ų8866.3 Ų66.341%0.41134%0.342SS..Hα-helixtrans-59.7-43.7178.3-175.761.456.400111.3Q14 R15 A20 V21 D22Q14-Q18 VanDerWaalsContact O-CB 3.3Å; Q14-Q18 WeakPolarHBondContact O-CB 3.43Å; Q14-Q18 PolarHBondContact O-N 3.07Å; R15-Q18 PolarHBondContact O-N 2.95Å; Q18-A20 VanDerWaalsContact C-N 3.27Å; Q18-A20 PolarHBondContact O-N 3.26Å; Q18-V21 PolarHBondContact O-N 2.91Å; Q18-D22 PolarHBondContact NE2-OD1 3.32Å; Q18-D22 VanDerWaalsContact O-CB 3.26Å; Q18-D22 WeakPolarHBondContact O-CB 3.46Å; Q18-D22 PolarHBondContact O-N 3Å
19A90.3Very high82.7Confident14 Ų1465.4 Ų65.412%0.11634%0.336CS..Hα-helixtrans-58.6-38.1173.100000112.2R15 F17 D22 V23 L120 V123R15-A19 WeakPolarHBondContact O-CB 3.48Å; R15-A19 PolarHBondContact O-N 3.1Å; F17-A19 VanDerWaalsContact C-N 3.32Å; F17-A19 PolarHBondContact O-N 3.32Å; A19-D22 WeakPolarHBondContact O-CB 3.45Å; A19-D22 PolarHBondContact O-N 3.08Å; A19-V23 WeakPolarHBondContact O-CG2 3.46Å; A19-V23 PolarHBondContact O-N 2.87Å; A19-L120 HydrophobicContact CB-CD2 3.87Å; A19-V123 HydrophobicContact CB-CB 4.4Å; A19-V123 HydrophobicContact CB-CG1 4.4Å; A19-V123 HydrophobicContact CB-CG2 4.4Å
20A90.6Very high83.7Confident0 Ų067.1 Ų67.10%034%0.339CS..Hα-helixtrans-72.9-41.7-178.100000112.2R16 F17 Q18 D22 V23 I24 Y89 V90 M93 L120R16-A20 WeakPolarHBondContact O-CB 3.41Å; R16-A20 PolarHBondContact O-N 3.47Å; R16-A20 VanDerWaalsContact O-N 3.08Å; F17-A20 WeakPolarHBondContact O-CB 3.01Å; F17-A20 PolarHBondContact O-N 3.28Å; Q18-A20 VanDerWaalsContact C-N 3.27Å; Q18-A20 PolarHBondContact O-N 3.26Å; A20-D22 VanDerWaalsContact C-N 3.34Å; A20-V23 PolarHBondContact O-N 3Å; A20-I24 PolarHBondContact O-N 3.06Å; A20-Y89 HydrophobicContact CB-CD1 3.92Å; A20-Y89 HydrophobicContact CB-CE1 3.62Å; A20-V90 HydrophobicContact CB-CG2 4.48Å; A20-M93 HydrophobicContact CB-CE 4.02Å; A20-L120 HydrophobicContact CB-CD2 3.87Å
21V92.1Very high84.6Confident4 Ų463.4 Ų63.42%0.02431%0.311CS..Hα-helixtrans-60.1-45.2171171.60000110.6F17 Q18 V23 I24 H25 Y47 Y89F17-V21 HydrophobicContact CD1-CG2 4.39Å; F17-V21 HydrophobicContact CD2-CG2 4.12Å; F17-V21 HydrophobicContact CE1-CG2 4.04Å; F17-V21 HydrophobicContact CE2-CG2 3.74Å; F17-V21 HydrophobicContact CG-CG2 4.44Å; F17-V21 HydrophobicContact CZ-CG2 3.7Å; F17-V21 WeakPolarHBondContact O-CG2 3.36Å; F17-V21 PolarHBondContact O-N 2.77Å; Q18-V21 PolarHBondContact O-N 2.91Å; V21-V23 VanDerWaalsContact C-N 3.26Å; V21-V23 PolarHBondContact O-N 3.15Å; V21-I24 PolarHBondContact O-N 3.48Å; V21-H25 WeakPolarHBondContact CG1-CE1 3.48Å; V21-H25 PolarHBondContact O-N 2.98Å; V21-H25 PolarHBondContact O-ND1 3.37Å; V21-Y47 HydrophobicContact CG1-CD2 4.48Å; V21-Y47 HydrophobicContact CG1-CE2 3.98Å; V21-Y47 HydrophobicContact CG2-CD2 3.75Å; V21-Y47 HydrophobicContact CG2-CE2 3.94Å; V21-Y89 HydrophobicContact CG2-CE1 3.87Å
22D90.1Very high85.1Confident59 Ų5965.4 Ų65.432%0.31633%0.326SS..Hα-helixtrans-57.6-36.2176-101.852.1000113Q18 A19 A20 K26Q18-D22 PolarHBondContact NE2-OD1 3.32Å; Q18-D22 VanDerWaalsContact O-CB 3.26Å; Q18-D22 WeakPolarHBondContact O-CB 3.46Å; Q18-D22 PolarHBondContact O-N 3Å; A19-D22 WeakPolarHBondContact O-CB 3.45Å; A19-D22 PolarHBondContact O-N 3.08Å; A20-D22 VanDerWaalsContact C-N 3.34Å; D22-K26 WeakPolarHBondContact O-CD 3.41Å; D22-K26 VanDerWaalsContact O-CE 3.26Å; D22-K26 WeakPolarHBondContact O-CE 3.38Å; D22-K26 WeakPolarHBondContact O-CG 3.26Å; D22-K26 PolarHBondContact O-N 2.89Å; D22-K26 IonicContact OD2-NZ 3.43Å; D22-K26 PolarHBondContact OD2-NZ 3.09Å
23V87.4Confident84.8Confident0 Ų063 Ų630%031%0.312CS..Hα-helixtrans-75.3-47.1176.3172.30000111.3A19 A20 V21 H25 K26 L27 H116 F117 L120A19-V23 WeakPolarHBondContact O-CG2 3.46Å; A19-V23 PolarHBondContact O-N 2.87Å; A20-V23 PolarHBondContact O-N 3Å; V21-V23 VanDerWaalsContact C-N 3.26Å; V21-V23 PolarHBondContact O-N 3.15Å; V23-H25 PolarHBondContact O-N 3.43Å; V23-K26 CarbonylContact O-C 3.57Å; V23-K26 WeakPolarHBondContact O-CA 3.27Å; V23-K26 PolarHBondContact O-N 2.83Å; V23-L27 HydrophobicContact CG1-CD2 4.2Å; V23-L27 HydrophobicContact CG1-CG 4.39Å; V23-L27 WeakPolarHBondContact O-CG 3.45Å; V23-L27 PolarHBondContact O-N 2.88Å; V23-H116 WeakPolarHBondContact CG1-O 3.39Å; V23-H116 WeakPolarHBondContact CG2-O 3.3Å; V23-F117 HydrophobicContact CG1-CD1 3.94Å; V23-F117 HydrophobicContact CG1-CD2 4.45Å; V23-F117 HydrophobicContact CG1-CE1 4.02Å; V23-F117 HydrophobicContact CG1-CG 4.16Å; V23-F117 HydrophobicContact CG1-CZ 4.31Å; V23-L120 HydrophobicContact CB-CD1 3.69Å; V23-L120 HydrophobicContact CB-CG 4.33Å; V23-L120 HydrophobicContact CG1-CD1 3.93Å; V23-L120 HydrophobicContact CG2-CD1 3.57Å; V23-L120 HydrophobicContact CG2-CG 3.71Å
24I88.2Confident84.6Confident55 Ų5569.7 Ų69.728%0.28234%0.335SS..Hα-helixtrans-55.7-39.4176.5-63.8-158.6000111.2A20 V21 K26 L27 F43 Y89 M93A20-I24 PolarHBondContact O-N 3.06Å; V21-I24 PolarHBondContact O-N 3.48Å; I24-K26 VanDerWaalsContact C-N 3.28Å; I24-K26 PolarHBondContact O-N 3.43Å; I24-L27 PolarHBondContact O-N 3.28Å; I24-F43 HydrophobicContact CD1-CB 4.28Å; I24-F43 HydrophobicContact CD1-CD1 3.82Å; I24-F43 HydrophobicContact CD1-CD2 3.83Å; I24-F43 HydrophobicContact CD1-CE1 4.04Å; I24-F43 HydrophobicContact CD1-CE2 4.03Å; I24-F43 HydrophobicContact CD1-CG 3.72Å; I24-F43 HydrophobicContact CD1-CZ 4.15Å; I24-Y89 WeakPolarHBondContact CD1-OH 3.17Å; I24-M93 HydrophobicContact CD1-CE 3.86Å; I24-M93 HydrophobicContact CG1-CE 3.46Å; I24-M93 VanDerWaalsContact CG1-CE 3.46Å
25H86.1Confident84.4Confident139 Ų13967 Ų6764%0.64433%0.326SS*.THydrogen-bonded Turntrans-68.8-20.3175.6-68154.4000114.9V21 V23V21-H25 WeakPolarHBondContact CG1-CE1 3.48Å; V21-H25 PolarHBondContact O-N 2.98Å; V21-H25 PolarHBondContact O-ND1 3.37Å; V23-H25 PolarHBondContact O-N 3.43Å
26K84.6Confident84.5Confident107 Ų10763.4 Ų63.447%0.46532%0.323SS..THydrogen-bonded Turntrans-95.6-14.4178.4-70.2163.8-160.4158.40113.1D22 V23 I24 H116D22-K26 WeakPolarHBondContact O-CD 3.41Å; D22-K26 VanDerWaalsContact O-CE 3.26Å; D22-K26 WeakPolarHBondContact O-CE 3.38Å; D22-K26 WeakPolarHBondContact O-CG 3.26Å; D22-K26 PolarHBondContact O-N 2.89Å; D22-K26 IonicContact OD2-NZ 3.43Å; D22-K26 PolarHBondContact OD2-NZ 3.09Å; V23-K26 CarbonylContact O-C 3.57Å; V23-K26 WeakPolarHBondContact O-CA 3.27Å; V23-K26 PolarHBondContact O-N 2.83Å; I24-K26 VanDerWaalsContact C-N 3.28Å; I24-K26 PolarHBondContact O-N 3.43Å; K26-H116 PolarHBondContact O-CD2 2.92Å
27L82.8Confident84.6Confident45 Ų4564.8 Ų64.824%0.23633%0.329CS..SBendtrans-63.8138.8179.1-67.7-178000111.5V23 I24 K29 F113 H116 F117V23-L27 HydrophobicContact CG1-CD2 4.2Å; V23-L27 HydrophobicContact CG1-CG 4.39Å; V23-L27 WeakPolarHBondContact O-CG 3.45Å; V23-L27 PolarHBondContact O-N 2.88Å; I24-L27 PolarHBondContact O-N 3.28Å; L27-K29 PolarHBondContact O-N 2.81Å; L27-F113 HydrophobicContact CD1-CZ 4.47Å; L27-F113 HydrophobicContact CD2-CE2 3.93Å; L27-F113 HydrophobicContact CD2-CZ 4.02Å; L27-H116 HydrophobicContact CD2-CB 3.82Å; L27-F117 HydrophobicContact CD1-CZ 4.17Å; L27-F117 HydrophobicContact CD2-CD2 4.48Å; L27-F117 HydrophobicContact CD2-CE2 3.6Å; L27-F117 HydrophobicContact CD2-CZ 3.84Å
28P80.4Confident84.6Confident62 Ų6271.4 Ų71.440%0.40336%0.36SS..  trans-67.7120.7176.627.3-33.5000110.5N30 G31P28-N30 PolarHBondContact O-N 2.81Å; P28-N30 VanDerWaalsContact O-N 3.1Å; P28-G31 PolarHBondContact O-N 3.29Å
29K76.1Confident84.6Confident136 Ų13668.5 Ų68.559%0.59135%0.348SS*.THydrogen-bonded Turntrans-54.4-31.5178.4-64-170.7175.1-1690113.3L27 S221L27-K29 PolarHBondContact O-N 2.81Å; K29-S221 PolarHBondContact NZ-OG 3.06Å
30N70.1Confident84.8Confident136 Ų13671.8 Ų71.873%0.72736%0.362SS*.THydrogen-bonded Turntrans-105.134.2-179.2-58.311.8000111.3P28P28-N30 PolarHBondContact O-N 2.81Å; P28-N30 VanDerWaalsContact O-N 3.1Å
31G70.3Confident85Confident17 Ų1773.1 Ų73.118%0.17537%0.369CS..  trans-70.8168.7178.900000113.9P28 Y33P28-G31 PolarHBondContact O-N 3.29Å; G31-Y33 VanDerWaalsContact C-N 3.25Å; G31-Y33 PolarHBondContact O-N 2.92Å
32S71.8Confident85.2Confident84 Ų8479.3 Ų79.359%0.58739%0.392SS*.SBendtrans-70.6-18.4173.741.70000113.6M104S32-M104 WeakPolarHBondContact O-CE 3.48Å; S32-M104 VanDerWaalsContact OG-CE 3.28Å; S32-M104 WeakPolarHBondContact OG-CE 3.44Å
33Y78.6Confident85.4Confident31 Ų3177.6 Ų77.612%0.12238%0.381CS..  trans-98.7126.8168.2179.7-107.3000109.5G31 P35 V96 E99 V100 M104 F113G31-Y33 VanDerWaalsContact C-N 3.25Å; G31-Y33 PolarHBondContact O-N 2.92Å; Y33-P35 HydrophobicContact CE1-CB 3.75Å; Y33-P35 HydrophobicContact CE1-CG 4.28Å; Y33-V96 HydrophobicContact CE1-CG1 3.89Å; Y33-E99 PolarHBondContact OH-OE2 2.77Å; Y33-V100 HydrophobicContact CD1-CG2 4.01Å; Y33-V100 HydrophobicContact CD2-CG2 3.62Å; Y33-V100 HydrophobicContact CE1-CG2 4.08Å; Y33-V100 HydrophobicContact CE2-CG2 3.7Å; Y33-V100 HydrophobicContact CG-CG2 3.78Å; Y33-M104 VanDerWaalsContact N-CE 3.31Å; Y33-F113 HydrophobicContact CD1-CZ 4.42Å
34R82.4Confident85.9Confident188 Ų18881 Ų8171%0.70940%0.395SS*.  trans-118109.1170.9-79-179.5157-169.5-11.8108.1
35P86.2Confident86.3Confident47 Ų4778.6 Ų78.631%0.30538%0.383SS..  trans-64.9146179.225.2-32.7000111.3Y33 V39 M40Y33-P35 HydrophobicContact CE1-CB 3.75Å; Y33-P35 HydrophobicContact CE1-CG 4.28Å; P35-V39 HydrophobicContact CB-CB 4.23Å; P35-V39 HydrophobicContact CB-CG1 3.96Å; P35-M40 HydrophobicContact CB-CG 4.19Å; P35-M40 HydrophobicContact CG-CG 3.8Å; P35-M40 HydrophobicContact CG-SD 4.18Å
36S90.8Very high86.8Confident67 Ų6772.4 Ų72.447%0.46935%0.354SS..  trans-57.8152.2172176.50000111.7E38 V39 M40S36-E38 PolarHBondContact O-N 2.93Å; S36-V39 WeakPolarHBondContact O-CB 3.44Å; S36-V39 PolarHBondContact O-N 3.13Å; S36-M40 PolarHBondContact O-N 3.35Å
37Y92.1Very high87.4Confident78 Ų7871.1 Ų71.131%0.30635%0.347SS..Hα-helixtrans-56.2-36.4177-172.4-115000112.3M40 L41 Y69 V217Y37-M40 HydrophobicContact CD2-CE 4.2Å; Y37-M40 PolarHBondContact O-N 3.32Å; Y37-L41 HydrophobicContact CD1-CD1 3.91Å; Y37-L41 HydrophobicContact CD1-CG 4.41Å; Y37-L41 HydrophobicContact CE1-CD1 3.52Å; Y37-L41 HydrophobicContact CE1-CG 4.09Å; Y37-L41 WeakPolarHBondContact O-CG 3.38Å; Y37-L41 PolarHBondContact O-N 2.87Å; Y37-Y69 HydrophobicContact CE1-CD1 4.41Å; Y37-Y69 HydrophobicContact CE1-CD2 4.24Å; Y37-Y69 HydrophobicContact CE1-CG 4.06Å; Y37-Y69 WeakPolarHBondContact OH-CB 3.43Å; Y37-Y69 WeakPolarHBondContact OH-CD2 3.41Å; Y37-V217 HydrophobicContact CE2-CG1 4.1Å
38E93.3Very high88.1Confident143 Ų14371.1 Ų71.167%0.66835%0.345SS*.Hα-helixtrans-62.8-44.5175-59.1-155.5141.600112.2S36 M40 L41 R42S36-E38 PolarHBondContact O-N 2.93Å; E38-M40 VanDerWaalsContact C-N 3.33Å; E38-M40 PolarHBondContact O-N 3.1Å; E38-L41 PolarHBondContact O-N 2.97Å; E38-L41 VanDerWaalsContact O-N 3.17Å; E38-R42 VanDerWaalsContact O-CG 3.26Å; E38-R42 WeakPolarHBondContact O-CG 3.42Å; E38-R42 PolarHBondContact O-N 2.91Å
39V93.3Very high88.9Confident26 Ų2668.1 Ų68.116%0.15833%0.326CS..Hα-helixtrans-62.2-42.2178.4173.40000110.6P35 S36 L41 R42 F43 V96P35-V39 HydrophobicContact CB-CB 4.23Å; P35-V39 HydrophobicContact CB-CG1 3.96Å; S36-V39 WeakPolarHBondContact O-CB 3.44Å; S36-V39 PolarHBondContact O-N 3.13Å; V39-L41 PolarHBondContact O-N 3.34Å; V39-R42 PolarHBondContact O-N 3.27Å; V39-F43 HydrophobicContact CG1-CD2 3.83Å; V39-F43 HydrophobicContact CG1-CE2 3.51Å; V39-F43 VanDerWaalsContact O-CD2 3.28Å; V39-F43 WeakPolarHBondContact O-CD2 3.33Å; V39-F43 PolarHBondContact O-N 2.98Å; V39-V96 HydrophobicContact CG1-CG2 3.56Å
40M92.8Very high89.8Confident84 Ų8461.8 Ų61.841%0.41430%0.299SS..Hα-helixtrans-63-40.6174.2-67.8-168-75.800112.4P35 S36 Y37 E38 Y44P35-M40 HydrophobicContact CB-CG 4.19Å; P35-M40 HydrophobicContact CG-CG 3.8Å; P35-M40 HydrophobicContact CG-SD 4.18Å; S36-M40 PolarHBondContact O-N 3.35Å; Y37-M40 HydrophobicContact CD2-CE 4.2Å; Y37-M40 PolarHBondContact O-N 3.32Å; E38-M40 VanDerWaalsContact C-N 3.33Å; E38-M40 PolarHBondContact O-N 3.1Å; M40-Y44 WeakPolarHBondContact O-CB 3.12Å; M40-Y44 PolarHBondContact O-N 3.46Å
41L95.6Very high91Very high28 Ų2858.8 Ų58.815%0.14729%0.285CS..Hα-helixtrans-67.3-36.4174.5-73.6179000112.9Y37 E38 V39 Y44 S45 K70 A73Y37-L41 HydrophobicContact CD1-CD1 3.91Å; Y37-L41 HydrophobicContact CD1-CG 4.41Å; Y37-L41 HydrophobicContact CE1-CD1 3.52Å; Y37-L41 HydrophobicContact CE1-CG 4.09Å; Y37-L41 WeakPolarHBondContact O-CG 3.38Å; Y37-L41 PolarHBondContact O-N 2.87Å; E38-L41 PolarHBondContact O-N 2.97Å; E38-L41 VanDerWaalsContact O-N 3.17Å; V39-L41 PolarHBondContact O-N 3.34Å; L41-Y44 PolarHBondContact O-N 2.78Å; L41-S45 WeakPolarHBondContact O-CB 3.46Å; L41-S45 PolarHBondContact O-N 3.19Å; L41-S45 PolarHBondContact O-OG 3.23Å; L41-K70 HydrophobicContact CD2-CG 3.96Å; L41-A73 HydrophobicContact CB-CB 4.05Å; L41-A73 HydrophobicContact CD2-CB 4.26Å
42R95.8Very high92.1Very high133 Ų13361.1 Ų61.150%0.50230%0.298SS..Hα-helixtrans-63.3-50.4175.5-71-75.3177.8-178.93.1111.5E38 V39 Y44 S45 L46 E92E38-R42 VanDerWaalsContact O-CG 3.26Å; E38-R42 WeakPolarHBondContact O-CG 3.42Å; E38-R42 PolarHBondContact O-N 2.91Å; V39-R42 PolarHBondContact O-N 3.27Å; R42-Y44 VanDerWaalsContact C-N 3.32Å; R42-Y44 PolarHBondContact O-N 3.04Å; R42-S45 PolarHBondContact O-N 2.79Å; R42-S45 PolarHBondContact O-OG 3.25Å; R42-S45 VanDerWaalsContact O-OG 3.13Å; R42-L46 WeakPolarHBondContact O-CB 3.29Å; R42-L46 VanDerWaalsContact O-CG 3.28Å; R42-L46 WeakPolarHBondContact O-CG 3.47Å; R42-L46 PolarHBondContact O-N 3.43Å; R42-E92 HydrophobicContact CB-CG 4.32Å
43F96.1Very high93.2Very high23 Ų2357.3 Ų57.310%0.10127%0.272CS..Hα-helixtrans-61.8-40.8175.1-73.3-56.8000111.7I24 V39 Y47 Y89 E92 M93 V96I24-F43 HydrophobicContact CD1-CB 4.28Å; I24-F43 HydrophobicContact CD1-CD1 3.82Å; I24-F43 HydrophobicContact CD1-CD2 3.83Å; I24-F43 HydrophobicContact CD1-CE1 4.04Å; I24-F43 HydrophobicContact CD1-CE2 4.03Å; I24-F43 HydrophobicContact CD1-CG 3.72Å; I24-F43 HydrophobicContact CD1-CZ 4.15Å; V39-F43 HydrophobicContact CG1-CD2 3.83Å; V39-F43 HydrophobicContact CG1-CE2 3.51Å; V39-F43 VanDerWaalsContact O-CD2 3.28Å; V39-F43 WeakPolarHBondContact O-CD2 3.33Å; V39-F43 PolarHBondContact O-N 2.98Å; F43-Y47 WeakPolarHBondContact O-CB 3.41Å; F43-Y47 PolarHBondContact O-N 2.81Å; F43-Y89 HydrophobicContact CB-CE2 3.99Å; F43-Y89 AromaticContact CD1-CD2 3.89Å; F43-Y89 HydrophobicContact CD1-CD2 3.89Å; F43-Y89 HydrophobicContact CD1-CE1 4.44Å; F43-Y89 AromaticContact CD1-CE2 3.66Å; F43-Y89 HydrophobicContact CD1-CE2 3.66Å; F43-Y89 HydrophobicContact CD1-CG 4.38Å; F43-Y89 AromaticContact CD1-CZ 3.98Å; F43-Y89 HydrophobicContact CG-CE2 4.28Å; F43-Y89 WeakPolarHBondContact O-CE2 3.35Å; F43-E92 HydrophobicContact CE1-CB 3.99Å; F43-E92 HydrophobicContact CE1-CG 4.41Å; F43-E92 HydrophobicContact CZ-CB 4.42Å; F43-M93 HydrophobicContact CE1-CB 4.21Å; F43-M93 HydrophobicContact CZ-CB 4.46Å; F43-V96 HydrophobicContact CE2-CG2 3.93Å; F43-V96 HydrophobicContact CZ-CB 4.32Å; F43-V96 HydrophobicContact CZ-CG2 3.93Å
44Y96.1Very high94Very high73 Ų7357.6 Ų57.629%0.28628%0.277SS..Hα-helixtrans-61.1-49.6176.5176.4-95.6000112.4M40 L41 R42 Y47 K48 K70M40-Y44 WeakPolarHBondContact O-CB 3.12Å; M40-Y44 PolarHBondContact O-N 3.46Å; L41-Y44 PolarHBondContact O-N 2.78Å; R42-Y44 VanDerWaalsContact C-N 3.32Å; R42-Y44 PolarHBondContact O-N 3.04Å; Y44-Y47 PolarHBondContact O-N 3.41Å; Y44-K48 HydrophobicContact CD1-CG 4.28Å; Y44-K48 HydrophobicContact CD2-CG 4.29Å; Y44-K48 HydrophobicContact CE1-CG 3.74Å; Y44-K48 HydrophobicContact CE2-CD 4.16Å; Y44-K48 HydrophobicContact CE2-CG 3.77Å; Y44-K48 VanDerWaalsContact CZ-CG 3.47Å; Y44-K48 WeakPolarHBondContact O-CB 3.47Å; Y44-K48 WeakPolarHBondContact O-CG 3.3Å; Y44-K48 PolarHBondContact O-N 3.31Å; Y44-K70 HydrophobicContact CD1-CB 3.91Å; Y44-K70 HydrophobicContact CD1-CG 3.98Å; Y44-K70 HydrophobicContact CE1-CB 3.52Å; Y44-K70 HydrophobicContact CE1-CG 3.99Å; Y44-K70 WeakPolarHBondContact CE1-O 3.49Å; Y44-K70 VanDerWaalsContact CE2-CE 3.41Å; Y44-K70 HydrophobicContact CG-CG 4.38Å; Y44-K70 VanDerWaalsContact CZ-CE 3.47Å
45S97Very high94.6Very high3 Ų349.9 Ų49.92%0.02125%0.252CS..Hα-helixtrans-66.3-45-177.262.20000112L41 R42 K48 Q49 A73 L77L41-S45 WeakPolarHBondContact O-CB 3.46Å; L41-S45 PolarHBondContact O-N 3.19Å; L41-S45 PolarHBondContact O-OG 3.23Å; R42-S45 PolarHBondContact O-N 2.79Å; R42-S45 PolarHBondContact O-OG 3.25Å; R42-S45 VanDerWaalsContact O-OG 3.13Å; S45-K48 PolarHBondContact O-N 2.81Å; S45-Q49 WeakPolarHBondContact O-CB 3.36Å; S45-Q49 PolarHBondContact O-N 3.31Å; S45-A73 WeakPolarHBondContact CB-O 3.44Å; S45-L77 VanDerWaalsContact C-CD1 3.44Å; S45-L77 WeakPolarHBondContact O-CD1 3.43Å
46L97.3Very high95Very high9 Ų953.9 Ų53.95%0.04728%0.276CS..Hα-helixtrans-64.9-40.7177.9-68.1170.6000111.9R42 Q49 A50 L77 M80 A88 Y89 E92R42-L46 WeakPolarHBondContact O-CB 3.29Å; R42-L46 VanDerWaalsContact O-CG 3.28Å; R42-L46 WeakPolarHBondContact O-CG 3.47Å; R42-L46 PolarHBondContact O-N 3.43Å; L46-Q49 PolarHBondContact O-N 2.97Å; L46-A50 VanDerWaalsContact O-CB 3.28Å; L46-A50 WeakPolarHBondContact O-CB 3.28Å; L46-A50 PolarHBondContact O-N 3.35Å; L46-L77 HydrophobicContact CD2-CD1 4.02Å; L46-L77 HydrophobicContact CD2-CD2 4.23Å; L46-L77 HydrophobicContact CG-CD1 4.48Å; L46-M80 HydrophobicContact CD2-SD 4.15Å; L46-A88 HydrophobicContact CD1-CB 4.24Å; L46-A88 HydrophobicContact CD2-CB 3.81Å; L46-Y89 HydrophobicContact CB-CD2 3.95Å; L46-E92 HydrophobicContact CD1-CB 4.45Å
47Y97Very high95.2Very high81 Ų8154 Ų5432%0.31827%0.274SS..Hα-helixtrans-61-45172.3175.2-96.1000112F17 V21 F43 Y44 A50 V51F17-Y47 HydrophobicContact CE2-CD2 4.21Å; F17-Y47 AromaticContact CZ-CD2 3.62Å; F17-Y47 HydrophobicContact CZ-CD2 3.62Å; F17-Y47 HydrophobicContact CZ-CE2 4.17Å; F17-Y47 HydrophobicContact CZ-CG 4.49Å; V21-Y47 HydrophobicContact CG1-CD2 4.48Å; V21-Y47 HydrophobicContact CG1-CE2 3.98Å; V21-Y47 HydrophobicContact CG2-CD2 3.75Å; V21-Y47 HydrophobicContact CG2-CE2 3.94Å; F43-Y47 WeakPolarHBondContact O-CB 3.41Å; F43-Y47 PolarHBondContact O-N 2.81Å; Y44-Y47 PolarHBondContact O-N 3.41Å; Y47-A50 PolarHBondContact O-N 2.84Å; Y47-V51 HydrophobicContact CD2-CG2 4.19Å; Y47-V51 HydrophobicContact CE1-CG2 4.4Å; Y47-V51 HydrophobicContact CE2-CG2 3.82Å; Y47-V51 WeakPolarHBondContact O-CB 3.42Å; Y47-V51 WeakPolarHBondContact O-CG2 3.23Å; Y47-V51 PolarHBondContact O-N 3Å
48K97.1Very high95.4Very high44 Ų4455.9 Ų55.919%0.19130%0.296CS..Hα-helixtrans-63.6-41.2177.5-78.2-57.8-55.2170.20112.3Y44 S45 C52 W74Y44-K48 HydrophobicContact CD1-CG 4.28Å; Y44-K48 HydrophobicContact CD2-CG 4.29Å; Y44-K48 HydrophobicContact CE1-CG 3.74Å; Y44-K48 HydrophobicContact CE2-CD 4.16Å; Y44-K48 HydrophobicContact CE2-CG 3.77Å; Y44-K48 VanDerWaalsContact CZ-CG 3.47Å; Y44-K48 WeakPolarHBondContact O-CB 3.47Å; Y44-K48 WeakPolarHBondContact O-CG 3.3Å; Y44-K48 PolarHBondContact O-N 3.31Å; S45-K48 PolarHBondContact O-N 2.81Å; K48-C52 PolarHBondContact NZ-SG 3.26Å; K48-C52 WeakPolarHBondContact O-CA 3.49Å; K48-C52 VanDerWaalsContact O-CB 3.29Å; K48-C52 WeakPolarHBondContact O-CB 3.26Å; K48-C52 PolarHBondContact O-N 3.49Å; K48-W74 HydrophobicContact CB-CD2 3.67Å; K48-W74 HydrophobicContact CB-CE3 4.13Å; K48-W74 HydrophobicContact CB-CG 3.87Å; K48-W74 HydrophobicContact CB-CZ2 4.37Å; K48-W74 VanDerWaalsContact CE-CH2 3.49Å; K48-W74 HydrophobicContact CG-CD2 4.29Å; K48-W74 HydrophobicContact CG-CE3 4.27Å
49Q97.1Very high95.5Very high0 Ų054.8 Ų54.80%029%0.285CS..Hα-helixtrans-67.1-42.2176.3-163.676.610.500111.8S45 L46 G53 L77 G78 M80 A85S45-Q49 WeakPolarHBondContact O-CB 3.36Å; S45-Q49 PolarHBondContact O-N 3.31Å; L46-Q49 PolarHBondContact O-N 2.97Å; Q49-G53 WeakPolarHBondContact O-CA 3.13Å; Q49-G53 PolarHBondContact O-N 2.93Å; Q49-G53 PolarHBondContact OE1-O 3.4Å; Q49-L77 HydrophobicContact CB-CD1 3.71Å; Q49-L77 HydrophobicContact CG-CB 4.34Å; Q49-L77 HydrophobicContact CG-CD1 4.17Å; Q49-G78 PolarHBondContact NE2-O 2.79Å; Q49-M80 HydrophobicContact CG-CB 4.07Å; Q49-M80 HydrophobicContact CG-CG 4.26Å; Q49-M80 HydrophobicContact CG-SD 4.46Å; Q49-M80 PolarHBondContact NE2-O 2.87Å; Q49-A85 HydrophobicContact CB-CB 3.75Å; Q49-A85 HydrophobicContact CG-CB 3.83Å
50A95.8Very high95.6Very high2 Ų255 Ų552%0.01729%0.288CS..Hα-helixtrans-63.1-42.2177.200000113.1F17 L46 Y47 Q82 A85 M86F17-A50 HydrophobicContact CE1-CB 4.06Å; F17-A50 HydrophobicContact CE2-CB 3.81Å; F17-A50 HydrophobicContact CZ-CB 3.55Å; L46-A50 VanDerWaalsContact O-CB 3.28Å; L46-A50 WeakPolarHBondContact O-CB 3.28Å; L46-A50 PolarHBondContact O-N 3.35Å; Y47-A50 PolarHBondContact O-N 2.84Å; A50-Q82 WeakPolarHBondContact O-CG 3.44Å; A50-A85 HydrophobicContact CB-CB 4.08Å; A50-M86 HydrophobicContact CB-CE 4.2Å; A50-M86 HydrophobicContact CB-CG 3.7Å
51V94.9Very high95.7Very high74 Ų7453.3 Ų53.345%0.44829%0.291SS..Hα-helixtrans-90.9-28.8-174.3178.40000113.2F17 Y47F17-V51 HydrophobicContact CE1-CG2 4.08Å; F17-V51 HydrophobicContact CZ-CG2 4.06Å; Y47-V51 HydrophobicContact CD2-CG2 4.19Å; Y47-V51 HydrophobicContact CE1-CG2 4.4Å; Y47-V51 HydrophobicContact CE2-CG2 3.82Å; Y47-V51 WeakPolarHBondContact O-CB 3.42Å; Y47-V51 WeakPolarHBondContact O-CG2 3.23Å; Y47-V51 PolarHBondContact O-N 3Å
52C94.1Very high95.5Very high65 Ų6559.1 Ų59.144%0.43932%0.316SS..Hα-helixtrans-121.7-7.2-174-58.20000114.7K48 W74K48-C52 PolarHBondContact NZ-SG 3.26Å; K48-C52 WeakPolarHBondContact O-CA 3.49Å; K48-C52 VanDerWaalsContact O-CB 3.29Å; K48-C52 WeakPolarHBondContact O-CB 3.26Å; K48-C52 PolarHBondContact O-N 3.49Å; C52-W74 HydrophobicContact CB-CH2 4.22Å; C52-W74 HydrophobicContact CB-CZ2 3.93Å
53G93.7Very high95.4Very high4 Ų464 Ų644%0.04133%0.334CS..  trans71.9-157.8-171.800000113.2Q49 W74Q49-G53 WeakPolarHBondContact O-CA 3.13Å; Q49-G53 PolarHBondContact O-N 2.93Å; Q49-G53 PolarHBondContact OE1-O 3.4Å; G53-W74 WeakPolarHBondContact O-CZ2 3.42Å; G53-W74 PolarHBondContact O-NE1 2.89Å
54P96.2Very high95.3Very high37 Ų3766.2 Ų66.224%0.2435%0.347CS..SBendtrans-55.5152-178.3-28.236.9000114.9T56 G78 E79P54-T56 PolarHBondContact O-N 2.89Å; P54-G78 WeakPolarHBondContact CB-O 3.16Å; P54-E79 WeakPolarHBondContact CG-OE2 3.28Å
55C95.1Very high95.2Very high27 Ų2765.9 Ų65.918%0.18235%0.354CS..  trans-73.893.6-177.6-168.20000111.9W74C55-W74 HydrophobicContact CB-CD2 3.79Å; C55-W74 HydrophobicContact CB-CE3 4.32Å; C55-W74 HydrophobicContact CB-CG 3.88Å; C55-W74 HydrophobicContact CB-CZ2 4.41Å
56T94.5Very high95Very high131 Ų13167.6 Ų67.680%0.80436%0.364SS*.  trans-95.2-5.3178.751.40000114.4P54P54-T56 PolarHBondContact O-N 2.89Å
57V94.2Very high94.9Very high69 Ų6967.9 Ų67.942%0.41837%0.369SS..SBendtrans-81.4149.2-179-66.80000111.8W71 W74V57-W71 PolarHBondContact O-NE1 3.06Å; V57-W74 HydrophobicContact CG2-CE3 4.24Å; V57-W74 HydrophobicContact CG2-CH2 4.31Å; V57-W74 HydrophobicContact CG2-CZ3 3.64Å
58P95.7Very high94.9Very high118 Ų11867.1 Ų67.177%0.76637%0.365SS*.PPolyproline II helixtrans-67.9149.1177.128.5-35.4000112.3W71P58-W71 PolarHBondContact O-NE1 3.4Å
59R95.6Very high94.8Very high119 Ų11971.2 Ų71.245%0.44938%0.381SS..PPolyproline II helixtrans-68.9131.8179.2-171.3173-170-123.22.2111.6W71 D72R59-W71 HydrophobicContact CB-CD2 3.75Å; R59-W71 HydrophobicContact CB-CE3 3.9Å; R59-W71 HydrophobicContact CB-CG 4.36Å; R59-W71 HydrophobicContact CB-CH2 4.07Å; R59-W71 HydrophobicContact CB-CZ2 3.9Å; R59-W71 HydrophobicContact CB-CZ3 4.06Å; R59-W71 HydrophobicContact CG-CD2 3.7Å; R59-W71 HydrophobicContact CG-CE3 3.51Å; R59-W71 HydrophobicContact CG-CG 4.23Å; R59-W71 HydrophobicContact CG-CH2 4.44Å; R59-W71 HydrophobicContact CG-CZ3 3.92Å; R59-D72 IonicContact CZ-OD1 3.38Å; R59-D72 VanDerWaalsContact CZ-OD1 3.23Å; R59-D72 IonicContact CZ-OD2 2.67Å; R59-D72 IonicContact NE-OD1 3.39Å; R59-D72 PolarHBondContact NE-OD1 2.87Å; R59-D72 IonicContact NE-OD2 2.66Å; R59-D72 VanDerWaalsContact NH2-CG 3.26Å; R59-D72 IonicContact NH2-OD1 2.69Å; R59-D72 PolarHBondContact NH2-OD1 3.31Å; R59-D72 IonicContact NH2-OD2 2.68Å; R59-D72 PolarHBondContact NH2-OD2 3.02Å
60P96Very high94.8Very high32 Ų3273.9 Ų73.921%0.20839%0.392CS..PPolyproline II helixtrans-60.2155.1-179.4-27.937000115.6D64 R68 W71P60-D64 HydrophobicContact CB-CB 4.19Å; P60-R68 HydrophobicContact CB-CG 4.2Å; P60-R68 PolarHBondContact O-NE 2.99Å; P60-R68 PolarHBondContact O-NH2 3.36Å; P60-W71 HydrophobicContact CG-CB 4.36Å
61G94.2Very high94.9Very high47 Ų4776.2 Ų76.249%0.48540%0.4SS..PPolyproline II helixtrans-64.3167.6177.900000113.4W63 D64 R68G61-W63 PolarHBondContact O-N 2.97Å; G61-D64 PolarHBondContact O-N 2.96Å; G61-R68 PolarHBondContact O-NE 3.35Å
62F92.2Very high94.9Very high151 Ų15174.3 Ų74.366%0.66239%0.388SS*.THydrogen-bonded Turntrans-59.5-30.7-178.5175.2-101.4000113.5D64 R68F62-D64 PolarHBondContact O-N 3.4Å; F62-R68 VanDerWaalsContact CA-CZ 3.49Å
63W93Very high95.1Very high235 Ų23572 Ų7289%0.8937%0.373SS*.THydrogen-bonded Turntrans-71.8-6.9-179.7-49.8109.1000114.8G61 P65G61-W63 PolarHBondContact O-N 2.97Å; W63-P65 WeakPolarHBondContact O-CD 3.26Å
64D94.6Very high95.3Very high70 Ų7072.4 Ų72.437%0.37437%0.373SS..  trans-118.882.2176-179.913.4000110.9P60 G61 F62 G67 R68P60-D64 HydrophobicContact CB-CB 4.19Å; G61-D64 PolarHBondContact O-N 2.96Å; F62-D64 PolarHBondContact O-N 3.4Å; D64-G67 WeakPolarHBondContact OD1-CA 3.33Å; D64-G67 PolarHBondContact OD1-N 3.4Å; D64-G67 VanDerWaalsContact OD2-CA 3.32Å; D64-G67 WeakPolarHBondContact OD2-CA 3.06Å; D64-R68 WeakPolarHBondContact O-CB 3.5Å; D64-R68 VanDerWaalsContact O-CG 3.28Å; D64-R68 WeakPolarHBondContact O-CG 3.43Å; D64-R68 PolarHBondContact O-N 3.08Å
65P93.4Very high95.3Very high65 Ų6572.9 Ų72.942%0.42238%0.378SS..Hα-helixtrans-66.8-39.1178.726-33000112W63 R68 Y69W63-P65 WeakPolarHBondContact O-CD 3.26Å; P65-R68 WeakPolarHBondContact O-CB 3.16Å; P65-R68 PolarHBondContact O-N 2.81Å; P65-Y69 HydrophobicContact CB-CE2 4.42Å; P65-Y69 WeakPolarHBondContact O-CD2 3.42Å; P65-Y69 PolarHBondContact O-N 3.11Å
66V93.1Very high95.4Very high40 Ų4081.5 Ų81.524%0.24241%0.407CS..Hα-helixtrans-68.5-43.5-176.9-179.50000111R68 Y69 K70 V217V66-R68 VanDerWaalsContact C-N 3.32Å; V66-Y69 PolarHBondContact O-N 2.96Å; V66-K70 HydrophobicContact CG1-CD 3.99Å; V66-K70 WeakPolarHBondContact O-CB 3.41Å; V66-K70 WeakPolarHBondContact O-CD 3.43Å; V66-K70 VanDerWaalsContact O-CG 3.29Å; V66-K70 WeakPolarHBondContact O-CG 3.41Å; V66-K70 PolarHBondContact O-N 3.25Å; V66-V217 HydrophobicContact CG1-CG1 4.38Å
67G95.6Very high95.4Very high14 Ų1476.6 Ų76.614%0.14438%0.375CS..Hα-helixtrans-64.9-33.917200000112.7D64 K70 W71D64-G67 WeakPolarHBondContact OD1-CA 3.33Å; D64-G67 PolarHBondContact OD1-N 3.4Å; D64-G67 VanDerWaalsContact OD2-CA 3.32Å; D64-G67 WeakPolarHBondContact OD2-CA 3.06Å; G67-K70 PolarHBondContact O-N 2.92Å; G67-W71 VanDerWaalsContact O-CB 3.24Å; G67-W71 WeakPolarHBondContact O-CB 3.45Å; G67-W71 PolarHBondContact O-N 3.44Å
68R96Very high95.4Very high66 Ų6674.8 Ų74.825%0.24937%0.37CS..Hα-helixtrans-61.8-50.8171.2-82.1176.8163.8-152.6-7.2112.8P60 G61 F62 D64 P65 V66 K70 W71 D72P60-R68 HydrophobicContact CB-CG 4.2Å; P60-R68 PolarHBondContact O-NE 2.99Å; P60-R68 PolarHBondContact O-NH2 3.36Å; G61-R68 PolarHBondContact O-NE 3.35Å; F62-R68 VanDerWaalsContact CA-CZ 3.49Å; D64-R68 WeakPolarHBondContact O-CB 3.5Å; D64-R68 VanDerWaalsContact O-CG 3.28Å; D64-R68 WeakPolarHBondContact O-CG 3.43Å; D64-R68 PolarHBondContact O-N 3.08Å; P65-R68 WeakPolarHBondContact O-CB 3.16Å; P65-R68 PolarHBondContact O-N 2.81Å; V66-R68 VanDerWaalsContact C-N 3.32Å; R68-K70 VanDerWaalsContact C-N 3.3Å; R68-K70 PolarHBondContact O-N 2.94Å; R68-W71 PolarHBondContact O-N 3.29Å; R68-D72 WeakPolarHBondContact O-CB 3.37Å; R68-D72 PolarHBondContact O-N 3.46Å
69Y96.6Very high95.4Very high130 Ų13077.1 Ų77.151%0.5137%0.371SS..Hα-helixtrans-59.9-41.2176.9-70.8-65.1000112.1Y37 P65 V66 D72 A73Y37-Y69 HydrophobicContact CE1-CD1 4.41Å; Y37-Y69 HydrophobicContact CE1-CD2 4.24Å; Y37-Y69 HydrophobicContact CE1-CG 4.06Å; Y37-Y69 WeakPolarHBondContact OH-CB 3.43Å; Y37-Y69 WeakPolarHBondContact OH-CD2 3.41Å; P65-Y69 HydrophobicContact CB-CE2 4.42Å; P65-Y69 WeakPolarHBondContact O-CD2 3.42Å; P65-Y69 PolarHBondContact O-N 3.11Å; V66-Y69 PolarHBondContact O-N 2.96Å; Y69-D72 PolarHBondContact O-N 2.9Å; Y69-A73 VanDerWaalsContact O-CB 3.27Å; Y69-A73 WeakPolarHBondContact O-CB 3.35Å; Y69-A73 PolarHBondContact O-N 3.45Å
70K96Very high95.4Very high56 Ų5674 Ų7424%0.24336%0.363CS..Hα-helixtrans-63.5-42.8175.6-75.7168.8681750112.7L41 Y44 V66 G67 R68 W74L41-K70 HydrophobicContact CD2-CG 3.96Å; Y44-K70 HydrophobicContact CD1-CB 3.91Å; Y44-K70 HydrophobicContact CD1-CG 3.98Å; Y44-K70 HydrophobicContact CE1-CB 3.52Å; Y44-K70 HydrophobicContact CE1-CG 3.99Å; Y44-K70 WeakPolarHBondContact CE1-O 3.49Å; Y44-K70 VanDerWaalsContact CE2-CE 3.41Å; Y44-K70 HydrophobicContact CG-CG 4.38Å; Y44-K70 VanDerWaalsContact CZ-CE 3.47Å; V66-K70 HydrophobicContact CG1-CD 3.99Å; V66-K70 WeakPolarHBondContact O-CB 3.41Å; V66-K70 WeakPolarHBondContact O-CD 3.43Å; V66-K70 VanDerWaalsContact O-CG 3.29Å; V66-K70 WeakPolarHBondContact O-CG 3.41Å; V66-K70 PolarHBondContact O-N 3.25Å; G67-K70 PolarHBondContact O-N 2.92Å; R68-K70 VanDerWaalsContact C-N 3.3Å; R68-K70 PolarHBondContact O-N 2.94Å; K70-W74 PolarHBondContact O-N 3.43Å; K70-W74 VanDerWaalsContact O-N 3.14Å
71W97.3Very high95.4Very high50 Ų5075.2 Ų75.219%0.18937%0.371CS..Hα-helixtrans-67.7-45.4176-172.996.8000111.5V57 P58 R59 P60 G67 R68 A73 W74 S75V57-W71 PolarHBondContact O-NE1 3.06Å; P58-W71 PolarHBondContact O-NE1 3.4Å; R59-W71 HydrophobicContact CB-CD2 3.75Å; R59-W71 HydrophobicContact CB-CE3 3.9Å; R59-W71 HydrophobicContact CB-CG 4.36Å; R59-W71 HydrophobicContact CB-CH2 4.07Å; R59-W71 HydrophobicContact CB-CZ2 3.9Å; R59-W71 HydrophobicContact CB-CZ3 4.06Å; R59-W71 HydrophobicContact CG-CD2 3.7Å; R59-W71 HydrophobicContact CG-CE3 3.51Å; R59-W71 HydrophobicContact CG-CG 4.23Å; R59-W71 HydrophobicContact CG-CH2 4.44Å; R59-W71 HydrophobicContact CG-CZ3 3.92Å; P60-W71 HydrophobicContact CG-CB 4.36Å; G67-W71 VanDerWaalsContact O-CB 3.24Å; G67-W71 WeakPolarHBondContact O-CB 3.45Å; G67-W71 PolarHBondContact O-N 3.44Å; R68-W71 PolarHBondContact O-N 3.29Å; W71-A73 VanDerWaalsContact C-N 3.3Å; W71-A73 PolarHBondContact O-N 3.39Å; W71-W74 PolarHBondContact O-N 3.32Å; W71-S75 WeakPolarHBondContact CH2-OG 3.32Å; W71-S75 VanDerWaalsContact O-CB 3.29Å; W71-S75 WeakPolarHBondContact O-CB 3.36Å; W71-S75 PolarHBondContact O-N 3.25Å
72D96.8Very high95.4Very high34 Ų3477.7 Ų77.718%0.18237%0.37CS..Hα-helixtrans-61.6-40178.1-70.3-8.4000110.7R59 R68 Y69 R76R59-D72 IonicContact CZ-OD1 3.38Å; R59-D72 VanDerWaalsContact CZ-OD1 3.23Å; R59-D72 IonicContact CZ-OD2 2.67Å; R59-D72 IonicContact NE-OD1 3.39Å; R59-D72 PolarHBondContact NE-OD1 2.87Å; R59-D72 IonicContact NE-OD2 2.66Å; R59-D72 VanDerWaalsContact NH2-CG 3.26Å; R59-D72 IonicContact NH2-OD1 2.69Å; R59-D72 PolarHBondContact NH2-OD1 3.31Å; R59-D72 IonicContact NH2-OD2 2.68Å; R59-D72 PolarHBondContact NH2-OD2 3.02Å; R68-D72 WeakPolarHBondContact O-CB 3.37Å; R68-D72 PolarHBondContact O-N 3.46Å; Y69-D72 PolarHBondContact O-N 2.9Å; D72-R76 WeakPolarHBondContact O-CB 3.34Å; D72-R76 VanDerWaalsContact O-CD 3.3Å; D72-R76 WeakPolarHBondContact O-CD 3.41Å; D72-R76 WeakPolarHBondContact O-CG 3.47Å; D72-R76 PolarHBondContact O-N 3.08Å; D72-R76 VanDerWaalsContact O-N 3.15Å
73A97.2Very high95.5Very high16 Ų1676.1 Ų76.113%0.13237%0.365CS..Hα-helixtrans-65.7-40.8176.100000112.8L41 S45 Y69 W71L41-A73 HydrophobicContact CB-CB 4.05Å; L41-A73 HydrophobicContact CD2-CB 4.26Å; S45-A73 WeakPolarHBondContact CB-O 3.44Å; Y69-A73 VanDerWaalsContact O-CB 3.27Å; Y69-A73 WeakPolarHBondContact O-CB 3.35Å; Y69-A73 PolarHBondContact O-N 3.45Å; W71-A73 VanDerWaalsContact C-N 3.3Å; W71-A73 PolarHBondContact O-N 3.39Å
74W97.6Very high95.6Very high13 Ų1368.6 Ų68.65%0.04935%0.345CS..Hα-helixtrans-72.3-46176.6-176.215.4000111.8K48 C52 G53 C55 V57 K70 W71 R76 L77K48-W74 HydrophobicContact CB-CD2 3.67Å; K48-W74 HydrophobicContact CB-CE3 4.13Å; K48-W74 HydrophobicContact CB-CG 3.87Å; K48-W74 HydrophobicContact CB-CZ2 4.37Å; K48-W74 VanDerWaalsContact CE-CH2 3.49Å; K48-W74 HydrophobicContact CG-CD2 4.29Å; K48-W74 HydrophobicContact CG-CE3 4.27Å; C52-W74 HydrophobicContact CB-CH2 4.22Å; C52-W74 HydrophobicContact CB-CZ2 3.93Å; G53-W74 WeakPolarHBondContact O-CZ2 3.42Å; G53-W74 PolarHBondContact O-NE1 2.89Å; C55-W74 HydrophobicContact CB-CD2 3.79Å; C55-W74 HydrophobicContact CB-CE3 4.32Å; C55-W74 HydrophobicContact CB-CG 3.88Å; C55-W74 HydrophobicContact CB-CZ2 4.41Å; V57-W74 HydrophobicContact CG2-CE3 4.24Å; V57-W74 HydrophobicContact CG2-CH2 4.31Å; V57-W74 HydrophobicContact CG2-CZ3 3.64Å; K70-W74 PolarHBondContact O-N 3.43Å; K70-W74 VanDerWaalsContact O-N 3.14Å; W71-W74 PolarHBondContact O-N 3.32Å; W74-R76 PolarHBondContact O-N 3.44Å; W74-L77 WeakPolarHBondContact O-CB 3.32Å; W74-L77 PolarHBondContact O-N 3.39Å
75S96.8Very high95.6Very high47 Ų4765.2 Ų65.233%0.32933%0.327SS..Hα-helixtrans-61.2-27.6178.7-176.10000113.3W71 L77 G78W71-S75 WeakPolarHBondContact CH2-OG 3.32Å; W71-S75 VanDerWaalsContact O-CB 3.29Å; W71-S75 WeakPolarHBondContact O-CB 3.36Å; W71-S75 PolarHBondContact O-N 3.25Å; S75-L77 PolarHBondContact O-N 3.36Å; S75-G78 PolarHBondContact O-N 2.99Å
76R96.4Very high95.7Very high209 Ų20963 Ų6379%0.78931%0.311SS*.THydrogen-bonded Turntrans-66.8-14.8174.3-78166.6-166.5-148.46.6114.2D72 W74D72-R76 WeakPolarHBondContact O-CB 3.34Å; D72-R76 VanDerWaalsContact O-CD 3.3Å; D72-R76 WeakPolarHBondContact O-CD 3.41Å; D72-R76 WeakPolarHBondContact O-CG 3.47Å; D72-R76 PolarHBondContact O-N 3.08Å; D72-R76 VanDerWaalsContact O-N 3.15Å; W74-R76 PolarHBondContact O-N 3.44Å
77L95.2Very high95.7Very high27 Ų2762.6 Ų62.614%0.14131%0.312CS..THydrogen-bonded Turntrans-84.6-17.6176.6-59.4178.9000113.2S45 L46 Q49 W74 S75 E79 M80S45-L77 VanDerWaalsContact C-CD1 3.44Å; S45-L77 WeakPolarHBondContact O-CD1 3.43Å; L46-L77 HydrophobicContact CD2-CD1 4.02Å; L46-L77 HydrophobicContact CD2-CD2 4.23Å; L46-L77 HydrophobicContact CG-CD1 4.48Å; Q49-L77 HydrophobicContact CB-CD1 3.71Å; Q49-L77 HydrophobicContact CG-CB 4.34Å; Q49-L77 HydrophobicContact CG-CD1 4.17Å; W74-L77 WeakPolarHBondContact O-CB 3.32Å; W74-L77 PolarHBondContact O-N 3.39Å; S75-L77 PolarHBondContact O-N 3.36Å; L77-E79 PolarHBondContact O-N 3.49Å; L77-M80 HydrophobicContact CB-CB 4.42Å; L77-M80 HydrophobicContact CD2-CE 4.02Å; L77-M80 HydrophobicContact CD2-SD 4.29Å; L77-M80 VanDerWaalsContact O-CB 3.31Å; L77-M80 WeakPolarHBondContact O-CB 3.43Å; L77-M80 PolarHBondContact O-N 2.96Å
78G95.1Very high95.7Very high31 Ų3163.1 Ų63.132%0.3232%0.315SS..THydrogen-bonded Turntrans53-131.1176.700000113.6Q49 P54 S75 M80Q49-G78 PolarHBondContact NE2-O 2.79Å; P54-G78 WeakPolarHBondContact CB-O 3.16Å; S75-G78 PolarHBondContact O-N 2.99Å; G78-M80 PolarHBondContact O-N 2.8Å
79E95.3Very high95.6Very high167 Ų16760.3 Ų60.378%0.7831%0.305SS*.THydrogen-bonded Turntrans-84.425.5-177.9-56.6-53.3124.500114P54 L77 S81P54-E79 WeakPolarHBondContact CG-OE2 3.28Å; L77-E79 PolarHBondContact O-N 3.49Å; E79-S81 PolarHBondContact O-N 2.66Å
80M94.8Very high95.4Very high55 Ų5554.7 Ų54.727%0.27128%0.284SS..  trans-59131.3174.9176.1180-69.500111.2L46 Q49 L77 G78 T84 A85L46-M80 HydrophobicContact CD2-SD 4.15Å; Q49-M80 HydrophobicContact CG-CB 4.07Å; Q49-M80 HydrophobicContact CG-CG 4.26Å; Q49-M80 HydrophobicContact CG-SD 4.46Å; Q49-M80 PolarHBondContact NE2-O 2.87Å; L77-M80 HydrophobicContact CB-CB 4.42Å; L77-M80 HydrophobicContact CD2-CE 4.02Å; L77-M80 HydrophobicContact CD2-SD 4.29Å; L77-M80 VanDerWaalsContact O-CB 3.31Å; L77-M80 WeakPolarHBondContact O-CB 3.43Å; L77-M80 PolarHBondContact O-N 2.96Å; G78-M80 PolarHBondContact O-N 2.8Å; M80-T84 HydrophobicContact CG-CG2 4.07Å; M80-T84 HydrophobicContact SD-CG2 4.4Å; M80-A85 HydrophobicContact CG-CB 4.33Å; M80-A85 HydrophobicContact SD-CB 3.97Å
81S96Very high95.3Very high56 Ų5657.1 Ų57.139%0.39230%0.296SS..  trans-66.8155.6179.183.50000112E79 E83 T84 A85E79-S81 PolarHBondContact O-N 2.66Å; S81-E83 VanDerWaalsContact C-N 3.3Å; S81-E83 PolarHBondContact O-N 2.8Å; S81-T84 PolarHBondContact O-N 3.11Å; S81-T84 WeakPolarHBondContact OG-CB 3.24Å; S81-T84 PolarHBondContact OG-N 2.66Å; S81-T84 VanDerWaalsContact OG-N 3.08Å; S81-T84 PolarHBondContact OG-OG1 3.39Å; S81-A85 WeakPolarHBondContact O-CB 3.48Å; S81-A85 PolarHBondContact O-N 2.93Å
82Q94.9Very high95Very high99 Ų9956.4 Ų56.446%0.46329%0.294SS..Hα-helixtrans-59.6-41.9177.5-68.5-178.6-12.300111.7A50 A85 M86A50-Q82 WeakPolarHBondContact O-CG 3.44Å; Q82-A85 PolarHBondContact O-N 3.25Å; Q82-M86 HydrophobicContact CB-CE 4.21Å; Q82-M86 VanDerWaalsContact O-CG 3.23Å; Q82-M86 WeakPolarHBondContact O-CG 3.29Å; Q82-M86 PolarHBondContact O-N 3.28Å
83E93.8Very high94.7Very high119 Ų11954.9 Ų54.956%0.55629%0.287SS*.Hα-helixtrans-64.2-44.9178-177.7172.5-141.900112.4H13 S81 A85 M86 A87H13-E83 IonicContact CD2-OE1 2.95Å; S81-E83 VanDerWaalsContact C-N 3.3Å; S81-E83 PolarHBondContact O-N 2.8Å; E83-A85 VanDerWaalsContact C-N 3.31Å; E83-A85 PolarHBondContact O-N 2.91Å; E83-M86 WeakPolarHBondContact O-CB 3.29Å; E83-M86 PolarHBondContact O-N 3.33Å; E83-A87 PolarHBondContact O-N 3.38Å
84T94.6Very high94.3Very high76 Ų7656.1 Ų56.147%0.46629%0.289SS..Hα-helixtrans-63.8-37.7174.8-57.10000111.4M80 S81 A87 A88M80-T84 HydrophobicContact CG-CG2 4.07Å; M80-T84 HydrophobicContact SD-CG2 4.4Å; S81-T84 PolarHBondContact O-N 3.11Å; S81-T84 WeakPolarHBondContact OG-CB 3.24Å; S81-T84 PolarHBondContact OG-N 2.66Å; S81-T84 VanDerWaalsContact OG-N 3.08Å; S81-T84 PolarHBondContact OG-OG1 3.39Å; T84-A87 PolarHBondContact O-N 2.94Å; T84-A88 WeakPolarHBondContact O-CB 3.45Å; T84-A88 PolarHBondContact O-N 3.38Å
85A96.2Very high93.9Very high0 Ų060.3 Ų60.30%031%0.307CS..Hα-helixtrans-66.3-38.9174.900000112.8Q49 A50 M80 S81 Q82 E83 Y89Q49-A85 HydrophobicContact CB-CB 3.75Å; Q49-A85 HydrophobicContact CG-CB 3.83Å; A50-A85 HydrophobicContact CB-CB 4.08Å; M80-A85 HydrophobicContact CG-CB 4.33Å; M80-A85 HydrophobicContact SD-CB 3.97Å; S81-A85 WeakPolarHBondContact O-CB 3.48Å; S81-A85 PolarHBondContact O-N 2.93Å; Q82-A85 PolarHBondContact O-N 3.25Å; E83-A85 VanDerWaalsContact C-N 3.31Å; E83-A85 PolarHBondContact O-N 2.91Å; A85-Y89 WeakPolarHBondContact O-CB 3.37Å; A85-Y89 PolarHBondContact O-N 3.11Å
86M94.6Very high93.5Very high18 Ų1858.7 Ų58.79%0.08930%0.296CS..Hα-helixtrans-63.4-44.4173.4-69.8165.5-168.600111.8H13 Q14 F17 A50 Q82 E83 Y89 V90H13-M86 HydrophobicContact CB-CB 4.26Å; Q14-M86 HydrophobicContact CB-SD 4.34Å; Q14-M86 PolarHBondContact OE1-SD 3.35Å; Q14-M86 VanDerWaalsContact OE1-SD 3.37Å; F17-M86 HydrophobicContact CB-CB 3.9Å; F17-M86 HydrophobicContact CB-CG 3.95Å; F17-M86 HydrophobicContact CD1-CG 3.93Å; F17-M86 HydrophobicContact CD2-CB 4.34Å; F17-M86 HydrophobicContact CD2-CG 4.14Å; F17-M86 HydrophobicContact CE1-CG 4.45Å; F17-M86 HydrophobicContact CG-CB 4.11Å; F17-M86 HydrophobicContact CG-CG 3.75Å; A50-M86 HydrophobicContact CB-CE 4.2Å; A50-M86 HydrophobicContact CB-CG 3.7Å; Q82-M86 HydrophobicContact CB-CE 4.21Å; Q82-M86 VanDerWaalsContact O-CG 3.23Å; Q82-M86 WeakPolarHBondContact O-CG 3.29Å; Q82-M86 PolarHBondContact O-N 3.28Å; E83-M86 WeakPolarHBondContact O-CB 3.29Å; E83-M86 PolarHBondContact O-N 3.33Å; M86-Y89 PolarHBondContact O-N 2.94Å; M86-V90 WeakPolarHBondContact O-CG2 3.41Å; M86-V90 PolarHBondContact O-N 2.86Å
87A93.5Very high93Very high31 Ų3148.8 Ų48.826%0.25626%0.258SS..Hα-helixtrans-61-48.7175.800000111.6E83 T84 Y89 V90 E91E83-A87 PolarHBondContact O-N 3.38Å; T84-A87 PolarHBondContact O-N 2.94Å; A87-Y89 PolarHBondContact O-N 2.86Å; A87-V90 PolarHBondContact O-N 3.18Å; A87-E91 PolarHBondContact O-N 3.5Å
88A94.8Very high92.5Very high25 Ų2554.4 Ų54.421%0.20728%0.278CS..Hα-helixtrans-64.8-36.2178.500000112.9L46 T84 V90 E91 E92L46-A88 HydrophobicContact CD1-CB 4.24Å; L46-A88 HydrophobicContact CD2-CB 3.81Å; T84-A88 WeakPolarHBondContact O-CB 3.45Å; T84-A88 PolarHBondContact O-N 3.38Å; A88-V90 VanDerWaalsContact C-N 3.32Å; A88-V90 PolarHBondContact O-N 2.98Å; A88-E91 PolarHBondContact O-N 2.97Å; A88-E92 WeakPolarHBondContact O-CB 3.38Å; A88-E92 PolarHBondContact O-N 2.86Å
89Y94.9Very high92.1Very high8 Ų857 Ų573%0.03128%0.282CS..Hα-helixtrans-61.5-41174-174-84.9000111.7F17 A20 V21 I24 F43 L46 A85 M86 A87 M93F17-Y89 AromaticContact CD2-CD1 3.56Å; F17-Y89 HydrophobicContact CD2-CD1 3.56Å; F17-Y89 HydrophobicContact CD2-CD2 4.4Å; F17-Y89 HydrophobicContact CD2-CE1 4.12Å; F17-Y89 AromaticContact CD2-CG 3.72Å; F17-Y89 HydrophobicContact CD2-CG 3.72Å; F17-Y89 AromaticContact CE2-CD1 3.85Å; F17-Y89 HydrophobicContact CE2-CD1 3.85Å; F17-Y89 AromaticContact CE2-CD2 3.92Å; F17-Y89 HydrophobicContact CE2-CD2 3.92Å; F17-Y89 HydrophobicContact CE2-CE1 4.17Å; F17-Y89 HydrophobicContact CE2-CE2 4.25Å; F17-Y89 AromaticContact CE2-CG 3.7Å; F17-Y89 HydrophobicContact CE2-CG 3.7Å; A20-Y89 HydrophobicContact CB-CD1 3.92Å; A20-Y89 HydrophobicContact CB-CE1 3.62Å; V21-Y89 HydrophobicContact CG2-CE1 3.87Å; I24-Y89 WeakPolarHBondContact CD1-OH 3.17Å; F43-Y89 HydrophobicContact CB-CE2 3.99Å; F43-Y89 AromaticContact CD1-CD2 3.89Å; F43-Y89 HydrophobicContact CD1-CD2 3.89Å; F43-Y89 HydrophobicContact CD1-CE1 4.44Å; F43-Y89 AromaticContact CD1-CE2 3.66Å; F43-Y89 HydrophobicContact CD1-CE2 3.66Å; F43-Y89 HydrophobicContact CD1-CG 4.38Å; F43-Y89 AromaticContact CD1-CZ 3.98Å; F43-Y89 HydrophobicContact CG-CE2 4.28Å; F43-Y89 WeakPolarHBondContact O-CE2 3.35Å; L46-Y89 HydrophobicContact CB-CD2 3.95Å; A85-Y89 WeakPolarHBondContact O-CB 3.37Å; A85-Y89 PolarHBondContact O-N 3.11Å; M86-Y89 PolarHBondContact O-N 2.94Å; A87-Y89 PolarHBondContact O-N 2.86Å; Y89-M93 WeakPolarHBondContact O-CB 3.46Å; Y89-M93 PolarHBondContact O-N 3.22Å
90V92.6Very high91.4Very high12 Ų1249.1 Ų49.17%0.07325%0.245CC..Hα-helixtrans-69.4-36.6175.4168.60000111.7R16 A20 M86 A87 A88 M93 K94 I124R16-V90 HydrophobicContact CB-CG2 3.91Å; A20-V90 HydrophobicContact CB-CG2 4.48Å; M86-V90 WeakPolarHBondContact O-CG2 3.41Å; M86-V90 PolarHBondContact O-N 2.86Å; A87-V90 PolarHBondContact O-N 3.18Å; A88-V90 VanDerWaalsContact C-N 3.32Å; A88-V90 PolarHBondContact O-N 2.98Å; V90-M93 WeakPolarHBondContact O-CB 3.28Å; V90-M93 PolarHBondContact O-N 3.24Å; V90-K94 WeakPolarHBondContact O-CG 3.33Å; V90-K94 PolarHBondContact O-N 3.44Å; V90-K94 VanDerWaalsContact O-N 3.09Å; V90-I124 HydrophobicContact CG1-CD1 3.7Å; V90-I124 HydrophobicContact CG1-CG1 4.15Å; V90-I124 HydrophobicContact CG1-CG2 4.37Å; V90-I124 HydrophobicContact CG2-CD1 4.49Å
91E92.2Very high90.8Very high107 Ų10747.7 Ų47.750%0.524%0.238SC..Hα-helixtrans-65.5-43.8173.9-164.1-160.2119.300112A87 A88 M93 K94 K95A87-E91 PolarHBondContact O-N 3.5Å; A88-E91 PolarHBondContact O-N 2.97Å; E91-M93 VanDerWaalsContact C-N 3.32Å; E91-M93 PolarHBondContact O-N 3.47Å; E91-K94 WeakPolarHBondContact O-CB 3.43Å; E91-K94 PolarHBondContact O-N 3.48Å; E91-K94 VanDerWaalsContact O-N 3.09Å; E91-K95 PolarHBondContact O-N 3.02Å; E91-K95 WeakPolarHBondContact OE1-CE 3.31Å; E91-K95 IonicContact OE1-NZ 2.63Å; E91-K95 PolarHBondContact OE1-NZ 3.31Å
92E92.9Very high90.1Very high34 Ų3452.2 Ų52.216%0.15925%0.253CS..Hα-helixtrans-64.3-37.9177.4-149.878.9153.700111.2R42 F43 L46 A88 K94 K95 V96R42-E92 HydrophobicContact CB-CG 4.32Å; F43-E92 HydrophobicContact CE1-CB 3.99Å; F43-E92 HydrophobicContact CE1-CG 4.41Å; F43-E92 HydrophobicContact CZ-CB 4.42Å; L46-E92 HydrophobicContact CD1-CB 4.45Å; A88-E92 WeakPolarHBondContact O-CB 3.38Å; A88-E92 PolarHBondContact O-N 2.86Å; E92-K94 VanDerWaalsContact C-N 3.35Å; E92-K94 PolarHBondContact O-N 3.07Å; E92-K95 WeakPolarHBondContact O-CB 3.31Å; E92-K95 PolarHBondContact O-N 2.73Å; E92-K95 WeakPolarHBondContact OE2-CD 3.36Å; E92-K95 WeakPolarHBondContact OE2-CE 3.41Å; E92-K95 IonicContact OE2-NZ 2.69Å; E92-K95 PolarHBondContact OE2-NZ 2.82Å; E92-V96 WeakPolarHBondContact O-CG2 3.43Å; E92-V96 PolarHBondContact O-N 2.77Å
93M90.3Very high89.4Confident3 Ų351.8 Ų51.82%0.01526%0.257CS..Hα-helixtrans-58.2-42.9169.9179.865.781.300112A20 I24 F43 Y89 V90 E91 K95 V96 A97 F117 L120 M127A20-M93 HydrophobicContact CB-CE 4.02Å; I24-M93 HydrophobicContact CD1-CE 3.86Å; I24-M93 HydrophobicContact CG1-CE 3.46Å; I24-M93 VanDerWaalsContact CG1-CE 3.46Å; F43-M93 HydrophobicContact CE1-CB 4.21Å; F43-M93 HydrophobicContact CZ-CB 4.46Å; Y89-M93 WeakPolarHBondContact O-CB 3.46Å; Y89-M93 PolarHBondContact O-N 3.22Å; V90-M93 WeakPolarHBondContact O-CB 3.28Å; V90-M93 PolarHBondContact O-N 3.24Å; E91-M93 VanDerWaalsContact C-N 3.32Å; E91-M93 PolarHBondContact O-N 3.47Å; M93-K95 VanDerWaalsContact C-N 3.33Å; M93-K95 PolarHBondContact O-N 3.06Å; M93-V96 PolarHBondContact O-N 3.38Å; M93-A97 WeakPolarHBondContact O-CB 3.34Å; M93-A97 PolarHBondContact O-N 3.22Å; M93-F117 HydrophobicContact SD-CD1 4.42Å; M93-F117 HydrophobicContact SD-CE1 3.81Å; M93-L120 HydrophobicContact CE-CD1 4.22Å; M93-L120 HydrophobicContact CG-CD1 4.16Å; M93-L120 HydrophobicContact SD-CD1 4.24Å; M93-M127 HydrophobicContact CG-CE 4.14Å
94K88.5Confident88.5Confident41 Ų4147.3 Ų47.318%0.17824%0.236CC..Hα-helixtrans-64-35175.6-70-179.4179.8-164.60112.5V90 E91 E92 R98 D126 M127 P128V90-K94 WeakPolarHBondContact O-CG 3.33Å; V90-K94 PolarHBondContact O-N 3.44Å; V90-K94 VanDerWaalsContact O-N 3.09Å; E91-K94 WeakPolarHBondContact O-CB 3.43Å; E91-K94 PolarHBondContact O-N 3.48Å; E91-K94 VanDerWaalsContact O-N 3.09Å; E92-K94 VanDerWaalsContact C-N 3.35Å; E92-K94 PolarHBondContact O-N 3.07Å; K94-R98 WeakPolarHBondContact O-CB 3.44Å; K94-R98 PolarHBondContact O-N 3.31Å; K94-D126 WeakPolarHBondContact CD-O 3.3Å; K94-D126 WeakPolarHBondContact CE-O 3.11Å; K94-D126 PolarHBondContact NZ-O 3.1Å; K94-D126 IonicContact NZ-OD2 3.35Å; K94-D126 PolarHBondContact NZ-OD2 3.41Å; K94-M127 HydrophobicContact CG-CE 4.44Å; K94-P128 WeakPolarHBondContact O-CG 3.27Å
95K89.6Confident87.4Confident102 Ų10247.5 Ų47.544%0.44324%0.239SC..Hα-helixtrans-67.3-49.4176-65.5169-161.2158.70111.1E91 E92 M93 A97 R98 E99E91-K95 PolarHBondContact O-N 3.02Å; E91-K95 WeakPolarHBondContact OE1-CE 3.31Å; E91-K95 IonicContact OE1-NZ 2.63Å; E91-K95 PolarHBondContact OE1-NZ 3.31Å; E92-K95 WeakPolarHBondContact O-CB 3.31Å; E92-K95 PolarHBondContact O-N 2.73Å; E92-K95 WeakPolarHBondContact OE2-CD 3.36Å; E92-K95 WeakPolarHBondContact OE2-CE 3.41Å; E92-K95 IonicContact OE2-NZ 2.69Å; E92-K95 PolarHBondContact OE2-NZ 2.82Å; M93-K95 VanDerWaalsContact C-N 3.33Å; M93-K95 PolarHBondContact O-N 3.06Å; K95-A97 PolarHBondContact O-N 3.2Å; K95-R98 WeakPolarHBondContact O-CB 3.43Å; K95-R98 PolarHBondContact O-N 2.79Å; K95-R98 VanDerWaalsContact O-N 3.13Å; K95-E99 PolarHBondContact O-N 3.41Å
96V88.3Confident85.9Confident13 Ų1351.3 Ų51.38%0.07926%0.258CS..Hα-helixtrans-62.1-43178.4168.40000111.4Y33 V39 F43 E92 M93 R98 E99 V100Y33-V96 HydrophobicContact CE1-CG1 3.89Å; V39-V96 HydrophobicContact CG1-CG2 3.56Å; F43-V96 HydrophobicContact CE2-CG2 3.93Å; F43-V96 HydrophobicContact CZ-CB 4.32Å; F43-V96 HydrophobicContact CZ-CG2 3.93Å; E92-V96 WeakPolarHBondContact O-CG2 3.43Å; E92-V96 PolarHBondContact O-N 2.77Å; M93-V96 PolarHBondContact O-N 3.38Å; V96-R98 VanDerWaalsContact C-N 3.29Å; V96-R98 PolarHBondContact O-N 3.24Å; V96-E99 WeakPolarHBondContact O-CB 3.33Å; V96-E99 PolarHBondContact O-N 2.79Å; V96-V100 VanDerWaalsContact O-CG2 3.3Å; V96-V100 WeakPolarHBondContact O-CG2 3.38Å; V96-V100 PolarHBondContact O-N 3.14Å
97A84.8Confident84.8Confident1 Ų153.6 Ų53.61%0.00827%0.27CS..Hα-helixtrans-59.2-39.4173.900000112.3M93 K95 I101 P128M93-A97 WeakPolarHBondContact O-CB 3.34Å; M93-A97 PolarHBondContact O-N 3.22Å; K95-A97 PolarHBondContact O-N 3.2Å; A97-I101 WeakPolarHBondContact O-CD1 3.46Å; A97-I101 VanDerWaalsContact O-CG1 3.23Å; A97-I101 WeakPolarHBondContact O-CG1 3.35Å; A97-I101 PolarHBondContact O-N 3.15Å; A97-P128 HydrophobicContact CB-CG 4.15Å
98R85.4Confident83.9Confident144 Ų14459.7 Ų59.754%0.54329%0.293SS..Hα-helixtrans-67.4-42.3175.2-167.1-177.8-62173.20.7112.4K94 K95 V96 I101 H102 P128K94-R98 WeakPolarHBondContact O-CB 3.44Å; K94-R98 PolarHBondContact O-N 3.31Å; K95-R98 WeakPolarHBondContact O-CB 3.43Å; K95-R98 PolarHBondContact O-N 2.79Å; K95-R98 VanDerWaalsContact O-N 3.13Å; V96-R98 VanDerWaalsContact C-N 3.29Å; V96-R98 PolarHBondContact O-N 3.24Å; R98-I101 PolarHBondContact O-N 3.13Å; R98-H102 PolarHBondContact O-CD2 3.37Å; R98-H102 PolarHBondContact O-N 2.89Å; R98-H102 VanDerWaalsContact O-N 3.14Å; R98-P128 HydrophobicContact CB-CB 4.44Å; R98-P128 HydrophobicContact CB-CG 4.1Å
99E85.3Confident82.8Confident87 Ų8767 Ų6741%0.40732%0.316SS..Hα-helixtrans-58.3-48.8174.9-176.1-169.3-157.900110.8Y33 K95 V96 I101 H102 T103Y33-E99 PolarHBondContact OH-OE2 2.77Å; K95-E99 PolarHBondContact O-N 3.41Å; V96-E99 WeakPolarHBondContact O-CB 3.33Å; V96-E99 PolarHBondContact O-N 2.79Å; E99-I101 PolarHBondContact O-N 3.32Å; E99-H102 PolarHBondContact O-N 3.17Å; E99-H102 VanDerWaalsContact O-N 3.16Å; E99-T103 HydrophobicContact CG-CG2 4.18Å; E99-T103 WeakPolarHBondContact O-CB 3.12Å; E99-T103 WeakPolarHBondContact O-CG2 3.49Å; E99-T103 PolarHBondContact O-N 3.13Å; E99-T103 PolarHBondContact O-OG1 3.48Å
100V81.8Confident81.7Confident1 Ų166.9 Ų66.91%0.00632%0.316CS..Hα-helixtrans-55.4-48.1174.7169.60000111.4Y33 V96 H102 T103 M104 F113 F114Y33-V100 HydrophobicContact CD1-CG2 4.01Å; Y33-V100 HydrophobicContact CD2-CG2 3.62Å; Y33-V100 HydrophobicContact CE1-CG2 4.08Å; Y33-V100 HydrophobicContact CE2-CG2 3.7Å; Y33-V100 HydrophobicContact CG-CG2 3.78Å; V96-V100 VanDerWaalsContact O-CG2 3.3Å; V96-V100 WeakPolarHBondContact O-CG2 3.38Å; V96-V100 PolarHBondContact O-N 3.14Å; V100-H102 PolarHBondContact O-N 3.01Å; V100-T103 PolarHBondContact O-N 2.76Å; V100-M104 HydrophobicContact CG1-CG 4.17Å; V100-M104 HydrophobicContact CG1-SD 3.75Å; V100-M104 WeakPolarHBondContact O-CB 3.39Å; V100-M104 WeakPolarHBondContact O-CG 3.49Å; V100-M104 PolarHBondContact O-N 2.94Å; V100-M104 VanDerWaalsContact O-N 3.12Å; V100-F113 HydrophobicContact CG1-CD1 4.13Å; V100-F113 HydrophobicContact CG1-CE1 3.87Å; V100-F113 HydrophobicContact CG2-CE1 4.36Å; V100-F114 HydrophobicContact CG1-CE1 4.11Å; V100-F114 HydrophobicContact CG1-CZ 3.83Å
101I82.5Confident80.7Confident25 Ų2566.7 Ų66.713%0.12832%0.315CS..Hα-helixtrans-60.3-31.8179.5-71.8163.5000112.5A97 R98 E99 F114 P128 P131A97-I101 WeakPolarHBondContact O-CD1 3.46Å; A97-I101 VanDerWaalsContact O-CG1 3.23Å; A97-I101 WeakPolarHBondContact O-CG1 3.35Å; A97-I101 PolarHBondContact O-N 3.15Å; R98-I101 PolarHBondContact O-N 3.13Å; E99-I101 PolarHBondContact O-N 3.32Å; I101-F114 HydrophobicContact CB-CZ 4.48Å; I101-F114 HydrophobicContact CD1-CE1 4.3Å; I101-F114 HydrophobicContact CD1-CZ 4.42Å; I101-F114 HydrophobicContact CG1-CE1 3.73Å; I101-F114 HydrophobicContact CG1-CE2 4.47Å; I101-F114 HydrophobicContact CG1-CZ 3.43Å; I101-F114 VanDerWaalsContact CG1-CZ 3.43Å; I101-P128 HydrophobicContact CD1-CB 4.19Å; I101-P128 WeakPolarHBondContact CD1-O 3.45Å; I101-P131 HydrophobicContact CG2-CG 4.47Å
102H80.8Confident79.8Confident151 Ų15164.7 Ų64.770%0.69931%0.313SS*.Hα-helixtrans-92.2-22179.4-68.4-55.8000114.8R98 E99 V100R98-H102 PolarHBondContact O-CD2 3.37Å; R98-H102 PolarHBondContact O-N 2.89Å; R98-H102 VanDerWaalsContact O-N 3.14Å; E99-H102 PolarHBondContact O-N 3.17Å; E99-H102 VanDerWaalsContact O-N 3.16Å; V100-H102 PolarHBondContact O-N 3.01Å
103T81.1Confident78.9Confident90 Ų9063.6 Ų63.655%0.55231%0.308SS*.Hα-helixtrans-98.6-21.3-174.352.40000114E99 V100E99-T103 HydrophobicContact CG-CG2 4.18Å; E99-T103 WeakPolarHBondContact O-CB 3.12Å; E99-T103 WeakPolarHBondContact O-CG2 3.49Å; E99-T103 PolarHBondContact O-N 3.13Å; E99-T103 PolarHBondContact O-OG1 3.48Å; V100-T103 PolarHBondContact O-N 2.76Å
104M74.7Confident78.1Confident25 Ų2564.2 Ų64.212%0.12331%0.31CS..SBendtrans-92.7145-177-64.6-160.412500113.5S32 Y33 V100 T110S32-M104 WeakPolarHBondContact O-CE 3.48Å; S32-M104 VanDerWaalsContact OG-CE 3.28Å; S32-M104 WeakPolarHBondContact OG-CE 3.44Å; Y33-M104 VanDerWaalsContact N-CE 3.31Å; V100-M104 HydrophobicContact CG1-CG 4.17Å; V100-M104 HydrophobicContact CG1-SD 3.75Å; V100-M104 WeakPolarHBondContact O-CB 3.39Å; V100-M104 WeakPolarHBondContact O-CG 3.49Å; V100-M104 PolarHBondContact O-N 2.94Å; V100-M104 VanDerWaalsContact O-N 3.12Å; M104-T110 HydrophobicContact CB-CG2 3.73Å; M104-T110 HydrophobicContact CG-CG2 4.46Å; M104-T110 HydrophobicContact SD-CG2 3.96Å
105P70.8Confident77.4Confident80 Ų8066.6 Ų66.652%0.51932%0.322SS..  trans-66.6151.2167.830.4-34.9000110.8D107 T110P105-D107 PolarHBondContact O-N 3.02Å; P105-T110 VanDerWaalsContact O-CB 3.3Å; P105-T110 WeakPolarHBondContact O-CB 3.46Å; P105-T110 PolarHBondContact O-OG1 2.91Å
106M65.1Low76.6Confident80 Ų8064.9 Ų64.939%0.39432%0.315SS..SBendtrans-82.451.5-173.3-61.5-71-81.100112.3P131 S133 L134M106-P131 HydrophobicContact CE-CB 3.68Å; M106-P131 HydrophobicContact CE-CG 3.65Å; M106-P131 HydrophobicContact SD-CG 4.5Å; M106-S133 WeakPolarHBondContact CE-OG 3.21Å; M106-L134 HydrophobicContact CE-CD1 3.76Å; M106-L134 HydrophobicContact CE-CG 3.61Å; M106-L134 HydrophobicContact SD-CD1 3.61Å; M106-L134 HydrophobicContact SD-CG 3.92Å
107D71.9Confident75.9Confident66 Ų6664.5 Ų64.535%0.35331%0.313SS..  trans-92.9162.2-174.3-69-5.9000113P105 R109 T110 A111P105-D107 PolarHBondContact O-N 3.02Å; D107-R109 PolarHBondContact O-N 3.43Å; D107-R109 IonicContact OD2-NH1 3.23Å; D107-R109 PolarHBondContact OD2-NH1 3.01Å; D107-T110 WeakPolarHBondContact O-CA 3.35Å; D107-T110 VanDerWaalsContact O-CB 3.32Å; D107-T110 WeakPolarHBondContact O-CB 3.14Å; D107-T110 PolarHBondContact O-N 3.44Å; D107-A111 PolarHBondContact O-N 3.46Å
108E73.7Confident75.3Confident159 Ų15968.3 Ų68.374%0.74333%0.33SS*.Hα-helixtrans-53.5-32.8169.9-172.4-177.5-171.300113.4T110 A111 S112 L137E108-T110 VanDerWaalsContact C-N 3.33Å; E108-A111 WeakPolarHBondContact O-CB 3.31Å; E108-A111 PolarHBondContact O-N 3.4Å; E108-S112 PolarHBondContact O-N 2.88Å; E108-L137 HydrophobicContact CB-CD2 4.32Å
109R71.1Confident74.7Confident179 Ų17964.1 Ų64.168%0.67532%0.322SS*.Hα-helixtrans-69.5-30.8174.6-51.5-170.2-154.388.80.6112.7D107 S112 F113D107-R109 PolarHBondContact O-N 3.43Å; D107-R109 IonicContact OD2-NH1 3.23Å; D107-R109 PolarHBondContact OD2-NH1 3.01Å; R109-S112 PolarHBondContact O-OG 3.17Å; R109-S112 VanDerWaalsContact O-OG 3.05Å; R109-F113 PolarHBondContact O-N 3.42Å
110T72.6Confident74Confident5 Ų560 Ų603%0.03130%0.303CS..Hα-helixtrans-77.2-37.5176.9-50.10000109.8M104 P105 D107 E108 F113 F114 L134M104-T110 HydrophobicContact CB-CG2 3.73Å; M104-T110 HydrophobicContact CG-CG2 4.46Å; M104-T110 HydrophobicContact SD-CG2 3.96Å; P105-T110 VanDerWaalsContact O-CB 3.3Å; P105-T110 WeakPolarHBondContact O-CB 3.46Å; P105-T110 PolarHBondContact O-OG1 2.91Å; D107-T110 WeakPolarHBondContact O-CA 3.35Å; D107-T110 VanDerWaalsContact O-CB 3.32Å; D107-T110 WeakPolarHBondContact O-CB 3.14Å; D107-T110 PolarHBondContact O-N 3.44Å; E108-T110 VanDerWaalsContact C-N 3.33Å; T110-F113 WeakPolarHBondContact O-CB 3.45Å; T110-F113 PolarHBondContact O-N 2.93Å; T110-F114 HydrophobicContact CG2-CD2 4.24Å; T110-F114 HydrophobicContact CG2-CE2 3.73Å; T110-F114 WeakPolarHBondContact O-CD2 3.45Å; T110-F114 PolarHBondContact O-N 3.38Å; T110-L134 HydrophobicContact CG2-CD1 4.49Å
111A72.1Confident73.6Confident7 Ų762.3 Ų62.36%0.05831%0.311CS..Hα-helixtrans-58-45.5169.200000112.3D107 E108 F113 F114 H115 L134 V138D107-A111 PolarHBondContact O-N 3.46Å; E108-A111 WeakPolarHBondContact O-CB 3.31Å; E108-A111 PolarHBondContact O-N 3.4Å; A111-F113 VanDerWaalsContact C-N 3.3Å; A111-F113 PolarHBondContact O-N 3.27Å; A111-F114 PolarHBondContact O-N 2.86Å; A111-H115 PolarHBondContact O-N 3.2Å; A111-L134 HydrophobicContact CB-CD2 4.06Å; A111-V138 HydrophobicContact CB-CG2 3.83Å
112S73.6Confident73.2Confident66 Ų6669.8 Ų69.846%0.46234%0.338SS..Hα-helixtrans-67.8-26.6177.673.50000113.8E108 R109 H116E108-S112 PolarHBondContact O-N 2.88Å; R109-S112 PolarHBondContact O-OG 3.17Å; R109-S112 VanDerWaalsContact O-OG 3.05Å; S112-H116 PolarHBondContact O-CE1 3.16Å; S112-H116 PolarHBondContact O-ND1 2.94Å; S112-H116 VanDerWaalsContact O-ND1 3.13Å
113F73.8Confident72.9Confident10 Ų1063.8 Ų63.84%0.04431%0.312CS..Hα-helixtrans-64.3-48169.1-172.7-103.6000111.4L27 Y33 V100 R109 T110 A111 H115 H116 F117L27-F113 HydrophobicContact CD1-CZ 4.47Å; L27-F113 HydrophobicContact CD2-CE2 3.93Å; L27-F113 HydrophobicContact CD2-CZ 4.02Å; Y33-F113 HydrophobicContact CD1-CZ 4.42Å; V100-F113 HydrophobicContact CG1-CD1 4.13Å; V100-F113 HydrophobicContact CG1-CE1 3.87Å; V100-F113 HydrophobicContact CG2-CE1 4.36Å; R109-F113 PolarHBondContact O-N 3.42Å; T110-F113 WeakPolarHBondContact O-CB 3.45Å; T110-F113 PolarHBondContact O-N 2.93Å; A111-F113 VanDerWaalsContact C-N 3.3Å; A111-F113 PolarHBondContact O-N 3.27Å; F113-H115 VanDerWaalsContact C-N 3.29Å; F113-H115 PolarHBondContact O-N 3.45Å; F113-H116 WeakPolarHBondContact O-CB 3.39Å; F113-H116 PolarHBondContact O-N 3.02Å; F113-H116 PolarHBondContact O-ND1 3.34Å; F113-F117 AromaticContact CD1-CE2 3.86Å; F113-F117 HydrophobicContact CD1-CE2 3.86Å; F113-F117 HydrophobicContact CE1-CD2 4.48Å; F113-F117 AromaticContact CE1-CE2 3.42Å; F113-F117 HydrophobicContact CE1-CE2 3.42Å; F113-F117 VanDerWaalsContact CE1-CE2 3.42Å; F113-F117 AromaticContact CE1-CZ 3.86Å; F113-F117 HydrophobicContact CE1-CZ 3.86Å; F113-F117 AromaticContact CZ-CE2 3.85Å; F113-F117 HydrophobicContact CZ-CE2 3.85Å; F113-F117 HydrophobicContact CZ-CZ 4.12Å
114F73Confident72.5Confident16 Ų1659.5 Ų59.57%0.0729%0.286CS..Hα-helixtrans-63-25.3-176.9-76.8-61.7000115.2V100 I101 T110 A111 H116 F117 E118 P130 L134V100-F114 HydrophobicContact CG1-CE1 4.11Å; V100-F114 HydrophobicContact CG1-CZ 3.83Å; I101-F114 HydrophobicContact CB-CZ 4.48Å; I101-F114 HydrophobicContact CD1-CE1 4.3Å; I101-F114 HydrophobicContact CD1-CZ 4.42Å; I101-F114 HydrophobicContact CG1-CE1 3.73Å; I101-F114 HydrophobicContact CG1-CE2 4.47Å; I101-F114 HydrophobicContact CG1-CZ 3.43Å; I101-F114 VanDerWaalsContact CG1-CZ 3.43Å; T110-F114 HydrophobicContact CG2-CD2 4.24Å; T110-F114 HydrophobicContact CG2-CE2 3.73Å; T110-F114 WeakPolarHBondContact O-CD2 3.45Å; T110-F114 PolarHBondContact O-N 3.38Å; A111-F114 PolarHBondContact O-N 2.86Å; F114-H116 PolarHBondContact O-N 3.05Å; F114-H116 VanDerWaalsContact O-N 3.16Å; F114-F117 WeakPolarHBondContact O-CB 3.46Å; F114-F117 PolarHBondContact O-N 3.24Å; F114-E118 PolarHBondContact O-N 3.45Å; F114-P130 HydrophobicContact CD1-CB 4.42Å; F114-P130 HydrophobicContact CD2-CB 4.07Å; F114-P130 HydrophobicContact CE1-CB 4.39Å; F114-P130 HydrophobicContact CE2-CB 4.01Å; F114-P130 HydrophobicContact CG-CB 4.28Å; F114-P130 HydrophobicContact CG-CG 4.36Å; F114-P130 HydrophobicContact CZ-CB 4.2Å; F114-L134 HydrophobicContact CD2-CD1 3.87Å; F114-L134 HydrophobicContact CE2-CD1 3.61Å
115H74.2Confident72.2Confident91 Ų9164.2 Ų64.242%0.42131%0.311SS..G310 helixtrans-55.8-29.9171.5-85.1-69000113.6A111 F113 F117 E118 V138A111-H115 PolarHBondContact O-N 3.2Å; F113-H115 VanDerWaalsContact C-N 3.29Å; F113-H115 PolarHBondContact O-N 3.45Å; H115-F117 PolarHBondContact O-N 3.02Å; H115-E118 IonicContact ND1-OE2 3.5Å; H115-E118 WeakPolarHBondContact O-CB 3.42Å; H115-E118 PolarHBondContact O-N 3.22Å; H115-E118 VanDerWaalsContact O-N 3.16Å; H115-V138 VanDerWaalsContact CE1-CG1 3.48Å; H115-V138 WeakPolarHBondContact CE1-CG1 3.49Å; H115-V138 VanDerWaalsContact NE2-CG1 3.33Å; H115-V138 WeakPolarHBondContact NE2-CG1 3.39Å
116H72.5Confident72.2Confident66 Ų6665.4 Ų65.431%0.30631%0.313SS..G310 helixtrans-65.3-23.7177.1-6175000111.9V23 K26 L27 S112 F113 F114 P119V23-H116 WeakPolarHBondContact CG1-O 3.39Å; V23-H116 WeakPolarHBondContact CG2-O 3.3Å; K26-H116 PolarHBondContact O-CD2 2.92Å; L27-H116 HydrophobicContact CD2-CB 3.82Å; S112-H116 PolarHBondContact O-CE1 3.16Å; S112-H116 PolarHBondContact O-ND1 2.94Å; S112-H116 VanDerWaalsContact O-ND1 3.13Å; F113-H116 WeakPolarHBondContact O-CB 3.39Å; F113-H116 PolarHBondContact O-N 3.02Å; F113-H116 PolarHBondContact O-ND1 3.34Å; F114-H116 PolarHBondContact O-N 3.05Å; F114-H116 VanDerWaalsContact O-N 3.16Å; H116-P119 WeakPolarHBondContact O-CD 3.29Å
117F74.3Confident72.4Confident6 Ų662 Ų623%0.02630%0.296CS..G310 helixtrans-94-5.9178.3-61.8-101.9000113V23 L27 M93 F113 F114 H115 P119 L120 Y121V23-F117 HydrophobicContact CG1-CD1 3.94Å; V23-F117 HydrophobicContact CG1-CD2 4.45Å; V23-F117 HydrophobicContact CG1-CE1 4.02Å; V23-F117 HydrophobicContact CG1-CG 4.16Å; V23-F117 HydrophobicContact CG1-CZ 4.31Å; L27-F117 HydrophobicContact CD1-CZ 4.17Å; L27-F117 HydrophobicContact CD2-CD2 4.48Å; L27-F117 HydrophobicContact CD2-CE2 3.6Å; L27-F117 HydrophobicContact CD2-CZ 3.84Å; M93-F117 HydrophobicContact SD-CD1 4.42Å; M93-F117 HydrophobicContact SD-CE1 3.81Å; F113-F117 AromaticContact CD1-CE2 3.86Å; F113-F117 HydrophobicContact CD1-CE2 3.86Å; F113-F117 HydrophobicContact CE1-CD2 4.48Å; F113-F117 AromaticContact CE1-CE2 3.42Å; F113-F117 HydrophobicContact CE1-CE2 3.42Å; F113-F117 VanDerWaalsContact CE1-CE2 3.42Å; F113-F117 AromaticContact CE1-CZ 3.86Å; F113-F117 HydrophobicContact CE1-CZ 3.86Å; F113-F117 AromaticContact CZ-CE2 3.85Å; F113-F117 HydrophobicContact CZ-CE2 3.85Å; F113-F117 HydrophobicContact CZ-CZ 4.12Å; F114-F117 WeakPolarHBondContact O-CB 3.46Å; F114-F117 PolarHBondContact O-N 3.24Å; H115-F117 PolarHBondContact O-N 3.02Å; F117-P119 VanDerWaalsContact C-CD 3.41Å; F117-P119 VanDerWaalsContact C-N 3.3Å; F117-L120 HydrophobicContact CD1-CD1 3.87Å; F117-L120 WeakPolarHBondContact O-CA 3.32Å; F117-L120 VanDerWaalsContact O-CB 3.31Å; F117-L120 WeakPolarHBondContact O-CB 3.02Å; F117-L120 PolarHBondContact O-N 3.49Å; F117-Y121 HydrophobicContact CB-CD2 4.27Å; F117-Y121 HydrophobicContact CB-CE2 3.67Å; F117-Y121 WeakPolarHBondContact O-CD2 3.48Å; F117-Y121 PolarHBondContact O-N 3.3Å
118E72.1Confident72.3Confident81 Ų8160.1 Ų60.138%0.37929%0.288SS..Hα-helixtrans-53.2-39.1176.9-155.6-160.8131.900113.7F114 H115 L120 Y121 R122F114-E118 PolarHBondContact O-N 3.45Å; H115-E118 IonicContact ND1-OE2 3.5Å; H115-E118 WeakPolarHBondContact O-CB 3.42Å; H115-E118 PolarHBondContact O-N 3.22Å; H115-E118 VanDerWaalsContact O-N 3.16Å; E118-L120 PolarHBondContact O-N 3.25Å; E118-Y121 PolarHBondContact O-N 2.86Å; E118-R122 WeakPolarHBondContact O-CG 3.38Å; E118-R122 IonicContact OE1-CZ 2.77Å; E118-R122 IonicContact OE1-NE 3.41Å; E118-R122 PolarHBondContact OE1-NE 3.39Å; E118-R122 IonicContact OE1-NH2 3.78Å; E118-R122 PolarHBondContact OE1-NH2 3.46Å
119P72.8Confident72.2Confident56 Ų5658.3 Ų58.336%0.36428%0.283SS..Hα-helixtrans-65-22.8173.6-22.135.3000114.4H116 F117 V123H116-P119 WeakPolarHBondContact O-CD 3.29Å; F117-P119 VanDerWaalsContact C-CD 3.41Å; F117-P119 VanDerWaalsContact C-N 3.3Å; P119-V123 WeakPolarHBondContact O-CG2 3.19Å
120L69.3Low72.1Confident0 Ų050.1 Ų50.10%025%0.253CS..Hα-helixtrans-78.9-44.1177.6-82.5165.3000112.3A19 A20 V23 M93 F117 E118 R122 V123 I124 M127A19-L120 HydrophobicContact CB-CD2 3.87Å; A20-L120 HydrophobicContact CB-CD2 3.87Å; V23-L120 HydrophobicContact CB-CD1 3.69Å; V23-L120 HydrophobicContact CB-CG 4.33Å; V23-L120 HydrophobicContact CG1-CD1 3.93Å; V23-L120 HydrophobicContact CG2-CD1 3.57Å; V23-L120 HydrophobicContact CG2-CG 3.71Å; M93-L120 HydrophobicContact CE-CD1 4.22Å; M93-L120 HydrophobicContact CG-CD1 4.16Å; M93-L120 HydrophobicContact SD-CD1 4.24Å; F117-L120 HydrophobicContact CD1-CD1 3.87Å; F117-L120 WeakPolarHBondContact O-CA 3.32Å; F117-L120 VanDerWaalsContact O-CB 3.31Å; F117-L120 WeakPolarHBondContact O-CB 3.02Å; F117-L120 PolarHBondContact O-N 3.49Å; E118-L120 PolarHBondContact O-N 3.25Å; L120-R122 PolarHBondContact O-N 2.86Å; L120-R122 VanDerWaalsContact O-N 3.1Å; L120-V123 PolarHBondContact O-N 2.75Å; L120-I124 HydrophobicContact CD2-CD1 3.39Å; L120-I124 PolarHBondContact O-N 2.92Å; L120-M127 HydrophobicContact CB-CE 3.85Å; L120-M127 HydrophobicContact CB-SD 3.81Å; L120-M127 HydrophobicContact CD1-CE 4.14Å; L120-M127 HydrophobicContact CD1-SD 4.49Å; L120-M127 HydrophobicContact CD2-CE 4.16Å; L120-M127 HydrophobicContact CG-CE 4.29Å
121Y74.1Confident71.8Confident49 Ų4952.5 Ų52.519%0.19227%0.269CS..Hα-helixtrans-60-21.5177.1-65.1-70.9000112.9F117 E118 V123 M127 P128 L129F117-Y121 HydrophobicContact CB-CD2 4.27Å; F117-Y121 HydrophobicContact CB-CE2 3.67Å; F117-Y121 WeakPolarHBondContact O-CD2 3.48Å; F117-Y121 PolarHBondContact O-N 3.3Å; E118-Y121 PolarHBondContact O-N 2.86Å; Y121-V123 VanDerWaalsContact C-N 3.34Å; Y121-M127 HydrophobicContact CD1-CB 3.86Å; Y121-M127 HydrophobicContact CD1-CG 3.98Å; Y121-M127 HydrophobicContact CD1-SD 4.07Å; Y121-M127 HydrophobicContact CE1-CB 3.84Å; Y121-M127 HydrophobicContact CE1-CG 3.52Å; Y121-M127 HydrophobicContact CE1-SD 3.8Å; Y121-P128 WeakPolarHBondContact CE1-O 3.32Å; Y121-P128 PolarHBondContact OH-O 3.1Å; Y121-L129 HydrophobicContact CD1-CD2 3.79Å; Y121-L129 HydrophobicContact CD1-CG 4.49Å; Y121-L129 HydrophobicContact CE1-CD2 3.98Å; Y121-L129 HydrophobicContact CE1-CG 4.41Å; Y121-L129 HydrophobicContact CG-CD2 4.46Å
122R72.9Confident71.2Confident182 Ų18255.6 Ų55.669%0.68729%0.294SS*.THydrogen-bonded Turntrans-83.5-1.4174.6-62.5174.3-178.9-145.46114.8E118 L120E118-R122 WeakPolarHBondContact O-CG 3.38Å; E118-R122 IonicContact OE1-CZ 2.77Å; E118-R122 IonicContact OE1-NE 3.41Å; E118-R122 PolarHBondContact OE1-NE 3.39Å; E118-R122 IonicContact OE1-NH2 3.78Å; E118-R122 PolarHBondContact OE1-NH2 3.46Å; L120-R122 PolarHBondContact O-N 2.86Å; L120-R122 VanDerWaalsContact O-N 3.1Å
123V74.7Confident70.5Confident25 Ų2555.8 Ų55.815%0.15230%0.295CS..THydrogen-bonded Turntrans-135.2-21.9-173.6-172.90000112.1R15 R16 A19 P119 L120 Y121R15-V123 HydrophobicContact CG-CG1 3.89Å; R16-V123 HydrophobicContact CG-CG1 3.87Å; R16-V123 WeakPolarHBondContact CG-O 3.39Å; R16-V123 PolarHBondContact NE-O 3.3Å; A19-V123 HydrophobicContact CB-CB 4.4Å; A19-V123 HydrophobicContact CB-CG1 4.4Å; A19-V123 HydrophobicContact CB-CG2 4.4Å; P119-V123 WeakPolarHBondContact O-CG2 3.19Å; L120-V123 PolarHBondContact O-N 2.75Å; Y121-V123 VanDerWaalsContact C-N 3.34Å
124I74.4Confident69.8Low1 Ų155.5 Ų55.51%0.00529%0.294CS..  trans-127.396.9178.1-57.4157.7000108.3R16 V90 L120 D126 M127R16-I124 HydrophobicContact CB-CD1 4.28Å; R16-I124 HydrophobicContact CB-CG1 3.85Å; R16-I124 HydrophobicContact CG-CG1 3.63Å; V90-I124 HydrophobicContact CG1-CD1 3.7Å; V90-I124 HydrophobicContact CG1-CG1 4.15Å; V90-I124 HydrophobicContact CG1-CG2 4.37Å; V90-I124 HydrophobicContact CG2-CD1 4.49Å; L120-I124 HydrophobicContact CD2-CD1 3.39Å; L120-I124 PolarHBondContact O-N 2.92Å; I124-D126 PolarHBondContact O-N 3.17Å; I124-M127 HydrophobicContact CB-CB 4.5Å; I124-M127 HydrophobicContact CB-CE 4.23Å; I124-M127 HydrophobicContact CD1-CE 3.6Å; I124-M127 HydrophobicContact CG2-CB 4.17Å; I124-M127 HydrophobicContact CG2-CE 4.3Å; I124-M127 WeakPolarHBondContact O-CB 3.32Å; I124-M127 PolarHBondContact O-N 3.21Å
125D66.8Low69.1Low123 Ų12358.8 Ų58.866%0.65831%0.312SS*.THydrogen-bonded Turntrans-69.6-34.3-169-44.2-95.8000112.1R16 M127R16-D125 IonicContact CZ-OD2 3.99Å; R16-D125 IonicContact NH2-OD2 3.3Å; R16-D125 PolarHBondContact NH2-OD2 3.18Å; D125-M127 PolarHBondContact O-N 2.84Å
126D70.7Confident68.4Low105 Ų10558.9 Ų58.956%0.56132%0.319SS*.THydrogen-bonded Turntrans-96.842.3176.327.5-118.6000112.8K94 I124K94-D126 WeakPolarHBondContact CD-O 3.3Å; K94-D126 WeakPolarHBondContact CE-O 3.11Å; K94-D126 PolarHBondContact NZ-O 3.1Å; K94-D126 IonicContact NZ-OD2 3.35Å; K94-D126 PolarHBondContact NZ-OD2 3.41Å; I124-D126 PolarHBondContact O-N 3.17Å
127M70.7Confident67.6Low8 Ų860.2 Ų60.24%0.03933%0.328CS..SBendtrans-85.5138166.1-172.5165.8-76.800110.3M93 K94 L120 Y121 I124 D125 L129M93-M127 HydrophobicContact CG-CE 4.14Å; K94-M127 HydrophobicContact CG-CE 4.44Å; L120-M127 HydrophobicContact CB-CE 3.85Å; L120-M127 HydrophobicContact CB-SD 3.81Å; L120-M127 HydrophobicContact CD1-CE 4.14Å; L120-M127 HydrophobicContact CD1-SD 4.49Å; L120-M127 HydrophobicContact CD2-CE 4.16Å; L120-M127 HydrophobicContact CG-CE 4.29Å; Y121-M127 HydrophobicContact CD1-CB 3.86Å; Y121-M127 HydrophobicContact CD1-CG 3.98Å; Y121-M127 HydrophobicContact CD1-SD 4.07Å; Y121-M127 HydrophobicContact CE1-CB 3.84Å; Y121-M127 HydrophobicContact CE1-CG 3.52Å; Y121-M127 HydrophobicContact CE1-SD 3.8Å; I124-M127 HydrophobicContact CB-CB 4.5Å; I124-M127 HydrophobicContact CB-CE 4.23Å; I124-M127 HydrophobicContact CD1-CE 3.6Å; I124-M127 HydrophobicContact CG2-CB 4.17Å; I124-M127 HydrophobicContact CG2-CE 4.3Å; I124-M127 WeakPolarHBondContact O-CB 3.32Å; I124-M127 PolarHBondContact O-N 3.21Å; D125-M127 PolarHBondContact O-N 2.84Å; M127-L129 PolarHBondContact O-N 2.91Å; M127-L129 VanDerWaalsContact O-N 3.07Å
128P69.7Low66.7Low27 Ų2762.9 Ų62.918%0.17534%0.344CS..  trans-60114.4175.424.5-35.5000111K94 A97 R98 I101 Y121K94-P128 WeakPolarHBondContact O-CG 3.27Å; A97-P128 HydrophobicContact CB-CG 4.15Å; R98-P128 HydrophobicContact CB-CB 4.44Å; R98-P128 HydrophobicContact CB-CG 4.1Å; I101-P128 HydrophobicContact CD1-CB 4.19Å; I101-P128 WeakPolarHBondContact CD1-O 3.45Å; Y121-P128 WeakPolarHBondContact CE1-O 3.32Å; Y121-P128 PolarHBondContact OH-O 3.1Å
129L71.3Confident65.7Low121 Ų12166.4 Ų66.463%0.63436%0.361SS*.PPolyproline II helixtrans-73.3141.9177.1-72.4156.6000110.7Y121 M127Y121-L129 HydrophobicContact CD1-CD2 3.79Å; Y121-L129 HydrophobicContact CD1-CG 4.49Å; Y121-L129 HydrophobicContact CE1-CD2 3.98Å; Y121-L129 HydrophobicContact CE1-CG 4.41Å; Y121-L129 HydrophobicContact CG-CD2 4.46Å; M127-L129 PolarHBondContact O-N 2.91Å; M127-L129 VanDerWaalsContact O-N 3.07Å
130P68.1Low64.1Low7 Ų766 Ų665%0.04537%0.367CS..PPolyproline II helixtrans-65150.6169.330.3-34.8000109.8F114 L134 L135F114-P130 HydrophobicContact CD1-CB 4.42Å; F114-P130 HydrophobicContact CD2-CB 4.07Å; F114-P130 HydrophobicContact CE1-CB 4.39Å; F114-P130 HydrophobicContact CE2-CB 4.01Å; F114-P130 HydrophobicContact CG-CB 4.28Å; F114-P130 HydrophobicContact CG-CG 4.36Å; F114-P130 HydrophobicContact CZ-CB 4.2Å; P130-L134 HydrophobicContact CB-CD1 4.07Å; P130-L135 HydrophobicContact CG-CD2 4.04Å; P130-L135 HydrophobicContact CG-CG 4.35Å
131P66.3Low62.9Low56 Ų5672.2 Ų72.236%0.36441%0.407SS..PPolyproline II helixtrans-57.6143.7179.4-23.532.6000111.9I101 M106 S133 L134I101-P131 HydrophobicContact CG2-CG 4.47Å; M106-P131 HydrophobicContact CE-CB 3.68Å; M106-P131 HydrophobicContact CE-CG 3.65Å; M106-P131 HydrophobicContact SD-CG 4.5Å; P131-S133 PolarHBondContact O-N 3.5Å; P131-L134 PolarHBondContact O-N 3.29Å
132A61Low61.1Low71 Ų7180 Ų8059%0.58744%0.442SS*.Hα-helixtrans-54.9-25.1-172.800000114.3L134 L135 T136A132-L134 VanDerWaalsContact C-N 3.32Å; A132-L134 PolarHBondContact O-N 2.89Å; A132-L135 PolarHBondContact O-N 2.98Å; A132-L135 VanDerWaalsContact O-N 3.14Å; A132-T136 PolarHBondContact O-N 2.89Å; A132-T136 PolarHBondContact O-OG1 3.47Å
133S57.5Low59.4Low70 Ų7074.4 Ų74.449%0.4944%0.441SS..Hα-helixtrans-60.7-33.6174.346.80000114M106 P131 T136 L137M106-S133 WeakPolarHBondContact CE-OG 3.21Å; P131-S133 PolarHBondContact O-N 3.5Å; S133-T136 WeakPolarHBondContact CA-OG1 3.44Å; S133-T136 PolarHBondContact O-OG1 3.26Å; S133-L137 WeakPolarHBondContact O-CB 3.39Å; S133-L137 PolarHBondContact O-N 2.74Å; S133-L137 VanDerWaalsContact O-N 3.13Å
134L58.7Low57.5Low5 Ų585.1 Ų85.13%0.02648%0.479CS..Hα-helixtrans-71.6-39.3171.9-79.9170.4000111.5M106 T110 A111 F114 P130 P131 A132 L137 V138M106-L134 HydrophobicContact CE-CD1 3.76Å; M106-L134 HydrophobicContact CE-CG 3.61Å; M106-L134 HydrophobicContact SD-CD1 3.61Å; M106-L134 HydrophobicContact SD-CG 3.92Å; T110-L134 HydrophobicContact CG2-CD1 4.49Å; A111-L134 HydrophobicContact CB-CD2 4.06Å; F114-L134 HydrophobicContact CD2-CD1 3.87Å; F114-L134 HydrophobicContact CE2-CD1 3.61Å; P130-L134 HydrophobicContact CB-CD1 4.07Å; P131-L134 PolarHBondContact O-N 3.29Å; A132-L134 VanDerWaalsContact C-N 3.32Å; A132-L134 PolarHBondContact O-N 2.89Å; L134-L137 WeakPolarHBondContact O-CB 3.37Å; L134-L137 PolarHBondContact O-N 3.33Å; L134-L137 VanDerWaalsContact O-N 3.17Å; L134-V138 WeakPolarHBondContact O-CG2 3.42Å; L134-V138 PolarHBondContact O-N 3.34Å
135L59.7Low55.6Low85 Ų8593.2 Ų93.245%0.44552%0.517SS..Hα-helixtrans-65.1-39.3177.6-60.7175.8000111.3P130 A132 L137 V138 E139P130-L135 HydrophobicContact CG-CD2 4.04Å; P130-L135 HydrophobicContact CG-CG 4.35Å; A132-L135 PolarHBondContact O-N 2.98Å; A132-L135 VanDerWaalsContact O-N 3.14Å; L135-L137 VanDerWaalsContact C-N 3.32Å; L135-L137 PolarHBondContact O-N 2.95Å; L135-V138 WeakPolarHBondContact O-CB 3.36Å; L135-V138 PolarHBondContact O-N 2.97Å; L135-E139 PolarHBondContact O-N 3.07Å; L135-E139 VanDerWaalsContact O-N 3.14Å
136T59.1Low54.2Low92 Ų9294.8 Ų94.856%0.56452%0.52SS*.Hα-helixtrans-71.6-24.2173.353.40000113.4A132 S133 V138 E139A132-T136 PolarHBondContact O-N 2.89Å; A132-T136 PolarHBondContact O-OG1 3.47Å; S133-T136 WeakPolarHBondContact CA-OG1 3.44Å; S133-T136 PolarHBondContact O-OG1 3.26Å; T136-V138 VanDerWaalsContact C-N 3.35Å; T136-E139 PolarHBondContact O-N 3.47Å
137L55.7Low52.3Low95 Ų9595.5 Ų95.550%0.49753%0.528SS..Hα-helixtrans-71.8-32.9172.4-152.776.1000111.1E108 S133 L134 L135E108-L137 HydrophobicContact CB-CD2 4.32Å; S133-L137 WeakPolarHBondContact O-CB 3.39Å; S133-L137 PolarHBondContact O-N 2.74Å; S133-L137 VanDerWaalsContact O-N 3.13Å; L134-L137 WeakPolarHBondContact O-CB 3.37Å; L134-L137 PolarHBondContact O-N 3.33Å; L134-L137 VanDerWaalsContact O-N 3.17Å; L135-L137 VanDerWaalsContact C-N 3.32Å; L135-L137 PolarHBondContact O-N 2.95Å
138V54.5Low50.4Low61 Ų61101.5 Ų101.537%0.3756%0.56SS.*Hα-helixtrans-67.7-34.8171167.40000112A111 H115 L134 L135 T136 G140A111-V138 HydrophobicContact CB-CG2 3.83Å; H115-V138 VanDerWaalsContact CE1-CG1 3.48Å; H115-V138 WeakPolarHBondContact CE1-CG1 3.49Å; H115-V138 VanDerWaalsContact NE2-CG1 3.33Å; H115-V138 WeakPolarHBondContact NE2-CG1 3.39Å; L134-V138 WeakPolarHBondContact O-CG2 3.42Å; L134-V138 PolarHBondContact O-N 3.34Å; L135-V138 WeakPolarHBondContact O-CB 3.36Å; L135-V138 PolarHBondContact O-N 2.97Å; T136-V138 VanDerWaalsContact C-N 3.35Å; V138-G140 PolarHBondContact O-N 2.92Å
139E51.9Low48.4Very low156 Ų156103.6 Ų103.673%0.72959%0.586SS**THydrogen-bonded Turntrans-85.829.4179.5-64.5-167.5127.100114.2L135 T136L135-E139 PolarHBondContact O-N 3.07Å; L135-E139 VanDerWaalsContact O-N 3.14Å; T136-E139 PolarHBondContact O-N 3.47Å
140G39.5Very low46.3Very low47 Ų47103.4 Ų103.449%0.48560%0.596SS.*  trans-48.8146.7172.300000113.1V138 K142V138-G140 PolarHBondContact O-N 2.92Å; G140-K142 PolarHBondContact O-N 3.08Å
141P43.7Very low44.5Very low130 Ų130107.2 Ų107.284%0.84463%0.628SS**  trans-63.4106-14522.5-35.1000114.1G143P141-G143 PolarHBondContact O-N 2.91Å
142K37.2Very low42.7Very low212 Ų212112.2 Ų112.292%0.92265%0.651SS**  trans-60.4118.6167.2-132.4163.4-169.8163.30108.3G140G140-K142 PolarHBondContact O-N 3.08Å
143G35.4Very low41.2Very low65 Ų65113.1 Ų113.167%0.6766%0.659SS**  trans-59.2151.6-153.700000115.7P141 Q145P141-G143 PolarHBondContact O-N 2.91Å; G143-Q145 PolarHBondContact O-N 3.46Å
144R36.4Very low39.8Very low250 Ų250118.6 Ų118.694%0.94367%0.674SS**  trans-52106160.2-87.6-177.6168.6-175-2.6108.6Q146R144-Q146 PolarHBondContact O-N 2.85Å
145Q33.6Very low38.3Very low171 Ų171124.4 Ų124.480%0.79970%0.704SS**  trans-72.286.7162-163.474.265.400107.1G143 V147G143-Q145 PolarHBondContact O-N 3.46Å; Q145-V147 HydrophobicContact CG-CG2 3.96Å; Q145-V147 PolarHBondContact O-N 3.42Å; Q145-V147 VanDerWaalsContact O-N 3.17Å
146Q37.2Very low36.7Very low156 Ų156128.5 Ų128.573%0.72972%0.721SS**  trans-60116165.4177.8174.9-28.100107.3R144R144-Q146 PolarHBondContact O-N 2.85Å
147V32.3Very low35.1Very low121 Ų121127.4 Ų127.473%0.73373%0.728SS**  trans-119.4132.3169.9-178.90000106.3Q145Q145-V147 HydrophobicContact CG-CG2 3.96Å; Q145-V147 PolarHBondContact O-N 3.42Å; Q145-V147 VanDerWaalsContact O-N 3.17Å
148D29.9Very low33.7Very low134 Ų134131.9 Ų131.972%0.71775%0.746SS**  trans-80.1176.7-166.7-53.6-77000113.8
149G28.5Very low32.2Very low70 Ų70138.8 Ų138.872%0.72277%0.771SS**  trans99.675.413200000118.3
150S27.1Very low31Very low118 Ų118140.4 Ų140.483%0.82578%0.779SS**  41.6107.1120.1-173.70000120.4
151A30Very low30.3Very low87 Ų87146.7 Ų146.772%0.71980%0.796SS**  80.9128.313000000123.1
152D27.7Very low30.2Very low161 Ų161145.4 Ų145.486%0.86179%0.787SS**  trans94.4153.1132.9-109.7-56.3000123.4
153A30Very low30.3Very low90 Ų90139.7 Ų139.774%0.74477%0.772SS**  trans61.4117.7-176.600000117
154K28.3Very low30.1Very low184 Ų184144.5 Ų144.580%0.878%0.777SS**  cis107.5139.111.7-164.4-161.3177.4-1750113.4
155L27.6Very low29.6Very low128 Ų128140.2 Ų140.267%0.6777%0.767SS**  trans74147.3180-97.866000114.2
156Q25.9Very low29Very low170 Ų170137.2 Ų137.279%0.79477%0.765SS**  cis-165152.8-3.4-152.3162.514.200111
157G24.2Very low28.7Very low69 Ų69136 Ų13671%0.71176%0.762SS**  trans62.9154.8153.200000119.5
158E27.8Very low28.5Very low190 Ų190138 Ų13889%0.88876%0.764SS**  cis-145.5162.5-13-81.4176.452.700107.6
159K22.9Very low28.3Very low205 Ų205137.3 Ų137.389%0.89176%0.76SS**  trans-144.5129.5168.1-168.9178.5-177.9-176.50110.3
160Q25.8Very low28.2Very low190 Ų190139.4 Ų139.489%0.88876%0.763SS**  trans-125.3159.5174.4-111174.7-8.600111.8
161E25.3Very low28.1Very low180 Ų180141.2 Ų141.284%0.84176%0.764SS**  trans-85.3-175.6-170.3-109.3-176.973.300113.4
162P41.9Very low28.7Very low102 Ų102143.2 Ų143.266%0.66277%0.769SS**  cis-134.2-140.2-24.638.6-17.9000109
163P38.8Very low28.7Very low93 Ų93144 Ų14460%0.60477%0.768SS**  cis-132.2165.7-23.937.1-20000116.6
164Q29.9Very low29.4Very low165 Ų165144.8 Ų144.877%0.77177%0.765SS**  trans48.7149.7139.3-69.4154.6-36.300120.7
165E26.3Very low29.3Very low160 Ų160144 Ų14475%0.74877%0.765SS**  cis-150.7149.19.7-119.7148.8-160.500106.9
166C21.9Very low29.3Very low109 Ų109145.2 Ų145.274%0.73677%0.771SS**  cis73.6137.638.3-66.30000113.7
167L29.8Very low29.3Very low130 Ų130143.6 Ų143.668%0.68177%0.766SS**  cis-133.9-145.2-1.8-105.1155.1000108.4N169L167-N169 VanDerWaalsContact CD2-OD1 3.31Å; L167-N169 WeakPolarHBondContact CD2-OD1 3.26Å
168E28Very low29.3Very low164 Ų164147.6 Ų147.677%0.76677%0.768SS**  cis-169.7149.36.1-144.3156.79600106.8
169N27.1Very low29.2Very low119 Ų119143.9 Ų143.964%0.63676%0.759SS**  cis-166.8-178.2-23.3-104.2-8.1000109.4L167L167-N169 VanDerWaalsContact CD2-OD1 3.31Å; L167-N169 WeakPolarHBondContact CD2-OD1 3.26Å
170S25.3Very low29.4Very low113 Ų113141 Ų14179%0.7975%0.753SS**  trans98.494.4146.8-510000120.9
171D25.7Very low29.5Very low157 Ų157139.7 Ų139.784%0.8475%0.747SS**  trans-80.9173.8142.4-48.9-79.6000110.3
172P41.7Very low29.7Very low128 Ų128134.4 Ų134.483%0.83173%0.734SS**  -147.8165.176.338.9-19.8000117.8
173E29.5Very low28.9Very low179 Ų179137.6 Ų137.684%0.83674%0.74SS**  trans-71.9177.5164.3-120.8-178.1-16800112.2
174P44Very low28.5Very low106 Ų106140.4 Ų140.469%0.68875%0.749SS**  -157.4-163.952.737.3-10.1000119
175E26.9Very low28.3Very low167 Ų167142.4 Ų142.478%0.7876%0.755SS**  trans88117.8164.5-51.6-160.4150.200117.7
176L27.1Very low28.3Very low153 Ų153139.8 Ų139.880%0.80175%0.751SS**  77.913959-63.7169.8000112.6
177I26.6Very low28.7Very low136 Ų136141.5 Ų141.570%0.69775%0.752SS**  cis-161.5153.720.9-130.9158.2000113.5
178M24Very low28.7Very low153 Ų153140 Ų14075%0.75475%0.753SS**  trans56.5131.6154-77.8165.853.700126.6
179T25.2Very low29.1Very low113 Ų113139.5 Ų139.569%0.69375%0.754SS**  33.915412966.60000122.3
180D26.3Very low29.4Very low145 Ų145140 Ų14078%0.77576%0.763SS**  cis-161.4178.533.3-156.117000116.2
181E29.1Very low29.8Very low162 Ų162143.4 Ų143.476%0.75776%0.764SS**  trans-26.9134.5177.8-78.2-77.6108.100124.1
182A27.7Very low29.9Very low69 Ų69142.8 Ų142.857%0.5776%0.761SS**  88.3156.1120.200000126.7
183H26.3Very low29.5Very low169 Ų169142.1 Ų142.178%0.78276%0.759SS**  trans80.499.7158.4-67.8-62.5000123.7
184L29.3Very low29.4Very low152 Ų152136.9 Ų136.980%0.79675%0.753SS**  24.5130.5127-62.5171.2000120.8
185F25.9Very low28.6Very low206 Ų206139.4 Ų139.490%0.90477%0.767SS**  -160170.1123.3-112.5-71.3000112.5
186T28Very low28.8Very low106 Ų106136.8 Ų136.865%0.6577%0.767SS**  trans-105.7157.4-172.155.80000113.2
187N29.1Very low29.1Very low144 Ų144139.1 Ų139.177%0.7777%0.774SS**  167.5139.5120-81.6-15.5000117.1
188S29.1Very low29.2Very low99 Ų99136.3 Ų136.369%0.69278%0.779SS**  trans34.6117145.563.50000124.3
189I37.4Very low29.6Very low153 Ų153137.3 Ų137.379%0.78579%0.786SS**  31.4128.3113.1-57.5169.8000118.6
190P33.3Very low30.4Very low129 Ų129137.4 Ų137.484%0.83879%0.786SS**  -120.7158.6122-4.124.8000114.8
191K32.6Very low30.8Very low186 Ų186139 Ų13981%0.80979%0.794SS**  trans-124.3142.1163.4-96.1-172.7173.9-175.90108.6
192D27.7Very low31.5Very low144 Ų144137.2 Ų137.277%0.7779%0.794SS**  176136.2126-97.2-7.9000109.8
193S33.7Very low32.2Very low114 Ų114139.4 Ų139.480%0.79781%0.805SS**  70.1137.191.7106.40000114.1
194G26.9Very low33.6Very low69 Ų69138.8 Ų138.871%0.71181%0.807SS**  cis177155.1-6.200000110.7
195T27.3Very low34.6Very low158 Ų158136.3 Ų136.397%0.96980%0.803SS**  trans-147.4148.5-177.2-10.20000111.9
196S31.3Very low35.3Very low112 Ų112136 Ų13678%0.78380%0.804SS**  trans-152.1116.2-175.1162.90000111.9
197E33.1Very low36.1Very low203 Ų203135.7 Ų135.795%0.94981%0.806SS**  trans-135149.8152.5-69.1-163.9126.100108
198G29.4Very low37.1Very low77 Ų77138.3 Ų138.379%0.79481%0.814SS**  trans-120.8167.3-166.800000114.4
199L32.7Very low38.4Very low174 Ų174140.6 Ų140.691%0.91182%0.817SS**  trans-146.5146.3170.2-139.8148.3000110.7
200V41.4Very low38.4Very low115 Ų115141.2 Ų141.270%0.69781%0.814SS**  trans-77.6135.9-176176.70000111.3T202V200-T202 HydrophobicContact CG1-CG2 4.01Å
201L36.2Very low38.7Very low179 Ų179141.3 Ų141.394%0.93782%0.816SS**  trans-134.2121.5159.4-95.5168.6000109.9
202T42.2Very low39.2Very low124 Ų124138.7 Ų138.776%0.76181%0.811SS**  trans-113.5111.1176.650.70000109.5V200V200-T202 HydrophobicContact CG1-CG2 4.01Å
203S44Very low40.3Very low114 Ų114136.8 Ų136.880%0.79781%0.809SS**  trans-165.194.2164.8-163.10000111.2
204D54.4Low40.7Very low156 Ų156136.6 Ų136.683%0.83480%0.803SS**  trans-108.187.916567-50.9000110.2
205S51.2Low41.4Very low100 Ų100141.2 Ų141.270%0.69981%0.811SS**  trans-165.1106.3170.4-80.10000109.8
206E40.8Very low42.2Very low200 Ų200137.2 Ų137.294%0.93579%0.79SS**  -165.1163.5105.344.2-160.84800111.2
207S44Very low42.8Very low99 Ų99135.8 Ų135.869%0.69278%0.776SS**  trans-109.9105.2-159.658.90000113.5I209S207-I209 PolarHBondContact O-N 3.1Å
208E51Low43.5Very low199 Ų199132 Ų13293%0.9376%0.759SS**  trans-82.678.1171-63.9-152.7138.400111.8F210E208-F210 PolarHBondContact O-N 3.39Å
209I55.3Low44.1Very low147 Ų147136.6 Ų136.675%0.75476%0.759SS**  trans-8598.8168.7-57.6176.2000108.9S207S207-I209 PolarHBondContact O-N 3.1Å
210F37.8Very low44.5Very low167 Ų167134.7 Ų134.773%0.73275%0.749SS**  trans28111.4152.4-101.3-98.7000118.6E208 D212E208-F210 PolarHBondContact O-N 3.39Å; F210-D212 HydrophobicContact CD1-CB 3.68Å; F210-D212 HydrophobicContact CE1-CB 3.6Å
211C38.9Very low44.5Very low130 Ų130132.7 Ų132.788%0.87874%0.741SS**  trans-132.951.7147.7-84.50000110.4S213C211-S213 PolarHBondContact O-N 2.98Å
212D43.5Very low44.5Very low131 Ų131131.4 Ų131.470%0.70174%0.735SS**  trans-75.564.1177.3-169.222.6000111.6F210F210-D212 HydrophobicContact CD1-CB 3.68Å; F210-D212 HydrophobicContact CE1-CB 3.6Å
213S52.1Low44.2Very low105 Ų105131.4 Ų131.473%0.73473%0.729SS**  trans180104.4167.2-82.50000111.6C211C211-S213 PolarHBondContact O-N 2.98Å
214V40.9Very low43.9Very low109 Ų109136.1 Ų136.166%0.66174%0.735SS**  trans-170.983.6137.3-94.80000111.4S216V214-S216 PolarHBondContact O-N 3.17Å
215D41.1Very low43.2Very low166 Ų166135.3 Ų135.389%0.88873%0.729SS**  trans-69.480157.2-84.5-56.1000109.9
216S45.9Very low42.3Very low74 Ų74135.8 Ų135.852%0.51773%0.73SS.*  trans-145.7-1.3-179.3-73.10000115.3V214 E218V214-S216 PolarHBondContact O-N 3.17Å; S216-E218 VanDerWaalsContact C-N 3.33Å; S216-E218 PolarHBondContact O-N 3.49Å
217V43.5Very low41.7Very low82 Ų82132.9 Ų132.950%0.49773%0.726SS.*G310 helixtrans-77.5-13-179.9-850000114.4Y37 V66 Q219Y37-V217 HydrophobicContact CE2-CG1 4.1Å; V66-V217 HydrophobicContact CG1-CG1 4.38Å; V217-Q219 PolarHBondContact O-N 3.4Å
218E46.5Very low41.1Very low125 Ų125134.4 Ų134.458%0.58473%0.73SS**G310 helixtrans-75.7-16.8-171.4-56.6-160.814100115S216S216-E218 VanDerWaalsContact C-N 3.33Å; S216-E218 PolarHBondContact O-N 3.49Å
219Q43.1Very low40.1Very low172 Ų172133.8 Ų133.880%0.80473%0.725SS**G310 helixtrans-97.40.4-156.4-139.9176.719.800117.2V217V217-Q219 PolarHBondContact O-N 3.4Å
220L41.5Very low38.9Very low134 Ų134132.4 Ų132.470%0.70273%0.728SS**  trans-125.275.8179.2-76.8101.5000114.8
221S40.2Very low38.5Very low74 Ų74131.8 Ų131.852%0.51773%0.732SS.*  trans-109.1-4.3154.360.10000113.5K29 I223K29-S221 PolarHBondContact NZ-OG 3.06Å; S221-I223 PolarHBondContact O-N 3.46Å; S221-I223 VanDerWaalsContact O-N 3.09Å
222N37.6Very low38Very low151 Ų151128.4 Ų128.481%0.80772%0.719SS**  trans-89.164.4-172.8-71.42000112.7
223I35.3Very low37.1Very low125 Ų125131.2 Ų131.264%0.64173%0.726SS**  trans-114.594.3168-63.6-179000108.6S221 I225S221-I223 PolarHBondContact O-N 3.46Å; S221-I223 VanDerWaalsContact O-N 3.09Å; I223-I225 HydrophobicContact CG2-CD1 3.55Å; I223-I225 HydrophobicContact CG2-CG1 3.73Å; I223-I225 PolarHBondContact O-N 3.02Å
224K37Very low36Very low213 Ų213135.2 Ų135.293%0.92673%0.732SS**  trans-9188.3175.9-174.5177.5179.41780110
225I40.3Very low35.4Very low138 Ų138137.3 Ų137.371%0.70874%0.74SS**PPolyproline II helixtrans-94.5136.5172.1-71.2170.1000108.7I223I223-I225 HydrophobicContact CG2-CD1 3.55Å; I223-I225 HydrophobicContact CG2-CG1 3.73Å; I223-I225 PolarHBondContact O-N 3.02Å
226P32.1Very low34.7Very low111 Ų111135.4 Ų135.472%0.72174%0.74SS**PPolyproline II helixtrans-74.6144.4-170.528.8-35.8000113.6V228P226-V228 PolarHBondContact O-N 3.29Å
227V28.9Very low33.9Very low139 Ų139137 Ų13784%0.84275%0.75SS**PPolyproline II helixtrans-69.1119.1170.2175.30000109.7K229V227-K229 PolarHBondContact O-N 3.5Å
228V30.2Very low33.1Very low130 Ų130140.7 Ų140.779%0.78877%0.766SS**PPolyproline II helixtrans-73.5120.5169.6175.20000109.1P226 S230P226-V228 PolarHBondContact O-N 3.29Å; V228-S230 PolarHBondContact O-N 2.83Å
229K30.3Very low32.1Very low187 Ų187145.1 Ų145.181%0.81378%0.779SS**PPolyproline II helixtrans-76.6118.5171.4-99.2-178.7172.9177.60110.4V227V227-K229 PolarHBondContact O-N 3.5Å
230S31.2Very low31.6Very low118 Ų118142.3 Ų142.383%0.82578%0.775SS**  trans-83.4107.9164.842.30000110.5V228V228-S230 PolarHBondContact O-N 2.83Å
231N28.4Very low31Very low154 Ų154144.6 Ų144.682%0.82478%0.782SS**  trans-98.8135159.8-80.420.8000108.1
232G27.6Very low30.3Very low59 Ų59146.6 Ų146.661%0.60880%0.797SS**  trans-107.2166.4-164.500000116.8
233F26.3Very low29.8Very low190 Ų190145 Ų14583%0.83380%0.797SS**  trans43.3106.4150.5-69.1-79.8000120
234H28.1Very low30.4Very low189 Ų189145.3 Ų145.388%0.87581%0.807SS**  trans-130.2136.2133.1-31.3-38.2000108.5
235N27.6Very low29.8Very low153 Ų153138.2 Ų138.282%0.81880%0.795SS**  trans-104.3136.1169.6-90-16.9000109.7
236S27.7Very low29.3Very low126 Ų126141.5 Ų141.588%0.88181%0.807SS**  trans-159.5141.4149.243.10000111.7
237S27.9Very low29Very low106 Ų106139 Ų13974%0.74180%0.801SS**  trans-88.1149.8174.4174.20000110.4
238I27.5Very low29.1Very low160 Ų160139.4 Ų139.482%0.82180%0.804SS**  trans-169.5131.7140.9-100.9150.6000109.9
239Y25.1Very low28.9Very low219 Ų219140.6 Ų140.686%0.85980%0.801SS**  trans-90.8150.5161.5-92.6-86.5000108.9
240P33.4Very low29Very low113 Ų113137.9 Ų137.973%0.73479%0.794SS**  -141.6163.6108.436.8-24.2000114.9
241Q28.7Very low29.3Very low181 Ų181140.8 Ų140.885%0.84680%0.795SS**  trans-70.7149.6164.3-60.3171.8-11.700110.8
242S25.9Very low29.4Very low117 Ų117136.4 Ų136.482%0.81879%0.787SS**  -179148.2120.936.80000113.9
243S26.2Very low29.7Very low117 Ų117144.9 Ų144.982%0.81880%0.8SS**  trans-133.7177.8159.4-56.30000105.6
244P48.1Very low30.1Very low132 Ų132144.2 Ų144.286%0.85780%0.8SS**  cis-132.3-172.7-2.142.6-27.2000113.2
245G25.3Very low30.5Very low64 Ų64141.4 Ų141.466%0.6680%0.796SS**  trans158.1108.9152.600000118.1
246Q29.6Very low30.8Very low206 Ų206137.6 Ų137.696%0.96379%0.792SS**  trans54.9145.1146.8-57.4175.9-1.900119.9
247G25.6Very low31.3Very low58 Ų58137 Ų13760%0.59880%0.795SS**  cis167.2161.9-5.700000112.9
248T29.8Very low31.6Very low148 Ų148135.3 Ų135.391%0.90879%0.794SS**  trans69.3154.1-178.780.30000114.4
249H25.6Very low31.7Very low156 Ų156137.5 Ų137.572%0.72280%0.801SS**  cis-151.7143.114.3-177.7-108.9000111.5
250L34.3Very low32.1Very low129 Ų129130.8 Ų130.868%0.67580%0.799SS**  trans14.3145.5159.5-63.6-178000121.1
251Q37Very low32.2Very low179 Ų179128.5 Ų128.584%0.83680%0.796SS**  cis-179.2159.91.9172.21754.400107
252G30.5Very low32.7Very low63 Ų63129.6 Ų129.665%0.64980%0.801SS**  cis168.7-152.51.300000110.3
253R32.9Very low33.2Very low237 Ų237127.3 Ų127.389%0.89480%0.796SS**  trans72.1106.4177.8-167.6175.1-179153.21.6114.7
254Q36.2Very low33.7Very low176 Ų176126 Ų12682%0.82279%0.792SS**  65131.668.4-80.9-156.7-19.900115
255V34.8Very low33.3Very low130 Ų130127.9 Ų127.979%0.78879%0.789SS**  cis-147149.1-12.8-166.70000106.3
256G35.2Very low34.1Very low72 Ų72132.7 Ų132.774%0.74280%0.8SS**  141.7167.8102.100000113.7
257A37.4Very low34.3Very low115 Ų115126 Ų12695%0.9579%0.786SS**  trans-139.9163.8-168.600000113.5
258G33.8Very low34.6Very low70 Ų70133.5 Ų133.572%0.72280%0.802SS**  trans147.8126.9178.400000109.3
259Q31.2Very low34.6Very low205 Ų205132.2 Ų132.296%0.95880%0.798SS**  cis89.7113.618.1-161.6-176.817.300116.3
260G32.6Very low34.8Very low79 Ų79132 Ų13281%0.81481%0.807SS**  trans105152.9149.700000118.7
261G36.2Very low34.5Very low65 Ų65129.2 Ų129.267%0.6781%0.809SS**  trans87.5122.3172.500000114.5
262E37.8Very low34.4Very low203 Ų203129.2 Ų129.295%0.94981%0.81SS**  cis79.8140.219.4-49.3-174.8115.700116.9
263G37.5Very low34.9Very low69 Ų69132.3 Ų132.371%0.71182%0.818SS**  trans102.7122.6-172.700000112.3
264A36.7Very low34.8Very low89 Ų89132 Ų13274%0.73682%0.817SS**  cis73.6134.936.100000112.7
265E39.4Very low34.6Very low173 Ų173135.3 Ų135.381%0.80882%0.822SS**  cis-163.3-166.6-2.448.9-154.9108.800111.5
266D41.8Very low34.3Very low164 Ų164132.3 Ų132.388%0.87782%0.817SS**  trans66.9144.7177-76.3-35.9000120
267G34.1Very low33.8Very low65 Ų65140.7 Ų140.767%0.6783%0.827SS**  cis174.9149.2-9.200000116.6
268K31.8Very low33.3Very low216 Ų216143.8 Ų143.894%0.93982%0.821SS**  trans68.8138.6162.6-83.3168.4178.7159.10122.2
269C29.2Very low33.2Very low122 Ų122146.3 Ų146.382%0.82483%0.828SS**  trans-94.9166.3174.7-37.40000112.2
270V31Very low33Very low151 Ų151140 Ų14092%0.91582%0.818SS**  trans-176.1138.6139.4146.30000111.7
271G28.4Very low32.7Very low70 Ų70144.3 Ų144.372%0.72282%0.816SS**  trans85.4106140.500000121.1
272Q34.9Very low32.4Very low180 Ų180149.6 Ų149.684%0.84182%0.824SS**  trans-79.4159.6140.5-73.5-167.4-5.700109.7
273P40.6Very low32.1Very low127 Ų127143.5 Ų143.583%0.82582%0.815SS**  -144.7164.796.837.9-23.1000115.5
274R30.6Very low31.6Very low231 Ų231144.3 Ų144.387%0.87281%0.81SS**  trans-69.5142174.5-64.9177.5170.8-154.3-1.9113.1
275R32.3Very low31.2Very low246 Ų246151.3 Ų151.393%0.92882%0.819SS**  trans-142.3140.6140.5-75.4-174.7-77.7-127.8-2107.7
276G27.2Very low31.1Very low67 Ų67150.7 Ų150.769%0.69182%0.816SS**  cis121.680.12.700000111.3
277W25.4Very low30.6Very low247 Ų247146.3 Ų146.394%0.93681%0.81SS**  trans-132.2137.9170.3-80.483.9000109
278H26.4Very low30.2Very low181 Ų181155.1 Ų155.184%0.83882%0.823SS**  trans-141.5170176.9-114.5-98.6000107.8
279S31.7Very low30.3Very low123 Ų123156.6 Ų156.686%0.8682%0.823SS**  trans69.6140.1-165.778.80000113.6
280G27.4Very low30.4Very low72 Ų72154.7 Ų154.774%0.74282%0.824SS**  cis170.1177.3-8.800000114.2
281Q27.1Very low30.5Very low169 Ų169159.2 Ų159.279%0.7982%0.824SS**  trans70.990.8162.9-158.9155.321.700118.4
282E30.1Very low30.6Very low176 Ų176158.9 Ų158.982%0.82282%0.821SS**  75.4151.1119.7-156.2158.3-147.100118.3
283G29.4Very low30.6Very low75 Ų75157.3 Ų157.377%0.77382%0.823SS**  trans-133.3171.7-167.100000114.1
284S27.2Very low30.9Very low86 Ų86157.1 Ų157.160%0.60182%0.822SS**  trans-151.1125.5168.3179.30000110.5H286S284-H286 PolarHBondContact O-N 2.68Å; S284-H286 PolarHBondContact OG-NE2 3.38Å
285Y28.9Very low31Very low236 Ų236155.3 Ų155.393%0.92582%0.823SS**  trans-83.4100.8172.4-76.4-93.9000109.9G287Y285-G287 PolarHBondContact O-N 2.67Å
286H36.7Very low30.9Very low160 Ų160146.9 Ų146.974%0.74181%0.813SS**  trans-81.882.5173-80.7-74.3000112.1S284S284-H286 PolarHBondContact O-N 2.68Å; S284-H286 PolarHBondContact OG-NE2 3.38Å
287G31.3Very low31.2Very low73 Ų73149.5 Ų149.575%0.75382%0.821SS**  trans-70.9137.5165.600000112Y285Y285-G287 PolarHBondContact O-N 2.67Å
288W27.7Very low32.2Very low250 Ų250143.8 Ų143.895%0.94782%0.815SS**  trans-88.5120.4-179.7-73.280.7000112.2
289R32.8Very low32.5Very low246 Ų246145.9 Ų145.993%0.92882%0.816SS**  trans-148.1148.6162-79.6-152-163-85.311112.3
290G30.6Very low32.6Very low82 Ų82150.1 Ų150.185%0.84581%0.813SS**  trans85.7114.6134.200000119.4
291R34.2Very low32.8Very low247 Ų247154.6 Ų154.693%0.93282%0.817SS**  trans-155.1100168.3-176.8-146.3-63.2-108.83.8110.3
292G31.1Very low33.3Very low63 Ų63150.8 Ų150.865%0.64981%0.814SS**  cis114.8136.5-5.500000113.9
293V34.1Very low34.2Very low146 Ų146148.6 Ų148.689%0.88582%0.815SS**  trans71.9144173.4177.10000114.5
294P47.6Very low34.4Very low123 Ų123148.7 Ų148.780%0.79982%0.816SS**  cis-119.3167.69.821.12000117.2
295Q32.5Very low34.7Very low193 Ų193148.5 Ų148.590%0.90283%0.828SS**  trans-108138.4163.9179.1-176.380.100109
296G30.6Very low35Very low69 Ų69141.3 Ų141.371%0.71183%0.826SS**PPolyproline II helixtrans-100.7143.917700000113
297S33.4Very low35.2Very low123 Ų123138 Ų13886%0.8683%0.834SS**PPolyproline II helixtrans-89138.5-176.5-430000113.9
298P45.2Very low35.5Very low126 Ų126138.2 Ų138.282%0.81884%0.837SS**PPolyproline II helixtrans-94.5148.9159.434.7-30.3000112
299R33.4Very low36.6Very low225 Ų225133.8 Ų133.885%0.84984%0.838SS**  trans-129.5135.8168.2-83.7-167.9-177.6-132.39.3110.3
300R33Very low37Very low212 Ų212125.8 Ų125.880%0.883%0.831SS**  trans64.6143.6161.8-108.5-163.9-88.1-110.87.7114.6
301M31.6Very low38Very low167 Ų167134.5 Ų134.582%0.82384%0.839SS**  cis-142.1168.212.8-73.6-174.3165.100111.1
302A38.2Very low38.4Very low88 Ų88126.5 Ų126.573%0.72783%0.833SS**  trans-97.7158.5153.200000108.6
303P48.7Very low39.6Very low130 Ų130127.8 Ų127.884%0.84485%0.846SS**  -149.3160.880.239.4-22.5000116.9
304G33.8Very low40.1Very low77 Ų77124.7 Ų124.779%0.79484%0.844SS**  99.9106129.600000120.2
305G33.6Very low40.5Very low83 Ų83126.4 Ų126.486%0.85685%0.846SS**  93.3153.1124.700000119.6
306G35.3Very low41.6Very low85 Ų85120.3 Ų120.388%0.87684%0.835SS**  trans90.9120.5164.500000115.4
307G40.5Very low42.7Very low89 Ų89122.8 Ų122.892%0.91884%0.841SS**  trans-95.9162.7163.400000111.3
308G38.1Very low43.7Very low79 Ų79125.9 Ų125.981%0.81484%0.842SS**  trans-172122.3174.200000112.3
309T49.7Very low44.1Very low157 Ų157121.5 Ų121.596%0.96382%0.82SS**  trans-77.6119.7170.848.40000109.9
310G43Very low45.2Very low77 Ų77112.8 Ų112.879%0.79480%0.8SS**  trans-133.9119.9177.700000112.1
311R49.8Very low46.3Very low266 Ų266106.1 Ų106.1100%1.00479%0.79SS**  trans-81.8121.5167.3-95.6-176164.4-149.3-1.5109.6
312G43.1Very low47.6Very low78 Ų78105.4 Ų105.480%0.80479%0.785SS**  trans-161.6133.3161.200000106.9
313G55.8Low48.7Very low90 Ų90110.2 Ų110.293%0.92878%0.784SS**  cis104.743.723.300000110.5
314G45.5Very low49.4Very low81 Ų81110.2 Ų110.284%0.83578%0.776SS**  trans-13586.2-17800000109.9
315D56Low51.3Low160 Ų160113.4 Ų113.486%0.85677%0.77SS**  trans-88.2141.7174.6-178.115.7000110.6
316G56.2Low53.6Low64 Ų64113.9 Ų113.966%0.6675%0.75SS**  trans22.8100.6163.200000120
317S53.4Low56Low121 Ų121113.6 Ų113.685%0.84673%0.731SS**  trans-145.319.4160.7-80.50000116.2
318E53Low58.3Low189 Ų189113.7 Ų113.788%0.88371%0.708SS**SBendtrans-93.9-22170.2-65.1-170.5112.200113.1G320E318-G320 PolarHBondContact O-N 2.69Å
319G53.7Low60.7Low33 Ų33113.9 Ų113.934%0.3469%0.69SS.*Hα-helixtrans-72.313.2179.900000116.3R323G319-R323 VanDerWaalsContact O-CD 3.28Å; G319-R323 WeakPolarHBondContact O-CD 3.34Å; G319-R323 VanDerWaalsContact O-CG 3.23Å; G319-R323 WeakPolarHBondContact O-CG 3.48Å; G319-R323 PolarHBondContact O-NE 3.25Å
320G56.4Low62.7Low42 Ų42110.9 Ų110.943%0.43367%0.665SS.*Hα-helixtrans-81.3-44.917900000113.3E318 R323 L324E318-G320 PolarHBondContact O-N 2.69Å; G320-R323 PolarHBondContact O-N 2.88Å; G320-L324 PolarHBondContact O-N 3.46Å
321A57Low65.1Low72 Ų72112.9 Ų112.960%0.59565%0.654SS**Hα-helixtrans-68.7-41.8-176.200000112.4L324 H325A321-L324 PolarHBondContact O-N 2.69Å; A321-H325 PolarHBondContact O-N 3.45Å
322E59.2Low67.1Low152 Ų152105 Ų10571%0.7163%0.628SS**Hα-helixtrans-63.5-41.1177-69.3-166.713300112.3L324 H325 E326E322-L324 VanDerWaalsContact C-N 3.27Å; E322-L324 PolarHBondContact O-N 3.1Å; E322-H325 CarbonylContact O-C 3.6Å; E322-H325 PolarHBondContact O-N 3.45Å; E322-H325 VanDerWaalsContact O-N 3.07Å; E322-E326 WeakPolarHBondContact O-CB 3.28Å; E322-E326 PolarHBondContact O-N 2.99Å
323R60.7Low69.5Low190 Ų190105.3 Ų105.372%0.71761%0.61SS**Hα-helixtrans-62.4-33.7176.9-69.8176.2-162.7-168.35.7112.6G319 G320 T327G319-R323 VanDerWaalsContact O-CD 3.28Å; G319-R323 WeakPolarHBondContact O-CD 3.34Å; G319-R323 VanDerWaalsContact O-CG 3.23Å; G319-R323 WeakPolarHBondContact O-CG 3.48Å; G319-R323 PolarHBondContact O-NE 3.25Å; G320-R323 PolarHBondContact O-N 2.88Å; R323-T327 WeakPolarHBondContact O-CB 3.41Å; R323-T327 WeakPolarHBondContact O-CG2 3.47Å; R323-T327 PolarHBondContact O-N 3.45Å; R323-T327 PolarHBondContact O-OG1 3.09Å
324L64.1Low71.4Confident129 Ų129105.2 Ų105.268%0.67559%0.588SS**Hα-helixtrans-72.4-34.4173.8-67.3175000112.1G320 A321 E322 T327 H328G320-L324 PolarHBondContact O-N 3.46Å; A321-L324 PolarHBondContact O-N 2.69Å; E322-L324 VanDerWaalsContact C-N 3.27Å; E322-L324 PolarHBondContact O-N 3.1Å; L324-T327 WeakPolarHBondContact CA-OG1 3.49Å; L324-T327 PolarHBondContact O-OG1 3Å; L324-H328 WeakPolarHBondContact O-CB 3.47Å; L324-H328 PolarHBondContact O-N 2.91Å; L324-H328 VanDerWaalsContact O-N 3.16Å
325H74.1Confident73.7Confident145 Ų145105.5 Ų105.567%0.67157%0.57SS**Hα-helixtrans-69.8-44.5173.2-121.883.4000112.2A321 E322 H328 L329A321-H325 PolarHBondContact O-N 3.45Å; E322-H325 CarbonylContact O-C 3.6Å; E322-H325 PolarHBondContact O-N 3.45Å; E322-H325 VanDerWaalsContact O-N 3.07Å; H325-H328 PolarHBondContact O-N 3.45Å; H325-L329 WeakPolarHBondContact O-CB 2.92Å; H325-L329 PolarHBondContact O-N 3.48Å
326E81.1Confident75.5Confident92 Ų92100.6 Ų100.643%0.4355%0.552SS.*Hα-helixtrans-64.7-44.7179.2-18056.7-156.800111.5E322 H328 L329 Q330E322-E326 WeakPolarHBondContact O-CB 3.28Å; E322-E326 PolarHBondContact O-N 2.99Å; E326-H328 VanDerWaalsContact C-N 3.3Å; E326-H328 PolarHBondContact O-N 3.09Å; E326-L329 PolarHBondContact O-N 3.06Å; E326-Q330 WeakPolarHBondContact O-CB 3.33Å; E326-Q330 VanDerWaalsContact O-CG 3.29Å; E326-Q330 WeakPolarHBondContact O-CG 3.48Å; E326-Q330 PolarHBondContact O-N 3.37Å; E326-Q330 WeakPolarHBondContact OE1-CG 3.49Å; E326-Q330 PolarHBondContact OE1-NE2 3.17Å
327T84.7Confident77.3Confident79 Ų79102.7 Ų102.749%0.48555%0.547SS..Hα-helixtrans-64.8-33.7174.448.70000112.5R323 L324 Q331R323-T327 WeakPolarHBondContact O-CB 3.41Å; R323-T327 WeakPolarHBondContact O-CG2 3.47Å; R323-T327 PolarHBondContact O-N 3.45Å; R323-T327 PolarHBondContact O-OG1 3.09Å; L324-T327 WeakPolarHBondContact CA-OG1 3.49Å; L324-T327 PolarHBondContact O-OG1 3Å; T327-Q331 VanDerWaalsContact O-CB 3.31Å; T327-Q331 WeakPolarHBondContact O-CB 3.49Å; T327-Q331 PolarHBondContact O-N 3.13Å
328H89.8Confident79.2Confident92 Ų92104.9 Ų104.943%0.42654%0.537SS..Hα-helixtrans-68.1-43.4172.2-170.655.9000112.3L324 H325 E326 Q331 Q332L324-H328 WeakPolarHBondContact O-CB 3.47Å; L324-H328 PolarHBondContact O-N 2.91Å; L324-H328 VanDerWaalsContact O-N 3.16Å; H325-H328 PolarHBondContact O-N 3.45Å; E326-H328 VanDerWaalsContact C-N 3.3Å; E326-H328 PolarHBondContact O-N 3.09Å; H328-Q331 PolarHBondContact O-N 3.06Å; H328-Q332 PolarHBondContact NE2-NE2 3.46Å; H328-Q332 WeakPolarHBondContact O-CG 3.48Å; H328-Q332 PolarHBondContact O-N 2.63Å
329L89.4Confident81.1Confident82 Ų82104.7 Ų104.743%0.42953%0.528SS..Hα-helixtrans-60.7-48.8176.4-173.573000111.1H325 E326 Q331 Q332 I333H325-L329 WeakPolarHBondContact O-CB 2.92Å; H325-L329 PolarHBondContact O-N 3.48Å; E326-L329 PolarHBondContact O-N 3.06Å; L329-Q331 VanDerWaalsContact C-N 3.31Å; L329-Q331 PolarHBondContact O-N 3.21Å; L329-Q332 WeakPolarHBondContact O-CB 3.33Å; L329-Q332 PolarHBondContact O-N 3.16Å; L329-I333 HydrophobicContact CG-CD1 4.02Å; L329-I333 VanDerWaalsContact O-CG1 3.31Å; L329-I333 WeakPolarHBondContact O-CG1 3.32Å; L329-I333 PolarHBondContact O-N 3.19Å
330Q91.6Very high83.1Confident95 Ų95108 Ų10844%0.44454%0.537SS..Hα-helixtrans-59.5-40.5175.1-70.7179.59.800111.9E326 I333 I334E326-Q330 WeakPolarHBondContact O-CB 3.33Å; E326-Q330 VanDerWaalsContact O-CG 3.29Å; E326-Q330 WeakPolarHBondContact O-CG 3.48Å; E326-Q330 PolarHBondContact O-N 3.37Å; E326-Q330 WeakPolarHBondContact OE1-CG 3.49Å; E326-Q330 PolarHBondContact OE1-NE2 3.17Å; Q330-I333 PolarHBondContact O-N 3.17Å; Q330-I334 WeakPolarHBondContact O-CD1 3.44Å; Q330-I334 VanDerWaalsContact O-CG1 3.26Å; Q330-I334 WeakPolarHBondContact O-CG1 3.1Å; Q330-I334 PolarHBondContact O-N 3.02Å
331Q92.5Very high84.8Confident119 Ų119114.2 Ų114.256%0.55655%0.547SS*.Hα-helixtrans-65.2-40.3175.6-168178.138.900112.2T327 H328 L329 I334 L335T327-Q331 VanDerWaalsContact O-CB 3.31Å; T327-Q331 WeakPolarHBondContact O-CB 3.49Å; T327-Q331 PolarHBondContact O-N 3.13Å; H328-Q331 PolarHBondContact O-N 3.06Å; L329-Q331 VanDerWaalsContact C-N 3.31Å; L329-Q331 PolarHBondContact O-N 3.21Å; Q331-I334 PolarHBondContact O-N 2.77Å; Q331-L335 HydrophobicContact CG-CD1 4.49Å; Q331-L335 VanDerWaalsContact O-CG 3.32Å; Q331-L335 WeakPolarHBondContact O-CG 3.38Å; Q331-L335 PolarHBondContact O-N 3.16Å
332Q92.6Very high86.6Confident100 Ų100115.7 Ų115.747%0.46754%0.542SS..Hα-helixtrans-63.1-44.2173.2-72.4-176.4-6.100111.8H328 L329 L335 A336H328-Q332 PolarHBondContact NE2-NE2 3.46Å; H328-Q332 WeakPolarHBondContact O-CG 3.48Å; H328-Q332 PolarHBondContact O-N 2.63Å; L329-Q332 WeakPolarHBondContact O-CB 3.33Å; L329-Q332 PolarHBondContact O-N 3.16Å; Q332-L335 PolarHBondContact O-N 3.07Å; Q332-A336 WeakPolarHBondContact O-CB 3.42Å; Q332-A336 PolarHBondContact O-N 3.01Å
333I93.4Very high88.4Confident84 Ų84113.2 Ų113.243%0.43153%0.534SS..Hα-helixtrans-60.8-46.1176.9-69.2163.9000110.7L329 Q330 L335 A336 L337L329-I333 HydrophobicContact CG-CD1 4.02Å; L329-I333 VanDerWaalsContact O-CG1 3.31Å; L329-I333 WeakPolarHBondContact O-CG1 3.32Å; L329-I333 PolarHBondContact O-N 3.19Å; Q330-I333 PolarHBondContact O-N 3.17Å; I333-L335 VanDerWaalsContact C-N 3.32Å; I333-L335 PolarHBondContact O-N 3.42Å; I333-A336 PolarHBondContact O-N 3.18Å; I333-L337 HydrophobicContact CG2-CD1 3.79Å; I333-L337 HydrophobicContact CG2-CG 4.29Å; I333-L337 WeakPolarHBondContact O-CB 3.29Å; I333-L337 WeakPolarHBondContact O-CG 3.44Å; I333-L337 PolarHBondContact O-N 3.43Å
334I95.2Very high89.9Confident88 Ų88109.7 Ų109.745%0.45153%0.527SS..Hα-helixtrans-61.9-39.5177.5-69.2163.9000111.3Q330 Q331 R338Q330-I334 WeakPolarHBondContact O-CD1 3.44Å; Q330-I334 VanDerWaalsContact O-CG1 3.26Å; Q330-I334 WeakPolarHBondContact O-CG1 3.1Å; Q330-I334 PolarHBondContact O-N 3.02Å; Q331-I334 PolarHBondContact O-N 2.77Å; I334-R338 WeakPolarHBondContact O-CG 3.48Å; I334-R338 PolarHBondContact O-N 3.29Å; I334-R338 VanDerWaalsContact O-N 3.09Å
335L94.1Very high91.3Very high88 Ų88110 Ų11046%0.46152%0.519SS..Hα-helixtrans-68.1-39.6175.8-73.1170.6000112.3Q331 Q332 I333 R339Q331-L335 HydrophobicContact CG-CD1 4.49Å; Q331-L335 VanDerWaalsContact O-CG 3.32Å; Q331-L335 WeakPolarHBondContact O-CG 3.38Å; Q331-L335 PolarHBondContact O-N 3.16Å; Q332-L335 PolarHBondContact O-N 3.07Å; I333-L335 VanDerWaalsContact C-N 3.32Å; I333-L335 PolarHBondContact O-N 3.42Å; L335-R339 WeakPolarHBondContact O-CG 3.3Å; L335-R339 PolarHBondContact O-N 3.19Å
336A93.6Very high92.2Very high57 Ų57105.7 Ų105.747%0.47151%0.506SS..Hα-helixtrans-64.8-46.7175.500000111.8Q332 I333 R338 R339 L340Q332-A336 WeakPolarHBondContact O-CB 3.42Å; Q332-A336 PolarHBondContact O-N 3.01Å; I333-A336 PolarHBondContact O-N 3.18Å; A336-R338 VanDerWaalsContact C-N 3.34Å; A336-R338 PolarHBondContact O-N 2.93Å; A336-R339 PolarHBondContact O-N 2.9Å; A336-L340 WeakPolarHBondContact O-CB 3.42Å; A336-L340 PolarHBondContact O-N 3.32Å
337L93.5Very high92.9Very high107 Ų107104.9 Ų104.956%0.5651%0.506SS*.Hα-helixtrans-64.2-35178.5-70.8173.2000112.9I333 R341I333-L337 HydrophobicContact CG2-CD1 3.79Å; I333-L337 HydrophobicContact CG2-CG 4.29Å; I333-L337 WeakPolarHBondContact O-CB 3.29Å; I333-L337 WeakPolarHBondContact O-CG 3.44Å; I333-L337 PolarHBondContact O-N 3.43Å; L337-R341 WeakPolarHBondContact O-CB 3.5Å; L337-R341 PolarHBondContact O-N 3.41Å; L337-R341 VanDerWaalsContact O-N 3.14Å
338R94.4Very high93.4Very high167 Ų167106.1 Ų106.163%0.6351%0.508SS*.Hα-helixtrans-65.6-50.2171.2-74.3-177.9-170.6-155.14.2111.4I334 A336 L340 R341 E342I334-R338 WeakPolarHBondContact O-CG 3.48Å; I334-R338 PolarHBondContact O-N 3.29Å; I334-R338 VanDerWaalsContact O-N 3.09Å; A336-R338 VanDerWaalsContact C-N 3.34Å; A336-R338 PolarHBondContact O-N 2.93Å; R338-L340 PolarHBondContact O-N 3Å; R338-R341 PolarHBondContact O-N 2.8Å; R338-R341 VanDerWaalsContact O-N 3.12Å; R338-E342 PolarHBondContact O-N 3.39Å
339R91.6Very high93.6Very high186 Ų186106.6 Ų106.670%0.70251%0.514SS*.Hα-helixtrans-57-46.1178.4-74.1172.9179.6-178.40.5112.2L335 A336 R341 E342 D343L335-R339 WeakPolarHBondContact O-CG 3.3Å; L335-R339 PolarHBondContact O-N 3.19Å; A336-R339 PolarHBondContact O-N 2.9Å; R339-R341 VanDerWaalsContact C-N 3.31Å; R339-R341 PolarHBondContact O-N 3.35Å; R339-E342 PolarHBondContact O-N 3Å; R339-D343 WeakPolarHBondContact O-CB 3.39Å; R339-D343 PolarHBondContact O-N 3.41Å
340L95.4Very high93.7Very high103 Ų103111.2 Ų111.254%0.53953%0.526SS..Hα-helixtrans-62.1-37.9177.3-176.564.3000112.3A336 R338 D343 M344A336-L340 WeakPolarHBondContact O-CB 3.42Å; A336-L340 PolarHBondContact O-N 3.32Å; R338-L340 PolarHBondContact O-N 3Å; L340-D343 PolarHBondContact O-N 2.89Å; L340-M344 WeakPolarHBondContact O-CB 3.28Å; L340-M344 PolarHBondContact O-N 3.29Å
341R93.3Very high93.7Very high171 Ų171111.4 Ų111.465%0.64553%0.529SS*.Hα-helixtrans-70.3-37.8176.2-178.4172.7-73.2177.1-3.5112.5L337 R338 R339 R345L337-R341 WeakPolarHBondContact O-CB 3.5Å; L337-R341 PolarHBondContact O-N 3.41Å; L337-R341 VanDerWaalsContact O-N 3.14Å; R338-R341 PolarHBondContact O-N 2.8Å; R338-R341 VanDerWaalsContact O-N 3.12Å; R339-R341 VanDerWaalsContact C-N 3.31Å; R339-R341 PolarHBondContact O-N 3.35Å; R341-R345 VanDerWaalsContact O-CD 3.29Å; R341-R345 WeakPolarHBondContact O-CD 3.5Å; R341-R345 VanDerWaalsContact O-CG 3.23Å; R341-R345 WeakPolarHBondContact O-CG 3.4Å; R341-R345 PolarHBondContact O-N 3.14Å
342E94.9Very high93.7Very high103 Ų103109.7 Ų109.748%0.48152%0.521SS..Hα-helixtrans-64.7-42.6171.3-108.762.7-87.700111.7R338 R339 R345 S346R338-E342 PolarHBondContact O-N 3.39Å; R339-E342 PolarHBondContact O-N 3Å; E342-R345 WeakPolarHBondContact O-CB 3.47Å; E342-R345 PolarHBondContact O-N 3.38Å; E342-R345 IonicContact OE1-CZ 3.73Å; E342-R345 IonicContact OE1-NH1 2.65Å; E342-R345 PolarHBondContact OE1-NH1 2.88Å; E342-S346 PolarHBondContact O-N 2.93Å
343D96.3Very high93.7Very high100 Ų100108.7 Ų108.754%0.53552%0.522SS..Hα-helixtrans-69.6-42-178.1-162.740.5000111.8R339 L340 R345 S346 V347R339-D343 WeakPolarHBondContact O-CB 3.39Å; R339-D343 PolarHBondContact O-N 3.41Å; L340-D343 PolarHBondContact O-N 2.89Å; D343-R345 VanDerWaalsContact C-N 3.29Å; D343-R345 PolarHBondContact O-N 3.45Å; D343-S346 WeakPolarHBondContact O-CB 3.39Å; D343-S346 PolarHBondContact O-N 2.85Å; D343-V347 WeakPolarHBondContact O-CG2 3.46Å; D343-V347 PolarHBondContact O-N 2.96Å
344M92.1Very high93.5Very high117 Ų117109.1 Ų109.158%0.57653%0.528SS*.Hα-helixtrans-61.8-34171.4-78-150.974.800113.2L340 V347 M348L340-M344 WeakPolarHBondContact O-CB 3.28Å; L340-M344 PolarHBondContact O-N 3.29Å; M344-V347 PolarHBondContact O-N 3.04Å; M344-M348 WeakPolarHBondContact O-CB 3.47Å; M344-M348 VanDerWaalsContact O-CG 3.29Å; M344-M348 WeakPolarHBondContact O-CG 3.43Å; M344-M348 PolarHBondContact O-N 3.49Å
345R93.8Very high93.2Very high134 Ų134111.1 Ų111.151%0.50654%0.535SS..Hα-helixtrans-63.7-49.8172.4-72.7160.5170.9171.5-10.2110.8R341 E342 D343 V347 M348 D349R341-R345 VanDerWaalsContact O-CD 3.29Å; R341-R345 WeakPolarHBondContact O-CD 3.5Å; R341-R345 VanDerWaalsContact O-CG 3.23Å; R341-R345 WeakPolarHBondContact O-CG 3.4Å; R341-R345 PolarHBondContact O-N 3.14Å; E342-R345 WeakPolarHBondContact O-CB 3.47Å; E342-R345 PolarHBondContact O-N 3.38Å; E342-R345 IonicContact OE1-CZ 3.73Å; E342-R345 IonicContact OE1-NH1 2.65Å; E342-R345 PolarHBondContact OE1-NH1 2.88Å; D343-R345 VanDerWaalsContact C-N 3.29Å; D343-R345 PolarHBondContact O-N 3.45Å; R345-V347 VanDerWaalsContact C-N 3.28Å; R345-V347 PolarHBondContact O-N 3.23Å; R345-M348 PolarHBondContact O-N 3.22Å; R345-M348 VanDerWaalsContact O-N 3.08Å; R345-D349 VanDerWaalsContact O-CG 3.26Å; R345-D349 PolarHBondContact O-N 3.35Å
346S93.6Very high92.7Very high56 Ų56113.7 Ų113.739%0.39254%0.539SS..Hα-helixtrans-54.5-41.3174.7176.60000112.8E342 D343 R350E342-S346 PolarHBondContact O-N 2.93Å; D343-S346 WeakPolarHBondContact O-CB 3.39Å; D343-S346 PolarHBondContact O-N 2.85Å; S346-R350 WeakPolarHBondContact O-CB 3.32Å; S346-R350 WeakPolarHBondContact O-CG 3.5Å; S346-R350 PolarHBondContact O-N 3.08Å; S346-R350 VanDerWaalsContact O-N 3.14Å
347V96.3Very high92Very high74 Ų74116.2 Ų116.245%0.44854%0.544SS..Hα-helixtrans-66.7-44.9175.1172.70000111.6D343 M344 R345 R350 L351D343-V347 WeakPolarHBondContact O-CG2 3.46Å; D343-V347 PolarHBondContact O-N 2.96Å; M344-V347 PolarHBondContact O-N 3.04Å; R345-V347 VanDerWaalsContact C-N 3.28Å; R345-V347 PolarHBondContact O-N 3.23Å; V347-R350 PolarHBondContact O-N 2.78Å; V347-L351 WeakPolarHBondContact O-CB 3.23Å; V347-L351 PolarHBondContact O-N 3.45Å
348M93.4Very high91.1Very high106 Ų106114 Ų11452%0.52254%0.541SS..Hα-helixtrans-64.8-44.8178.4-72.1-59.7-58.900112.5M344 R345 R350 L351 E352M344-M348 WeakPolarHBondContact O-CB 3.47Å; M344-M348 VanDerWaalsContact O-CG 3.29Å; M344-M348 WeakPolarHBondContact O-CG 3.43Å; M344-M348 PolarHBondContact O-N 3.49Å; R345-M348 PolarHBondContact O-N 3.22Å; R345-M348 VanDerWaalsContact O-N 3.08Å; M348-R350 VanDerWaalsContact C-N 3.29Å; M348-R350 PolarHBondContact O-N 3.13Å; M348-L351 WeakPolarHBondContact O-CB 3.19Å; M348-L351 PolarHBondContact O-N 3.07Å; M348-L351 VanDerWaalsContact O-N 3.1Å; M348-E352 PolarHBondContact O-N 3.05Å
349D94.1Very high90Very high101 Ų101109.7 Ų109.754%0.5454%0.541SS..Hα-helixtrans-60.8-40.7177.5-63.8-12.6000110.8R345 E352 V353R345-D349 VanDerWaalsContact O-CG 3.26Å; R345-D349 PolarHBondContact O-N 3.35Å; D349-E352 PolarHBondContact O-N 2.92Å; D349-V353 WeakPolarHBondContact O-CG2 3.42Å; D349-V353 PolarHBondContact O-N 2.89Å; D349-V353 VanDerWaalsContact O-N 3.08Å
350R92.7Very high88.7Confident180 Ų180106.3 Ų106.368%0.67954%0.541SS*.Hα-helixtrans-68.3-35.7174.3-72.9177.666.9-150.7-3.3112.5S346 V347 M348 V354S346-R350 WeakPolarHBondContact O-CB 3.32Å; S346-R350 WeakPolarHBondContact O-CG 3.5Å; S346-R350 PolarHBondContact O-N 3.08Å; S346-R350 VanDerWaalsContact O-N 3.14Å; V347-R350 PolarHBondContact O-N 2.78Å; M348-R350 VanDerWaalsContact C-N 3.29Å; M348-R350 PolarHBondContact O-N 3.13Å; R350-V354 WeakPolarHBondContact O-CG2 3.5Å; R350-V354 PolarHBondContact O-N 3.17Å; R350-V354 VanDerWaalsContact O-N 3.07Å
351L92.1Very high86.9Confident98 Ų98106.7 Ų106.751%0.51354%0.54SS..Hα-helixtrans-65.9-43.6174.9-155.687.7000110.6V347 M348 V353 V354 E355V347-L351 WeakPolarHBondContact O-CB 3.23Å; V347-L351 PolarHBondContact O-N 3.45Å; M348-L351 WeakPolarHBondContact O-CB 3.19Å; M348-L351 PolarHBondContact O-N 3.07Å; M348-L351 VanDerWaalsContact O-N 3.1Å; L351-V353 VanDerWaalsContact C-N 3.32Å; L351-V353 PolarHBondContact O-N 3.23Å; L351-V354 CarbonylContact O-C 3.56Å; L351-V354 PolarHBondContact O-N 3.18Å; L351-V354 VanDerWaalsContact O-N 3.13Å; L351-E355 WeakPolarHBondContact O-CB 3.42Å; L351-E355 PolarHBondContact O-N 3.01Å
352E92.3Very high85Confident83 Ų83101.6 Ų101.639%0.38854%0.541SS..Hα-helixtrans-63.2-36.7177.6-163.7-165-153.300111.7M348 D349 R356M348-E352 PolarHBondContact O-N 3.05Å; D349-E352 PolarHBondContact O-N 2.92Å; E352-R356 WeakPolarHBondContact O-CB 3.38Å; E352-R356 VanDerWaalsContact O-CG 3.31Å; E352-R356 WeakPolarHBondContact O-CG 3.37Å; E352-R356 PolarHBondContact O-N 2.89Å; E352-R356 IonicContact OE1-CZ 3.94Å; E352-R356 VanDerWaalsContact OE1-CZ 3.3Å; E352-R356 IonicContact OE1-NH1 2.74Å; E352-R356 PolarHBondContact OE1-NH1 3.43Å; E352-R356 IonicContact OE1-NH2 3.69Å; E352-R356 PolarHBondContact OE1-NH2 3.26Å; E352-R356 IonicContact OE2-CZ 2.73Å; E352-R356 IonicContact OE2-NH1 3.77Å; E352-R356 PolarHBondContact OE2-NH1 3.38Å; E352-R356 IonicContact OE2-NH2 2.75Å; E352-R356 PolarHBondContact OE2-NH2 2.98Å
353V90.9Very high82.8Confident80 Ų80100.9 Ų100.949%0.48555%0.547SS..Hα-helixtrans-65.9-42.3171.9169.90000111.6D349 L351 L357D349-V353 WeakPolarHBondContact O-CG2 3.42Å; D349-V353 PolarHBondContact O-N 2.89Å; D349-V353 VanDerWaalsContact O-N 3.08Å; L351-V353 VanDerWaalsContact C-N 3.32Å; L351-V353 PolarHBondContact O-N 3.23Å; V353-L357 HydrophobicContact CG1-CD1 4.08Å; V353-L357 WeakPolarHBondContact O-CB 3.23Å; V353-L357 VanDerWaalsContact O-CG 3.29Å; V353-L357 WeakPolarHBondContact O-CG 3.43Å; V353-L357 PolarHBondContact O-N 3.07Å
354V90.5Very high80.2Confident93 Ų93101.9 Ų101.956%0.56455%0.553SS**Hα-helixtrans-66.7-39.3175.6169.80000111.5R350 L351 L357 A358R350-V354 WeakPolarHBondContact O-CG2 3.5Å; R350-V354 PolarHBondContact O-N 3.17Å; R350-V354 VanDerWaalsContact O-N 3.07Å; L351-V354 CarbonylContact O-C 3.56Å; L351-V354 PolarHBondContact O-N 3.18Å; L351-V354 VanDerWaalsContact O-N 3.13Å; V354-L357 PolarHBondContact O-N 3.17Å; V354-A358 WeakPolarHBondContact O-CB 3.38Å; V354-A358 PolarHBondContact O-N 3.13Å
355E88.4Confident77.9Confident130 Ų130107.1 Ų107.161%0.60757%0.566SS**Hα-helixtrans-65.6-43.7176.5-175.9175.3-164.100111.4L351 L357 A358 A359L351-E355 WeakPolarHBondContact O-CB 3.42Å; L351-E355 PolarHBondContact O-N 3.01Å; E355-L357 PolarHBondContact O-N 3.14Å; E355-A358 PolarHBondContact O-N 3.46Å; E355-A359 VanDerWaalsContact O-CB 3.3Å; E355-A359 WeakPolarHBondContact O-CB 3.34Å; E355-A359 PolarHBondContact O-N 2.89Å
356R83.6Confident75.2Confident142 Ų142111.3 Ų111.354%0.53658%0.582SS.*Hα-helixtrans-60.7-43.5172.4-77.3178.9176.8122.912.8112.1E352 A359 T360E352-R356 WeakPolarHBondContact O-CB 3.38Å; E352-R356 VanDerWaalsContact O-CG 3.31Å; E352-R356 WeakPolarHBondContact O-CG 3.37Å; E352-R356 PolarHBondContact O-N 2.89Å; E352-R356 IonicContact OE1-CZ 3.94Å; E352-R356 VanDerWaalsContact OE1-CZ 3.3Å; E352-R356 IonicContact OE1-NH1 2.74Å; E352-R356 PolarHBondContact OE1-NH1 3.43Å; E352-R356 IonicContact OE1-NH2 3.69Å; E352-R356 PolarHBondContact OE1-NH2 3.26Å; E352-R356 IonicContact OE2-CZ 2.73Å; E352-R356 IonicContact OE2-NH1 3.77Å; E352-R356 PolarHBondContact OE2-NH1 3.38Å; E352-R356 IonicContact OE2-NH2 2.75Å; E352-R356 PolarHBondContact OE2-NH2 2.98Å; R356-A359 PolarHBondContact O-N 2.88Å; R356-T360 WeakPolarHBondContact O-CG2 3.42Å; R356-T360 PolarHBondContact O-N 3.27Å; R356-T360 PolarHBondContact O-OG1 3.02Å; R356-T360 VanDerWaalsContact O-OG1 3.11Å
357L78.7Confident72.6Confident109 Ų109114.6 Ų114.657%0.57160%0.602SS**Hα-helixtrans-62.4-44.8175.5-75.1165.8000111.6V353 V354 E355 T360 H361V353-L357 HydrophobicContact CG1-CD1 4.08Å; V353-L357 WeakPolarHBondContact O-CB 3.23Å; V353-L357 VanDerWaalsContact O-CG 3.29Å; V353-L357 WeakPolarHBondContact O-CG 3.43Å; V353-L357 PolarHBondContact O-N 3.07Å; V354-L357 PolarHBondContact O-N 3.17Å; E355-L357 PolarHBondContact O-N 3.14Å; L357-T360 WeakPolarHBondContact CA-OG1 3.29Å; L357-T360 PolarHBondContact O-N 3.43Å; L357-T360 PolarHBondContact O-OG1 3.14Å; L357-H361 WeakPolarHBondContact O-CB 3.45Å; L357-H361 PolarHBondContact O-N 3.26Å
358A75Confident69.5Low60 Ų60116.3 Ų116.350%0.49662%0.616SS.*Hα-helixtrans-63.8-40.9176.400000112.4V354 E355 H361 G362V354-A358 WeakPolarHBondContact O-CB 3.38Å; V354-A358 PolarHBondContact O-N 3.13Å; E355-A358 PolarHBondContact O-N 3.46Å; A358-H361 CarbonylContact O-C 3.31Å; A358-H361 VanDerWaalsContact O-C 3.31Å; A358-H361 PolarHBondContact O-N 3.21Å; A358-H361 VanDerWaalsContact O-N 3.15Å; A358-G362 PolarHBondContact O-N 3.35Å
359A71.1Confident67Low78 Ų78119.4 Ų119.465%0.64563%0.634SS**Hα-helixtrans-64.3-38.6175.200000112.1E355 R356 H361 G362E355-A359 VanDerWaalsContact O-CB 3.3Å; E355-A359 WeakPolarHBondContact O-CB 3.34Å; E355-A359 PolarHBondContact O-N 2.89Å; R356-A359 PolarHBondContact O-N 2.88Å; A359-H361 VanDerWaalsContact C-N 3.31Å; A359-G362 PolarHBondContact O-N 3.47Å
360T65.1Low64.2Low114 Ų114122.7 Ų122.770%0.69965%0.646SS**Hα-helixtrans-72-22172.853.10000113.8R356 L357R356-T360 WeakPolarHBondContact O-CG2 3.42Å; R356-T360 PolarHBondContact O-N 3.27Å; R356-T360 PolarHBondContact O-OG1 3.02Å; R356-T360 VanDerWaalsContact O-OG1 3.11Å; L357-T360 WeakPolarHBondContact CA-OG1 3.29Å; L357-T360 PolarHBondContact O-N 3.43Å; L357-T360 PolarHBondContact O-OG1 3.14Å
361H57.1Low61.2Low111 Ų111120.3 Ų120.351%0.51466%0.656SS.*THydrogen-bonded Turntrans-101.619.4176.5-156.9-62.2000112.2L357 A358 A359 S363L357-H361 WeakPolarHBondContact O-CB 3.45Å; L357-H361 PolarHBondContact O-N 3.26Å; A358-H361 CarbonylContact O-C 3.31Å; A358-H361 VanDerWaalsContact O-C 3.31Å; A358-H361 PolarHBondContact O-N 3.21Å; A358-H361 VanDerWaalsContact O-N 3.15Å; A359-H361 VanDerWaalsContact C-N 3.31Å; H361-S363 VanDerWaalsContact C-N 3.33Å; H361-S363 PolarHBondContact O-N 2.95Å
362G53.4Low58.4Low64 Ų64119.8 Ų119.866%0.6667%0.665SS**  trans-78.9-0.7-170.400000116.6A358 A359A358-G362 PolarHBondContact O-N 3.35Å; A359-G362 PolarHBondContact O-N 3.47Å
363S47.8Very low55.5Low88 Ų88123.9 Ų123.962%0.61569%0.69SS**SBendtrans-103.3-27.1-170.851.70000116.1H361H361-S363 VanDerWaalsContact C-N 3.33Å; H361-S363 PolarHBondContact O-N 2.95Å
364D43Very low52.8Low122 Ų122124.6 Ų124.665%0.65270%0.704SS**  trans-99.2-3.1-155.5-72.615.9000114.8R366D364-R366 PolarHBondContact O-N 2.87Å
365W42.6Very low49.9Very low227 Ų227124.9 Ų124.986%0.8672%0.716SS**  trans-81.360174.8-69.4108.7000113
366R36.6Very low47.4Very low221 Ų221124 Ų12483%0.83472%0.724SS**  trans-89.8126.1161.7-83.2-173.2172.1-120.20.5110.2D364 C368D364-R366 PolarHBondContact O-N 2.87Å; R366-C368 PolarHBondContact O-N 3.24Å; R366-C368 VanDerWaalsContact O-N 3.11Å
367P40.8Very low44.9Very low125 Ų125125.5 Ų125.581%0.81274%0.737SS**  trans-59.6115.8166-2233.6000109.9L369P367-L369 PolarHBondContact O-N 2.71Å; P367-L369 VanDerWaalsContact O-N 3.17Å
368C31.3Very low42.6Very low110 Ų110127.2 Ų127.274%0.74374%0.742SS**  trans-75.6106.5-179.4-165.90000109.8R366 Q370R366-C368 PolarHBondContact O-N 3.24Å; R366-C368 VanDerWaalsContact O-N 3.11Å; C368-Q370 PolarHBondContact O-N 2.91Å
369L39Very low40.6Very low171 Ų171131.8 Ų131.890%0.89575%0.753SS**SBendtrans-81.947.8-175.4-145.6167.1000111.5P367P367-L369 PolarHBondContact O-N 2.71Å; P367-L369 VanDerWaalsContact O-N 3.17Å
370Q36.5Very low39.2Very low171 Ų171137 Ų13780%0.79976%0.764SS**  trans-159.562.8-178.1-115.81598.100112.9C368C368-Q370 PolarHBondContact O-N 2.91Å
371C29.6Very low38Very low130 Ų130138 Ų13888%0.87877%0.771SS**  trans-138.250.8161-84.40000110.2
372A32.4Very low37.4Very low86 Ų86144 Ų14471%0.71179%0.789SS**  trans-84.1158.5151.700000108.3
373D32.3Very low36.7Very low170 Ų170151 Ų15191%0.90980%0.796SS**SBendtrans77.642.7178.5-53.7-27000117.9
374A33.4Very low36.8Very low94 Ų94152 Ų15278%0.77780%0.8SS**SBendtrans-154.5154.6148.400000112.3
375A30.4Very low36.8Very low100 Ų100153.2 Ų153.283%0.82680%0.8SS**  trans57.192.5168.400000117.9
376S34.8Very low37.4Very low110 Ų110150.7 Ų150.777%0.76980%0.803SS**  trans-73.1164148.352.40000110.9
377Q31.5Very low38.7Very low174 Ų174144.3 Ų144.381%0.81379%0.788SS**  trans77141.7-174.4-57.7177.4-2500113.9
378Q30.4Very low40.2Very low146 Ų146141.7 Ų141.768%0.68277%0.773SS**  cis-164.9153.1-7.2158.8175.2-27.300111
379E34.4Very low41.9Very low155 Ų155140.9 Ų140.972%0.72477%0.767SS**  trans64.2121.7163.5-80.8168.5140.100122.8T381E379-T381 PolarHBondContact O-N 3.42Å
380E40.8Very low43.4Very low188 Ų188139.7 Ų139.788%0.87976%0.757SS**  trans-50.598.1163.3-59.4-86.6141.600114W382E380-W382 PolarHBondContact O-N 3.16Å
381T39.5Very low45.6Very low136 Ų136134.1 Ų134.183%0.83474%0.735SS**  trans-80.180.6172.246.70000112.6E379 W383E379-T381 PolarHBondContact O-N 3.42Å; T381-W383 PolarHBondContact O-N 3.12Å
382W45.8Very low48.1Very low236 Ų236131.4 Ų131.489%0.89471%0.714SS**  trans-79.651.2178.8-164.659.8000114E380E380-W382 PolarHBondContact O-N 3.16Å
383W36.8Very low50.6Low212 Ų212132.7 Ų132.780%0.80371%0.709SS**  trans-143.4140.6170.4-86.988.2000111.6T381 F385T381-W383 PolarHBondContact O-N 3.12Å; W383-F385 PolarHBondContact O-N 3.31Å
384P51Low53Low108 Ų108130.4 Ų130.470%0.70170%0.696SS**SBendtrans-93.313.3-169.138-38.9000115.4
385F43Very low55.5Low148 Ų148133.6 Ų133.665%0.64969%0.692SS**  trans-119.4110.5-175.7-67.1-65.7000112W383 V387W383-F385 PolarHBondContact O-N 3.31Å; F385-V387 HydrophobicContact CB-CG2 4.26Å; F385-V387 PolarHBondContact O-N 3.33Å
386D54.1Low58.1Low174 Ų174135.2 Ų135.293%0.9368%0.684SS**  trans-78.763.1175.1-160.9-3.7000111
387V64.3Low60.8Low87 Ų87134.7 Ų134.753%0.52767%0.672SS.*  trans-91.8104.3178.4-80.70000110.3F385 C389 V392F385-V387 HydrophobicContact CB-CG2 4.26Å; F385-V387 PolarHBondContact O-N 3.33Å; V387-C389 PolarHBondContact O-N 3.15Å; V387-V392 HydrophobicContact CG2-CG2 4.37Å
388S72.4Confident63.5Low70 Ų70134.4 Ų134.449%0.4966%0.664SS.*  trans-41.7128.3172.9171.40000111.5Q390 T391S388-Q390 PolarHBondContact O-N 3.14Å; S388-T391 WeakPolarHBondContact O-CB 3.32Å; S388-T391 PolarHBondContact O-N 3.35Å; S388-T391 PolarHBondContact O-OG1 3.27Å
389C67.6Low66.3Low92 Ų92130.3 Ų130.362%0.62265%0.65SS**Hα-helixtrans-53.3-27.8-171.7-169.50000113.6V387 T391 V392 L393V387-C389 PolarHBondContact O-N 3.15Å; C389-T391 VanDerWaalsContact C-N 3.27Å; C389-T391 PolarHBondContact O-N 2.68Å; C389-V392 PolarHBondContact O-N 2.9Å; C389-L393 WeakPolarHBondContact O-CG 3.48Å; C389-L393 PolarHBondContact O-N 2.95Å; C389-L393 VanDerWaalsContact O-N 3.1Å
390Q70.6Confident68.8Low147 Ų147129.5 Ų129.569%0.68764%0.644SS**Hα-helixtrans-58.7-34.2173.6-66.2179.5-13.300113.2S388 L394S388-Q390 PolarHBondContact O-N 3.14Å; Q390-L394 WeakPolarHBondContact O-CG 3.32Å; Q390-L394 PolarHBondContact O-N 3.06Å; Q390-L394 VanDerWaalsContact O-N 3.07Å
391T82Confident71.1Confident54 Ų54124.4 Ų124.433%0.33163%0.626SS.*Hα-helixtrans-71.4-40.3178.666.10000111.7S388 C389 L393 L394 F395S388-T391 WeakPolarHBondContact O-CB 3.32Å; S388-T391 PolarHBondContact O-N 3.35Å; S388-T391 PolarHBondContact O-OG1 3.27Å; C389-T391 VanDerWaalsContact C-N 3.27Å; C389-T391 PolarHBondContact O-N 2.68Å; T391-L393 VanDerWaalsContact C-N 3.33Å; T391-L393 PolarHBondContact O-N 2.97Å; T391-L394 WeakPolarHBondContact O-CB 3.35Å; T391-L394 PolarHBondContact O-N 2.65Å; T391-L394 VanDerWaalsContact O-N 3.17Å; T391-F395 VanDerWaalsContact O-CD2 3.27Å; T391-F395 WeakPolarHBondContact O-CD2 3.3Å; T391-F395 PolarHBondContact O-N 3.42Å
392V83.8Confident73.5Confident72 Ų72120.3 Ų120.344%0.43660%0.601SS.*Hα-helixtrans-61.8-42.1174.5-1770000110.7V387 C389 L394 F395 M396V387-V392 HydrophobicContact CG2-CG2 4.37Å; C389-V392 PolarHBondContact O-N 2.9Å; V392-L394 PolarHBondContact O-N 3.28Å; V392-F395 PolarHBondContact O-N 2.92Å; V392-M396 WeakPolarHBondContact O-CG 3.34Å; V392-M396 PolarHBondContact O-N 3.4Å
393L84Confident75.3Confident114 Ų114115.5 Ų115.560%0.59759%0.588SS**Hα-helixtrans-62.1-39.6173.9-69.4172.8000112.4C389 T391 M396 L397C389-L393 WeakPolarHBondContact O-CG 3.48Å; C389-L393 PolarHBondContact O-N 2.95Å; C389-L393 VanDerWaalsContact O-N 3.1Å; T391-L393 VanDerWaalsContact C-N 3.33Å; T391-L393 PolarHBondContact O-N 2.97Å; L393-M396 PolarHBondContact O-N 3.19Å; L393-L397 WeakPolarHBondContact O-CB 3.45Å; L393-L397 PolarHBondContact O-N 3.35Å
394L83Confident77.7Confident121 Ų121107 Ų10763%0.63457%0.566SS**Hα-helixtrans-64.1-42.9174.7-72.8169.3000112.1Q390 T391 V392 L397 W398Q390-L394 WeakPolarHBondContact O-CG 3.32Å; Q390-L394 PolarHBondContact O-N 3.06Å; Q390-L394 VanDerWaalsContact O-N 3.07Å; T391-L394 WeakPolarHBondContact O-CB 3.35Å; T391-L394 PolarHBondContact O-N 2.65Å; T391-L394 VanDerWaalsContact O-N 3.17Å; V392-L394 PolarHBondContact O-N 3.28Å; L394-L397 PolarHBondContact O-N 2.91Å; L394-W398 WeakPolarHBondContact O-CB 3.31Å; L394-W398 PolarHBondContact O-N 3.12Å
395F84.9Confident79.6Confident161 Ų161106.7 Ų106.771%0.70656%0.558SS**Hα-helixtrans-63.8-38.9174.9-81.8-68.8000112.7T391 V392 L397 P399T391-F395 VanDerWaalsContact O-CD2 3.27Å; T391-F395 WeakPolarHBondContact O-CD2 3.3Å; T391-F395 PolarHBondContact O-N 3.42Å; V392-F395 PolarHBondContact O-N 2.92Å; F395-L397 VanDerWaalsContact C-N 3.34Å; F395-P399 VanDerWaalsContact O-CD 3.26Å; F395-P399 WeakPolarHBondContact O-CD 3.36Å
396M85.4Confident81.8Confident134 Ų134103 Ų10366%0.6655%0.547SS*.Hα-helixtrans-68.5-30.3175.2-72.1-69.5-76.400113V392 L393 P399V392-M396 WeakPolarHBondContact O-CG 3.34Å; V392-M396 PolarHBondContact O-N 3.4Å; L393-M396 PolarHBondContact O-N 3.19Å; M396-P399 WeakPolarHBondContact O-CD 3.36Å; M396-P399 WeakPolarHBondContact O-CG 3.45Å
397L90.8Very high83.5Confident99 Ų99101.1 Ų101.152%0.51853%0.528SS..Hα-helixtrans-85-28.3179-158.873.2000113.3L393 L394 F395 P399 F400 V401L393-L397 WeakPolarHBondContact O-CB 3.45Å; L393-L397 PolarHBondContact O-N 3.35Å; L394-L397 PolarHBondContact O-N 2.91Å; F395-L397 VanDerWaalsContact C-N 3.34Å; L397-P399 VanDerWaalsContact C-CD 3.49Å; L397-F400 WeakPolarHBondContact O-CB 3.45Å; L397-F400 PolarHBondContact O-N 3.4Å; L397-V401 HydrophobicContact CG-CG2 4.32Å; L397-V401 PolarHBondContact O-N 2.89Å; L397-V401 VanDerWaalsContact O-N 3.1Å
398W89.4Confident84.7Confident168 Ų168102.1 Ų102.164%0.63653%0.53SS*.Hα-helixtrans-47.8-44.4178.7-170.4-106.3000116L394 F400 V401 T402L394-W398 WeakPolarHBondContact O-CB 3.31Å; L394-W398 PolarHBondContact O-N 3.12Å; W398-F400 VanDerWaalsContact C-N 3.28Å; W398-F400 PolarHBondContact O-N 3.24Å; W398-V401 PolarHBondContact O-N 2.87Å; W398-T402 HydrophobicContact CD2-CG2 4.23Å; W398-T402 HydrophobicContact CG-CG2 4.47Å; W398-T402 HydrophobicContact CZ2-CG2 4.1Å; W398-T402 WeakPolarHBondContact O-CG2 3.4Å; W398-T402 PolarHBondContact O-N 3.23Å; W398-T402 PolarHBondContact O-OG1 3.09Å
399P88.4Confident85.3Confident60 Ų60103.9 Ų103.939%0.3953%0.533SS..Hα-helixtrans-60.8-33.9175.322.2-34000113.3F395 M396 L397 T402 Q403F395-P399 VanDerWaalsContact O-CD 3.26Å; F395-P399 WeakPolarHBondContact O-CD 3.36Å; M396-P399 WeakPolarHBondContact O-CD 3.36Å; M396-P399 WeakPolarHBondContact O-CG 3.45Å; L397-P399 VanDerWaalsContact C-CD 3.49Å; P399-T402 WeakPolarHBondContact CA-OG1 3.48Å; P399-T402 PolarHBondContact O-OG1 3.14Å; P399-T402 VanDerWaalsContact O-OG1 3.11Å; P399-Q403 WeakPolarHBondContact O-CB 3.32Å; P399-Q403 VanDerWaalsContact O-CG 3.32Å; P399-Q403 WeakPolarHBondContact O-CG 3.31Å; P399-Q403 PolarHBondContact O-N 2.88Å
400F88.1Confident86.1Confident139 Ų139108 Ų10861%0.6154%0.536SS*.Hα-helixtrans-75.2-39.4177.6-61.3-82.1000111.9L397 W398 G404L397-F400 WeakPolarHBondContact O-CB 3.45Å; L397-F400 PolarHBondContact O-N 3.4Å; W398-F400 VanDerWaalsContact C-N 3.28Å; W398-F400 PolarHBondContact O-N 3.24Å; F400-G404 PolarHBondContact O-N 3.42Å
401V88.1Confident86.7Confident80 Ų80104.7 Ų104.749%0.48552%0.519SS..Hα-helixtrans-62.2-44.9174.6177.60000110.8L397 W398 G404 L405L397-V401 HydrophobicContact CG-CG2 4.32Å; L397-V401 PolarHBondContact O-N 2.89Å; L397-V401 VanDerWaalsContact O-N 3.1Å; W398-V401 PolarHBondContact O-N 2.87Å; V401-G404 PolarHBondContact O-N 3.05Å; V401-L405 WeakPolarHBondContact O-CB 3.38Å; V401-L405 PolarHBondContact O-N 2.88Å
402T89.1Confident86.6Confident51 Ų51104.8 Ų104.831%0.31353%0.525SS..Hα-helixtrans-70-40.917951.40000112.6W398 P399 G404 L405 V406W398-T402 HydrophobicContact CD2-CG2 4.23Å; W398-T402 HydrophobicContact CG-CG2 4.47Å; W398-T402 HydrophobicContact CZ2-CG2 4.1Å; W398-T402 WeakPolarHBondContact O-CG2 3.4Å; W398-T402 PolarHBondContact O-N 3.23Å; W398-T402 PolarHBondContact O-OG1 3.09Å; P399-T402 WeakPolarHBondContact CA-OG1 3.48Å; P399-T402 PolarHBondContact O-OG1 3.14Å; P399-T402 VanDerWaalsContact O-OG1 3.11Å; T402-G404 PolarHBondContact O-N 3.4Å; T402-L405 PolarHBondContact O-N 3.17Å; T402-V406 WeakPolarHBondContact O-CG2 3.33Å; T402-V406 PolarHBondContact O-N 3.07Å
403Q83.9Confident86.3Confident135 Ų135106.3 Ų106.363%0.63153%0.527SS*.Hα-helixtrans-61.2-42170.6-79.1-174.1-9.700112.3P399 V406 Y407P399-Q403 WeakPolarHBondContact O-CB 3.32Å; P399-Q403 VanDerWaalsContact O-CG 3.32Å; P399-Q403 WeakPolarHBondContact O-CG 3.31Å; P399-Q403 PolarHBondContact O-N 2.88Å; Q403-V406 PolarHBondContact O-N 2.95Å; Q403-Y407 WeakPolarHBondContact O-CB 3.31Å; Q403-Y407 PolarHBondContact O-N 3.25Å
404G88.9Confident85.8Confident32 Ų32107.1 Ų107.133%0.3353%0.528SS..Hα-helixtrans-60.3-45.3175.800000112.4F400 V401 T402 Y407 L408F400-G404 PolarHBondContact O-N 3.42Å; V401-G404 PolarHBondContact O-N 3.05Å; T402-G404 PolarHBondContact O-N 3.4Å; G404-Y407 PolarHBondContact O-N 3.36Å; G404-L408 WeakPolarHBondContact O-CG 3.49Å; G404-L408 PolarHBondContact O-N 3.49Å
405L89Confident85.3Confident103 Ų103109.8 Ų109.854%0.53953%0.53SS..Hα-helixtrans-62.6-44.8175.7-175.263000111.9V401 T402 Y407 L408 L409V401-L405 WeakPolarHBondContact O-CB 3.38Å; V401-L405 PolarHBondContact O-N 2.88Å; T402-L405 PolarHBondContact O-N 3.17Å; L405-Y407 VanDerWaalsContact C-N 3.35Å; L405-Y407 PolarHBondContact O-N 2.89Å; L405-L408 PolarHBondContact O-N 3.27Å; L405-L409 HydrophobicContact CG-CD1 4.2Å; L405-L409 WeakPolarHBondContact O-CB 3.26Å; L405-L409 VanDerWaalsContact O-CG 3.32Å; L405-L409 WeakPolarHBondContact O-CG 3.35Å; L405-L409 PolarHBondContact O-N 3.06Å
406V90.2Very high84.5Confident69 Ų69105.6 Ų105.642%0.41852%0.52SS..Hα-helixtrans-63.9-38.4176.3170.90000111.7T402 Q403 R410T402-V406 WeakPolarHBondContact O-CG2 3.33Å; T402-V406 PolarHBondContact O-N 3.07Å; Q403-V406 PolarHBondContact O-N 2.95Å; V406-R410 WeakPolarHBondContact O-CB 3.41Å; V406-R410 VanDerWaalsContact O-CG 3.29Å; V406-R410 WeakPolarHBondContact O-CG 3.42Å; V406-R410 PolarHBondContact O-N 3.02Å
407Y90.1Very high83.5Confident136 Ų136108 Ų10853%0.53352%0.522SS..Hα-helixtrans-64.1-44.9173.6173.8-94.7000111.7Q403 G404 L405 R410 K411Q403-Y407 WeakPolarHBondContact O-CB 3.31Å; Q403-Y407 PolarHBondContact O-N 3.25Å; G404-Y407 PolarHBondContact O-N 3.36Å; L405-Y407 VanDerWaalsContact C-N 3.35Å; L405-Y407 PolarHBondContact O-N 2.89Å; Y407-R410 PolarHBondContact O-N 2.93Å; Y407-K411 HydrophobicContact CE1-CD 3.76Å; Y407-K411 VanDerWaalsContact O-CB 3.3Å; Y407-K411 WeakPolarHBondContact O-CB 3.29Å; Y407-K411 PolarHBondContact O-N 3.25Å; Y407-K411 PolarHBondContact OH-NZ 3.24Å
408L88.1Confident82.1Confident107 Ų107108.8 Ų108.856%0.5653%0.531SS*.Hα-helixtrans-63.2-42.1176.8-72.6173.5000112.2G404 L405 K411 A412G404-L408 WeakPolarHBondContact O-CG 3.49Å; G404-L408 PolarHBondContact O-N 3.49Å; L405-L408 PolarHBondContact O-N 3.27Å; L408-K411 PolarHBondContact O-N 3.38Å; L408-A412 WeakPolarHBondContact O-CB 3.47Å; L408-A412 PolarHBondContact O-N 2.84Å
409L85.3Confident80.6Confident108 Ų108105.9 Ų105.957%0.56554%0.537SS*.Hα-helixtrans-62.6-43.5174.9-72169.6000111.8L405 K411 A412 H413L405-L409 HydrophobicContact CG-CD1 4.2Å; L405-L409 WeakPolarHBondContact O-CB 3.26Å; L405-L409 VanDerWaalsContact O-CG 3.32Å; L405-L409 WeakPolarHBondContact O-CG 3.35Å; L405-L409 PolarHBondContact O-N 3.06Å; L409-K411 PolarHBondContact O-N 3.39Å; L409-A412 PolarHBondContact O-N 3.05Å; L409-H413 WeakPolarHBondContact O-CB 3.41Å; L409-H413 PolarHBondContact O-N 3.25Å
410R84.6Confident78.7Confident177 Ų177110.9 Ų110.967%0.66857%0.573SS**Hα-helixtrans-62-42.1173.9-73.4174.4-178.5-168.51.7112V406 Y407 H413 Q414V406-R410 WeakPolarHBondContact O-CB 3.41Å; V406-R410 VanDerWaalsContact O-CG 3.29Å; V406-R410 WeakPolarHBondContact O-CG 3.42Å; V406-R410 PolarHBondContact O-N 3.02Å; Y407-R410 PolarHBondContact O-N 2.93Å; R410-H413 PolarHBondContact O-N 2.85Å; R410-Q414 WeakPolarHBondContact O-CG 3.49Å; R410-Q414 PolarHBondContact O-N 3.07Å
411K84.2Confident78.3Confident78 Ų78109.5 Ų109.534%0.33957%0.571SS.*Hα-helixtrans-68-36.2178.5-170170-171.1164.60112.7Y407 L408 L409 R415Y407-K411 HydrophobicContact CE1-CD 3.76Å; Y407-K411 VanDerWaalsContact O-CB 3.3Å; Y407-K411 WeakPolarHBondContact O-CB 3.29Å; Y407-K411 PolarHBondContact O-N 3.25Å; Y407-K411 PolarHBondContact OH-NZ 3.24Å; L408-K411 PolarHBondContact O-N 3.38Å; L409-K411 PolarHBondContact O-N 3.39Å; K411-R415 WeakPolarHBondContact O-CG 3.23Å; K411-R415 PolarHBondContact O-N 3.28Å
412A80.1Confident77.7Confident56 Ų56111.1 Ų111.146%0.46358%0.576SS.*Hα-helixtrans-66.4-45.9171.100000111.2L408 L409 Q414 R415 S416L408-A412 WeakPolarHBondContact O-CB 3.47Å; L408-A412 PolarHBondContact O-N 2.84Å; L409-A412 PolarHBondContact O-N 3.05Å; A412-Q414 VanDerWaalsContact C-N 3.31Å; A412-Q414 PolarHBondContact O-N 3.16Å; A412-R415 WeakPolarHBondContact O-CB 3.37Å; A412-R415 PolarHBondContact O-N 2.79Å; A412-R415 VanDerWaalsContact O-N 3.1Å; A412-S416 PolarHBondContact O-N 3.4Å; A412-S416 PolarHBondContact O-OG 3.01Å
413H76.8Confident77.1Confident104 Ų104114.4 Ų114.448%0.48159%0.591SS.*Hα-helixtrans-64-34.1178.8-167.763.2000113.1L409 R410 S416 R417L409-H413 WeakPolarHBondContact O-CB 3.41Å; L409-H413 PolarHBondContact O-N 3.25Å; R410-H413 PolarHBondContact O-N 2.85Å; H413-S416 VanDerWaalsContact CA-OG 3.32Å; H413-S416 WeakPolarHBondContact CA-OG 3.28Å; H413-S416 PolarHBondContact O-OG 2.72Å; H413-R417 PolarHBondContact O-N 3.28Å
414Q74.1Confident76.7Confident132 Ų132113.2 Ų113.262%0.61759%0.588SS**Hα-helixtrans-63.6-46.5169.9-77174.5-23.600111.8R410 A412 S416 R417 T418R410-Q414 WeakPolarHBondContact O-CG 3.49Å; R410-Q414 PolarHBondContact O-N 3.07Å; A412-Q414 VanDerWaalsContact C-N 3.31Å; A412-Q414 PolarHBondContact O-N 3.16Å; Q414-S416 VanDerWaalsContact C-N 3.33Å; Q414-S416 PolarHBondContact O-N 2.72Å; Q414-R417 PolarHBondContact O-N 3.35Å; Q414-T418 PolarHBondContact O-N 3.5Å
415R71.1Confident75.9Confident177 Ų177118.3 Ų118.367%0.66860%0.604SS**Hα-helixtrans-61.2-37.4177.2-74.8172.2168.2-175.6-6.8113K411 A412 R417 T418K411-R415 WeakPolarHBondContact O-CG 3.23Å; K411-R415 PolarHBondContact O-N 3.28Å; A412-R415 WeakPolarHBondContact O-CB 3.37Å; A412-R415 PolarHBondContact O-N 2.79Å; A412-R415 VanDerWaalsContact O-N 3.1Å; R415-R417 PolarHBondContact O-N 3.32Å; R415-T418 PolarHBondContact O-N 2.97Å; R415-T418 PolarHBondContact O-OG1 3.28Å
416S69.6Low75.1Confident72 Ų72119.3 Ų119.350%0.50361%0.609SS.*Hα-helixtrans-67.8-15.7173.850.50000114.3A412 H413 Q414A412-S416 PolarHBondContact O-N 3.4Å; A412-S416 PolarHBondContact O-OG 3.01Å; H413-S416 VanDerWaalsContact CA-OG 3.32Å; H413-S416 WeakPolarHBondContact CA-OG 3.28Å; H413-S416 PolarHBondContact O-OG 2.72Å; Q414-S416 VanDerWaalsContact C-N 3.33Å; Q414-S416 PolarHBondContact O-N 2.72Å
417R63.5Low74Confident184 Ų184122.9 Ų122.969%0.69462%0.622SS**THydrogen-bonded Turntrans-95.6-3.5176.8-78.4-178.2168.2-174.3-2.7114.2H413 Q414 R415H413-R417 PolarHBondContact O-N 3.28Å; Q414-R417 PolarHBondContact O-N 3.35Å; R415-R417 PolarHBondContact O-N 3.32Å
418T60.6Low72.8Confident116 Ų116121.8 Ų121.871%0.71263%0.629SS**SBendtrans-11321.1177.460.70000112.4Q414 R415Q414-T418 PolarHBondContact O-N 3.5Å; R415-T418 PolarHBondContact O-N 2.97Å; R415-T418 PolarHBondContact O-OG1 3.28Å
419S58.5Low71.5Confident107 Ų107123.1 Ų123.175%0.74864%0.635SS**  trans-133.521.6-178.2-171.70000112
420S49.5Very low70.2Confident166 Ų166124.5 Ų124.5100%1.16164%0.641SS**  trans-149.50175.3179.60000108.9

Retrieved 420 of 420 residues in 736.6 ms (Link to these results)

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