A0A087YP69_POEFO Loading...

Spermatid perinuclear RNA-binding protein

AlphaFold DB , UniProt , Accession A0A087YP69, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 747 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
1M37.6Very low63.5Low249 Ų24997 Ų97100%1.22747%0.472SS*.  01190-70.8171.617300109.6
2R42.5Very low66.2Low93 Ų9396.3 Ų96.335%0.35146%0.46SS..  trans-74.9154.1170.5-87.1174.8158-148.1-12110.2M385 A386 F387R2-M385 PolarHBondContact NH1-O 3.24Å; R2-M385 PolarHBondContact NH2-O 2.89Å; R2-A386 PolarHBondContact NE-O 2.9Å; R2-A386 PolarHBondContact NH2-O 3.41Å; R2-F387 VanDerWaalsContact NH2-C 3.29Å
3S42.6Very low68.6Low78 Ų7889.2 Ų89.255%0.54543%0.426SS..  trans-71.2139.4170.5-176.50000109.6R5 S6S3-R5 PolarHBondContact O-N 3.46Å; S3-S6 PolarHBondContact O-N 3.35Å; S3-S6 PolarHBondContact O-OG 3.38Å; S3-S6 VanDerWaalsContact O-OG 3.13Å
4F50.3Low70.7Confident186 Ų18682.8 Ų82.882%0.81640%0.396SS*.THydrogen-bonded Turntrans-45.2-26.6174-73-83.8000114.3S6 F7F4-S6 VanDerWaalsContact C-N 3.29Å; F4-S6 PolarHBondContact O-N 3.39Å; F4-F7 PolarHBondContact O-N 3.19Å
5R51.4Low72.5Confident211 Ų21182.3 Ų82.380%0.79639%0.394SS*.THydrogen-bonded Turntrans-65.8-17.7177.2-62-178.3178.5-172.9-2.2115.4S3S3-R5 PolarHBondContact O-N 3.46Å
6S59.5Low74.1Confident29 Ų2979 Ų7920%0.20339%0.385CS..THydrogen-bonded Turntrans-72.6-40.9174.6590000111.6S3 F4 S8 N9 D10S3-S6 PolarHBondContact O-N 3.35Å; S3-S6 PolarHBondContact O-OG 3.38Å; S3-S6 VanDerWaalsContact O-OG 3.13Å; F4-S6 VanDerWaalsContact C-N 3.29Å; F4-S6 PolarHBondContact O-N 3.39Å; S6-S8 VanDerWaalsContact C-N 3.32Å; S6-S8 PolarHBondContact O-N 3.22Å; S6-N9 WeakPolarHBondContact O-CB 3.45Å; S6-N9 PolarHBondContact O-N 3.37Å; S6-D10 PolarHBondContact O-N 3.44Å; S6-D10 VanDerWaalsContact O-N 3.12Å
7F64.7Low75.5Confident50 Ų5075.2 Ų75.222%0.21937%0.366CS..Hα-helixtrans-65.2-37.1-179.3-57.9-69000111.6F4 N9 D10 D11F4-F7 PolarHBondContact O-N 3.19Å; F7-N9 PolarHBondContact O-N 3.33Å; F7-N9 VanDerWaalsContact O-N 3.12Å; F7-D10 PolarHBondContact O-N 2.99Å; F7-D11 PolarHBondContact O-N 3.36Å
8S75.3Confident76.8Confident72 Ų7272.7 Ų72.750%0.50335%0.353SS..Hα-helixtrans-62.2-18.5172.2-450000114.3S6 R12S6-S8 VanDerWaalsContact C-N 3.32Å; S6-S8 PolarHBondContact O-N 3.22Å; S8-R12 WeakPolarHBondContact O-CG 3.46Å
9N85.8Confident77.9Confident52 Ų5273.2 Ų73.228%0.27837%0.365SS..Hα-helixtrans-89-35.4171.8-168.766.7000111.5S6 F7 R12 H13S6-N9 WeakPolarHBondContact O-CB 3.45Å; S6-N9 PolarHBondContact O-N 3.37Å; F7-N9 PolarHBondContact O-N 3.33Å; F7-N9 VanDerWaalsContact O-N 3.12Å; N9-R12 PolarHBondContact O-N 3.01Å; N9-R12 PolarHBondContact OD1-NH1 3.05Å; N9-H13 PolarHBondContact ND2-CE1 3.22Å; N9-H13 PolarHBondContact O-N 3.43Å; N9-H13 PolarHBondContact O-ND1 2.74Å
10D92.8Very high78.8Confident1 Ų174.4 Ų74.41%0.00538%0.376CS..Hα-helixtrans-61.7-46.5173-63.8-10.5000110.2S6 F7 R12 H13 V14 R333 I390S6-D10 PolarHBondContact O-N 3.44Å; S6-D10 VanDerWaalsContact O-N 3.12Å; F7-D10 PolarHBondContact O-N 2.99Å; D10-R12 VanDerWaalsContact C-N 3.3Å; D10-R12 PolarHBondContact O-N 2.96Å; D10-H13 PolarHBondContact O-N 3.47Å; D10-H13 VanDerWaalsContact O-N 3.11Å; D10-V14 PolarHBondContact O-N 3.03Å; D10-R333 IonicContact OD2-CZ 2.88Å; D10-R333 IonicContact OD2-NE 2.67Å; D10-R333 IonicContact OD2-NH2 2.66Å; D10-R333 PolarHBondContact OD2-NH2 2.76Å; D10-I390 HydrophobicContact CB-CD1 3.77Å
11D95.8Very high79.7Confident46 Ų4671.4 Ų71.425%0.24636%0.361CS..Hα-helixtrans-52.5-43.8174-71.8-29.8000112.6F7 H13 V14 M15 A328 G329F7-D11 PolarHBondContact O-N 3.36Å; D11-H13 VanDerWaalsContact C-N 3.34Å; D11-H13 PolarHBondContact O-N 2.99Å; D11-V14 PolarHBondContact O-N 3.47Å; D11-M15 WeakPolarHBondContact O-CB 3.33Å; D11-M15 VanDerWaalsContact O-CG 3.3Å; D11-M15 WeakPolarHBondContact O-CG 3.33Å; D11-M15 PolarHBondContact O-N 2.94Å; D11-A328 PolarHBondContact OD1-N 3.24Å; D11-G329 PolarHBondContact OD1-N 2.82Å
12R95.8Very high82.6Confident88 Ų8863.6 Ų63.633%0.33232%0.319SS..Hα-helixtrans-61.8-40.1179.4-75175.269.3-1387.2112.5S8 N9 D10 A16 L399 P400S8-R12 WeakPolarHBondContact O-CG 3.46Å; N9-R12 PolarHBondContact O-N 3.01Å; N9-R12 PolarHBondContact OD1-NH1 3.05Å; D10-R12 VanDerWaalsContact C-N 3.3Å; D10-R12 PolarHBondContact O-N 2.96Å; R12-A16 VanDerWaalsContact O-CB 3.23Å; R12-A16 WeakPolarHBondContact O-CB 3.38Å; R12-A16 PolarHBondContact O-N 3.16Å; R12-L399 HydrophobicContact CB-CD1 3.95Å; R12-L399 WeakPolarHBondContact O-CD1 3.31Å; R12-P400 PolarHBondContact NH1-O 3.43Å; R12-P400 PolarHBondContact NH2-O 2.86Å
13H97.3Very high85.2Confident4 Ų459.6 Ų59.62%0.01931%0.305CS..Hα-helixtrans-72.1-43179.8-6981.2000110.9N9 D10 D11 M15 A16 K17 I390 L394 M396 L399N9-H13 PolarHBondContact ND2-CE1 3.22Å; N9-H13 PolarHBondContact O-N 3.43Å; N9-H13 PolarHBondContact O-ND1 2.74Å; D10-H13 PolarHBondContact O-N 3.47Å; D10-H13 VanDerWaalsContact O-N 3.11Å; D11-H13 VanDerWaalsContact C-N 3.34Å; D11-H13 PolarHBondContact O-N 2.99Å; H13-M15 PolarHBondContact O-N 3.14Å; H13-A16 PolarHBondContact O-N 3.35Å; H13-K17 WeakPolarHBondContact O-CB 3.11Å; H13-K17 PolarHBondContact O-N 3.28Å; H13-I390 HydrophobicContact CB-CG2 3.93Å; H13-L394 HydrophobicContact CB-CD1 3.89Å; H13-M396 HydrophobicContact CB-SD 3.97Å; H13-L399 HydrophobicContact CB-CD1 4.49Å; H13-L399 PolarHBondContact NE2-N 3.05Å
14V98.1Very high87.7Confident0 Ų058.3 Ų58.30%030%0.296CS..Hα-helixtrans-61.1-45.9175.6178.30000111.2D10 D11 K17 H18 I288 I292 A328 L332 I390 L394D10-V14 PolarHBondContact O-N 3.03Å; D11-V14 PolarHBondContact O-N 3.47Å; V14-K17 PolarHBondContact O-N 2.53Å; V14-H18 VanDerWaalsContact O-CB 3.25Å; V14-H18 WeakPolarHBondContact O-CB 3.08Å; V14-H18 PolarHBondContact O-N 3.2Å; V14-I288 HydrophobicContact CG1-CG2 4.25Å; V14-I292 HydrophobicContact CG1-CD1 4.42Å; V14-I292 HydrophobicContact CG1-CG1 4.1Å; V14-A328 HydrophobicContact CB-CB 4.18Å; V14-A328 HydrophobicContact CG1-CB 3.7Å; V14-L332 HydrophobicContact CG2-CB 4.44Å; V14-L332 HydrophobicContact CG2-CD2 3.69Å; V14-I390 HydrophobicContact CG2-CD1 3.79Å; V14-L394 HydrophobicContact CG2-CD1 4.14Å
15M97.9Very high89.9Confident76 Ų7654 Ų5437%0.37429%0.289SS..Hα-helixtrans-66.3-38.4177.5-67.5-52.6-54.500112.7D11 H13 H18 S19 I288 A328D11-M15 WeakPolarHBondContact O-CB 3.33Å; D11-M15 VanDerWaalsContact O-CG 3.3Å; D11-M15 WeakPolarHBondContact O-CG 3.33Å; D11-M15 PolarHBondContact O-N 2.94Å; H13-M15 PolarHBondContact O-N 3.14Å; M15-H18 PolarHBondContact O-N 3.46Å; M15-S19 PolarHBondContact O-N 3.38Å; M15-S19 PolarHBondContact O-OG 2.7Å; M15-I288 HydrophobicContact CE-CD1 4.21Å; M15-I288 HydrophobicContact SD-CD1 4.01Å; M15-I288 HydrophobicContact SD-CG2 4.13Å; M15-A328 HydrophobicContact SD-CB 4.11Å
16A97.9Very high91.9Very high29 Ų2950.4 Ų50.424%0.2428%0.281CS..Hα-helixtrans-66.3-46.2176.400000112R12 H13 H18 S19 T20 M396 L399R12-A16 VanDerWaalsContact O-CB 3.23Å; R12-A16 WeakPolarHBondContact O-CB 3.38Å; R12-A16 PolarHBondContact O-N 3.16Å; H13-A16 PolarHBondContact O-N 3.35Å; A16-H18 VanDerWaalsContact C-N 3.32Å; A16-H18 PolarHBondContact O-N 3.06Å; A16-S19 PolarHBondContact O-N 3.27Å; A16-T20 PolarHBondContact O-N 2.79Å; A16-T20 VanDerWaalsContact O-N 3.07Å; A16-M396 HydrophobicContact CB-CE 3.91Å; A16-L399 HydrophobicContact CB-CD1 3.83Å; A16-L399 HydrophobicContact CB-CD2 4.2Å
17K98Very high93.5Very high15 Ų1550.8 Ų50.87%0.06528%0.28CS..Hα-helixtrans-60.3-43.8173.6-179.669.8-179.7-160.80110.8H13 V14 S19 T20 I21 I292 D295 L394 M396H13-K17 WeakPolarHBondContact O-CB 3.11Å; H13-K17 PolarHBondContact O-N 3.28Å; V14-K17 PolarHBondContact O-N 2.53Å; K17-S19 VanDerWaalsContact C-N 3.33Å; K17-S19 PolarHBondContact O-N 3.37Å; K17-T20 WeakPolarHBondContact CA-OG1 3.23Å; K17-T20 PolarHBondContact O-N 2.85Å; K17-T20 PolarHBondContact O-OG1 2.96Å; K17-I21 HydrophobicContact CD-CG2 4.33Å; K17-I21 WeakPolarHBondContact O-CG1 3.38Å; K17-I21 PolarHBondContact O-N 3.44Å; K17-I21 VanDerWaalsContact O-N 3.1Å; K17-I292 HydrophobicContact CB-CD1 3.72Å; K17-I292 HydrophobicContact CG-CD1 3.48Å; K17-I292 VanDerWaalsContact CG-CD1 3.48Å; K17-D295 WeakPolarHBondContact CE-OD2 3.37Å; K17-D295 IonicContact NZ-OD1 3.73Å; K17-D295 IonicContact NZ-OD2 3.59Å; K17-D295 PolarHBondContact NZ-OD2 3.24Å; K17-D295 VanDerWaalsContact NZ-OD2 3.12Å; K17-L394 HydrophobicContact CB-CB 4.32Å; K17-L394 HydrophobicContact CB-CD1 4.11Å; K17-L394 HydrophobicContact CD-CB 4.38Å; K17-L394 WeakPolarHBondContact CD-O 3.31Å; K17-L394 VanDerWaalsContact CE-O 3.29Å; K17-L394 WeakPolarHBondContact CE-O 3.3Å; K17-L394 HydrophobicContact CG-CB 4.15Å; K17-L394 HydrophobicContact CG-CD2 4.32Å; K17-L394 PolarHBondContact NZ-O 3.02Å; K17-M396 HydrophobicContact CB-SD 4.09Å
18H98.4Very high95Very high29 Ų2951 Ų5113%0.13428%0.282CS..Hα-helixtrans-56.4-47.9176.1175.1-92.4000110.7V14 M15 A16 T20 I21 Y22 I288 I292V14-H18 VanDerWaalsContact O-CB 3.25Å; V14-H18 WeakPolarHBondContact O-CB 3.08Å; V14-H18 PolarHBondContact O-N 3.2Å; M15-H18 PolarHBondContact O-N 3.46Å; A16-H18 VanDerWaalsContact C-N 3.32Å; A16-H18 PolarHBondContact O-N 3.06Å; H18-T20 VanDerWaalsContact C-N 3.27Å; H18-T20 PolarHBondContact O-N 3.49Å; H18-I21 WeakPolarHBondContact O-CG1 3.38Å; H18-I21 PolarHBondContact O-N 2.88Å; H18-Y22 AromaticContact NE2-CD2 3.1Å; H18-Y22 WeakPolarHBondContact NE2-CD2 3.49Å; H18-Y22 AromaticContact NE2-CE2 3.46Å; H18-Y22 WeakPolarHBondContact NE2-CE2 3.21Å; H18-Y22 AromaticContact NE2-CG 3.88Å; H18-Y22 WeakPolarHBondContact O-CB 3.28Å; H18-Y22 PolarHBondContact O-N 3.49Å; H18-I288 HydrophobicContact CB-CG2 4.13Å; H18-I292 HydrophobicContact CB-CD1 4.08Å; H18-I292 HydrophobicContact CB-CG1 4.48Å
19S97.9Very high95.9Very high82 Ų8253.7 Ų53.757%0.57329%0.287SS*.Hα-helixtrans-62.6-27.7175.6-66.40000114.3M15 A16 K17M15-S19 PolarHBondContact O-N 3.38Å; M15-S19 PolarHBondContact O-OG 2.7Å; A16-S19 PolarHBondContact O-N 3.27Å; K17-S19 VanDerWaalsContact C-N 3.33Å; K17-S19 PolarHBondContact O-N 3.37Å
20T97.4Very high96.3Very high97 Ų9752.6 Ų52.660%0.59529%0.286SS*.Hα-helixtrans-78.8-25.3175.555.20000114.2A16 K17 H18A16-T20 PolarHBondContact O-N 2.79Å; A16-T20 VanDerWaalsContact O-N 3.07Å; K17-T20 WeakPolarHBondContact CA-OG1 3.23Å; K17-T20 PolarHBondContact O-N 2.85Å; K17-T20 PolarHBondContact O-OG1 2.96Å; H18-T20 VanDerWaalsContact C-N 3.27Å; H18-T20 PolarHBondContact O-N 3.49Å
21I97.8Very high96.5Very high13 Ų1353.2 Ų53.27%0.06729%0.289CS..Hα-helixtrans-102.1-8.2179.569.7175.3000112.9K17 H18 I113 K114 R291 I292 D295K17-I21 HydrophobicContact CD-CG2 4.33Å; K17-I21 WeakPolarHBondContact O-CG1 3.38Å; K17-I21 PolarHBondContact O-N 3.44Å; K17-I21 VanDerWaalsContact O-N 3.1Å; H18-I21 WeakPolarHBondContact O-CG1 3.38Å; H18-I21 PolarHBondContact O-N 2.88Å; I21-I113 HydrophobicContact CD1-CG2 4.37Å; I21-I113 CarbonylContact O-C 3.31Å; I21-I113 VanDerWaalsContact O-CA 3.28Å; I21-I113 WeakPolarHBondContact O-CA 3.2Å; I21-I113 WeakPolarHBondContact O-CB 3.38Å; I21-K114 PolarHBondContact O-N 3.08Å; I21-R291 HydrophobicContact CD1-CB 4.28Å; I21-R291 WeakPolarHBondContact CD1-O 3.25Å; I21-I292 HydrophobicContact CD1-CD1 4.01Å; I21-I292 HydrophobicContact CD1-CG1 4.46Å; I21-D295 HydrophobicContact CD1-CB 3.63Å; I21-D295 HydrophobicContact CG2-CB 4.16Å; I21-D295 WeakPolarHBondContact CG2-OD1 3.27Å
22Y97.8Very high96.5Very high85 Ų8555.4 Ų55.433%0.33330%0.298SS..SBendtrans-67.6137.9176.9-166.4-98.8000109.5H18 L28H18-Y22 AromaticContact NE2-CD2 3.1Å; H18-Y22 WeakPolarHBondContact NE2-CD2 3.49Å; H18-Y22 AromaticContact NE2-CE2 3.46Å; H18-Y22 WeakPolarHBondContact NE2-CE2 3.21Å; H18-Y22 AromaticContact NE2-CG 3.88Å; H18-Y22 WeakPolarHBondContact O-CB 3.28Å; H18-Y22 PolarHBondContact O-N 3.49Å; Y22-L28 HydrophobicContact CE1-CD1 3.62Å
23P97Very high96.4Very high8 Ų854.1 Ų54.15%0.05230%0.3CS..PPolyproline II helixtrans-61146.7178.2-14.827.2000110.9E27 L28 L112P23-E27 HydrophobicContact CB-CB 4.06Å; P23-L28 HydrophobicContact CB-CD2 3.86Å; P23-L28 HydrophobicContact CB-CG 4Å; P23-L28 HydrophobicContact CG-CD2 3.96Å; P23-L112 WeakPolarHBondContact CD-O 3.24Å; P23-L112 HydrophobicContact CG-CB 3.94Å
24S95.7Very high96.4Very high51 Ų5154 Ų5436%0.35730%0.299SS..PPolyproline II helixtrans-65.8161.8175.166.40000111.6Q26 E27 L28S24-Q26 PolarHBondContact O-N 2.62Å; S24-E27 WeakPolarHBondContact CB-OE2 3.43Å; S24-E27 PolarHBondContact N-OE2 3.44Å; S24-E27 PolarHBondContact O-N 3.35Å; S24-E27 WeakPolarHBondContact OG-CG 3.45Å; S24-E27 PolarHBondContact OG-N 2.67Å; S24-E27 PolarHBondContact OG-OE2 3.03Å; S24-L28 WeakPolarHBondContact O-CG 3.37Å; S24-L28 PolarHBondContact O-N 3.31Å
25S95Very high96.3Very high96 Ų9654 Ų5467%0.67130%0.299SS*.Hα-helixtrans-57.8-36177-160.70000112.2L28 E29S25-L28 PolarHBondContact O-N 3.05Å; S25-E29 VanDerWaalsContact O-CB 3.25Å; S25-E29 WeakPolarHBondContact O-CB 3.46Å; S25-E29 PolarHBondContact O-N 3.08Å
26Q93.8Very high96.3Very high136 Ų13652.3 Ų52.364%0.63630%0.295SS*.Hα-helixtrans-69.2-40.8177.9-174.2-178.3-0.600112.1S24 E29 A30S24-Q26 PolarHBondContact O-N 2.62Å; Q26-E29 PolarHBondContact O-N 3.15Å; Q26-A30 WeakPolarHBondContact O-CB 3.48Å; Q26-A30 PolarHBondContact O-N 2.98Å
27E93.7Very high96.2Very high37 Ų3752 Ų5217%0.17329%0.29CS..Hα-helixtrans-62.6-43.9173.7-74.4160.9115.700110.9P23 S24 A30 V31 K114 G115P23-E27 HydrophobicContact CB-CB 4.06Å; S24-E27 WeakPolarHBondContact CB-OE2 3.43Å; S24-E27 PolarHBondContact N-OE2 3.44Å; S24-E27 PolarHBondContact O-N 3.35Å; S24-E27 WeakPolarHBondContact OG-CG 3.45Å; S24-E27 PolarHBondContact OG-N 2.67Å; S24-E27 PolarHBondContact OG-OE2 3.03Å; E27-A30 PolarHBondContact O-N 2.7Å; E27-V31 WeakPolarHBondContact O-CB 3.2Å; E27-V31 VanDerWaalsContact O-CG2 3.25Å; E27-V31 WeakPolarHBondContact O-CG2 3.45Å; E27-V31 PolarHBondContact O-N 3.48Å; E27-K114 WeakPolarHBondContact OE1-CG 3.32Å; E27-G115 PolarHBondContact OE1-N 3.34Å
28L95.1Very high96.2Very high53 Ų5351.2 Ų51.228%0.27729%0.287SS..Hα-helixtrans-67-38.6178.1-66.6176.9000113.2Y22 P23 S24 S25 Q32Y22-L28 HydrophobicContact CE1-CD1 3.62Å; P23-L28 HydrophobicContact CB-CD2 3.86Å; P23-L28 HydrophobicContact CB-CG 4Å; P23-L28 HydrophobicContact CG-CD2 3.96Å; S24-L28 WeakPolarHBondContact O-CG 3.37Å; S24-L28 PolarHBondContact O-N 3.31Å; S25-L28 PolarHBondContact O-N 3.05Å; L28-Q32 WeakPolarHBondContact O-CB 3.22Å; L28-Q32 PolarHBondContact O-N 2.96Å
29E94.9Very high96.2Very high130 Ų13052 Ų5261%0.60729%0.29SS*.Hα-helixtrans-65.9-45.9175.9-174.3169.1-16200110.8S25 Q26 V31 Q32 T33S25-E29 VanDerWaalsContact O-CB 3.25Å; S25-E29 WeakPolarHBondContact O-CB 3.46Å; S25-E29 PolarHBondContact O-N 3.08Å; Q26-E29 PolarHBondContact O-N 3.15Å; E29-V31 PolarHBondContact O-N 3.23Å; E29-Q32 PolarHBondContact O-N 3.42Å; E29-T33 WeakPolarHBondContact O-CB 3.4Å; E29-T33 PolarHBondContact O-N 2.88Å; E29-T33 PolarHBondContact O-OG1 3.19Å; E29-T33 VanDerWaalsContact O-OG1 3.05Å
30A94.4Very high96.1Very high29 Ų2950.8 Ų50.824%0.2428%0.281CS..Hα-helixtrans-59.4-44.4174.500000112.4Q26 E27 T33 L34 P172 L174Q26-A30 WeakPolarHBondContact O-CB 3.48Å; Q26-A30 PolarHBondContact O-N 2.98Å; E27-A30 PolarHBondContact O-N 2.7Å; A30-T33 PolarHBondContact O-N 2.8Å; A30-L34 WeakPolarHBondContact O-CB 3.43Å; A30-L34 PolarHBondContact O-N 3.32Å; A30-P172 HydrophobicContact CB-CG 4.04Å; A30-L174 HydrophobicContact CB-CD1 3.88Å
31V96.3Very high96.1Very high13 Ų1346.1 Ų46.18%0.07925%0.253CS..Hα-helixtrans-61.4-47.5175.2168.70000111.3E27 E29 T33 V35 L112 L119 L174E27-V31 WeakPolarHBondContact O-CB 3.2Å; E27-V31 VanDerWaalsContact O-CG2 3.25Å; E27-V31 WeakPolarHBondContact O-CG2 3.45Å; E27-V31 PolarHBondContact O-N 3.48Å; E29-V31 PolarHBondContact O-N 3.23Å; V31-T33 PolarHBondContact O-N 3.01Å; V31-V35 HydrophobicContact CG1-CG2 4.39Å; V31-V35 WeakPolarHBondContact O-CB 3.41Å; V31-V35 VanDerWaalsContact O-CG2 3.25Å; V31-V35 WeakPolarHBondContact O-CG2 3.36Å; V31-V35 PolarHBondContact O-N 2.68Å; V31-L112 HydrophobicContact CG1-CD1 3.96Å; V31-L119 HydrophobicContact CB-CD1 4.48Å; V31-L119 HydrophobicContact CG1-CD1 4.09Å; V31-L119 HydrophobicContact CG1-CD2 4.01Å; V31-L119 HydrophobicContact CG2-CD1 4.13Å; V31-L119 HydrophobicContact CG2-CD2 4.04Å; V31-L174 HydrophobicContact CB-CD1 4.43Å; V31-L174 HydrophobicContact CG2-CD1 3.78Å; V31-L174 HydrophobicContact CG2-CD2 4.05Å
32Q95.8Very high96.1Very high93 Ų9345.6 Ų45.644%0.43525%0.25SS..Hα-helixtrans-65.6-39.3-179.7-18064.923.400111.6L28 E29 S36L28-Q32 WeakPolarHBondContact O-CB 3.22Å; L28-Q32 PolarHBondContact O-N 2.96Å; E29-Q32 PolarHBondContact O-N 3.42Å; Q32-S36 PolarHBondContact NE2-OG 2.85Å; Q32-S36 VanDerWaalsContact O-CB 3.24Å; Q32-S36 WeakPolarHBondContact O-CB 3.36Å; Q32-S36 PolarHBondContact O-N 2.93Å; Q32-S36 PolarHBondContact O-OG 3.26Å
33T95.3Very high96Very high60 Ų6047.2 Ų47.237%0.36826%0.259SS..Hα-helixtrans-65.7-48.8177.4-65.20000111.8E29 A30 V31 T37E29-T33 WeakPolarHBondContact O-CB 3.4Å; E29-T33 PolarHBondContact O-N 2.88Å; E29-T33 PolarHBondContact O-OG1 3.19Å; E29-T33 VanDerWaalsContact O-OG1 3.05Å; A30-T33 PolarHBondContact O-N 2.8Å; V31-T33 PolarHBondContact O-N 3.01Å; T33-T37 WeakPolarHBondContact O-CB 3.35Å; T33-T37 PolarHBondContact O-N 3.02Å; T33-T37 PolarHBondContact O-OG1 2.89Å
34L95.9Very high95.9Very high1 Ų149.2 Ų49.21%0.00527%0.267CS..Hα-helixtrans-58.7-52.2176.3163.660.2000111A30 S36 T37 V38 L119 Y153 V166 T168 L174 L176A30-L34 WeakPolarHBondContact O-CB 3.43Å; A30-L34 PolarHBondContact O-N 3.32Å; L34-S36 PolarHBondContact O-N 3.31Å; L34-T37 PolarHBondContact O-N 2.76Å; L34-V38 HydrophobicContact CD1-CG2 3.85Å; L34-V38 WeakPolarHBondContact O-CB 3.34Å; L34-V38 WeakPolarHBondContact O-CG2 3.38Å; L34-V38 PolarHBondContact O-N 3.28Å; L34-L119 HydrophobicContact CD2-CD1 3.77Å; L34-Y153 HydrophobicContact CD1-CD1 3.96Å; L34-Y153 HydrophobicContact CD1-CE1 3.57Å; L34-V166 HydrophobicContact CD1-CG1 4.18Å; L34-T168 HydrophobicContact CD1-CG2 4.39Å; L34-T168 HydrophobicContact CD2-CG2 4.11Å; L34-L174 HydrophobicContact CD2-CB 3.47Å; L34-L174 VanDerWaalsContact CD2-CB 3.47Å; L34-L174 HydrophobicContact CD2-CD1 3.92Å; L34-L174 HydrophobicContact CD2-CG 4.36Å; L34-L176 HydrophobicContact CD1-CB 4.31Å; L34-L176 HydrophobicContact CD1-CD2 4.04Å; L34-L176 HydrophobicContact CD2-CB 4.16Å; L34-L176 HydrophobicContact CG-CB 4.37Å; L34-L176 HydrophobicContact CG-CD2 4.18Å
35V97.1Very high96Very high1 Ų146.8 Ų46.81%0.00625%0.25CS..Hα-helixtrans-62.6-46.6-178173.40000111.2V31 T37 V38 E39 R103 L119 L121 L176V31-V35 HydrophobicContact CG1-CG2 4.39Å; V31-V35 WeakPolarHBondContact O-CB 3.41Å; V31-V35 VanDerWaalsContact O-CG2 3.25Å; V31-V35 WeakPolarHBondContact O-CG2 3.36Å; V31-V35 PolarHBondContact O-N 2.68Å; V35-T37 PolarHBondContact O-N 2.76Å; V35-V38 PolarHBondContact O-N 2.73Å; V35-E39 HydrophobicContact CG1-CG 4.24Å; V35-E39 WeakPolarHBondContact O-CB 3.17Å; V35-E39 VanDerWaalsContact O-CG 3.25Å; V35-E39 WeakPolarHBondContact O-CG 3.49Å; V35-E39 PolarHBondContact O-N 3.34Å; V35-R103 HydrophobicContact CG1-CG 4.3Å; V35-L119 HydrophobicContact CG2-CD1 4.29Å; V35-L121 HydrophobicContact CG1-CD2 4.17Å; V35-L176 HydrophobicContact CG2-CD1 4.04Å
36S96.9Very high96Very high41 Ų4142.8 Ų42.829%0.28722%0.224SC..Hα-helixtrans-68.4-36.5-178.2-48.40000112.6Q32 L34 C40Q32-S36 PolarHBondContact NE2-OG 2.85Å; Q32-S36 VanDerWaalsContact O-CB 3.24Å; Q32-S36 WeakPolarHBondContact O-CB 3.36Å; Q32-S36 PolarHBondContact O-N 2.93Å; Q32-S36 PolarHBondContact O-OG 3.26Å; L34-S36 PolarHBondContact O-N 3.31Å; S36-C40 WeakPolarHBondContact O-CB 2.96Å; S36-C40 PolarHBondContact O-N 3.11Å
37T96.8Very high96Very high21 Ų2139 Ų3913%0.12921%0.208CC..Hα-helixtrans-63.7-46.6174.9-610000110.6T33 L34 V35 C40 A41 I145 L148 T149T33-T37 WeakPolarHBondContact O-CB 3.35Å; T33-T37 PolarHBondContact O-N 3.02Å; T33-T37 PolarHBondContact O-OG1 2.89Å; L34-T37 PolarHBondContact O-N 2.76Å; V35-T37 PolarHBondContact O-N 2.76Å; T37-C40 PolarHBondContact O-N 2.71Å; T37-A41 WeakPolarHBondContact O-CB 3.44Å; T37-A41 PolarHBondContact O-N 3.13Å; T37-I145 HydrophobicContact CG2-CG2 4.28Å; T37-L148 HydrophobicContact CG2-CB 4.38Å; T37-T149 HydrophobicContact CG2-CG2 3.76Å
38V97.4Very high96Very high0 Ų042 Ų420%022%0.218CC..Hα-helixtrans-70.9-38.2-179.2172.80000112L34 V35 C40 A41 L42 L121 I145 V166 L176 I178L34-V38 HydrophobicContact CD1-CG2 3.85Å; L34-V38 WeakPolarHBondContact O-CB 3.34Å; L34-V38 WeakPolarHBondContact O-CG2 3.38Å; L34-V38 PolarHBondContact O-N 3.28Å; V35-V38 PolarHBondContact O-N 2.73Å; V38-C40 PolarHBondContact O-N 2.84Å; V38-A41 PolarHBondContact O-N 2.72Å; V38-L42 HydrophobicContact CG1-CD1 3.87Å; V38-L42 HydrophobicContact CG1-CG 4.18Å; V38-L42 WeakPolarHBondContact O-CB 3.48Å; V38-L42 VanDerWaalsContact O-CG 3.29Å; V38-L42 WeakPolarHBondContact O-CG 3.36Å; V38-L42 PolarHBondContact O-N 3.45Å; V38-L121 HydrophobicContact CG1-CD1 4.32Å; V38-I145 HydrophobicContact CG2-CD1 4.23Å; V38-V166 HydrophobicContact CG2-CG1 4.05Å; V38-L176 HydrophobicContact CB-CD2 3.69Å; V38-L176 HydrophobicContact CG1-CD2 3.67Å; V38-L176 HydrophobicContact CG2-CD2 3.81Å; V38-I178 HydrophobicContact CG1-CD1 3.77Å; V38-I178 HydrophobicContact CG1-CG1 4.43Å
39E97.6Very high95.9Very high44 Ų4440.4 Ų40.421%0.20621%0.209CC..Hα-helixtrans-58.6-45.3171.8-76.6170.7157.700111.8V35 K43 V101 R103 L121V35-E39 HydrophobicContact CG1-CG 4.24Å; V35-E39 WeakPolarHBondContact O-CB 3.17Å; V35-E39 VanDerWaalsContact O-CG 3.25Å; V35-E39 WeakPolarHBondContact O-CG 3.49Å; V35-E39 PolarHBondContact O-N 3.34Å; E39-K43 PolarHBondContact O-N 3.18Å; E39-V101 HydrophobicContact CG-CG1 4.02Å; E39-R103 WeakPolarHBondContact OE1-CD 3.44Å; E39-R103 WeakPolarHBondContact OE1-CG 3.47Å; E39-R103 IonicContact OE1-CZ 2.94Å; E39-R103 IonicContact OE1-NE 2.69Å; E39-R103 PolarHBondContact OE1-NE 3.08Å; E39-R103 IonicContact OE1-NH2 3.76Å; E39-R103 IonicContact OE2-CZ 3.11Å; E39-R103 IonicContact OE2-NE 2.7Å; E39-R103 PolarHBondContact OE2-NE 3.04Å; E39-R103 IonicContact OE2-NH2 3.62Å; E39-R103 PolarHBondContact OE2-NH2 3.26Å; E39-L121 HydrophobicContact CG-CD1 4.3Å
40C97.3Very high95.7Very high57 Ų5736.8 Ų36.839%0.38519%0.194SC..Hα-helixtrans-67.8-38.8177.3-171.80000112.2S36 T37 V38 K43 Q44 L148S36-C40 WeakPolarHBondContact O-CB 2.96Å; S36-C40 PolarHBondContact O-N 3.11Å; T37-C40 PolarHBondContact O-N 2.71Å; V38-C40 PolarHBondContact O-N 2.84Å; C40-K43 PolarHBondContact O-N 3.21Å; C40-Q44 PolarHBondContact O-N 3.47Å; C40-Q44 VanDerWaalsContact O-N 3.09Å; C40-L148 HydrophobicContact CB-CD1 3.72Å
41A97.5Very high95.3Very high0 Ų042.2 Ų42.20%021%0.214CC..Hα-helixtrans-66.3-44.7175.900000111.9T37 V38 K43 Q44 V45 L141 Q144 I145 L148T37-A41 WeakPolarHBondContact O-CB 3.44Å; T37-A41 PolarHBondContact O-N 3.13Å; V38-A41 PolarHBondContact O-N 2.72Å; A41-K43 VanDerWaalsContact C-N 3.3Å; A41-K43 PolarHBondContact O-N 3.36Å; A41-Q44 CarbonylContact O-C 3.34Å; A41-Q44 WeakPolarHBondContact O-CA 3.43Å; A41-Q44 WeakPolarHBondContact O-CB 3.31Å; A41-Q44 PolarHBondContact O-N 2.86Å; A41-V45 WeakPolarHBondContact O-CG2 3.45Å; A41-V45 PolarHBondContact O-N 3.23Å; A41-L141 HydrophobicContact CB-CD1 3.64Å; A41-Q144 HydrophobicContact CB-CB 4.04Å; A41-I145 HydrophobicContact CB-CB 4.49Å; A41-I145 HydrophobicContact CB-CG1 3.53Å; A41-L148 HydrophobicContact CB-CD1 4.01Å
42L97.4Very high94.4Very high2 Ų244.7 Ų44.71%0.0123%0.232CC..Hα-helixtrans-61.2-37.6174.3-76.1170.3000111.8V38 Q44 V45 A46 V101 L123 V137 L141 I178V38-L42 HydrophobicContact CG1-CD1 3.87Å; V38-L42 HydrophobicContact CG1-CG 4.18Å; V38-L42 WeakPolarHBondContact O-CB 3.48Å; V38-L42 VanDerWaalsContact O-CG 3.29Å; V38-L42 WeakPolarHBondContact O-CG 3.36Å; V38-L42 PolarHBondContact O-N 3.45Å; L42-Q44 VanDerWaalsContact C-N 3.34Å; L42-Q44 PolarHBondContact O-N 3.02Å; L42-V45 WeakPolarHBondContact O-CB 3.45Å; L42-V45 PolarHBondContact O-N 3.46Å; L42-A46 PolarHBondContact O-N 3.19Å; L42-V101 HydrophobicContact CB-CG2 3.7Å; L42-V101 HydrophobicContact CD1-CG1 4.02Å; L42-V101 HydrophobicContact CD1-CG2 3.75Å; L42-V101 HydrophobicContact CG-CG2 4.37Å; L42-L123 HydrophobicContact CD2-CD2 4.23Å; L42-V137 HydrophobicContact CD2-CG1 3.94Å; L42-L141 HydrophobicContact CD2-CD1 4.03Å; L42-L141 HydrophobicContact CD2-CD2 4.29Å; L42-L141 HydrophobicContact CG-CD1 4.06Å; L42-I178 HydrophobicContact CD1-CD1 4.16Å; L42-I178 HydrophobicContact CD1-CG1 4.47Å; L42-I178 HydrophobicContact CD1-CG2 4.09Å
43K95.9Very high93Very high119 Ų11944.2 Ų44.252%0.51724%0.239SC..Hα-helixtrans-60.1-42.9170.3174.3160.9172.543.40111.9E39 C40 A41 V45 A46 D47E39-K43 PolarHBondContact O-N 3.18Å; C40-K43 PolarHBondContact O-N 3.21Å; A41-K43 VanDerWaalsContact C-N 3.3Å; A41-K43 PolarHBondContact O-N 3.36Å; K43-V45 VanDerWaalsContact C-N 3.3Å; K43-V45 PolarHBondContact O-N 2.79Å; K43-A46 WeakPolarHBondContact O-CB 3.43Å; K43-A46 PolarHBondContact O-N 2.91Å; K43-D47 IonicContact NZ-OD1 3.12Å; K43-D47 PolarHBondContact NZ-OD1 2.91Å; K43-D47 IonicContact NZ-OD2 2.67Å; K43-D47 PolarHBondContact NZ-OD2 2.96Å; K43-D47 PolarHBondContact O-N 3.04Å
44Q95.1Very high91Very high49 Ų4944.4 Ų44.423%0.22925%0.253CS..Hα-helixtrans-67.3-28.4175.2-68.517638.600113.2C40 A41 L42 W48 Q144C40-Q44 PolarHBondContact O-N 3.47Å; C40-Q44 VanDerWaalsContact O-N 3.09Å; A41-Q44 CarbonylContact O-C 3.34Å; A41-Q44 WeakPolarHBondContact O-CA 3.43Å; A41-Q44 WeakPolarHBondContact O-CB 3.31Å; A41-Q44 PolarHBondContact O-N 2.86Å; L42-Q44 VanDerWaalsContact C-N 3.34Å; L42-Q44 PolarHBondContact O-N 3.02Å; Q44-W48 VanDerWaalsContact O-CB 3.31Å; Q44-W48 WeakPolarHBondContact O-CB 3.39Å; Q44-W48 PolarHBondContact O-N 3.2Å; Q44-W48 VanDerWaalsContact O-N 3.14Å; Q44-Q144 HydrophobicContact CB-CB 4.07Å; Q44-Q144 HydrophobicContact CB-CG 3.98Å
45V96.3Very high88.4Confident0 Ų051 Ų510%029%0.288CS..Hα-helixtrans-67.6-45.2170.31800000110.5A41 L42 K43 W48 L49 V137 N140 L141 Q144A41-V45 WeakPolarHBondContact O-CG2 3.45Å; A41-V45 PolarHBondContact O-N 3.23Å; L42-V45 WeakPolarHBondContact O-CB 3.45Å; L42-V45 PolarHBondContact O-N 3.46Å; K43-V45 VanDerWaalsContact C-N 3.3Å; K43-V45 PolarHBondContact O-N 2.79Å; V45-W48 PolarHBondContact O-N 2.78Å; V45-L49 HydrophobicContact CG1-CD1 4.15Å; V45-L49 HydrophobicContact CG1-CG 4.44Å; V45-L49 WeakPolarHBondContact O-CG 3.07Å; V45-L49 PolarHBondContact O-N 3.31Å; V45-V137 HydrophobicContact CG1-CB 4.4Å; V45-V137 HydrophobicContact CG1-CG1 4.2Å; V45-V137 HydrophobicContact CG1-CG2 4.1Å; V45-N140 HydrophobicContact CG1-CB 4.15Å; V45-N140 HydrophobicContact CG2-CB 4.21Å; V45-L141 HydrophobicContact CG2-CB 4.31Å; V45-L141 HydrophobicContact CG2-CD1 4.38Å; V45-Q144 HydrophobicContact CG2-CB 4.47Å; V45-Q144 HydrophobicContact CG2-CG 3.71Å
46A95.2Very high85.3Confident13 Ų1355.1 Ų55.111%0.10732%0.323CS..Hα-helixtrans-59.1-52.7175.400000111.5L42 K43 W48 L49 D50 L98L42-A46 PolarHBondContact O-N 3.19Å; K43-A46 WeakPolarHBondContact O-CB 3.43Å; K43-A46 PolarHBondContact O-N 2.91Å; A46-W48 PolarHBondContact O-N 3.12Å; A46-W48 VanDerWaalsContact O-N 3.08Å; A46-L49 PolarHBondContact O-N 2.97Å; A46-D50 VanDerWaalsContact O-CG 3.32Å; A46-D50 PolarHBondContact O-N 3.48Å; A46-L98 HydrophobicContact CB-CB 3.85Å; A46-L98 HydrophobicContact CB-CD1 4.03Å; A46-L98 HydrophobicContact CB-CG 4.45Å
47D94.3Very high82.8Confident57 Ų5758.5 Ų58.531%0.30534%0.343SS..Hα-helixtrans-57.6-29.5178.3-62-23.4000111.9K43 Q51K43-D47 IonicContact NZ-OD1 3.12Å; K43-D47 PolarHBondContact NZ-OD1 2.91Å; K43-D47 IonicContact NZ-OD2 2.67Å; K43-D47 PolarHBondContact NZ-OD2 2.96Å; K43-D47 PolarHBondContact O-N 3.04Å; D47-Q51 VanDerWaalsContact O-CD 3.28Å; D47-Q51 VanDerWaalsContact O-CG 3.24Å; D47-Q51 WeakPolarHBondContact O-CG 3.49Å; D47-Q51 PolarHBondContact O-N 3.35Å; D47-Q51 PolarHBondContact O-NE2 3.24Å
48W94Very high79.8Confident100 Ų10065.5 Ų65.538%0.37938%0.38SS..Hα-helixtrans-79.8-37.6175.3172.880.3000113.8Q44 V45 A46 D50 Q51 S52 T136 N140Q44-W48 VanDerWaalsContact O-CB 3.31Å; Q44-W48 WeakPolarHBondContact O-CB 3.39Å; Q44-W48 PolarHBondContact O-N 3.2Å; Q44-W48 VanDerWaalsContact O-N 3.14Å; V45-W48 PolarHBondContact O-N 2.78Å; A46-W48 PolarHBondContact O-N 3.12Å; A46-W48 VanDerWaalsContact O-N 3.08Å; W48-D50 VanDerWaalsContact C-N 3.3Å; W48-Q51 PolarHBondContact O-N 3.35Å; W48-S52 WeakPolarHBondContact O-CB 3.19Å; W48-S52 PolarHBondContact O-N 2.91Å; W48-S52 PolarHBondContact O-OG 3Å; W48-T136 HydrophobicContact CH2-CG2 4.31Å; W48-T136 HydrophobicContact CZ3-CG2 3.92Å; W48-N140 VanDerWaalsContact CD2-ND2 3.27Å; W48-N140 HydrophobicContact CE3-CB 4.46Å; W48-N140 HydrophobicContact CZ3-CB 4.39Å; W48-N140 WeakPolarHBondContact CZ3-ND2 3.33Å
49L92.8Very high77Confident19 Ų1970.1 Ų70.110%0.09941%0.413CS..Hα-helixtrans-62.6-40.3173.7-75.8169.8000110.8V45 A46 Q51 S52 S53 L98 L133 T136 V137V45-L49 HydrophobicContact CG1-CD1 4.15Å; V45-L49 HydrophobicContact CG1-CG 4.44Å; V45-L49 WeakPolarHBondContact O-CG 3.07Å; V45-L49 PolarHBondContact O-N 3.31Å; A46-L49 PolarHBondContact O-N 2.97Å; L49-Q51 VanDerWaalsContact C-N 3.34Å; L49-Q51 PolarHBondContact O-N 3.01Å; L49-S52 WeakPolarHBondContact CA-OG 3.38Å; L49-S52 PolarHBondContact O-N 3.22Å; L49-S52 PolarHBondContact O-OG 2.92Å; L49-S53 WeakPolarHBondContact O-CB 3.32Å; L49-S53 PolarHBondContact O-N 3.48Å; L49-S53 PolarHBondContact O-OG 3.47Å; L49-L98 HydrophobicContact CD1-CD1 3.63Å; L49-L98 HydrophobicContact CD1-CG 3.91Å; L49-L133 HydrophobicContact CD1-CD1 4.17Å; L49-T136 HydrophobicContact CD2-CG2 3.93Å; L49-V137 HydrophobicContact CD1-CG2 4.23Å
50D90.5Very high73.9Confident53 Ų5375.4 Ų75.428%0.28344%0.442SS..Hα-helixtrans-69.8-33.1179.2-61.6-11.9000111.7A46 W48 S53 G54 G96 T97A46-D50 VanDerWaalsContact O-CG 3.32Å; A46-D50 PolarHBondContact O-N 3.48Å; W48-D50 VanDerWaalsContact C-N 3.3Å; D50-S53 PolarHBondContact O-OG 3.27Å; D50-G54 PolarHBondContact O-N 2.78Å; D50-G96 VanDerWaalsContact CG-CA 3.43Å; D50-G96 WeakPolarHBondContact OD1-CA 3.26Å; D50-G96 WeakPolarHBondContact OD2-CA 3.47Å; D50-T97 PolarHBondContact OD1-N 3.01Å
51Q86.6Confident70.6Confident144 Ų14481.2 Ų81.267%0.67346%0.461SS*.Hα-helixtrans-72.9-33.5173.5-76.7165.956.300113.3D47 W48 L49D47-Q51 VanDerWaalsContact O-CD 3.28Å; D47-Q51 VanDerWaalsContact O-CG 3.24Å; D47-Q51 WeakPolarHBondContact O-CG 3.49Å; D47-Q51 PolarHBondContact O-N 3.35Å; D47-Q51 PolarHBondContact O-NE2 3.24Å; W48-Q51 PolarHBondContact O-N 3.35Å; L49-Q51 VanDerWaalsContact C-N 3.34Å; L49-Q51 PolarHBondContact O-N 3.01Å
52S77.3Confident67.4Low65 Ų6587 Ų8746%0.45549%0.492SS..Hα-helixtrans-85.6-21.3-177.849.60000114W48 L49W48-S52 WeakPolarHBondContact O-CB 3.19Å; W48-S52 PolarHBondContact O-N 2.91Å; W48-S52 PolarHBondContact O-OG 3Å; L49-S52 WeakPolarHBondContact CA-OG 3.38Å; L49-S52 PolarHBondContact O-N 3.22Å; L49-S52 PolarHBondContact O-OG 2.92Å
53S65.4Low64.3Low82 Ų8292.2 Ų92.257%0.57353%0.529SS*.Hα-helixtrans-84.6-18.3171.353.30000113.9L49 D50L49-S53 WeakPolarHBondContact O-CB 3.32Å; L49-S53 PolarHBondContact O-N 3.48Å; L49-S53 PolarHBondContact O-OG 3.47Å; D50-S53 PolarHBondContact O-OG 3.27Å
54G54.8Low61.4Low65 Ų6595.3 Ų95.367%0.6755%0.545SS*.SBendtrans-81.2-4.9-178.400000116.7D50D50-G54 PolarHBondContact O-N 2.78Å
55D39.9Very low59Low139 Ų13998.9 Ų98.974%0.74357%0.573SS**  trans-106.858.3-169.7-151.318000112.8P57D55-P57 WeakPolarHBondContact O-CD 3.4Å
56A33.5Very low55.9Low88 Ų88104.1 Ų104.173%0.72762%0.616SS**  trans-99.699.8163.600000109D58A56-D58 PolarHBondContact O-N 3.1Å
57P43.6Very low52.6Low111 Ų111110.8 Ų110.872%0.72165%0.65SS**  trans-79.396.8-171.930.3-35000111.5D55 S59D55-P57 WeakPolarHBondContact O-CD 3.4Å; P57-S59 PolarHBondContact O-N 3.45Å; P57-S59 VanDerWaalsContact O-N 3.14Å
58D34.3Very low49.5Very low169 Ų169112.2 Ų112.290%0.90466%0.664SS**  trans-70.5108.6172.1-139.9-3000109.9A56 N60A56-D58 PolarHBondContact O-N 3.1Å; D58-N60 PolarHBondContact O-N 3.44Å
59S38.9Very low46.4Very low97 Ų97113.4 Ų113.468%0.67868%0.683SS**  trans-86.8108.4-169.160.10000112.4P57P57-S59 PolarHBondContact O-N 3.45Å; P57-S59 VanDerWaalsContact O-N 3.14Å
60N31.8Very low43.5Very low155 Ų155121.3 Ų121.383%0.82972%0.719SS**  trans179.2154133.4-100.5-53.7000116.2D58D58-N60 PolarHBondContact O-N 3.44Å
61F27.8Very low40.8Very low179 Ų179128.6 Ų128.679%0.78575%0.751SS**  trans7289.6160.3-119.9-95000117.6
62D30.2Very low38Very low121 Ų121129.1 Ų129.165%0.64776%0.759SS**  76.7102.166.5-17134000115.3
63S32.8Very low35.9Very low112 Ų112133.3 Ų133.378%0.78378%0.776SS**  -176.3147.5128.8-82.20000112.7
64Q33.9Very low34.9Very low184 Ų184135 Ų13586%0.8679%0.785SS**  trans-74.5167.3-165.5-92.2177.3-103.300117.8
65P44.8Very low33.6Very low124 Ų124135.2 Ų135.281%0.80579%0.787SS**  trans-83.7164.7-172.535.6-38.3000114.5
66A31.2Very low33.1Very low110 Ų110138.2 Ų138.291%0.90980%0.797SS**  trans-126.5157.716800000111.5
67D25.8Very low32.8Very low153 Ų153142.8 Ų142.882%0.81880%0.803SS**  trans-109.5170.9-157.1-179.630.9000113.1
68S29.1Very low32.5Very low86 Ų86142 Ų14260%0.60180%0.798SS**  trans86.2118150.668.30000122.4
69T29.6Very low32.2Very low126 Ų126145.7 Ų145.777%0.77380%0.8SS**  trans77.4110.5131.252.30000123.1
70E32.6Very low31.7Very low185 Ų185149.9 Ų149.986%0.86481%0.808SS**  trans11.4132.9130.5-56.4176.5174.100120.3
71E32.9Very low31.6Very low205 Ų205152 Ų15296%0.95881%0.813SS**  -165.9178.9113-108.2-177.9-155.600111.8
72D28.9Very low31.6Very low156 Ų156148.2 Ų148.283%0.83482%0.815SS**  trans-112.5177.3-143.9-138-26.6000116.5
73D31.9Very low31.6Very low152 Ų152151.6 Ų151.681%0.81383%0.827SS**  trans80.2148.7158.5-127.341.2000120
74P44.2Very low31.4Very low117 Ų117155.8 Ų155.876%0.7683%0.834SS**  trans-126.3169.7-144.541.3-27000116.3
75G28.1Very low31.1Very low70 Ų70152.3 Ų152.372%0.72283%0.83SS**  trans172.2145.1165.500000116.4
76E28.8Very low30.3Very low202 Ų202154.1 Ų154.194%0.94483%0.833SS**  trans70.295.6165.1-56.5-162.8144.500119.3
77E28.6Very low30.4Very low184 Ų184158.7 Ų158.786%0.8684%0.836SS**  trans-119.3163.2144.3-100.5-162.6-144.400109
78P36.5Very low30.4Very low95 Ų95153.7 Ų153.762%0.61782%0.82SS**  cis-129.8175-21.932.7-14.8000112.4
79R27.6Very low30.9Very low247 Ų247160.4 Ų160.493%0.93283%0.834SS**  trans-133.290.3159.3-74.7-169.1-176.8-175.14110
80E29Very low30.8Very low184 Ų184166.1 Ų166.186%0.8684%0.841SS**  trans-88.7119163.5-66.6-170.5143.400109.3
81E28.9Very low31.3Very low200 Ų200166.1 Ų166.194%0.93584%0.841SS**  trans-86.8116.4161.5-67.9-176161.900107.4
82A29Very low31.3Very low99 Ų99161.6 Ų161.682%0.81883%0.832SS**  trans-99.5114.9177.500000110.3
83E30Very low31.7Very low192 Ų192158.1 Ų158.190%0.89783%0.833SS**  trans-117.2125.6155.2-72.1-153.5150.200109.8
84E28.8Very low32.2Very low201 Ų201154 Ų15494%0.93983%0.827SS**  trans-73.5123.4171.7-64.817613200109.7
85S27.7Very low32.8Very low110 Ų110151.3 Ų151.377%0.76982%0.82SS**  trans-150.1131.5153.360.30000112
86N26.6Very low35Very low162 Ų162148.7 Ų148.787%0.86679%0.793SS**  trans45.7123.3157.1-118.612.7000119.2G88N86-G88 PolarHBondContact O-N 2.91Å
87E34.1Very low37.7Very low207 Ų207141 Ų14197%0.96776%0.76SS**  trans-69.469.1154.1-74.3-176.1135.800109.9
88G26.6Very low40.7Very low48 Ų48132.9 Ų132.950%0.49572%0.722SS.*  trans-74.1149.8154.900000109.3N86 R90N86-G88 PolarHBondContact O-N 2.91Å; G88-R90 PolarHBondContact O-N 3.32Å; G88-R90 VanDerWaalsContact O-N 3.09Å
89Y37.7Very low43.3Very low226 Ų226132.4 Ų132.489%0.88672%0.72SS**  trans-45.5117172.3-77-106.9000110.7E91Y89-E91 PolarHBondContact O-N 2.91Å
90R27.4Very low46.4Very low247 Ų247122.1 Ų122.193%0.93269%0.691SS**  trans-73.589.8157.2-89-174.3170171.9-2.5107.3G88 S92G88-R90 PolarHBondContact O-N 3.32Å; G88-R90 VanDerWaalsContact O-N 3.09Å; R90-S92 PolarHBondContact O-N 2.78Å
91E43.5Very low49.7Very low185 Ų185115.4 Ų115.486%0.86466%0.662SS**  trans-6189.1154.6-73.1-174.5139.600108.1Y89 G93Y89-E91 PolarHBondContact O-N 2.91Å; E91-G93 VanDerWaalsContact C-N 3.34Å; E91-G93 PolarHBondContact O-N 3.07Å; E91-G93 VanDerWaalsContact O-N 3.14Å
92S33.5Very low52.9Low110 Ų110109.2 Ų109.277%0.76964%0.635SS**  trans-72.797.8158.8-171.20000106.1R90 G94R90-S92 PolarHBondContact O-N 2.78Å; S92-G94 PolarHBondContact O-N 3.24Å; S92-G94 VanDerWaalsContact O-N 3.13Å
93G38Very low56.2Low82 Ų82108.1 Ų108.185%0.84561%0.609SS**SBendtrans-51.2117.7-177.400000111.8E91E91-G93 VanDerWaalsContact C-N 3.34Å; E91-G93 PolarHBondContact O-N 3.07Å; E91-G93 VanDerWaalsContact O-N 3.14Å
94G40.7Very low59.4Low66 Ų6699.1 Ų99.168%0.6857%0.567SS**  trans151.866.3-166.100000108.7S92 G96S92-G94 PolarHBondContact O-N 3.24Å; S92-G94 VanDerWaalsContact O-N 3.13Å; G94-G96 VanDerWaalsContact C-N 3.33Å; G94-G96 PolarHBondContact O-N 2.82Å
95G56.8Low62.6Low60 Ų6090 Ų9062%0.61953%0.527SS*.  trans-73.281.3-170.800000112.7R126G95-R126 PolarHBondContact O-NH1 2.91Å
96G74.8Confident65.9Low15 Ų1586.4 Ų86.416%0.15550%0.5CS..  trans-61.2160.6176.700000114.4D50 G94 L98D50-G96 VanDerWaalsContact CG-CA 3.43Å; D50-G96 WeakPolarHBondContact OD1-CA 3.26Å; D50-G96 WeakPolarHBondContact OD2-CA 3.47Å; G94-G96 VanDerWaalsContact C-N 3.33Å; G94-G96 PolarHBondContact O-N 2.82Å; G96-L98 VanDerWaalsContact C-N 3.26Å; G96-L98 PolarHBondContact O-N 2.88Å
97T85.6Confident69.3Low41 Ų4179.8 Ų79.825%0.25247%0.465SS..SBendtrans-65.1-31.7-175.9-55.50000112.2D50 R126 L133D50-T97 PolarHBondContact OD1-N 3.01Å; T97-R126 PolarHBondContact O-N 2.79Å; T97-L133 HydrophobicContact CG2-CD1 4.09Å; T97-L133 HydrophobicContact CG2-CD2 4.27Å
98L92.3Very high72.2Confident13 Ų1370.6 Ų70.67%0.06843%0.425CS..EExtended strand (participates in β ladder)trans-107.6113.2178.2-59.3-178.6000110.1A46 L49 G96 L123 M124 L133 V137A46-L98 HydrophobicContact CB-CB 3.85Å; A46-L98 HydrophobicContact CB-CD1 4.03Å; A46-L98 HydrophobicContact CB-CG 4.45Å; L49-L98 HydrophobicContact CD1-CD1 3.63Å; L49-L98 HydrophobicContact CD1-CG 3.91Å; G96-L98 VanDerWaalsContact C-N 3.26Å; G96-L98 PolarHBondContact O-N 2.88Å; L98-L123 HydrophobicContact CB-CD1 4.47Å; L98-L123 HydrophobicContact CD1-CD1 4.25Å; L98-L123 HydrophobicContact CD1-CD2 4.19Å; L98-L123 HydrophobicContact CD2-CD1 4.32Å; L98-L123 HydrophobicContact CD2-CD2 4.03Å; L98-L123 HydrophobicContact CD2-CG 4.12Å; L98-M124 CarbonylContact C-O 3.25Å; L98-L133 HydrophobicContact CD2-CD1 4.43Å; L98-L133 HydrophobicContact CD2-CD2 4.36Å; L98-V137 HydrophobicContact CD1-CG2 4.17Å
99C91.1Very high75.6Confident85 Ų8569 Ų6957%0.57440%0.404SS*.EExtended strand (participates in β ladder)trans-79.2-22.7-176-55.30000113.8M124 R126C99-M124 HydrophobicContact CB-CB 4.16Å; C99-M124 PolarHBondContact N-O 3.13Å; C99-R126 VanDerWaalsContact SG-CA 3.54Å; C99-R126 PolarHBondContact SG-N 3.14Å
100G93.3Very high78.4Confident31 Ų3159.7 Ų59.732%0.3238%0.377SS..EExtended strand (participates in β ladder)trans157.6171.9174.900000115.2M124G100-M124 PolarHBondContact N-O 2.92Å; G100-M124 WeakPolarHBondContact O-CB 3.38Å; G100-M124 PolarHBondContact O-N 3.24Å
101V96.9Very high81.7Confident43 Ų4348 Ų4826%0.26133%0.333SS..EExtended strand (participates in β ladder)trans-110132.7177.8-173.70000109.3E39 L42 L121 L123E39-V101 HydrophobicContact CG-CG1 4.02Å; L42-V101 HydrophobicContact CB-CG2 3.7Å; L42-V101 HydrophobicContact CD1-CG1 4.02Å; L42-V101 HydrophobicContact CD1-CG2 3.75Å; L42-V101 HydrophobicContact CG-CG2 4.37Å; V101-L121 HydrophobicContact CG1-CB 4.29Å; V101-L121 HydrophobicContact CG1-CD1 3.94Å; V101-L121 HydrophobicContact CG1-CG 4.49Å; V101-L123 HydrophobicContact CG2-CD1 3.87Å
102M97.6Very high84.3Confident71 Ų7139.9 Ų39.935%0.3530%0.295SS..EExtended strand (participates in β ladder)trans-125.7128.5179.7-57.9-15772.400111L121 V122 M124 L270M102-L121 WeakPolarHBondContact O-CA 3.24Å; M102-V122 PolarHBondContact N-O 2.89Å; M102-V122 PolarHBondContact O-N 2.87Å; M102-M124 HydrophobicContact CG-CG 4.33Å; M102-M124 HydrophobicContact SD-CG 4.45Å; M102-L270 HydrophobicContact CB-CD1 3.78Å; M102-L270 HydrophobicContact CE-CD1 3.78Å; M102-L270 HydrophobicContact CG-CD1 4.22Å; M102-L270 HydrophobicContact SD-CD1 3.51Å; M102-L270 VanDerWaalsContact SD-CD1 3.51Å; M102-L270 HydrophobicContact SD-CD2 3.83Å; M102-L270 HydrophobicContact SD-CG 4.29Å
103R97.8Very high87.3Confident75 Ų7535.1 Ų35.128%0.28326%0.261SS..EExtended strand (participates in β ladder)trans-66.8134.5169.4-56.9-178-176.5-157.1-4108.8V35 E39 A108 L121V35-R103 HydrophobicContact CG1-CG 4.3Å; E39-R103 WeakPolarHBondContact OE1-CD 3.44Å; E39-R103 WeakPolarHBondContact OE1-CG 3.47Å; E39-R103 IonicContact OE1-CZ 2.94Å; E39-R103 IonicContact OE1-NE 2.69Å; E39-R103 PolarHBondContact OE1-NE 3.08Å; E39-R103 IonicContact OE1-NH2 3.76Å; E39-R103 IonicContact OE2-CZ 3.11Å; E39-R103 IonicContact OE2-NE 2.7Å; E39-R103 PolarHBondContact OE2-NE 3.04Å; E39-R103 IonicContact OE2-NH2 3.62Å; E39-R103 PolarHBondContact OE2-NH2 3.26Å; R103-A108 HydrophobicContact CB-CB 3.95Å; R103-A108 WeakPolarHBondContact O-CB 3.48Å; R103-L121 HydrophobicContact CB-CD2 4.17Å; R103-L121 HydrophobicContact CG-CD2 3.82Å
104V97.7Very high90.1Very high3 Ų337.7 Ų37.72%0.01825%0.249CC..  trans-129.4-163.4172.3-59.80000111V107 A108 E120 V122 A269 L270 A273V104-V107 PolarHBondContact O-N 2.67Å; V104-A108 WeakPolarHBondContact O-CB 3.45Å; V104-A108 PolarHBondContact O-N 2.83Å; V104-A108 VanDerWaalsContact O-N 3.09Å; V104-E120 HydrophobicContact CG2-CB 3.65Å; V104-E120 PolarHBondContact N-O 2.89Å; V104-V122 HydrophobicContact CB-CG2 4.33Å; V104-V122 HydrophobicContact CG1-CB 4.24Å; V104-V122 HydrophobicContact CG1-CG2 3.59Å; V104-V122 HydrophobicContact CG2-CG2 3.8Å; V104-A269 HydrophobicContact CB-CB 4.39Å; V104-A269 HydrophobicContact CG2-CB 4.41Å; V104-L270 HydrophobicContact CG1-CB 4.25Å; V104-L270 HydrophobicContact CG1-CD1 4.1Å; V104-A273 HydrophobicContact CG1-CB 4.49Å
105G96Very high92.6Very high10 Ų1036.7 Ų36.710%0.10324%0.239CC..Hα-helixtrans53.9-142.317200000114.5V107 K109G105-V107 VanDerWaalsContact C-N 3.29Å; G105-V107 PolarHBondContact O-N 3.25Å; G105-K109 WeakPolarHBondContact O-CB 3.4Å; G105-K109 WeakPolarHBondContact O-CD 3.45Å; G105-K109 WeakPolarHBondContact O-CG 3.37Å; G105-K109 PolarHBondContact O-N 2.81Å
106L97Very high94.4Very high35 Ų3535.1 Ų35.118%0.18322%0.216CC..Hα-helixtrans-66.9-27.6-176.2-60176000113.7G110 L111 L112L106-G110 PolarHBondContact O-N 3.44Å; L106-L111 HydrophobicContact CD2-CB 3.96Å; L106-L111 PolarHBondContact O-N 2.84Å; L106-L112 HydrophobicContact CB-CD2 3.76Å; L106-L112 HydrophobicContact CB-CG 4.24Å; L106-L112 HydrophobicContact CD1-CD2 4.38Å
107V96.2Very high95.3Very high22 Ų2237.1 Ų37.113%0.13322%0.222CC..Hα-helixtrans-70.8-55.1-178.6-178.90000110.1V104 G105 K109 G110 L112 L119V104-V107 PolarHBondContact O-N 2.67Å; G105-V107 VanDerWaalsContact C-N 3.29Å; G105-V107 PolarHBondContact O-N 3.25Å; V107-K109 VanDerWaalsContact C-N 3.29Å; V107-K109 PolarHBondContact O-N 2.8Å; V107-G110 PolarHBondContact O-N 3.48Å; V107-G110 VanDerWaalsContact O-N 3.1Å; V107-L112 HydrophobicContact CG2-CD1 4.5Å; V107-L119 HydrophobicContact CG2-CB 4.15Å; V107-L119 HydrophobicContact CG2-CD2 3.71Å; V107-L119 HydrophobicContact CG2-CG 4.46Å
108A96.6Very high95.7Very high15 Ų1539.9 Ų39.912%0.12424%0.236CC..Hα-helixtrans-66.2-30.8-176.900000114R103 V104 G110 A273 Q277R103-A108 HydrophobicContact CB-CB 3.95Å; R103-A108 WeakPolarHBondContact O-CB 3.48Å; V104-A108 WeakPolarHBondContact O-CB 3.45Å; V104-A108 PolarHBondContact O-N 2.83Å; V104-A108 VanDerWaalsContact O-N 3.09Å; A108-G110 VanDerWaalsContact C-N 3.32Å; A108-A273 HydrophobicContact CB-CB 4.1Å; A108-Q277 PolarHBondContact O-NE2 3.4Å
109K97.3Very high96Very high13 Ų1339.5 Ų39.56%0.05723%0.233CC..THydrogen-bonded Turntrans-84.7-7.8177.9-59.2177.6-171.1-172.10112.5G105 V107 L111 F276 E312G105-K109 WeakPolarHBondContact O-CB 3.4Å; G105-K109 WeakPolarHBondContact O-CD 3.45Å; G105-K109 WeakPolarHBondContact O-CG 3.37Å; G105-K109 PolarHBondContact O-N 2.81Å; V107-K109 VanDerWaalsContact C-N 3.29Å; V107-K109 PolarHBondContact O-N 2.8Å; K109-L111 HydrophobicContact CB-CB 4.35Å; K109-L111 HydrophobicContact CB-CD1 3.88Å; K109-L111 HydrophobicContact CB-CG 3.83Å; K109-L111 HydrophobicContact CD-CD1 4.15Å; K109-L111 PolarHBondContact O-N 3.34Å; K109-F276 HydrophobicContact CB-CD1 3.69Å; K109-F276 HydrophobicContact CB-CD2 4.28Å; K109-F276 HydrophobicContact CB-CE1 3.71Å; K109-F276 HydrophobicContact CB-CE2 4.28Å; K109-F276 HydrophobicContact CB-CG 3.98Å; K109-F276 HydrophobicContact CB-CZ 4Å; K109-F276 HydrophobicContact CD-CB 4.28Å; K109-F276 HydrophobicContact CD-CD2 3.89Å; K109-F276 HydrophobicContact CD-CE2 4.33Å; K109-F276 HydrophobicContact CD-CG 4Å; K109-F276 HydrophobicContact CG-CB 3.96Å; K109-F276 HydrophobicContact CG-CD1 3.84Å; K109-F276 HydrophobicContact CG-CD2 4.06Å; K109-F276 HydrophobicContact CG-CE1 4.35Å; K109-F276 HydrophobicContact CG-CG 3.68Å; K109-F276 WeakPolarHBondContact O-CE1 3.39Å; K109-E312 WeakPolarHBondContact CD-OE1 3.39Å; K109-E312 WeakPolarHBondContact CD-OE2 3.32Å; K109-E312 WeakPolarHBondContact CE-OE2 3.13Å; K109-E312 IonicContact NZ-OE1 2.69Å; K109-E312 PolarHBondContact NZ-OE1 3.36Å; K109-E312 IonicContact NZ-OE2 3.24Å; K109-E312 PolarHBondContact NZ-OE2 2.75Å
110G96.1Very high96.3Very high31 Ų3138.9 Ų38.932%0.3222%0.222SC..THydrogen-bonded Turntrans57.339.2-174.800000112.3L106 V107 A108 R291L106-G110 PolarHBondContact O-N 3.44Å; V107-G110 PolarHBondContact O-N 3.48Å; V107-G110 VanDerWaalsContact O-N 3.1Å; A108-G110 VanDerWaalsContact C-N 3.32Å; G110-R291 PolarHBondContact O-NH2 2.9Å
111L97.6Very high96.5Very high3 Ų337.4 Ų37.42%0.01621%0.207CC..  trans-102.11.3-174.8-76.1-178.4000114.4L106 K109 F276 V287 L290 R291 R294 E312L106-L111 HydrophobicContact CD2-CB 3.96Å; L106-L111 PolarHBondContact O-N 2.84Å; K109-L111 HydrophobicContact CB-CB 4.35Å; K109-L111 HydrophobicContact CB-CD1 3.88Å; K109-L111 HydrophobicContact CB-CG 3.83Å; K109-L111 HydrophobicContact CD-CD1 4.15Å; K109-L111 PolarHBondContact O-N 3.34Å; L111-F276 HydrophobicContact CD1-CE2 3.78Å; L111-F276 HydrophobicContact CD1-CZ 3.83Å; L111-F276 HydrophobicContact CD2-CZ 3.99Å; L111-F276 HydrophobicContact CG-CE2 4.36Å; L111-F276 HydrophobicContact CG-CZ 3.89Å; L111-V287 HydrophobicContact CD2-CG1 4.09Å; L111-L290 HydrophobicContact CD2-CB 3.55Å; L111-L290 HydrophobicContact CD2-CD1 4.05Å; L111-L290 HydrophobicContact CD2-CG 4.44Å; L111-R291 HydrophobicContact CD2-CG 4.43Å; L111-R294 PolarHBondContact O-NH1 2.81Å; L111-E312 HydrophobicContact CD1-CG 4.19Å
112L97.4Very high96.6Very high14 Ų1435.4 Ų35.47%0.07320%0.195CC..  trans-50.7138.6177.6-65.9168.3000112.5P23 V31 L106 V107 D116 L119 R291P23-L112 WeakPolarHBondContact CD-O 3.24Å; P23-L112 HydrophobicContact CG-CB 3.94Å; V31-L112 HydrophobicContact CG1-CD1 3.96Å; L106-L112 HydrophobicContact CB-CD2 3.76Å; L106-L112 HydrophobicContact CB-CG 4.24Å; L106-L112 HydrophobicContact CD1-CD2 4.38Å; V107-L112 HydrophobicContact CG2-CD1 4.5Å; L112-D116 VanDerWaalsContact CA-OD2 3.27Å; L112-D116 WeakPolarHBondContact CA-OD2 3.48Å; L112-D116 HydrophobicContact CD2-CB 3.79Å; L112-L119 HydrophobicContact CD2-CD2 4.01Å; L112-R291 PolarHBondContact O-NE 3.2Å
113I97.4Very high96.6Very high9 Ų932.1 Ų32.15%0.04618%0.179CC..  trans-126.1164.4171.168.5-179.6000109.2I21 G115 D116 R291 R294 D295I21-I113 HydrophobicContact CD1-CG2 4.37Å; I21-I113 CarbonylContact O-C 3.31Å; I21-I113 VanDerWaalsContact O-CA 3.28Å; I21-I113 WeakPolarHBondContact O-CA 3.2Å; I21-I113 WeakPolarHBondContact O-CB 3.38Å; I113-G115 PolarHBondContact O-N 3.13Å; I113-D116 PolarHBondContact N-OD2 3.21Å; I113-D116 WeakPolarHBondContact O-CB 3.38Å; I113-D116 PolarHBondContact O-N 3.08Å; I113-D116 VanDerWaalsContact O-N 3.16Å; I113-R291 HydrophobicContact CG2-CB 3.88Å; I113-R291 HydrophobicContact CG2-CG 3.87Å; I113-R294 HydrophobicContact CD1-CB 4.41Å; I113-D295 HydrophobicContact CD1-CB 4.4Å
114K95.4Very high96.6Very high136 Ų13629.6 Ų29.659%0.59117%0.17SC*.THydrogen-bonded Turntrans-59.2133.2-176.2-175.5177.9-179.3177.80111.5I21 E27I21-K114 PolarHBondContact O-N 3.08Å; E27-K114 WeakPolarHBondContact OE1-CG 3.32Å
115G92.8Very high96.5Very high46 Ų4629.5 Ų29.547%0.47417%0.17SC..THydrogen-bonded Turntrans82.76-176.500000115.1E27 I113 M117E27-G115 PolarHBondContact OE1-N 3.34Å; I113-G115 PolarHBondContact O-N 3.13Å; G115-M117 PolarHBondContact O-N 3.09Å
116D95.4Very high96.3Very high26 Ų2634.9 Ų34.914%0.13919%0.187CC..  trans-69.7110.4165.5-71.5-14.9000109.4L112 I113 R294L112-D116 VanDerWaalsContact CA-OD2 3.27Å; L112-D116 WeakPolarHBondContact CA-OD2 3.48Å; L112-D116 HydrophobicContact CD2-CB 3.79Å; I113-D116 PolarHBondContact N-OD2 3.21Å; I113-D116 WeakPolarHBondContact O-CB 3.38Å; I113-D116 PolarHBondContact O-N 3.08Å; I113-D116 VanDerWaalsContact O-N 3.16Å; D116-R294 IonicContact OD1-CZ 3.66Å; D116-R294 IonicContact OD1-NH1 3.56Å; D116-R294 IonicContact OD1-NH2 2.72Å; D116-R294 PolarHBondContact OD1-NH2 2.88Å; D116-R294 IonicContact OD2-CZ 2.73Å; D116-R294 IonicContact OD2-NH1 2.7Å; D116-R294 PolarHBondContact OD2-NH1 2.7Å; D116-R294 IonicContact OD2-NH2 3.7Å; D116-R294 PolarHBondContact OD2-NH2 3.5Å
117M93.3Very high96.1Very high58 Ų5837 Ų3729%0.28620%0.199SC..  trans-101-24.9178.6-48.3-59.5-72.500112.1G115 P172 K173 L174 K175G115-M117 PolarHBondContact O-N 3.09Å; M117-P172 HydrophobicContact CE-CB 3.65Å; M117-K173 HydrophobicContact CE-CB 4.41Å; M117-K173 VanDerWaalsContact CE-O 3.23Å; M117-K173 WeakPolarHBondContact CE-O 3.38Å; M117-L174 CarbonylContact O-C 3.57Å; M117-L174 WeakPolarHBondContact O-CA 3.17Å; M117-K175 PolarHBondContact O-N 2.84Å
118D94.9Very high96.1Very high99 Ų9939.8 Ų39.853%0.52921%0.209SC..EExtended strand (participates in β ladder)trans-93.6130.5-174.7-49.3-68.9000111.1K175D118-K175 CarbonylContact C-O 3.5Å; D118-K175 WeakPolarHBondContact CA-O 3.46Å; D118-K175 WeakPolarHBondContact OD1-CD 3.49Å
119L97.4Very high96Very high4 Ų439 Ų392%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-133151.3-172.9-51.4173.4000109.4V31 L34 V35 V107 L112 L174 K175 L176 K177V31-L119 HydrophobicContact CB-CD1 4.48Å; V31-L119 HydrophobicContact CG1-CD1 4.09Å; V31-L119 HydrophobicContact CG1-CD2 4.01Å; V31-L119 HydrophobicContact CG2-CD1 4.13Å; V31-L119 HydrophobicContact CG2-CD2 4.04Å; L34-L119 HydrophobicContact CD2-CD1 3.77Å; V35-L119 HydrophobicContact CG2-CD1 4.29Å; V107-L119 HydrophobicContact CG2-CB 4.15Å; V107-L119 HydrophobicContact CG2-CD2 3.71Å; V107-L119 HydrophobicContact CG2-CG 4.46Å; L112-L119 HydrophobicContact CD2-CD2 4.01Å; L119-L174 HydrophobicContact CD1-CB 4.36Å; L119-L174 HydrophobicContact CD1-CD1 4.38Å; L119-K175 PolarHBondContact N-O 3.32Å; L119-L176 HydrophobicContact CB-CD1 3.49Å; L119-L176 VanDerWaalsContact CB-CD1 3.49Å; L119-L176 HydrophobicContact CD1-CD1 4.28Å; L119-L176 WeakPolarHBondContact O-CA 3.31Å; L119-K177 PolarHBondContact O-N 3.4Å
120E97.6Very high95.9Very high73 Ų7339.8 Ų39.834%0.34121%0.208SC..EExtended strand (participates in β ladder)trans-133.1132.3-172.1-64.7161.5-123.500112.6V104 K177V104-E120 HydrophobicContact CG2-CB 3.65Å; V104-E120 PolarHBondContact N-O 2.89Å; E120-K177 CarbonylContact C-O 3.42Å; E120-K177 WeakPolarHBondContact CA-O 3.39Å
121L98.4Very high95.8Very high0 Ų042.4 Ų42.40%021%0.212CC..EExtended strand (participates in β ladder)trans-123.6154.6166.1-59.8-179.9000109.9V35 V38 E39 V101 M102 R103 L176 K177 I178 T179V35-L121 HydrophobicContact CG1-CD2 4.17Å; V38-L121 HydrophobicContact CG1-CD1 4.32Å; E39-L121 HydrophobicContact CG-CD1 4.3Å; V101-L121 HydrophobicContact CG1-CB 4.29Å; V101-L121 HydrophobicContact CG1-CD1 3.94Å; V101-L121 HydrophobicContact CG1-CG 4.49Å; M102-L121 WeakPolarHBondContact O-CA 3.24Å; R103-L121 HydrophobicContact CB-CD2 4.17Å; R103-L121 HydrophobicContact CG-CD2 3.82Å; L121-L176 HydrophobicContact CD1-CD1 4.2Å; L121-L176 HydrophobicContact CD1-CD2 3.9Å; L121-L176 HydrophobicContact CD1-CG 4.29Å; L121-L176 HydrophobicContact CG-CD1 3.9Å; L121-L176 HydrophobicContact CG-CD2 4.49Å; L121-L176 HydrophobicContact CG-CG 4.38Å; L121-K177 PolarHBondContact N-O 2.85Å; L121-I178 HydrophobicContact CB-CG1 4.41Å; L121-I178 HydrophobicContact CB-CG2 4.48Å; L121-I178 HydrophobicContact CD1-CG1 4.43Å; L121-I178 WeakPolarHBondContact O-CA 3.46Å; L121-T179 PolarHBondContact O-N 2.8Å
122V98.4Very high95.6Very high1 Ų145.8 Ų45.81%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-113128.3166.7176.80000108.4M102 V104 M124 T179 T181 A266M102-V122 PolarHBondContact N-O 2.89Å; M102-V122 PolarHBondContact O-N 2.87Å; V104-V122 HydrophobicContact CB-CG2 4.33Å; V104-V122 HydrophobicContact CG1-CB 4.24Å; V104-V122 HydrophobicContact CG1-CG2 3.59Å; V104-V122 HydrophobicContact CG2-CG2 3.8Å; V122-M124 HydrophobicContact CG1-SD 3.78Å; V122-T179 WeakPolarHBondContact CA-O 3.47Å; V122-T181 HydrophobicContact CG1-CG2 3.46Å; V122-T181 VanDerWaalsContact CG1-CG2 3.46Å; V122-A266 HydrophobicContact CG1-CB 4.37Å; V122-A266 HydrophobicContact CG2-CB 4.03Å
123L97.9Very high95.5Very high2 Ų246.2 Ų46.21%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-98.7111.3171.1178.862.2000108.2L42 L98 V101 V137 I178 T179 L180 T181L42-L123 HydrophobicContact CD2-CD2 4.23Å; L98-L123 HydrophobicContact CB-CD1 4.47Å; L98-L123 HydrophobicContact CD1-CD1 4.25Å; L98-L123 HydrophobicContact CD1-CD2 4.19Å; L98-L123 HydrophobicContact CD2-CD1 4.32Å; L98-L123 HydrophobicContact CD2-CD2 4.03Å; L98-L123 HydrophobicContact CD2-CG 4.12Å; V101-L123 HydrophobicContact CG2-CD1 3.87Å; L123-V137 HydrophobicContact CD2-CG1 4.16Å; L123-I178 HydrophobicContact CB-CG2 3.84Å; L123-T179 PolarHBondContact N-O 3.08Å; L123-L180 HydrophobicContact CB-CD1 4.25Å; L123-L180 HydrophobicContact CB-CG 4.29Å; L123-L180 HydrophobicContact CD2-CD1 4.01Å; L123-L180 HydrophobicContact CD2-CD2 4.49Å; L123-L180 HydrophobicContact CD2-CG 4Å; L123-L180 HydrophobicContact CG-CG 4.42Å; L123-T181 PolarHBondContact O-N 2.82Å; L123-T181 VanDerWaalsContact O-N 3.12Å
124M97.2Very high95.4Very high22 Ų2245.8 Ų45.811%0.10823%0.233CC..EExtended strand (participates in β ladder)trans-80.2121.3179.1-61.6-60.7-54.400109.6L98 C99 G100 M102 V122 T181 P183 L267 L270L98-M124 CarbonylContact C-O 3.25Å; C99-M124 HydrophobicContact CB-CB 4.16Å; C99-M124 PolarHBondContact N-O 3.13Å; G100-M124 PolarHBondContact N-O 2.92Å; G100-M124 WeakPolarHBondContact O-CB 3.38Å; G100-M124 PolarHBondContact O-N 3.24Å; M102-M124 HydrophobicContact CG-CG 4.33Å; M102-M124 HydrophobicContact SD-CG 4.45Å; V122-M124 HydrophobicContact CG1-SD 3.78Å; M124-T181 CarbonylContact C-O 3.55Å; M124-T181 WeakPolarHBondContact CA-O 3.47Å; M124-T181 HydrophobicContact CE-CG2 4.37Å; M124-T181 HydrophobicContact SD-CG2 3.87Å; M124-P183 HydrophobicContact CE-CG 3.89Å; M124-L267 HydrophobicContact CE-CD2 4.11Å; M124-L270 HydrophobicContact SD-CD2 3.82Å
125C95.6Very high95.4Very high1 Ų141.3 Ų41.31%0.00722%0.216CC..EExtended strand (participates in β ladder)trans-99.1154.2170.9-54.50000109.1D127 P129 L133 T181 S182C125-D127 WeakPolarHBondContact CB-O 3.37Å; C125-P129 HydrophobicContact CB-CB 4.4Å; C125-L133 HydrophobicContact CB-CD2 4.32Å; C125-T181 PolarHBondContact N-O 2.92Å; C125-S182 WeakPolarHBondContact O-CA 3.47Å; C125-S182 WeakPolarHBondContact O-CB 3.46Å
126R92.8Very high95.5Very high122 Ų12241.8 Ų41.846%0.4621%0.21SC..SBendtrans-70.9-59173.4-171.9-173.368.6-152.9-2.1109.8G95 T97 C99 S182G95-R126 PolarHBondContact O-NH1 2.91Å; T97-R126 PolarHBondContact O-N 2.79Å; C99-R126 VanDerWaalsContact SG-CA 3.54Å; C99-R126 PolarHBondContact SG-N 3.14Å; R126-S182 PolarHBondContact O-OG 3.23Å
127D93Very high95.5Very high81 Ų8140.5 Ų40.543%0.43320%0.203SC..SBendtrans-94.6166.6-177.6-41.7-42.9000109.7C125 S182C125-D127 WeakPolarHBondContact CB-O 3.37Å; D127-S182 WeakPolarHBondContact O-CB 3.35Å
128K94.6Very high95.7Very high79 Ų7938.3 Ų38.334%0.34319%0.193SC..PPolyproline II helixtrans-54.4123.8-179.8-61.4-172.5-171.6179.70109.7T130 A184 M185 D188 V257K128-T130 PolarHBondContact O-N 2.87Å; K128-A184 HydrophobicContact CG-CB 4.11Å; K128-M185 HydrophobicContact CB-SD 3.62Å; K128-M185 HydrophobicContact CD-SD 3.97Å; K128-M185 HydrophobicContact CG-SD 3.62Å; K128-D188 WeakPolarHBondContact CE-OD1 3.33Å; K128-D188 VanDerWaalsContact CE-OD2 3.32Å; K128-D188 WeakPolarHBondContact CE-OD2 3.38Å; K128-D188 IonicContact NZ-OD1 2.7Å; K128-D188 PolarHBondContact NZ-OD1 3.43Å; K128-D188 IonicContact NZ-OD2 3.58Å; K128-D188 PolarHBondContact NZ-OD2 3.04Å; K128-V257 HydrophobicContact CB-CG1 4Å
129P94.8Very high95.7Very high0 Ų040.6 Ų40.60%020%0.2CC..PPolyproline II helixtrans-70.3135.7-172.229.5-36.1000110.8C125 L133 L180 L258C125-P129 HydrophobicContact CB-CB 4.4Å; P129-L133 HydrophobicContact CB-CD2 4.42Å; P129-L180 HydrophobicContact CB-CB 3.98Å; P129-L180 HydrophobicContact CB-CD2 4.41Å; P129-L180 HydrophobicContact CG-CB 4.33Å; P129-L258 HydrophobicContact CB-CD1 3.91Å; P129-L258 HydrophobicContact CB-CG 4.44Å; P129-L258 HydrophobicContact CG-CB 4.44Å; P129-L258 HydrophobicContact CG-CD1 4.13Å; P129-L258 WeakPolarHBondContact O-CG 3.3Å; P129-L258 PolarHBondContact O-N 2.82Å
130T95.1Very high95.6Very high28 Ų2841.4 Ų41.417%0.17220%0.204CC..BIsolated β-bridgetrans-103.9164.9-179.762.30000113K128 T132 L133 L134 E256K128-T130 PolarHBondContact O-N 2.87Å; T130-T132 VanDerWaalsContact C-N 3.28Å; T130-T132 PolarHBondContact O-N 3.49Å; T130-T132 PolarHBondContact OG1-OG1 3.32Å; T130-L133 PolarHBondContact O-N 2.94Å; T130-L133 PolarHBondContact OG1-N 2.84Å; T130-L134 PolarHBondContact O-N 2.68Å; T130-E256 CarbonylContact C-O 3.45Å; T130-E256 WeakPolarHBondContact CA-O 3.18Å; T130-E256 VanDerWaalsContact CB-O 3.23Å; T130-E256 WeakPolarHBondContact CB-O 3.21Å; T130-E256 VanDerWaalsContact CB-OE1 3.31Å; T130-E256 WeakPolarHBondContact CB-OE1 3.28Å; T130-E256 HydrophobicContact CG2-CB 4.2Å; T130-E256 HydrophobicContact CG2-CG 4.25Å; T130-E256 PolarHBondContact OG1-OE1 2.84Å
131Q94.6Very high95.6Very high86 Ų8637.9 Ų37.940%0.40219%0.188SC..Hα-helixtrans-56.1-42.6168.3166.8161.2200111.7L133 L134 D135 L159 E256 L258Q131-L133 VanDerWaalsContact C-N 3.33Å; Q131-L133 PolarHBondContact O-N 3.19Å; Q131-L134 WeakPolarHBondContact O-CB 3.37Å; Q131-L134 PolarHBondContact O-N 2.82Å; Q131-D135 PolarHBondContact O-N 2.92Å; Q131-L159 HydrophobicContact CB-CD2 3.94Å; Q131-L159 HydrophobicContact CG-CD2 3.59Å; Q131-E256 PolarHBondContact N-O 3.49Å; Q131-L258 HydrophobicContact CB-CD2 4.49Å
132T93.8Very high95.4Very high75 Ų7540.4 Ų40.446%0.4621%0.205SC..Hα-helixtrans-64.7-37.2-179.762.30000111.9T130 T136 E256T130-T132 VanDerWaalsContact C-N 3.28Å; T130-T132 PolarHBondContact O-N 3.49Å; T130-T132 PolarHBondContact OG1-OG1 3.32Å; T132-T136 WeakPolarHBondContact O-CB 3.35Å; T132-T136 PolarHBondContact O-N 3.48Å; T132-T136 PolarHBondContact O-OG1 3.27Å; T132-E256 WeakPolarHBondContact CB-OE1 3.42Å; T132-E256 HydrophobicContact CG2-CG 4.35Å; T132-E256 WeakPolarHBondContact CG2-OE1 3.05Å; T132-E256 PolarHBondContact OG1-OE1 3.15Å
133L94.6Very high95.3Very high22 Ų2244 Ų4412%0.11523%0.227CC..Hα-helixtrans-65.6-45.5173-178.261.6000111.5L49 T97 L98 C125 P129 T130 Q131 D135 T136 V137 L180L49-L133 HydrophobicContact CD1-CD1 4.17Å; T97-L133 HydrophobicContact CG2-CD1 4.09Å; T97-L133 HydrophobicContact CG2-CD2 4.27Å; L98-L133 HydrophobicContact CD2-CD1 4.43Å; L98-L133 HydrophobicContact CD2-CD2 4.36Å; C125-L133 HydrophobicContact CB-CD2 4.32Å; P129-L133 HydrophobicContact CB-CD2 4.42Å; T130-L133 PolarHBondContact O-N 2.94Å; T130-L133 PolarHBondContact OG1-N 2.84Å; Q131-L133 VanDerWaalsContact C-N 3.33Å; Q131-L133 PolarHBondContact O-N 3.19Å; L133-D135 PolarHBondContact O-N 2.67Å; L133-T136 PolarHBondContact O-N 2.94Å; L133-V137 HydrophobicContact CD1-CG2 4.11Å; L133-V137 WeakPolarHBondContact O-CG2 3.49Å; L133-V137 PolarHBondContact O-N 3Å; L133-L180 HydrophobicContact CG-CD2 4.41Å
134L95.7Very high95.1Very high0 Ų044.3 Ų44.30%023%0.228CC..Hα-helixtrans-56.6-51.1177.5-17574.3000111.5T130 Q131 V137 C138 L159 I164 L180 L258T130-L134 PolarHBondContact O-N 2.68Å; Q131-L134 WeakPolarHBondContact O-CB 3.37Å; Q131-L134 PolarHBondContact O-N 2.82Å; L134-V137 PolarHBondContact O-N 2.87Å; L134-C138 VanDerWaalsContact O-CB 3.26Å; L134-C138 WeakPolarHBondContact O-CB 3.35Å; L134-C138 PolarHBondContact O-N 2.91Å; L134-L159 HydrophobicContact CD2-CD2 3.67Å; L134-L159 HydrophobicContact CD2-CG 4.4Å; L134-I164 HydrophobicContact CD1-CD1 4.26Å; L134-I164 HydrophobicContact CD1-CG1 3.6Å; L134-I164 HydrophobicContact CG-CG1 4.38Å; L134-L180 HydrophobicContact CB-CD2 4.26Å; L134-L180 HydrophobicContact CD1-CD1 3.64Å; L134-L180 HydrophobicContact CD1-CD2 3.81Å; L134-L180 HydrophobicContact CD1-CG 4.24Å; L134-L258 HydrophobicContact CB-CD1 4.29Å; L134-L258 HydrophobicContact CB-CD2 4.33Å; L134-L258 HydrophobicContact CD1-CD1 4.39Å; L134-L258 HydrophobicContact CD2-CD2 4.11Å
135D94.8Very high95Very high43 Ų4343.5 Ų43.523%0.2322%0.224CC..Hα-helixtrans-68.6-37-179.3-76.5-29.5000111.4Q131 L133 C138 H139 S157Q131-D135 PolarHBondContact O-N 2.92Å; L133-D135 PolarHBondContact O-N 2.67Å; D135-C138 PolarHBondContact O-N 3.12Å; D135-H139 PolarHBondContact O-N 3.29Å; D135-H139 PolarHBondContact O-ND1 3.39Å; D135-S157 WeakPolarHBondContact OD1-CB 3.46Å; D135-S157 PolarHBondContact OD1-OG 3.22Å
136T94.9Very high95Very high55 Ų5551 Ų5134%0.33726%0.259SS..Hα-helixtrans-61.6-47.6175.6-62.90000111.7W48 L49 T132 L133 C138 H139 N140W48-T136 HydrophobicContact CH2-CG2 4.31Å; W48-T136 HydrophobicContact CZ3-CG2 3.92Å; L49-T136 HydrophobicContact CD2-CG2 3.93Å; T132-T136 WeakPolarHBondContact O-CB 3.35Å; T132-T136 PolarHBondContact O-N 3.48Å; T132-T136 PolarHBondContact O-OG1 3.27Å; L133-T136 PolarHBondContact O-N 2.94Å; T136-C138 VanDerWaalsContact C-N 3.34Å; T136-H139 PolarHBondContact O-N 3.14Å; T136-N140 WeakPolarHBondContact O-CB 3.3Å; T136-N140 PolarHBondContact O-N 2.79Å; T136-N140 VanDerWaalsContact O-N 3.07Å
137V96.2Very high95.1Very high0 Ų051.6 Ų51.60%027%0.265CS..Hα-helixtrans-63.8-42.1175.8175.50000110.2L42 V45 L49 L98 L123 L133 L134 H139 N140 L141 I164L42-V137 HydrophobicContact CD2-CG1 3.94Å; V45-V137 HydrophobicContact CG1-CB 4.4Å; V45-V137 HydrophobicContact CG1-CG1 4.2Å; V45-V137 HydrophobicContact CG1-CG2 4.1Å; L49-V137 HydrophobicContact CD1-CG2 4.23Å; L98-V137 HydrophobicContact CD1-CG2 4.17Å; L123-V137 HydrophobicContact CD2-CG1 4.16Å; L133-V137 HydrophobicContact CD1-CG2 4.11Å; L133-V137 WeakPolarHBondContact O-CG2 3.49Å; L133-V137 PolarHBondContact O-N 3Å; L134-V137 PolarHBondContact O-N 2.87Å; V137-H139 PolarHBondContact O-N 3.45Å; V137-N140 PolarHBondContact O-N 3.02Å; V137-L141 WeakPolarHBondContact O-CB 3.48Å; V137-L141 PolarHBondContact O-N 2.98Å; V137-I164 HydrophobicContact CB-CD1 3.83Å; V137-I164 HydrophobicContact CG1-CD1 3.43Å; V137-I164 VanDerWaalsContact CG1-CD1 3.43Å
138C96.6Very high95.1Very high11 Ų1151.2 Ų51.27%0.07426%0.262CS..Hα-helixtrans-63-38.9179.1-172.90000113.3L134 D135 T136 P142 S156 S157 I164L134-C138 VanDerWaalsContact O-CB 3.26Å; L134-C138 WeakPolarHBondContact O-CB 3.35Å; L134-C138 PolarHBondContact O-N 2.91Å; D135-C138 PolarHBondContact O-N 3.12Å; T136-C138 VanDerWaalsContact C-N 3.34Å; C138-P142 WeakPolarHBondContact O-CD 3.38Å; C138-S156 VanDerWaalsContact SG-C 3.55Å; C138-S157 PolarHBondContact SG-N 2.81Å; C138-I164 HydrophobicContact CB-CD1 4.12Å; C138-I164 HydrophobicContact CB-CG1 4.3Å; C138-I164 HydrophobicContact CB-CG2 4.46Å
139H95.6Very high95Very high147 Ų14749 Ų4968%0.68126%0.255SS*.Hα-helixtrans-74.3-33.7177-74.886.8000112.5D135 T136 V137D135-H139 PolarHBondContact O-N 3.29Å; D135-H139 PolarHBondContact O-ND1 3.39Å; T136-H139 PolarHBondContact O-N 3.14Å; V137-H139 PolarHBondContact O-N 3.45Å
140N95.4Very high94.8Very high21 Ų2158.5 Ų58.511%0.11230%0.3CS..Hα-helixtrans-78.8-38.4-178.7-158.3-80.9000112.5V45 W48 T136 V137 T143 Q144V45-N140 HydrophobicContact CG1-CB 4.15Å; V45-N140 HydrophobicContact CG2-CB 4.21Å; W48-N140 VanDerWaalsContact CD2-ND2 3.27Å; W48-N140 HydrophobicContact CE3-CB 4.46Å; W48-N140 HydrophobicContact CZ3-CB 4.39Å; W48-N140 WeakPolarHBondContact CZ3-ND2 3.33Å; T136-N140 WeakPolarHBondContact O-CB 3.3Å; T136-N140 PolarHBondContact O-N 2.79Å; T136-N140 VanDerWaalsContact O-N 3.07Å; V137-N140 PolarHBondContact O-N 3.02Å; N140-T143 VanDerWaalsContact O-CB 3.3Å; N140-T143 WeakPolarHBondContact O-CB 3.38Å; N140-T143 PolarHBondContact O-N 2.76Å; N140-Q144 PolarHBondContact O-N 2.82Å; N140-Q144 WeakPolarHBondContact OD1-CG 3.5Å; N140-Q144 PolarHBondContact OD1-NE2 2.86Å
141L96.6Very high94.4Very high0 Ų062 Ų620%031%0.314CS..Hα-helixtrans-53.3-46.2-172.9179.162.7000114.7A41 L42 V45 V137 T143 Q144 I145 V155 I164 V166 I178A41-L141 HydrophobicContact CB-CD1 3.64Å; L42-L141 HydrophobicContact CD2-CD1 4.03Å; L42-L141 HydrophobicContact CD2-CD2 4.29Å; L42-L141 HydrophobicContact CG-CD1 4.06Å; V45-L141 HydrophobicContact CG2-CB 4.31Å; V45-L141 HydrophobicContact CG2-CD1 4.38Å; V137-L141 WeakPolarHBondContact O-CB 3.48Å; V137-L141 PolarHBondContact O-N 2.98Å; L141-T143 VanDerWaalsContact C-N 3.25Å; L141-T143 PolarHBondContact O-N 2.93Å; L141-Q144 PolarHBondContact O-N 3.3Å; L141-Q144 VanDerWaalsContact O-N 3.12Å; L141-I145 HydrophobicContact CD1-CD1 4.02Å; L141-I145 HydrophobicContact CD1-CG1 4.1Å; L141-I145 HydrophobicContact CG-CD1 3.86Å; L141-I145 HydrophobicContact CG-CG1 4.37Å; L141-I145 WeakPolarHBondContact O-CG1 3.28Å; L141-I145 PolarHBondContact O-N 3.42Å; L141-V155 HydrophobicContact CD2-CG1 4.25Å; L141-I164 HydrophobicContact CD2-CG2 4.25Å; L141-V166 HydrophobicContact CD2-CG2 3.87Å; L141-I178 HydrophobicContact CD2-CD1 3.96Å
142P96Very high94.2Very high53 Ų5365.6 Ų65.634%0.34433%0.329SS..Hα-helixtrans-56.9-37.9175.5-25.433.8000113.4C138 Q144 I145 Q146 V155C138-P142 WeakPolarHBondContact O-CD 3.38Å; P142-Q144 VanDerWaalsContact C-N 3.32Å; P142-Q144 PolarHBondContact O-N 3.46Å; P142-I145 PolarHBondContact O-N 3.06Å; P142-Q146 WeakPolarHBondContact O-CB 3.24Å; P142-Q146 PolarHBondContact O-N 2.7Å; P142-V155 HydrophobicContact CG-CB 3.89Å; P142-V155 HydrophobicContact CG-CG1 4.25Å; P142-V155 HydrophobicContact CG-CG2 3.94Å
143T94.7Very high94.2Very high76 Ų7663.6 Ų63.647%0.46631%0.313SS..Hα-helixtrans-67.6-33.8179.8-55.20000111.6N140 L141 K147N140-T143 VanDerWaalsContact O-CB 3.3Å; N140-T143 WeakPolarHBondContact O-CB 3.38Å; N140-T143 PolarHBondContact O-N 2.76Å; L141-T143 VanDerWaalsContact C-N 3.25Å; L141-T143 PolarHBondContact O-N 2.93Å; T143-K147 WeakPolarHBondContact O-CG 3.46Å
144Q95.4Very high94.2Very high8 Ų867.6 Ų67.64%0.03733%0.331CS..Hα-helixtrans-78.6-39.3175.9-51.7-61.2-2.200111.8A41 Q44 V45 N140 L141 P142 Q146 K147A41-Q144 HydrophobicContact CB-CB 4.04Å; Q44-Q144 HydrophobicContact CB-CB 4.07Å; Q44-Q144 HydrophobicContact CB-CG 3.98Å; V45-Q144 HydrophobicContact CG2-CB 4.47Å; V45-Q144 HydrophobicContact CG2-CG 3.71Å; N140-Q144 PolarHBondContact O-N 2.82Å; N140-Q144 WeakPolarHBondContact OD1-CG 3.5Å; N140-Q144 PolarHBondContact OD1-NE2 2.86Å; L141-Q144 PolarHBondContact O-N 3.3Å; L141-Q144 VanDerWaalsContact O-N 3.12Å; P142-Q144 VanDerWaalsContact C-N 3.32Å; P142-Q144 PolarHBondContact O-N 3.46Å; Q144-Q146 VanDerWaalsContact C-N 3.31Å; Q144-Q146 PolarHBondContact O-N 3.49Å; Q144-K147 WeakPolarHBondContact O-CB 3.48Å; Q144-K147 PolarHBondContact O-N 2.94Å; Q144-K147 VanDerWaalsContact O-N 3.14Å
145I95.3Very high94.3Very high6 Ų669.3 Ų69.33%0.03134%0.341CS..Hα-helixtrans-57.8-44.5174.3-68.5171.4000110.7T37 V38 A41 L141 P142 K147 L148 T149 Y153 V155T37-I145 HydrophobicContact CG2-CG2 4.28Å; V38-I145 HydrophobicContact CG2-CD1 4.23Å; A41-I145 HydrophobicContact CB-CB 4.49Å; A41-I145 HydrophobicContact CB-CG1 3.53Å; L141-I145 HydrophobicContact CD1-CD1 4.02Å; L141-I145 HydrophobicContact CD1-CG1 4.1Å; L141-I145 HydrophobicContact CG-CD1 3.86Å; L141-I145 HydrophobicContact CG-CG1 4.37Å; L141-I145 WeakPolarHBondContact O-CG1 3.28Å; L141-I145 PolarHBondContact O-N 3.42Å; P142-I145 PolarHBondContact O-N 3.06Å; I145-K147 PolarHBondContact O-N 3.32Å; I145-K147 VanDerWaalsContact O-N 3.16Å; I145-L148 PolarHBondContact O-N 3.49Å; I145-T149 HydrophobicContact CG2-CG2 3.95Å; I145-T149 PolarHBondContact O-N 3.44Å; I145-Y153 HydrophobicContact CG2-CD2 3.49Å; I145-Y153 VanDerWaalsContact CG2-CD2 3.49Å; I145-Y153 HydrophobicContact CG2-CE2 3.92Å; I145-Y153 HydrophobicContact CG2-CG 4.21Å; I145-V155 HydrophobicContact CD1-CG2 4.44Å
146Q94.4Very high94.3Very high159 Ų15970.2 Ų70.274%0.74335%0.351SS*.Hα-helixtrans-63.9-19.5180-168.3174.618.500114P142 Q144P142-Q146 WeakPolarHBondContact O-CB 3.24Å; P142-Q146 PolarHBondContact O-N 2.7Å; Q144-Q146 VanDerWaalsContact C-N 3.31Å; Q144-Q146 PolarHBondContact O-N 3.49Å
147K94.3Very high94.3Very high134 Ų13469.8 Ų69.858%0.58335%0.35SS*.Hα-helixtrans-79.6-21.9172.8-63.8170.6-169.6173.20112.8T143 Q144 I145T143-K147 WeakPolarHBondContact O-CG 3.46Å; Q144-K147 WeakPolarHBondContact O-CB 3.48Å; Q144-K147 PolarHBondContact O-N 2.94Å; Q144-K147 VanDerWaalsContact O-N 3.14Å; I145-K147 PolarHBondContact O-N 3.32Å; I145-K147 VanDerWaalsContact O-N 3.16Å
148L94.3Very high94.3Very high72 Ų7271 Ų7138%0.37736%0.359SS..Hα-helixtrans-98.1-30.9-175-70.6173.1000113.1T37 C40 A41 I145T37-L148 HydrophobicContact CG2-CB 4.38Å; C40-L148 HydrophobicContact CB-CD1 3.72Å; A41-L148 HydrophobicContact CB-CD1 4.01Å; I145-L148 PolarHBondContact O-N 3.49Å
149T92.7Very high94Very high32 Ų3273.6 Ų73.620%0.19637%0.372CS..  trans-149.2150.6-176.8-178.50000112T37 I145 E151 Y153T37-T149 HydrophobicContact CG2-CG2 3.76Å; I145-T149 HydrophobicContact CG2-CG2 3.95Å; I145-T149 PolarHBondContact O-N 3.44Å; T149-E151 VanDerWaalsContact C-N 3.27Å; T149-E151 HydrophobicContact CG2-CB 4.22Å; T149-E151 WeakPolarHBondContact OG1-CB 3.29Å; T149-E151 PolarHBondContact OG1-N 3.18Å; T149-Y153 HydrophobicContact CG2-CE2 3.71Å
150E89.8Confident93.9Very high200 Ų20071 Ų7194%0.93537%0.367SS*.SBendtrans-80.3-10.4172.6-60.5-175.4177.300112.5
151E87.5Confident93.7Very high101 Ų10173 Ų7347%0.47238%0.376SS..SBendtrans-67.2145.2178.2-72-178.7155.900112.3T149 Y153T149-E151 VanDerWaalsContact C-N 3.27Å; T149-E151 HydrophobicContact CG2-CB 4.22Å; T149-E151 WeakPolarHBondContact OG1-CB 3.29Å; T149-E151 PolarHBondContact OG1-N 3.18Å; E151-Y153 HydrophobicContact CB-CD2 4.4Å; E151-Y153 HydrophobicContact CB-CE2 3.58Å; E151-Y153 WeakPolarHBondContact O-CD2 3.43Å; E151-Y153 PolarHBondContact OE2-OH 3.1Å
152K89Confident93.7Very high163 Ų16373 Ų7371%0.70938%0.376SS*.  trans-96.9127.5-179.3-64.1-175.3-179.4-175.50111.2T169K152-T169 HydrophobicContact CB-CG2 4.24Å; K152-T169 WeakPolarHBondContact O-CB 3.49Å; K152-T169 WeakPolarHBondContact O-CG2 3.33Å; K152-T169 PolarHBondContact O-N 3.05Å; K152-T169 PolarHBondContact O-OG1 3.14Å
153Y93.6Very high93.7Very high32 Ų3270.5 Ų70.513%0.12536%0.36CS..EExtended strand (participates in β ladder)trans-117.5138.2176.5-63.4-97.8000109.1L34 I145 T149 E151 V166 Q167 T168L34-Y153 HydrophobicContact CD1-CD1 3.96Å; L34-Y153 HydrophobicContact CD1-CE1 3.57Å; I145-Y153 HydrophobicContact CG2-CD2 3.49Å; I145-Y153 VanDerWaalsContact CG2-CD2 3.49Å; I145-Y153 HydrophobicContact CG2-CE2 3.92Å; I145-Y153 HydrophobicContact CG2-CG 4.21Å; T149-Y153 HydrophobicContact CG2-CE2 3.71Å; E151-Y153 HydrophobicContact CB-CD2 4.4Å; E151-Y153 HydrophobicContact CB-CE2 3.58Å; E151-Y153 WeakPolarHBondContact O-CD2 3.43Å; E151-Y153 PolarHBondContact OE2-OH 3.1Å; Y153-V166 HydrophobicContact CD1-CG1 3.91Å; Y153-V166 HydrophobicContact CG-CG1 4.38Å; Y153-Q167 WeakPolarHBondContact CA-O 3.44Å; Y153-T168 HydrophobicContact CD1-CG2 4.07Å; Y153-T168 HydrophobicContact CE1-CG2 3.65Å
154E95.4Very high93.9Very high107 Ų10766.9 Ų66.950%0.534%0.338SS..EExtended strand (participates in β ladder)trans-88.3128.5168.5-71.3166.3-179.100107.4V166 Q167 T169E154-V166 CarbonylContact O-C 3.54Å; E154-V166 WeakPolarHBondContact O-CA 3.48Å; E154-Q167 HydrophobicContact CB-CB 4.35Å; E154-Q167 PolarHBondContact N-O 3.28Å; E154-Q167 PolarHBondContact O-N 2.84Å; E154-Q167 PolarHBondContact OE2-NE2 2.82Å; E154-T169 HydrophobicContact CG-CG2 3.91Å
155V96.9Very high94Very high36 Ų3669.3 Ų69.322%0.21835%0.351CS..EExtended strand (participates in β ladder)trans-128.7133.3-177.8-174.80000109.2L141 P142 I145 I164 L165 V166L141-V155 HydrophobicContact CD2-CG1 4.25Å; P142-V155 HydrophobicContact CG-CB 3.89Å; P142-V155 HydrophobicContact CG-CG1 4.25Å; P142-V155 HydrophobicContact CG-CG2 3.94Å; I145-V155 HydrophobicContact CD1-CG2 4.44Å; V155-I164 HydrophobicContact CG1-CG2 3.72Å; V155-L165 WeakPolarHBondContact CA-O 3.32Å; V155-V166 HydrophobicContact CG1-CG2 4.24Å; V155-V166 HydrophobicContact CG2-CG1 4.29Å; V155-V166 HydrophobicContact CG2-CG2 4.18Å
156S96.3Very high94.1Very high62 Ų6269.1 Ų69.143%0.43435%0.35SS..EExtended strand (participates in β ladder)trans-149.6140.6179.254.90000111.7C138 L165C138-S156 VanDerWaalsContact SG-C 3.55Å; S156-L165 PolarHBondContact N-O 3.45Å; S156-L165 PolarHBondContact O-N 3.24Å
157S95.3Very high94.2Very high45 Ų4564 Ų6432%0.31533%0.326SS..EExtended strand (participates in β ladder)trans-79.2149.9169.446.80000110.8D135 C138D135-S157 WeakPolarHBondContact OD1-CB 3.46Å; D135-S157 PolarHBondContact OD1-OG 3.22Å; C138-S157 PolarHBondContact SG-N 2.81Å
158S94.4Very high94.1Very high26 Ų2658.4 Ų58.418%0.18230%0.303CS..EExtended strand (participates in β ladder)trans-136.598.1174.5-176.10000108.8E161 A162 A163S158-E161 PolarHBondContact O-N 2.85Å; S158-A162 PolarHBondContact O-N 2.88Å; S158-A163 PolarHBondContact N-O 3.13Å; S158-A163 PolarHBondContact O-N 3.01Å; S158-A163 VanDerWaalsContact O-N 3.1Å
159L91.9Very high93.9Very high66 Ų6658 Ų5835%0.34630%0.304SS..G310 helixtrans-59.1-45.4179.2-61163000112.4Q131 L134 E161 A162 L258Q131-L159 HydrophobicContact CB-CD2 3.94Å; Q131-L159 HydrophobicContact CG-CD2 3.59Å; L134-L159 HydrophobicContact CD2-CD2 3.67Å; L134-L159 HydrophobicContact CD2-CG 4.4Å; L159-E161 PolarHBondContact O-N 2.97Å; L159-A162 PolarHBondContact O-N 3.43Å; L159-L258 HydrophobicContact CD2-CD2 4.22Å
160P92.4Very high93.5Very high91 Ų9159.3 Ų59.359%0.59132%0.318SS*.G310 helixtrans-68.1-6.2-180-19.434000115R262P160-R262 PolarHBondContact O-NE 2.99Å; P160-R262 PolarHBondContact O-NH2 3.42Å
161E92.5Very high93.1Very high64 Ų6456.2 Ų56.230%0.29931%0.307SS..G310 helixtrans-113.81.2174.4-70.1-165-13700113.3S158 L159 A163 K177S158-E161 PolarHBondContact O-N 2.85Å; L159-E161 PolarHBondContact O-N 2.97Å; E161-A163 HydrophobicContact CB-CB 4.04Å; E161-A163 WeakPolarHBondContact O-CB 3.29Å; E161-A163 PolarHBondContact O-N 2.67Å; E161-K177 WeakPolarHBondContact OE2-CE 3.46Å; E161-K177 IonicContact OE2-NZ 2.62Å; E161-K177 PolarHBondContact OE2-NZ 3.14Å
162A95.3Very high93.1Very high0 Ų052.9 Ų52.90%030%0.295CS..THydrogen-bonded Turntrans49.136.8-170.800000113S158 L159 T179 L180 L258 R262S158-A162 PolarHBondContact O-N 2.88Å; L159-A162 PolarHBondContact O-N 3.43Å; A162-T179 HydrophobicContact CB-CG2 4.39Å; A162-L180 PolarHBondContact O-N 2.91Å; A162-L258 HydrophobicContact CB-CB 3.94Å; A162-L258 HydrophobicContact CB-CD1 3.98Å; A162-L258 HydrophobicContact CB-CG 4.47Å; A162-R262 HydrophobicContact CB-CB 3.69Å; A162-R262 HydrophobicContact CB-CG 4.42Å
163A97.3Very high93.2Very high0 Ų050.2 Ų50.20%028%0.283CS..EExtended strand (participates in β ladder)trans-142155.1-162.600000115.5S158 E161 K177 I178 T179S158-A163 PolarHBondContact N-O 3.13Å; S158-A163 PolarHBondContact O-N 3.01Å; S158-A163 VanDerWaalsContact O-N 3.1Å; E161-A163 HydrophobicContact CB-CB 4.04Å; E161-A163 WeakPolarHBondContact O-CB 3.29Å; E161-A163 PolarHBondContact O-N 2.67Å; A163-K177 HydrophobicContact CB-CD 4.37Å; A163-K177 HydrophobicContact CB-CG 3.9Å; A163-I178 CarbonylContact C-O 3.59Å; A163-I178 WeakPolarHBondContact CA-O 3.37Å; A163-I178 WeakPolarHBondContact CB-O 3.47Å; A163-T179 HydrophobicContact CB-CG2 4.46Å
164I98.1Very high93.3Very high0 Ų048.9 Ų48.90%028%0.278CS..EExtended strand (participates in β ladder)trans-104.4130.1169.2-54.7174.7000108L134 V137 C138 L141 V155 V166 I178 L180L134-I164 HydrophobicContact CD1-CD1 4.26Å; L134-I164 HydrophobicContact CD1-CG1 3.6Å; L134-I164 HydrophobicContact CG-CG1 4.38Å; V137-I164 HydrophobicContact CB-CD1 3.83Å; V137-I164 HydrophobicContact CG1-CD1 3.43Å; V137-I164 VanDerWaalsContact CG1-CD1 3.43Å; C138-I164 HydrophobicContact CB-CD1 4.12Å; C138-I164 HydrophobicContact CB-CG1 4.3Å; C138-I164 HydrophobicContact CB-CG2 4.46Å; L141-I164 HydrophobicContact CD2-CG2 4.25Å; V155-I164 HydrophobicContact CG1-CG2 3.72Å; I164-V166 HydrophobicContact CG2-CG2 4.42Å; I164-I178 HydrophobicContact CB-CB 4.34Å; I164-I178 HydrophobicContact CB-CD1 4.28Å; I164-I178 HydrophobicContact CG2-CD1 4.38Å; I164-I178 PolarHBondContact N-O 2.78Å; I164-I178 PolarHBondContact O-N 2.87Å; I164-L180 HydrophobicContact CD1-CD1 4.32Å; I164-L180 HydrophobicContact CG1-CD1 4.32Å
165L97.7Very high93.4Very high60 Ų6048.7 Ų48.731%0.31428%0.276SS..EExtended strand (participates in β ladder)trans-103.7121.6178.1-55.8-179.8000109V155 S156 K177V155-L165 WeakPolarHBondContact CA-O 3.32Å; S156-L165 PolarHBondContact N-O 3.45Å; S156-L165 PolarHBondContact O-N 3.24Å; L165-K177 HydrophobicContact CD2-CB 3.93Å; L165-K177 HydrophobicContact CD2-CG 3.99Å
166V97.4Very high93.4Very high1 Ų147 Ų471%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-114.2120.8175.2-1790000108.9L34 V38 L141 Y153 E154 V155 I164 L176 I178L34-V166 HydrophobicContact CD1-CG1 4.18Å; V38-V166 HydrophobicContact CG2-CG1 4.05Å; L141-V166 HydrophobicContact CD2-CG2 3.87Å; Y153-V166 HydrophobicContact CD1-CG1 3.91Å; Y153-V166 HydrophobicContact CG-CG1 4.38Å; E154-V166 CarbonylContact O-C 3.54Å; E154-V166 WeakPolarHBondContact O-CA 3.48Å; V155-V166 HydrophobicContact CG1-CG2 4.24Å; V155-V166 HydrophobicContact CG2-CG1 4.29Å; V155-V166 HydrophobicContact CG2-CG2 4.18Å; I164-V166 HydrophobicContact CG2-CG2 4.42Å; V166-L176 HydrophobicContact CB-CB 4.31Å; V166-L176 PolarHBondContact N-O 2.86Å; V166-L176 PolarHBondContact O-N 3.43Å; V166-I178 HydrophobicContact CG2-CD1 3.74Å
167Q96.1Very high93.5Very high52 Ų5246.5 Ų46.524%0.24326%0.255CS..EExtended strand (participates in β ladder)trans-119.1136.7-178.5-172.4178.5-87.600111.7Y153 E154 L174 K175Y153-Q167 WeakPolarHBondContact CA-O 3.44Å; E154-Q167 HydrophobicContact CB-CB 4.35Å; E154-Q167 PolarHBondContact N-O 3.28Å; E154-Q167 PolarHBondContact O-N 2.84Å; E154-Q167 PolarHBondContact OE2-NE2 2.82Å; Q167-L174 WeakPolarHBondContact CA-O 3.46Å; Q167-K175 HydrophobicContact CB-CG 4.49Å; Q167-K175 HydrophobicContact CG-CG 4.04Å
168T93.1Very high93.7Very high17 Ų1744.3 Ų44.310%0.10424%0.24CC..EExtended strand (participates in β ladder)trans-74.6136.6171.953.90000111.5L34 Y153 A170 P172 K173 L174L34-T168 HydrophobicContact CD1-CG2 4.39Å; L34-T168 HydrophobicContact CD2-CG2 4.11Å; Y153-T168 HydrophobicContact CD1-CG2 4.07Å; Y153-T168 HydrophobicContact CE1-CG2 3.65Å; T168-A170 PolarHBondContact OG1-O 3Å; T168-P172 PolarHBondContact OG1-O 3.09Å; T168-K173 WeakPolarHBondContact OG1-CA 3.31Å; T168-L174 HydrophobicContact CG2-CB 4.39Å; T168-L174 PolarHBondContact N-O 2.99Å; T168-L174 PolarHBondContact OG1-N 3.39Å; T168-L174 PolarHBondContact OG1-O 2.9Å
169T89.7Confident93.8Very high63 Ų6343.8 Ų43.839%0.38724%0.236SC..SBendtrans-81.9-25.2174.5590000113K152 E154K152-T169 HydrophobicContact CB-CG2 4.24Å; K152-T169 WeakPolarHBondContact O-CB 3.49Å; K152-T169 WeakPolarHBondContact O-CG2 3.33Å; K152-T169 PolarHBondContact O-N 3.05Å; K152-T169 PolarHBondContact O-OG1 3.14Å; E154-T169 HydrophobicContact CG-CG2 3.91Å
170A84.4Confident94.1Very high60 Ų6040.7 Ų40.750%0.49622%0.22SC..SBendtrans-83.7154.5174.600000111.8T168 P172 K173T168-A170 PolarHBondContact OG1-O 3Å; A170-P172 CarbonylContact O-C 3.55Å; A170-K173 PolarHBondContact O-N 3.43Å
171D81.9Confident94.4Very high134 Ų13436.3 Ų36.372%0.71719%0.192SC*.SBendtrans-79.3132.3172.8-73.2-47.4000110.9
172P86.6Confident94.5Very high32 Ų3233.3 Ų33.321%0.20818%0.177CC..SBendcis-74.5137.52.429.8-34.4000113.6A30 M117 T168 A170 L174A30-P172 HydrophobicContact CB-CG 4.04Å; M117-P172 HydrophobicContact CE-CB 3.65Å; T168-P172 PolarHBondContact OG1-O 3.09Å; A170-P172 CarbonylContact O-C 3.55Å; P172-L174 VanDerWaalsContact C-N 3.27Å; P172-L174 HydrophobicContact CG-CG 4.3Å; P172-L174 PolarHBondContact O-N 3.45Å
173K90.9Very high94.4Very high107 Ų10736.6 Ų36.647%0.46520%0.199SC..  trans-72.775.5174-65.5-170.1178.4-165.10112.2M117 T168 A170M117-K173 HydrophobicContact CE-CB 4.41Å; M117-K173 VanDerWaalsContact CE-O 3.23Å; M117-K173 WeakPolarHBondContact CE-O 3.38Å; T168-K173 WeakPolarHBondContact OG1-CA 3.31Å; A170-K173 PolarHBondContact O-N 3.43Å
174L95.6Very high94.1Very high4 Ų437.4 Ų37.42%0.02121%0.205CC..  trans-71.2143.8173.9-61.7176.2000109.9A30 V31 L34 M117 L119 Q167 T168 P172A30-L174 HydrophobicContact CB-CD1 3.88Å; V31-L174 HydrophobicContact CB-CD1 4.43Å; V31-L174 HydrophobicContact CG2-CD1 3.78Å; V31-L174 HydrophobicContact CG2-CD2 4.05Å; L34-L174 HydrophobicContact CD2-CB 3.47Å; L34-L174 VanDerWaalsContact CD2-CB 3.47Å; L34-L174 HydrophobicContact CD2-CD1 3.92Å; L34-L174 HydrophobicContact CD2-CG 4.36Å; M117-L174 CarbonylContact O-C 3.57Å; M117-L174 WeakPolarHBondContact O-CA 3.17Å; L119-L174 HydrophobicContact CD1-CB 4.36Å; L119-L174 HydrophobicContact CD1-CD1 4.38Å; Q167-L174 WeakPolarHBondContact CA-O 3.46Å; T168-L174 HydrophobicContact CG2-CB 4.39Å; T168-L174 PolarHBondContact N-O 2.99Å; T168-L174 PolarHBondContact OG1-N 3.39Å; T168-L174 PolarHBondContact OG1-O 2.9Å; P172-L174 VanDerWaalsContact C-N 3.27Å; P172-L174 HydrophobicContact CG-CG 4.3Å; P172-L174 PolarHBondContact O-N 3.45Å
175K96.8Very high93.7Very high102 Ų10237.5 Ų37.544%0.44321%0.206SC..EExtended strand (participates in β ladder)trans-119.2125173.9-68.8177.1176.2-178.40108.5M117 D118 L119 Q167M117-K175 PolarHBondContact O-N 2.84Å; D118-K175 CarbonylContact C-O 3.5Å; D118-K175 WeakPolarHBondContact CA-O 3.46Å; D118-K175 WeakPolarHBondContact OD1-CD 3.49Å; L119-K175 PolarHBondContact N-O 3.32Å; Q167-K175 HydrophobicContact CB-CG 4.49Å; Q167-K175 HydrophobicContact CG-CG 4.04Å
176L98.1Very high93.1Very high1 Ų137.8 Ų37.81%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-113.9111.4177.5-17570.9000108.6L34 V35 V38 L119 L121 V166 I178L34-L176 HydrophobicContact CD1-CB 4.31Å; L34-L176 HydrophobicContact CD1-CD2 4.04Å; L34-L176 HydrophobicContact CD2-CB 4.16Å; L34-L176 HydrophobicContact CG-CB 4.37Å; L34-L176 HydrophobicContact CG-CD2 4.18Å; V35-L176 HydrophobicContact CG2-CD1 4.04Å; V38-L176 HydrophobicContact CB-CD2 3.69Å; V38-L176 HydrophobicContact CG1-CD2 3.67Å; V38-L176 HydrophobicContact CG2-CD2 3.81Å; L119-L176 HydrophobicContact CB-CD1 3.49Å; L119-L176 VanDerWaalsContact CB-CD1 3.49Å; L119-L176 HydrophobicContact CD1-CD1 4.28Å; L119-L176 WeakPolarHBondContact O-CA 3.31Å; L121-L176 HydrophobicContact CD1-CD1 4.2Å; L121-L176 HydrophobicContact CD1-CD2 3.9Å; L121-L176 HydrophobicContact CD1-CG 4.29Å; L121-L176 HydrophobicContact CG-CD1 3.9Å; L121-L176 HydrophobicContact CG-CD2 4.49Å; L121-L176 HydrophobicContact CG-CG 4.38Å; V166-L176 HydrophobicContact CB-CB 4.31Å; V166-L176 PolarHBondContact N-O 2.86Å; V166-L176 PolarHBondContact O-N 3.43Å; L176-I178 HydrophobicContact CG-CG1 4.48Å
177K98.3Very high92Very high51 Ų5143.4 Ų43.422%0.22223%0.229CC..EExtended strand (participates in β ladder)trans-88.9123.8172.7174.9174.8170.8165.30109.2L119 E120 L121 E161 A163 L165 T179L119-K177 PolarHBondContact O-N 3.4Å; E120-K177 CarbonylContact C-O 3.42Å; E120-K177 WeakPolarHBondContact CA-O 3.39Å; L121-K177 PolarHBondContact N-O 2.85Å; E161-K177 WeakPolarHBondContact OE2-CE 3.46Å; E161-K177 IonicContact OE2-NZ 2.62Å; E161-K177 PolarHBondContact OE2-NZ 3.14Å; A163-K177 HydrophobicContact CB-CD 4.37Å; A163-K177 HydrophobicContact CB-CG 3.9Å; L165-K177 HydrophobicContact CD2-CB 3.93Å; L165-K177 HydrophobicContact CD2-CG 3.99Å; K177-T179 WeakPolarHBondContact CE-OG1 3.32Å
178I98.4Very high90.5Very high0 Ų042.5 Ų42.50%023%0.226CC..EExtended strand (participates in β ladder)trans-111.1103.6176.2-52.2153.9000106.7V38 L42 L121 L123 L141 A163 I164 V166 L176V38-I178 HydrophobicContact CG1-CD1 3.77Å; V38-I178 HydrophobicContact CG1-CG1 4.43Å; L42-I178 HydrophobicContact CD1-CD1 4.16Å; L42-I178 HydrophobicContact CD1-CG1 4.47Å; L42-I178 HydrophobicContact CD1-CG2 4.09Å; L121-I178 HydrophobicContact CB-CG1 4.41Å; L121-I178 HydrophobicContact CB-CG2 4.48Å; L121-I178 HydrophobicContact CD1-CG1 4.43Å; L121-I178 WeakPolarHBondContact O-CA 3.46Å; L123-I178 HydrophobicContact CB-CG2 3.84Å; L141-I178 HydrophobicContact CD2-CD1 3.96Å; A163-I178 CarbonylContact C-O 3.59Å; A163-I178 WeakPolarHBondContact CA-O 3.37Å; A163-I178 WeakPolarHBondContact CB-O 3.47Å; I164-I178 HydrophobicContact CB-CB 4.34Å; I164-I178 HydrophobicContact CB-CD1 4.28Å; I164-I178 HydrophobicContact CG2-CD1 4.38Å; I164-I178 PolarHBondContact N-O 2.78Å; I164-I178 PolarHBondContact O-N 2.87Å; V166-I178 HydrophobicContact CG2-CD1 3.74Å; L176-I178 HydrophobicContact CG-CG1 4.48Å
179T98.2Very high89Confident15 Ų1543.4 Ų43.49%0.09223%0.23CC..EExtended strand (participates in β ladder)trans-91.5131.6-179.7-41.30000109.5L121 V122 L123 A162 A163 K177 A266L121-T179 PolarHBondContact O-N 2.8Å; V122-T179 WeakPolarHBondContact CA-O 3.47Å; L123-T179 PolarHBondContact N-O 3.08Å; A162-T179 HydrophobicContact CB-CG2 4.39Å; A163-T179 HydrophobicContact CB-CG2 4.46Å; K177-T179 WeakPolarHBondContact CE-OG1 3.32Å; T179-A266 HydrophobicContact CG2-CB 3.84Å
180L97.8Very high87.6Confident0 Ų043.5 Ų43.50%023%0.228CC..EExtended strand (participates in β ladder)trans-86.7140.1177.1-81.864.8000109.6L123 P129 L133 L134 A162 I164 L258 C263L123-L180 HydrophobicContact CB-CD1 4.25Å; L123-L180 HydrophobicContact CB-CG 4.29Å; L123-L180 HydrophobicContact CD2-CD1 4.01Å; L123-L180 HydrophobicContact CD2-CD2 4.49Å; L123-L180 HydrophobicContact CD2-CG 4Å; L123-L180 HydrophobicContact CG-CG 4.42Å; P129-L180 HydrophobicContact CB-CB 3.98Å; P129-L180 HydrophobicContact CB-CD2 4.41Å; P129-L180 HydrophobicContact CG-CB 4.33Å; L133-L180 HydrophobicContact CG-CD2 4.41Å; L134-L180 HydrophobicContact CB-CD2 4.26Å; L134-L180 HydrophobicContact CD1-CD1 3.64Å; L134-L180 HydrophobicContact CD1-CD2 3.81Å; L134-L180 HydrophobicContact CD1-CG 4.24Å; A162-L180 PolarHBondContact O-N 2.91Å; I164-L180 HydrophobicContact CD1-CD1 4.32Å; I164-L180 HydrophobicContact CG1-CD1 4.32Å; L180-L258 HydrophobicContact CB-CD1 3.94Å; L180-L258 HydrophobicContact CD2-CD1 4.36Å; L180-C263 PolarHBondContact O-SG 3.43Å
181T97.3Very high86.4Confident0 Ų045.2 Ų45.20%023%0.229CC..EExtended strand (participates in β ladder)trans-159.1160.1174.3-164.90000110.8V122 L123 M124 C125 C263 A266 L267V122-T181 HydrophobicContact CG1-CG2 3.46Å; V122-T181 VanDerWaalsContact CG1-CG2 3.46Å; L123-T181 PolarHBondContact O-N 2.82Å; L123-T181 VanDerWaalsContact O-N 3.12Å; M124-T181 CarbonylContact C-O 3.55Å; M124-T181 WeakPolarHBondContact CA-O 3.47Å; M124-T181 HydrophobicContact CE-CG2 4.37Å; M124-T181 HydrophobicContact SD-CG2 3.87Å; C125-T181 PolarHBondContact N-O 2.92Å; T181-C263 WeakPolarHBondContact OG1-CB 3.46Å; T181-C263 PolarHBondContact OG1-O 2.82Å; T181-A266 HydrophobicContact CG2-CB 4.13Å; T181-L267 HydrophobicContact CG2-CD2 3.65Å; T181-L267 HydrophobicContact CG2-CG 3.98Å; T181-L267 WeakPolarHBondContact OG1-CG 3.27Å
182S95.8Very high85.4Confident0 Ų043.2 Ų43.20%022%0.215CC..  trans-127.7150.9170.3160.80000109.3C125 R126 D127 A184 M185C125-S182 WeakPolarHBondContact O-CA 3.47Å; C125-S182 WeakPolarHBondContact O-CB 3.46Å; R126-S182 PolarHBondContact O-OG 3.23Å; D127-S182 WeakPolarHBondContact O-CB 3.35Å; S182-A184 PolarHBondContact O-N 2.95Å; S182-A184 WeakPolarHBondContact OG-CB 3.23Å; S182-A184 PolarHBondContact OG-N 3.16Å; S182-M185 WeakPolarHBondContact O-CB 3.41Å; S182-M185 WeakPolarHBondContact O-CG 3.4Å; S182-M185 PolarHBondContact O-N 3.48Å; S182-M185 VanDerWaalsContact O-N 3.13Å
183P92.8Very high84.1Confident69 Ų6945.3 Ų45.345%0.44822%0.222SC..G310 helixtrans-53.6-33168.4-2335.4000113.3M124 M185 R186M124-P183 HydrophobicContact CE-CG 3.89Å; P183-M185 PolarHBondContact O-N 3.06Å; P183-M185 VanDerWaalsContact O-N 3.11Å; P183-R186 PolarHBondContact O-N 3Å; P183-R186 VanDerWaalsContact O-N 3.08Å
184A91.3Very high82.6Confident17 Ų1746.1 Ų46.114%0.1423%0.227CC..G310 helixtrans-62.7-16.2178.700000113.8K128 S182 R186 E187K128-A184 HydrophobicContact CG-CB 4.11Å; S182-A184 PolarHBondContact O-N 2.95Å; S182-A184 WeakPolarHBondContact OG-CB 3.23Å; S182-A184 PolarHBondContact OG-N 3.16Å; A184-R186 PolarHBondContact O-N 3.39Å; A184-E187 PolarHBondContact O-N 2.73Å
185M89.5Confident80.8Confident3 Ų352.7 Ų52.72%0.01526%0.258CS..G310 helixtrans-68.4-8173.5-59.4-60.9-64.700113.6K128 S182 P183 V257 R260 C263 L264 L267K128-M185 HydrophobicContact CB-SD 3.62Å; K128-M185 HydrophobicContact CD-SD 3.97Å; K128-M185 HydrophobicContact CG-SD 3.62Å; S182-M185 WeakPolarHBondContact O-CB 3.41Å; S182-M185 WeakPolarHBondContact O-CG 3.4Å; S182-M185 PolarHBondContact O-N 3.48Å; S182-M185 VanDerWaalsContact O-N 3.13Å; P183-M185 PolarHBondContact O-N 3.06Å; P183-M185 VanDerWaalsContact O-N 3.11Å; M185-V257 HydrophobicContact CE-CG1 4.04Å; M185-V257 HydrophobicContact SD-CG1 4.2Å; M185-R260 HydrophobicContact CE-CB 3.96Å; M185-R260 HydrophobicContact CE-CG 4.18Å; M185-C263 HydrophobicContact CB-CB 4.29Å; M185-C263 HydrophobicContact CE-CB 3.84Å; M185-C263 HydrophobicContact CG-CB 3.91Å; M185-L264 WeakPolarHBondContact O-CD2 3.25Å; M185-L267 HydrophobicContact CB-CD1 4.43Å
186R84.8Confident79Confident65 Ų6554.6 Ų54.625%0.24527%0.269CS..THydrogen-bonded Turntrans-112.8-16.1177.8-155.2-171.4-176.3-152.6-4.7113.1P183 A184 D188 D189 L264 L267 E356P183-R186 PolarHBondContact O-N 3Å; P183-R186 VanDerWaalsContact O-N 3.08Å; A184-R186 PolarHBondContact O-N 3.39Å; R186-D188 PolarHBondContact O-N 3.09Å; R186-D189 HydrophobicContact CG-CB 4.46Å; R186-D189 WeakPolarHBondContact CG-OD2 3.39Å; R186-D189 WeakPolarHBondContact O-CB 3.48Å; R186-D189 PolarHBondContact O-N 2.87Å; R186-D189 VanDerWaalsContact O-N 3.08Å; R186-L264 HydrophobicContact CB-CD2 4.19Å; R186-L264 HydrophobicContact CG-CD2 4.13Å; R186-L267 HydrophobicContact CB-CD1 4.37Å; R186-E356 IonicContact NH2-OE2 2.79Å
187E75.6Confident77.1Confident119 Ų11961.9 Ų61.956%0.55630%0.302SS*.Hα-helixtrans-66.8-24.9176.6-67.2171.2-178.800110.4A184 L191A184-E187 PolarHBondContact O-N 2.73Å; E187-L191 WeakPolarHBondContact O-CG 3.49Å; E187-L191 PolarHBondContact O-N 3.2Å
188D64.1Low75.1Confident34 Ų3466.5 Ų66.518%0.18233%0.325CS..Hα-helixtrans-66.3-35.9169.4-53.2-29.9000113K128 R186 D190 L191 E192K128-D188 WeakPolarHBondContact CE-OD1 3.33Å; K128-D188 VanDerWaalsContact CE-OD2 3.32Å; K128-D188 WeakPolarHBondContact CE-OD2 3.38Å; K128-D188 IonicContact NZ-OD1 2.7Å; K128-D188 PolarHBondContact NZ-OD1 3.43Å; K128-D188 IonicContact NZ-OD2 3.58Å; K128-D188 PolarHBondContact NZ-OD2 3.04Å; R186-D188 PolarHBondContact O-N 3.09Å; D188-D190 PolarHBondContact O-N 3.02Å; D188-L191 PolarHBondContact O-N 2.89Å; D188-E192 WeakPolarHBondContact O-CB 3.37Å; D188-E192 WeakPolarHBondContact O-CG 3.28Å; D188-E192 PolarHBondContact O-N 2.76Å
189D61.1Low73.2Confident35 Ų3574.3 Ų74.319%0.18736%0.361CS..Hα-helixtrans-62.4-45.6178.8-60.7-17.3000109.9R186 L191 E193 R260R186-D189 HydrophobicContact CG-CB 4.46Å; R186-D189 WeakPolarHBondContact CG-OD2 3.39Å; R186-D189 WeakPolarHBondContact O-CB 3.48Å; R186-D189 PolarHBondContact O-N 2.87Å; R186-D189 VanDerWaalsContact O-N 3.08Å; D189-L191 VanDerWaalsContact C-N 3.27Å; D189-L191 PolarHBondContact O-N 3.05Å; D189-E193 VanDerWaalsContact O-CB 3.28Å; D189-E193 WeakPolarHBondContact O-CB 3.31Å; D189-E193 WeakPolarHBondContact O-CG 3.42Å; D189-E193 PolarHBondContact O-N 3.03Å; D189-R260 IonicContact OD1-CZ 3.68Å; D189-R260 IonicContact OD1-NE 3.21Å; D189-R260 IonicContact OD1-NH2 2.74Å; D189-R260 PolarHBondContact OD1-NH2 3.14Å
190D60.2Low71.1Confident65 Ų6581.2 Ų81.235%0.34839%0.393SS..Hα-helixtrans-70.1-21.3-179.1-69.7-56000112.4D188 E194 K357D188-D190 PolarHBondContact O-N 3.02Å; D190-E194 VanDerWaalsContact O-CG 3.3Å; D190-E194 WeakPolarHBondContact O-CG 3.44Å; D190-E194 PolarHBondContact O-N 3.09Å; D190-K357 IonicContact OD1-NZ 2.7Å; D190-K357 PolarHBondContact OD1-NZ 3.43Å
191L60.3Low68.7Low97 Ų9783.8 Ų83.851%0.50842%0.419SS..Hα-helixtrans-90.4-42.2177.5-70.2172.1000112.8E187 D188 D189 E193 E194 E195E187-L191 WeakPolarHBondContact O-CG 3.49Å; E187-L191 PolarHBondContact O-N 3.2Å; D188-L191 PolarHBondContact O-N 2.89Å; D189-L191 VanDerWaalsContact C-N 3.27Å; D189-L191 PolarHBondContact O-N 3.05Å; L191-E193 VanDerWaalsContact C-N 3.3Å; L191-E193 PolarHBondContact O-N 3.37Å; L191-E194 PolarHBondContact O-N 3.18Å; L191-E195 PolarHBondContact O-N 3.04Å
192E59.8Low66.7Low91 Ų9192.1 Ų92.143%0.42546%0.458SS..Hα-helixtrans-62.7-38.5173.1-70.4169.5-179.600110.7D188 E195 E196 R260D188-E192 WeakPolarHBondContact O-CB 3.37Å; D188-E192 WeakPolarHBondContact O-CG 3.28Å; D188-E192 PolarHBondContact O-N 2.76Å; E192-E195 PolarHBondContact O-N 3.06Å; E192-E196 WeakPolarHBondContact O-CG 3.47Å; E192-E196 PolarHBondContact O-N 3.31Å; E192-R260 IonicContact OE1-CZ 2.69Å; E192-R260 IonicContact OE1-NH1 3.78Å; E192-R260 PolarHBondContact OE1-NH1 3.08Å; E192-R260 IonicContact OE1-NH2 3.46Å; E192-R260 IonicContact OE2-CZ 2.7Å; E192-R260 IonicContact OE2-NH1 3.34Å; E192-R260 PolarHBondContact OE2-NH1 2.84Å; E192-R260 IonicContact OE2-NH2 3.68Å; E192-R260 PolarHBondContact OE2-NH2 3.24Å
193E59.4Low64.4Low77 Ų7795.1 Ų95.136%0.3649%0.488SS..Hα-helixtrans-63.4-40171.7-75.8174-174.800112.3D189 L191 E197 K357D189-E193 VanDerWaalsContact O-CB 3.28Å; D189-E193 WeakPolarHBondContact O-CB 3.31Å; D189-E193 WeakPolarHBondContact O-CG 3.42Å; D189-E193 PolarHBondContact O-N 3.03Å; L191-E193 VanDerWaalsContact C-N 3.3Å; L191-E193 PolarHBondContact O-N 3.37Å; E193-E197 PolarHBondContact O-N 2.72Å; E193-K357 IonicContact OE2-NZ 3.05Å; E193-K357 PolarHBondContact OE2-NZ 3.29Å
194E59.3Low62.3Low124 Ų124100.5 Ų100.558%0.57951%0.507SS*.Hα-helixtrans-69.2-37.1177.4-80.6179.4-17500111.9D190 L191 E198D190-E194 VanDerWaalsContact O-CG 3.3Å; D190-E194 WeakPolarHBondContact O-CG 3.44Å; D190-E194 PolarHBondContact O-N 3.09Å; L191-E194 PolarHBondContact O-N 3.18Å; E194-E198 WeakPolarHBondContact O-CG 3.5Å; E194-E198 PolarHBondContact O-N 2.99Å
195E58.9Low60.1Low141 Ų141108.6 Ų108.666%0.65954%0.542SS*.Hα-helixtrans-70.2-39.5175.3-71.5-177.5-177.500112.5L191 E192 E198 E199L191-E195 PolarHBondContact O-N 3.04Å; E192-E195 PolarHBondContact O-N 3.06Å; E195-E198 PolarHBondContact O-N 3.02Å; E195-E199 PolarHBondContact O-N 3.39Å
196E57.6Low57.9Low143 Ų143117.3 Ų117.367%0.66858%0.583SS**Hα-helixtrans-65.7-40.1173.3-74.3-172.7177.400112.1E192 E199 E200E192-E196 WeakPolarHBondContact O-CG 3.47Å; E192-E196 PolarHBondContact O-N 3.31Å; E196-E199 PolarHBondContact O-N 3.45Å; E196-E200 PolarHBondContact O-N 3.45Å
197E58.5Low55.9Low153 Ų153123.2 Ų123.272%0.71561%0.614SS**Hα-helixtrans-66.7-32.5174.2-77.4-165.9-179.300112.7E193 G201E193-E197 PolarHBondContact O-N 2.72Å; E197-G201 PolarHBondContact O-N 3.25Å
198E57.3Low54.3Low149 Ų149123.6 Ų123.670%0.69663%0.626SS**Hα-helixtrans-72.5-41.6173.7-75-166.8171.900112.2E194 E195 G201 E202E194-E198 WeakPolarHBondContact O-CG 3.5Å; E194-E198 PolarHBondContact O-N 2.99Å; E195-E198 PolarHBondContact O-N 3.02Å; E198-G201 PolarHBondContact O-N 2.66Å; E198-E202 PolarHBondContact O-N 2.82Å
199E57Low53Low163 Ų163130.7 Ų130.776%0.76266%0.658SS**Hα-helixtrans-65.8-39.7174.8-74.8-155.9160.900112.9E195 E196 G201 G203E195-E199 PolarHBondContact O-N 3.39Å; E196-E199 PolarHBondContact O-N 3.45Å; E199-G201 VanDerWaalsContact C-N 3.31Å; E199-G203 PolarHBondContact O-N 3.37Å
200E54Low51.9Low161 Ų161136.6 Ų136.675%0.75269%0.69SS**Hα-helixtrans-66.2-34.4172.2-72.9-158.3159.100111.7E196 G203E196-E200 PolarHBondContact O-N 3.45Å; E200-G203 PolarHBondContact O-N 3.36Å
201G49.3Very low50.6Low53 Ų53137 Ų13755%0.54671%0.709SS.*Hα-helixtrans-68-34.9177.700000114.7E197 E198 E199 G203E197-G201 PolarHBondContact O-N 3.25Å; E198-G201 PolarHBondContact O-N 2.66Å; E199-G201 VanDerWaalsContact C-N 3.31Å; G201-G203 VanDerWaalsContact C-N 3.3Å
202E54.4Low49.5Very low176 Ų176141.2 Ų141.282%0.82273%0.727SS**Hα-helixtrans-76.5-16.4174.9-67.5-159.3158.300113E198E198-E202 PolarHBondContact O-N 2.82Å
203G47.8Very low48.3Very low62 Ų62144.9 Ų144.964%0.63975%0.749SS**THydrogen-bonded Turntrans-76.3-14.9-178.100000116.7E199 E200 G201E199-G203 PolarHBondContact O-N 3.37Å; E200-G203 PolarHBondContact O-N 3.36Å; G201-G203 VanDerWaalsContact C-N 3.3Å
204E48.9Very low47Very low182 Ų182145.2 Ų145.285%0.8577%0.773SS**THydrogen-bonded Turntrans-94.4-2-173.7-67.4-155141.500115.5E206E204-E206 PolarHBondContact O-N 3.45Å
205E45.5Very low45.7Very low187 Ų187148.2 Ų148.287%0.87479%0.787SS**  trans-90.936.6-178.9-69.8-151.7165.700116.1
206E43.2Very low44.6Very low186 Ų186149.6 Ų149.687%0.86979%0.793SS**  trans-114.895.8162.9-71.6-151.7159.100112.8E204 P208E204-E206 PolarHBondContact O-N 3.45Å; E206-P208 WeakPolarHBondContact O-CD 3.19Å
207E42.9Very low43.3Very low190 Ų190149.5 Ų149.589%0.88880%0.802SS**  trans-66.7127.2168.2-77.4-160.3157.500111.4E209E207-E209 PolarHBondContact O-N 3.09Å
208P40.8Very low42Very low127 Ų127146.3 Ų146.383%0.82580%0.802SS**  trans-85.4106.3174.731.8-32.2000112.1E206 N210E206-P208 WeakPolarHBondContact O-CD 3.19Å; P208-N210 PolarHBondContact O-N 3.28Å
209E37.3Very low40.8Very low182 Ų182147.6 Ų147.685%0.8581%0.808SS**  trans-71.5118.2165.3-80.4-156132.700111.9E207E207-E209 PolarHBondContact O-N 3.09Å
210N37Very low39.5Very low160 Ų160148.4 Ų148.486%0.85681%0.812SS**  trans5134.4159.4-60-69.9000120.8P208P208-N210 PolarHBondContact O-N 3.28Å
211G33.5Very low38.4Very low73 Ų73144.9 Ų144.975%0.75381%0.81SS**  trans177.18215600000119.6
212E36.7Very low37.4Very low186 Ų186151.6 Ų151.687%0.86983%0.827SS**  trans55.1114.6144.2-58.2-175.4160.300122.6
213D34.4Very low36.1Very low168 Ų168148.1 Ų148.190%0.89883%0.829SS**  trans37.9117.5132.4-56.8-18.5000121.9
214G32.2Very low35.3Very low83 Ų83154.4 Ų154.486%0.85684%0.841SS**  trans-169.789.3171.700000116.8
215E33.1Very low34.3Very low187 Ų187150.5 Ų150.587%0.87484%0.841SS**  trans-20.4147.7167.9-155.6163.9-15300121.7
216E34.4Very low33.6Very low171 Ų171151.1 Ų151.180%0.79984%0.844SS**  trans-12.6146.4167.2-52.8-177.9164.600121.7
217V31.2Very low32.9Very low140 Ų140146.9 Ų146.985%0.84884%0.84SS**  177.9152.4105.6153.50000111.3
218A31.9Very low32.3Very low87 Ų87146.7 Ų146.772%0.71984%0.839SS**  trans-105.3156.1-177.500000114.1
219E31.8Very low31.7Very low176 Ų176147.4 Ų147.482%0.82284%0.841SS**  trans175.5123.4141.5-97.7-177.614400107.1
220Q29.4Very low31.3Very low180 Ų180144 Ų14484%0.84183%0.832SS**  92.2150.962.7-84-161.31.900115.2
221A29.9Very low30.9Very low86 Ų86145.7 Ų145.771%0.71184%0.835SS**  trans71.2114179.800000115.1
222E28.1Very low30.6Very low194 Ų194150.2 Ų150.291%0.90784%0.837SS**  60.911059.3-61.9-174.5170.700113.6
223A29Very low30.2Very low104 Ų104148.3 Ų148.386%0.8683%0.828SS**  -169.5132.2120.200000111.2
224E29.4Very low29.8Very low193 Ų193146.9 Ų146.990%0.90282%0.816SS**  trans-73.4154.3168.7-53.5160.1143.600110.8
225A27.7Very low29.5Very low101 Ų101149.9 Ų149.984%0.83581%0.807SS**  trans-170.2120.1137.700000111.7
226E31.3Very low29.2Very low200 Ų200147.9 Ų147.994%0.93580%0.798SS**  trans-73.9147.9163.3-57172.9143.400110.8
227A28.7Very low29Very low97 Ų97147.3 Ų147.380%0.80280%0.795SS**  trans-162.6114.3146.500000111.6
228E30.1Very low28.8Very low185 Ų185148.1 Ų148.186%0.86480%0.795SS**  trans-67.6140.2157.8-71.7-179116.900110.3
229V28.9Very low28.7Very low142 Ų142147.8 Ų147.886%0.86180%0.8SS**  trans-141.4125.6143.5179.30000109
230V29.5Very low28.6Very low110 Ų110148.3 Ų148.367%0.66780%0.802SS**  trans-80.6139.7170.1172.60000109.6
231E27.5Very low28.7Very low197 Ų197145 Ų14592%0.92179%0.794SS**  trans-162.5157.4138.8-113.3165.5-151.800112.4
232E26.8Very low28.6Very low168 Ų168149.1 Ų149.179%0.78580%0.804SS**  trans-110.1168-158.9-93.4177.2145.700113.9
233E28.7Very low28.5Very low146 Ų146143.6 Ų143.668%0.68280%0.799SS**  trans79.3116.7148.5-77.6-177.5161.600123.4
234Q25.7Very low28.6Very low137 Ų137144.1 Ų144.164%0.6480%0.803SS**  89.3114121.8-71.3170.621.100123.6
235E26.6Very low28.6Very low146 Ų146139.4 Ų139.468%0.68280%0.797SS**  80.8113.1122.6-67.5-172.2166.300123.8
236Q26.5Very low29Very low146 Ų146139.7 Ų139.768%0.68280%0.8SS**  95.3129.6121-78.7178.425.200124
237E29.8Very low28.8Very low158 Ų158138.9 Ų138.974%0.73880%0.795SS**  trans92.6121.6140.5-76.9-177.4169.300123.4
238D28.2Very low28.8Very low158 Ų158139.6 Ų139.685%0.84579%0.79SS**  trans76.5121.1142.7-67.4-2.4000123.6
239G29.8Very low29Very low80 Ų80137 Ų13783%0.82579%0.787SS**  trans17261.3172.100000115.7
240E28.7Very low29.3Very low186 Ų186138.1 Ų138.187%0.86978%0.782SS**  trans-58.7152.5178.7-167.2-171.317600114.5
241V30.9Very low29.5Very low111 Ų111137.2 Ų137.267%0.67379%0.787SS**  trans146.6102.6133.9170.80000114.8
242L28.3Very low29.7Very low173 Ų173136.3 Ų136.391%0.90678%0.782SS**  trans63118.7144.3-59.2173.8000122.4
243G27Very low30.5Very low78 Ų78136.5 Ų136.580%0.80478%0.783SS**  trans-172.374.2160.900000113.3A245G243-A245 PolarHBondContact O-N 2.73Å
244A30Very low31.4Very low114 Ų114137.7 Ų137.794%0.94279%0.789SS**  trans-76.9120.3-178.400000112.8
245A29.2Very low32.7Very low95 Ų95134.9 Ų134.979%0.78580%0.796SS**  trans-140.4140.8158.600000107.8G243 H247G243-A245 PolarHBondContact O-N 2.73Å; A245-H247 PolarHBondContact O-N 3.4Å
246A36.5Very low35.4Very low107 Ų107132.1 Ų132.188%0.88478%0.783SS**  trans-67.7125.8-171.100000111.7
247H27.6Very low38.4Very low182 Ų182127.8 Ų127.884%0.84377%0.767SS**  trans-115.9146.3158.5-133.541.9000108.6A245A245-H247 PolarHBondContact O-N 3.4Å
248T29.4Very low41.5Very low113 Ų113120.7 Ų120.769%0.69373%0.734SS**  trans-68.6148.5-171.626.40000112E250T248-E250 PolarHBondContact O-N 3.07Å
249V33.9Very low44.6Very low131 Ų131116.9 Ų116.979%0.79471%0.713SS**THydrogen-bonded Turntrans-89.779-174.6-174.60000109.2
250E34.8Very low47.6Very low165 Ų165116.7 Ų116.777%0.77169%0.688SS**THydrogen-bonded Turntrans-130.6-11.9173.3-66.8-175.4167.500113.1T248 E252T248-E250 PolarHBondContact O-N 3.07Å; E250-E252 VanDerWaalsContact C-N 3.32Å; E250-E252 PolarHBondContact O-N 3.48Å
251A33.4Very low50.7Low91 Ų91113.5 Ų113.575%0.75267%0.672SS**THydrogen-bonded Turntrans-85.321.7-176.600000115.9
252E33Very low53.8Low178 Ų178112.6 Ų112.683%0.83266%0.657SS**THydrogen-bonded Turntrans-115.3-9.3178.6-71.6-166.4160.100114.9E250E250-E252 VanDerWaalsContact C-N 3.32Å; E250-E252 PolarHBondContact O-N 3.48Å
253E43.2Very low57Low172 Ų172104.3 Ų104.380%0.80461%0.614SS**SBendtrans-87.8-24.4177.8-72.2-158.715200114.7G255E253-G255 PolarHBondContact O-N 2.69Å; E253-G255 VanDerWaalsContact O-N 3.16Å
254E46Very low60.2Low171 Ų171102.3 Ų102.380%0.79958%0.584SS**THydrogen-bonded Turntrans-64.3-22-178-62.6-170.8135.700113.8E256E254-E256 VanDerWaalsContact C-N 3.33Å; E254-E256 PolarHBondContact O-N 3.46Å
255G55Low63.4Low77 Ų77100.9 Ų100.979%0.79456%0.561SS**THydrogen-bonded Turntrans-75.6-9.3-173.100000116.2E253E253-G255 PolarHBondContact O-N 2.69Å; E253-G255 VanDerWaalsContact O-N 3.16Å
256E81.9Confident66.6Low88 Ų8896.7 Ų96.741%0.41153%0.526SS..THydrogen-bonded Turntrans-113.4-17.5-176-141.8-164.512900114.6T130 Q131 T132 E254T130-E256 CarbonylContact C-O 3.45Å; T130-E256 WeakPolarHBondContact CA-O 3.18Å; T130-E256 VanDerWaalsContact CB-O 3.23Å; T130-E256 WeakPolarHBondContact CB-O 3.21Å; T130-E256 VanDerWaalsContact CB-OE1 3.31Å; T130-E256 WeakPolarHBondContact CB-OE1 3.28Å; T130-E256 HydrophobicContact CG2-CB 4.2Å; T130-E256 HydrophobicContact CG2-CG 4.25Å; T130-E256 PolarHBondContact OG1-OE1 2.84Å; Q131-E256 PolarHBondContact N-O 3.49Å; T132-E256 WeakPolarHBondContact CB-OE1 3.42Å; T132-E256 HydrophobicContact CG2-CG 4.35Å; T132-E256 WeakPolarHBondContact CG2-OE1 3.05Å; T132-E256 PolarHBondContact OG1-OE1 3.15Å; E254-E256 VanDerWaalsContact C-N 3.33Å; E254-E256 PolarHBondContact O-N 3.46Å
257V90.9Very high69.5Low55 Ų5592.4 Ų92.433%0.33349%0.488SS..BIsolated β-bridgetrans-76.7144-173.4-174.10000111.3K128 M185K128-V257 HydrophobicContact CB-CG1 4Å; M185-V257 HydrophobicContact CE-CG1 4.04Å; M185-V257 HydrophobicContact SD-CG1 4.2Å
258L93.7Very high72.7Confident10 Ų1084.3 Ų84.35%0.05245%0.452CS..  trans-70156.9174.8-63.4-179.7000112P129 Q131 L134 L159 A162 L180 R260P129-L258 HydrophobicContact CB-CD1 3.91Å; P129-L258 HydrophobicContact CB-CG 4.44Å; P129-L258 HydrophobicContact CG-CB 4.44Å; P129-L258 HydrophobicContact CG-CD1 4.13Å; P129-L258 WeakPolarHBondContact O-CG 3.3Å; P129-L258 PolarHBondContact O-N 2.82Å; Q131-L258 HydrophobicContact CB-CD2 4.49Å; L134-L258 HydrophobicContact CB-CD1 4.29Å; L134-L258 HydrophobicContact CB-CD2 4.33Å; L134-L258 HydrophobicContact CD1-CD1 4.39Å; L134-L258 HydrophobicContact CD2-CD2 4.11Å; L159-L258 HydrophobicContact CD2-CD2 4.22Å; A162-L258 HydrophobicContact CB-CB 3.94Å; A162-L258 HydrophobicContact CB-CD1 3.98Å; A162-L258 HydrophobicContact CB-CG 4.47Å; L180-L258 HydrophobicContact CB-CD1 3.94Å; L180-L258 HydrophobicContact CD2-CD1 4.36Å; L258-R260 PolarHBondContact O-N 3Å
259D94.1Very high76Confident77 Ų7779.9 Ų79.941%0.41243%0.427SS..  trans-46.7111.9179.7-177.9-65.1000112.9H261 R262 C263D259-H261 VanDerWaalsContact C-N 3.3Å; D259-H261 PolarHBondContact O-N 2.99Å; D259-H261 WeakPolarHBondContact OD1-CA 3.33Å; D259-H261 WeakPolarHBondContact OD1-CB 3.37Å; D259-H261 PolarHBondContact OD1-N 2.87Å; D259-R262 HydrophobicContact CB-CB 4.16Å; D259-R262 HydrophobicContact CB-CG 3.88Å; D259-R262 PolarHBondContact O-N 3.25Å; D259-R262 VanDerWaalsContact O-N 3.15Å; D259-R262 WeakPolarHBondContact OD1-CG 3.37Å; D259-R262 PolarHBondContact OD1-N 2.87Å; D259-C263 PolarHBondContact O-N 3.41Å; D259-C263 VanDerWaalsContact O-N 3.08Å
260R92.6Very high79Confident76 Ų7674.2 Ų74.229%0.28739%0.392SS..Hα-helixtrans-56-42.6-176.8178.6173.5168.6-156.1-0.9112M185 D189 E192 L258 R262 C263 L264M185-R260 HydrophobicContact CE-CB 3.96Å; M185-R260 HydrophobicContact CE-CG 4.18Å; D189-R260 IonicContact OD1-CZ 3.68Å; D189-R260 IonicContact OD1-NE 3.21Å; D189-R260 IonicContact OD1-NH2 2.74Å; D189-R260 PolarHBondContact OD1-NH2 3.14Å; E192-R260 IonicContact OE1-CZ 2.69Å; E192-R260 IonicContact OE1-NH1 3.78Å; E192-R260 PolarHBondContact OE1-NH1 3.08Å; E192-R260 IonicContact OE1-NH2 3.46Å; E192-R260 IonicContact OE2-CZ 2.7Å; E192-R260 IonicContact OE2-NH1 3.34Å; E192-R260 PolarHBondContact OE2-NH1 2.84Å; E192-R260 IonicContact OE2-NH2 3.68Å; E192-R260 PolarHBondContact OE2-NH2 3.24Å; L258-R260 PolarHBondContact O-N 3Å; R260-R262 PolarHBondContact O-N 3.3Å; R260-C263 PolarHBondContact O-N 3.48Å; R260-L264 HydrophobicContact CG-CD1 3.94Å; R260-L264 HydrophobicContact CG-CG 4.31Å; R260-L264 WeakPolarHBondContact O-CB 3.13Å; R260-L264 WeakPolarHBondContact O-CG 3.5Å; R260-L264 PolarHBondContact O-N 2.93Å
261H93.6Very high82Confident119 Ų11968.8 Ų68.855%0.55137%0.365SS*.Hα-helixtrans-63.6-41.7179.7-179.474.1000112.1D259 L264 L265D259-H261 VanDerWaalsContact C-N 3.3Å; D259-H261 PolarHBondContact O-N 2.99Å; D259-H261 WeakPolarHBondContact OD1-CA 3.33Å; D259-H261 WeakPolarHBondContact OD1-CB 3.37Å; D259-H261 PolarHBondContact OD1-N 2.87Å; H261-L264 PolarHBondContact O-N 3.36Å; H261-L265 WeakPolarHBondContact NE2-CD1 3.44Å; H261-L265 WeakPolarHBondContact O-CB 3.42Å; H261-L265 VanDerWaalsContact O-CG 3.31Å; H261-L265 WeakPolarHBondContact O-CG 3.19Å; H261-L265 PolarHBondContact O-N 2.99Å
262R95.4Very high85.1Confident92 Ų9265.6 Ų65.635%0.34733%0.334SS..Hα-helixtrans-62.8-42.4173.6-64.3-56.9-167.5-168.6-0.4112.2P160 A162 D259 R260 L265 A266P160-R262 PolarHBondContact O-NE 2.99Å; P160-R262 PolarHBondContact O-NH2 3.42Å; A162-R262 HydrophobicContact CB-CB 3.69Å; A162-R262 HydrophobicContact CB-CG 4.42Å; D259-R262 HydrophobicContact CB-CB 4.16Å; D259-R262 HydrophobicContact CB-CG 3.88Å; D259-R262 PolarHBondContact O-N 3.25Å; D259-R262 VanDerWaalsContact O-N 3.15Å; D259-R262 WeakPolarHBondContact OD1-CG 3.37Å; D259-R262 PolarHBondContact OD1-N 2.87Å; R260-R262 PolarHBondContact O-N 3.3Å; R262-L265 PolarHBondContact O-N 3.49Å; R262-A266 PolarHBondContact O-N 3.05Å; R262-A266 VanDerWaalsContact O-N 3.09Å
263C96.1Very high88.1Confident0 Ų057.3 Ų57.30%030%0.296CS..Hα-helixtrans-66.5-41.3178.1-68.30000112.3L180 T181 M185 D259 R260 A266 L267L180-C263 PolarHBondContact O-SG 3.43Å; T181-C263 WeakPolarHBondContact OG1-CB 3.46Å; T181-C263 PolarHBondContact OG1-O 2.82Å; M185-C263 HydrophobicContact CB-CB 4.29Å; M185-C263 HydrophobicContact CE-CB 3.84Å; M185-C263 HydrophobicContact CG-CB 3.91Å; D259-C263 PolarHBondContact O-N 3.41Å; D259-C263 VanDerWaalsContact O-N 3.08Å; R260-C263 PolarHBondContact O-N 3.48Å; C263-A266 WeakPolarHBondContact O-CB 3.32Å; C263-A266 PolarHBondContact O-N 2.92Å; C263-L267 PolarHBondContact O-N 3.01Å; C263-L267 VanDerWaalsContact O-N 3.08Å
264L95.1Very high90.7Very high35 Ų3554.5 Ų54.518%0.18328%0.281CS..Hα-helixtrans-63.5-42.2173.9-74.1174.4000111.9M185 R186 R260 H261 A266 L267 A268M185-L264 WeakPolarHBondContact O-CD2 3.25Å; R186-L264 HydrophobicContact CB-CD2 4.19Å; R186-L264 HydrophobicContact CG-CD2 4.13Å; R260-L264 HydrophobicContact CG-CD1 3.94Å; R260-L264 HydrophobicContact CG-CG 4.31Å; R260-L264 WeakPolarHBondContact O-CB 3.13Å; R260-L264 WeakPolarHBondContact O-CG 3.5Å; R260-L264 PolarHBondContact O-N 2.93Å; H261-L264 PolarHBondContact O-N 3.36Å; L264-A266 VanDerWaalsContact C-N 3.27Å; L264-A266 PolarHBondContact O-N 3.04Å; L264-L267 HydrophobicContact CD2-CD1 4.39Å; L264-L267 PolarHBondContact O-N 3.39Å; L264-L267 VanDerWaalsContact O-N 3.13Å; L264-A268 PolarHBondContact O-N 2.66Å
265L95.4Very high93.2Very high85 Ų8548 Ų4845%0.44525%0.249SC..Hα-helixtrans-60.1-35.4172.9-74.9177000112.6H261 R262 A268 A269H261-L265 WeakPolarHBondContact NE2-CD1 3.44Å; H261-L265 WeakPolarHBondContact O-CB 3.42Å; H261-L265 VanDerWaalsContact O-CG 3.31Å; H261-L265 WeakPolarHBondContact O-CG 3.19Å; H261-L265 PolarHBondContact O-N 2.99Å; R262-L265 PolarHBondContact O-N 3.49Å; L265-A268 PolarHBondContact O-N 2.74Å; L265-A269 WeakPolarHBondContact O-CB 3.38Å; L265-A269 PolarHBondContact O-N 2.94Å
266A97.2Very high95.3Very high6 Ų644.3 Ų44.35%0.0521%0.211CC..Hα-helixtrans-67.6-39.817400000112.3V122 T179 T181 R262 C263 L264 A269 L270V122-A266 HydrophobicContact CG1-CB 4.37Å; V122-A266 HydrophobicContact CG2-CB 4.03Å; T179-A266 HydrophobicContact CG2-CB 3.84Å; T181-A266 HydrophobicContact CG2-CB 4.13Å; R262-A266 PolarHBondContact O-N 3.05Å; R262-A266 VanDerWaalsContact O-N 3.09Å; C263-A266 WeakPolarHBondContact O-CB 3.32Å; C263-A266 PolarHBondContact O-N 2.92Å; L264-A266 VanDerWaalsContact C-N 3.27Å; L264-A266 PolarHBondContact O-N 3.04Å; A266-A269 PolarHBondContact O-N 2.9Å; A266-L270 WeakPolarHBondContact O-CB 3.06Å; A266-L270 PolarHBondContact O-N 2.82Å
267L96.6Very high96Very high18 Ų1844.9 Ų44.99%0.09421%0.214CC..Hα-helixtrans-66.1-39.9173-67.4174.4000112.1M124 T181 M185 R186 C263 L264 L270 R271M124-L267 HydrophobicContact CE-CD2 4.11Å; T181-L267 HydrophobicContact CG2-CD2 3.65Å; T181-L267 HydrophobicContact CG2-CG 3.98Å; T181-L267 WeakPolarHBondContact OG1-CG 3.27Å; M185-L267 HydrophobicContact CB-CD1 4.43Å; R186-L267 HydrophobicContact CB-CD1 4.37Å; C263-L267 PolarHBondContact O-N 3.01Å; C263-L267 VanDerWaalsContact O-N 3.08Å; L264-L267 HydrophobicContact CD2-CD1 4.39Å; L264-L267 PolarHBondContact O-N 3.39Å; L264-L267 VanDerWaalsContact O-N 3.13Å; L267-L270 WeakPolarHBondContact O-CB 3.36Å; L267-L270 PolarHBondContact O-N 3.35Å; L267-R271 WeakPolarHBondContact O-CG 3.03Å; L267-R271 PolarHBondContact O-N 3.17Å; L267-R271 PolarHBondContact O-NE 2.77Å
268A96.2Very high96.2Very high11 Ų1146.1 Ų46.19%0.09123%0.231CC..Hα-helixtrans-60.9-49.117200000110.9L264 L265 L270 R271 H272L264-A268 PolarHBondContact O-N 2.66Å; L265-A268 PolarHBondContact O-N 2.74Å; A268-L270 PolarHBondContact O-N 2.96Å; A268-R271 PolarHBondContact O-N 3.47Å; A268-H272 PolarHBondContact O-CD2 3.49Å; A268-H272 VanDerWaalsContact O-CD2 3.24Å; A268-H272 PolarHBondContact O-N 3.25Å; A268-H272 PolarHBondContact O-ND1 2.88Å
269A97.6Very high96.4Very high21 Ų2151.8 Ų51.817%0.17425%0.251CS..Hα-helixtrans-57.4-35.7175.500000113V104 L265 A266 A273V104-A269 HydrophobicContact CB-CB 4.39Å; V104-A269 HydrophobicContact CG2-CB 4.41Å; L265-A269 WeakPolarHBondContact O-CB 3.38Å; L265-A269 PolarHBondContact O-N 2.94Å; A266-A269 PolarHBondContact O-N 2.9Å; A269-A273 WeakPolarHBondContact O-CB 3.48Å; A269-A273 PolarHBondContact O-N 2.89Å
270L97.3Very high96.5Very high11 Ų1148.1 Ų48.16%0.05823%0.232CC..Hα-helixtrans-68.4-44.2173.7-179.262.6000112.5M102 V104 M124 A266 L267 A268 A273 K274M102-L270 HydrophobicContact CB-CD1 3.78Å; M102-L270 HydrophobicContact CE-CD1 3.78Å; M102-L270 HydrophobicContact CG-CD1 4.22Å; M102-L270 HydrophobicContact SD-CD1 3.51Å; M102-L270 VanDerWaalsContact SD-CD1 3.51Å; M102-L270 HydrophobicContact SD-CD2 3.83Å; M102-L270 HydrophobicContact SD-CG 4.29Å; V104-L270 HydrophobicContact CG1-CB 4.25Å; V104-L270 HydrophobicContact CG1-CD1 4.1Å; M124-L270 HydrophobicContact SD-CD2 3.82Å; A266-L270 WeakPolarHBondContact O-CB 3.06Å; A266-L270 PolarHBondContact O-N 2.82Å; L267-L270 WeakPolarHBondContact O-CB 3.36Å; L267-L270 PolarHBondContact O-N 3.35Å; A268-L270 PolarHBondContact O-N 2.96Å; L270-A273 PolarHBondContact O-N 3.45Å; L270-K274 WeakPolarHBondContact O-CG 3.22Å; L270-K274 PolarHBondContact O-N 3.47Å
271R97.6Very high96.4Very high51 Ų5148.6 Ų48.619%0.19224%0.24CC..Hα-helixtrans-60.8-45173.6-70.9179.7-75.3165.9-5.2110.9L267 A268 A273 K274 W275 C355 E356L267-R271 WeakPolarHBondContact O-CG 3.03Å; L267-R271 PolarHBondContact O-N 3.17Å; L267-R271 PolarHBondContact O-NE 2.77Å; A268-R271 PolarHBondContact O-N 3.47Å; R271-A273 VanDerWaalsContact C-N 3.33Å; R271-A273 PolarHBondContact O-N 3.41Å; R271-K274 PolarHBondContact O-N 2.81Å; R271-W275 WeakPolarHBondContact O-CB 3.26Å; R271-W275 PolarHBondContact O-N 3.17Å; R271-C355 HydrophobicContact CB-CB 3.91Å; R271-C355 WeakPolarHBondContact CD-O 3.36Å; R271-C355 PolarHBondContact NH1-O 3.37Å; R271-E356 IonicContact CZ-OE1 3.27Å; R271-E356 IonicContact CZ-OE2 3.64Å; R271-E356 IonicContact NH1-OE1 2.8Å; R271-E356 PolarHBondContact NH1-OE1 3.04Å; R271-E356 IonicContact NH1-OE2 3.23Å; R271-E356 PolarHBondContact NH1-OE2 2.97Å; R271-E356 VanDerWaalsContact NH2-CD 3.29Å; R271-E356 IonicContact NH2-OE1 3.39Å; R271-E356 PolarHBondContact NH2-OE1 3.46Å; R271-E356 IonicContact NH2-OE2 3.49Å; R271-E356 PolarHBondContact NH2-OE2 3.01Å
272H98Very high96.3Very high25 Ų2546.4 Ų46.412%0.11625%0.249CC..Hα-helixtrans-58-42.2174.6-60165.5000112A268 F276 W309 D353A268-H272 PolarHBondContact O-CD2 3.49Å; A268-H272 VanDerWaalsContact O-CD2 3.24Å; A268-H272 PolarHBondContact O-N 3.25Å; A268-H272 PolarHBondContact O-ND1 2.88Å; H272-F276 WeakPolarHBondContact O-CB 3.25Å; H272-F276 PolarHBondContact O-N 3.43Å; H272-W309 HydrophobicContact CB-CD2 4.39Å; H272-W309 HydrophobicContact CB-CE3 3.99Å; H272-W309 HydrophobicContact CB-CH2 3.92Å; H272-W309 HydrophobicContact CB-CZ2 4.32Å; H272-W309 HydrophobicContact CB-CZ3 3.75Å; H272-W309 AromaticContact CD2-CD2 3.91Å; H272-W309 AromaticContact CD2-CE2 3.34Å; H272-W309 AromaticContact CD2-CH2 3.72Å; H272-W309 AromaticContact CD2-CZ2 3.24Å; H272-W309 WeakPolarHBondContact CD2-CZ2 3.37Å; H272-W309 AromaticContact CD2-NE1 3.7Å; H272-W309 AromaticContact CE1-CD1 3.67Å; H272-W309 AromaticContact CE1-CE2 3.87Å; H272-W309 AromaticContact CE1-CG 3.9Å; H272-W309 AromaticContact CE1-NE1 3.64Å; H272-W309 AromaticContact CG-CD2 3.81Å; H272-W309 AromaticContact CG-CE2 3.74Å; H272-W309 AromaticContact CG-CE3 3.93Å; H272-W309 AromaticContact CG-CH2 3.94Å; H272-W309 AromaticContact CG-CZ2 3.82Å; H272-W309 AromaticContact CG-CZ3 4Å; H272-W309 AromaticContact ND1-CD2 3.88Å; H272-W309 AromaticContact NE2-CD1 3.8Å; H272-W309 AromaticContact NE2-CE2 3.46Å; H272-W309 AromaticContact NE2-CZ2 3.78Å; H272-W309 AromaticContact NE2-NE1 3.28Å; H272-W309 PolarHBondContact NE2-NE1 3.35Å; H272-D353 IonicContact NE2-OD2 3.08Å
273A97.9Very high96.3Very high3 Ų344 Ų443%0.02524%0.243CC..Hα-helixtrans-64.7-46.4176.900000112.3V104 A108 A269 L270 R271 F276 Q277V104-A273 HydrophobicContact CG1-CB 4.49Å; A108-A273 HydrophobicContact CB-CB 4.1Å; A269-A273 WeakPolarHBondContact O-CB 3.48Å; A269-A273 PolarHBondContact O-N 2.89Å; L270-A273 PolarHBondContact O-N 3.45Å; R271-A273 VanDerWaalsContact C-N 3.33Å; R271-A273 PolarHBondContact O-N 3.41Å; A273-F276 PolarHBondContact O-N 2.85Å; A273-Q277 WeakPolarHBondContact O-CG 3.49Å; A273-Q277 PolarHBondContact O-N 3.05Å
274K97.2Very high96.2Very high113 Ų11349.8 Ų49.849%0.49127%0.268SS..Hα-helixtrans-61.3-47.4175.9-70.9175.1179.9176.20111.5L270 R271 F276 Q277 A278L270-K274 WeakPolarHBondContact O-CG 3.22Å; L270-K274 PolarHBondContact O-N 3.47Å; R271-K274 PolarHBondContact O-N 2.81Å; K274-F276 PolarHBondContact O-N 3.32Å; K274-Q277 PolarHBondContact O-N 3.38Å; K274-A278 PolarHBondContact O-N 2.93Å
275W98.1Very high96.3Very high34 Ų3449 Ų4913%0.12927%0.266CS..Hα-helixtrans-58.7-46.5175.617999.5000111.5R271 Q277 A278 R279 V280 W309 L313 E316 P354 C355R271-W275 WeakPolarHBondContact O-CB 3.26Å; R271-W275 PolarHBondContact O-N 3.17Å; W275-Q277 VanDerWaalsContact C-N 3.32Å; W275-Q277 PolarHBondContact O-N 3.05Å; W275-A278 PolarHBondContact O-N 3.35Å; W275-R279 HydrophobicContact CD2-CB 4.07Å; W275-R279 HydrophobicContact CD2-CG 3.92Å; W275-R279 HydrophobicContact CE3-CB 4.33Å; W275-R279 HydrophobicContact CG-CG 4.07Å; W275-R279 HydrophobicContact CH2-CB 4.3Å; W275-R279 HydrophobicContact CZ2-CB 4.01Å; W275-R279 HydrophobicContact CZ2-CG 4.14Å; W275-R279 HydrophobicContact CZ3-CB 4.46Å; W275-R279 VanDerWaalsContact O-CB 3.23Å; W275-R279 WeakPolarHBondContact O-CB 3.29Å; W275-R279 VanDerWaalsContact O-CG 3.29Å; W275-R279 WeakPolarHBondContact O-CG 3.29Å; W275-R279 PolarHBondContact O-N 3.16Å; W275-V280 HydrophobicContact CE3-CG2 4.41Å; W275-V280 HydrophobicContact CH2-CG2 4.1Å; W275-V280 HydrophobicContact CZ3-CG2 3.63Å; W275-W309 HydrophobicContact CB-CH2 4.32Å; W275-W309 AromaticContact CD2-CH2 3.69Å; W275-W309 HydrophobicContact CD2-CH2 3.69Å; W275-W309 HydrophobicContact CD2-CZ3 4.39Å; W275-W309 AromaticContact CE3-CH2 3.35Å; W275-W309 HydrophobicContact CE3-CH2 3.35Å; W275-W309 AromaticContact CE3-CZ3 3.6Å; W275-W309 HydrophobicContact CE3-CZ3 3.6Å; W275-W309 HydrophobicContact CG-CH2 4.1Å; W275-W309 AromaticContact CZ3-CH2 3.87Å; W275-W309 HydrophobicContact CZ3-CH2 3.87Å; W275-W309 AromaticContact CZ3-CZ3 3.84Å; W275-W309 HydrophobicContact CZ3-CZ3 3.84Å; W275-L313 HydrophobicContact CH2-CD2 3.54Å; W275-L313 HydrophobicContact CZ2-CD2 3.67Å; W275-L313 HydrophobicContact CZ3-CD2 4.01Å; W275-E316 HydrophobicContact CH2-CB 3.54Å; W275-E316 HydrophobicContact CH2-CG 3.55Å; W275-E316 HydrophobicContact CZ2-CB 4.28Å; W275-E316 HydrophobicContact CZ2-CG 3.93Å; W275-E316 HydrophobicContact CZ3-CB 4.43Å; W275-E316 HydrophobicContact CZ3-CG 4.47Å; W275-P354 HydrophobicContact CD2-CG 4.29Å; W275-P354 HydrophobicContact CG-CG 4.38Å; W275-P354 HydrophobicContact CZ2-CG 4Å; W275-C355 VanDerWaalsContact CB-SG 3.55Å
276F98.4Very high96.4Very high0 Ų045 Ų450%025%0.245CC..Hα-helixtrans-60.9-42.6-179.5-169.9-80.5000111.7K109 L111 H272 A273 K274 R279 V280 N281 V287 L290 E312K109-F276 HydrophobicContact CB-CD1 3.69Å; K109-F276 HydrophobicContact CB-CD2 4.28Å; K109-F276 HydrophobicContact CB-CE1 3.71Å; K109-F276 HydrophobicContact CB-CE2 4.28Å; K109-F276 HydrophobicContact CB-CG 3.98Å; K109-F276 HydrophobicContact CB-CZ 4Å; K109-F276 HydrophobicContact CD-CB 4.28Å; K109-F276 HydrophobicContact CD-CD2 3.89Å; K109-F276 HydrophobicContact CD-CE2 4.33Å; K109-F276 HydrophobicContact CD-CG 4Å; K109-F276 HydrophobicContact CG-CB 3.96Å; K109-F276 HydrophobicContact CG-CD1 3.84Å; K109-F276 HydrophobicContact CG-CD2 4.06Å; K109-F276 HydrophobicContact CG-CE1 4.35Å; K109-F276 HydrophobicContact CG-CG 3.68Å; K109-F276 WeakPolarHBondContact O-CE1 3.39Å; L111-F276 HydrophobicContact CD1-CE2 3.78Å; L111-F276 HydrophobicContact CD1-CZ 3.83Å; L111-F276 HydrophobicContact CD2-CZ 3.99Å; L111-F276 HydrophobicContact CG-CE2 4.36Å; L111-F276 HydrophobicContact CG-CZ 3.89Å; H272-F276 WeakPolarHBondContact O-CB 3.25Å; H272-F276 PolarHBondContact O-N 3.43Å; A273-F276 PolarHBondContact O-N 2.85Å; K274-F276 PolarHBondContact O-N 3.32Å; F276-R279 PolarHBondContact O-N 2.91Å; F276-V280 HydrophobicContact CD1-CB 3.96Å; F276-V280 HydrophobicContact CD1-CG1 4.36Å; F276-V280 HydrophobicContact CD2-CB 3.92Å; F276-V280 HydrophobicContact CD2-CG1 4.25Å; F276-V280 HydrophobicContact CD2-CG2 3.75Å; F276-V280 HydrophobicContact CE1-CB 3.88Å; F276-V280 HydrophobicContact CE1-CG1 3.77Å; F276-V280 HydrophobicContact CE2-CB 3.87Å; F276-V280 HydrophobicContact CE2-CG1 3.66Å; F276-V280 HydrophobicContact CE2-CG2 3.91Å; F276-V280 HydrophobicContact CG-CB 3.98Å; F276-V280 HydrophobicContact CG-CG2 4.14Å; F276-V280 HydrophobicContact CZ-CB 3.85Å; F276-V280 HydrophobicContact CZ-CG1 3.39Å; F276-V280 HydrophobicContact CZ-CG2 4.41Å; F276-V280 WeakPolarHBondContact O-CA 3.3Å; F276-V280 WeakPolarHBondContact O-CB 3.38Å; F276-V280 PolarHBondContact O-N 3.04Å; F276-N281 PolarHBondContact O-N 3.4Å; F276-V287 HydrophobicContact CE1-CG2 4.32Å; F276-V287 HydrophobicContact CZ-CG2 4.37Å; F276-L290 HydrophobicContact CE2-CD1 3.55Å; F276-L290 HydrophobicContact CZ-CD1 3.68Å; F276-E312 HydrophobicContact CD2-CG 4.36Å; F276-E312 VanDerWaalsContact CD2-OE2 3.25Å; F276-E312 WeakPolarHBondContact CD2-OE2 3.35Å; F276-E312 HydrophobicContact CE2-CB 4.49Å; F276-E312 HydrophobicContact CE2-CG 4.09Å
277Q96.4Very high96.5Very high100 Ų10046.1 Ų46.147%0.46725%0.251SS..Hα-helixtrans-63.6-42.2176.2-70.8175.52.200112.1A108 A273 K274 W275A108-Q277 PolarHBondContact O-NE2 3.4Å; A273-Q277 WeakPolarHBondContact O-CG 3.49Å; A273-Q277 PolarHBondContact O-N 3.05Å; K274-Q277 PolarHBondContact O-N 3.38Å; W275-Q277 VanDerWaalsContact C-N 3.32Å; W275-Q277 PolarHBondContact O-N 3.05Å
278A96.7Very high96.6Very high82 Ų8247 Ų4768%0.67826%0.256SS*.Hα-helixtrans-71.7-34.7178.500000113.8K274 W275K274-A278 PolarHBondContact O-N 2.93Å; W275-A278 PolarHBondContact O-N 3.35Å
279R96.6Very high96.7Very high129 Ų12946.5 Ų46.549%0.48725%0.251SS..Hα-helixtrans-106.4-40.2-167.6-61.4-59-57.3-143.1-8.6114.3W275 F276 L283 E316W275-R279 HydrophobicContact CD2-CB 4.07Å; W275-R279 HydrophobicContact CD2-CG 3.92Å; W275-R279 HydrophobicContact CE3-CB 4.33Å; W275-R279 HydrophobicContact CG-CG 4.07Å; W275-R279 HydrophobicContact CH2-CB 4.3Å; W275-R279 HydrophobicContact CZ2-CB 4.01Å; W275-R279 HydrophobicContact CZ2-CG 4.14Å; W275-R279 HydrophobicContact CZ3-CB 4.46Å; W275-R279 VanDerWaalsContact O-CB 3.23Å; W275-R279 WeakPolarHBondContact O-CB 3.29Å; W275-R279 VanDerWaalsContact O-CG 3.29Å; W275-R279 WeakPolarHBondContact O-CG 3.29Å; W275-R279 PolarHBondContact O-N 3.16Å; F276-R279 PolarHBondContact O-N 2.91Å; R279-L283 WeakPolarHBondContact O-CD1 3.42Å; R279-L283 WeakPolarHBondContact O-CG 3.43Å; R279-E316 HydrophobicContact CB-CG 4.22Å; R279-E316 IonicContact CZ-OE1 2.83Å; R279-E316 IonicContact NE-OE1 2.68Å; R279-E316 PolarHBondContact NE-OE1 3.37Å; R279-E316 VanDerWaalsContact NE-OE1 3.08Å; R279-E316 IonicContact NH2-OE1 3.25Å; R279-E316 PolarHBondContact NH2-OE1 3.4Å
280V96.9Very high96.7Very high0 Ų045.6 Ų45.60%024%0.244CC..THydrogen-bonded Turntrans-96.5-38.8-170.8-1800000112.6W275 F276 G282 L283 C286 V287 L290 E316W275-V280 HydrophobicContact CE3-CG2 4.41Å; W275-V280 HydrophobicContact CH2-CG2 4.1Å; W275-V280 HydrophobicContact CZ3-CG2 3.63Å; F276-V280 HydrophobicContact CD1-CB 3.96Å; F276-V280 HydrophobicContact CD1-CG1 4.36Å; F276-V280 HydrophobicContact CD2-CB 3.92Å; F276-V280 HydrophobicContact CD2-CG1 4.25Å; F276-V280 HydrophobicContact CD2-CG2 3.75Å; F276-V280 HydrophobicContact CE1-CB 3.88Å; F276-V280 HydrophobicContact CE1-CG1 3.77Å; F276-V280 HydrophobicContact CE2-CB 3.87Å; F276-V280 HydrophobicContact CE2-CG1 3.66Å; F276-V280 HydrophobicContact CE2-CG2 3.91Å; F276-V280 HydrophobicContact CG-CB 3.98Å; F276-V280 HydrophobicContact CG-CG2 4.14Å; F276-V280 HydrophobicContact CZ-CB 3.85Å; F276-V280 HydrophobicContact CZ-CG1 3.39Å; F276-V280 HydrophobicContact CZ-CG2 4.41Å; F276-V280 WeakPolarHBondContact O-CA 3.3Å; F276-V280 WeakPolarHBondContact O-CB 3.38Å; F276-V280 PolarHBondContact O-N 3.04Å; V280-G282 PolarHBondContact O-N 3.04Å; V280-L283 WeakPolarHBondContact O-CB 3.23Å; V280-L283 PolarHBondContact O-N 3.28Å; V280-C286 HydrophobicContact CG1-CB 3.96Å; V280-V287 HydrophobicContact CG1-CG2 4.11Å; V280-L290 HydrophobicContact CG1-CD1 3.87Å; V280-E316 HydrophobicContact CG2-CB 4.08Å; V280-E316 HydrophobicContact CG2-CG 3.98Å
281N90.9Very high96.8Very high85 Ų8546.3 Ų46.346%0.45525%0.245SC..THydrogen-bonded Turntrans-61.8-30.7-176.3-76.8-11.1000113.5F276 L283F276-N281 PolarHBondContact O-N 3.4Å; N281-L283 VanDerWaalsContact C-N 3.33Å
282G90.4Very high96.8Very high73 Ų7343.9 Ų43.975%0.75324%0.236SC*.THydrogen-bonded Turntrans-74.9-16.6173.700000114.7V280 K284V280-G282 PolarHBondContact O-N 3.04Å; G282-K284 PolarHBondContact O-N 3.39Å
283L94.9Very high96.8Very high43 Ų4342.8 Ų42.823%0.22523%0.232CC..SBendtrans-86.4107.8-175-67175.6000111.6R279 V280 N281 S285 C286 E316 I319 A320R279-L283 WeakPolarHBondContact O-CD1 3.42Å; R279-L283 WeakPolarHBondContact O-CG 3.43Å; V280-L283 WeakPolarHBondContact O-CB 3.23Å; V280-L283 PolarHBondContact O-N 3.28Å; N281-L283 VanDerWaalsContact C-N 3.33Å; L283-S285 PolarHBondContact O-N 3.28Å; L283-C286 HydrophobicContact CB-CB 3.68Å; L283-C286 VanDerWaalsContact O-CB 3.3Å; L283-C286 WeakPolarHBondContact O-CB 3.25Å; L283-C286 PolarHBondContact O-N 3.2Å; L283-E316 HydrophobicContact CD1-CG 3.78Å; L283-I319 HydrophobicContact CB-CG2 4.45Å; L283-A320 HydrophobicContact CD1-CB 3.91Å; L283-A320 HydrophobicContact CD2-CB 4.23Å
284K95.8Very high96.8Very high120 Ų12043.7 Ų43.752%0.52223%0.234SC..THydrogen-bonded Turntrans-50.1126.9178-173.2-173.6173.4-142.80111.6G282 C286 P325 L326G282-K284 PolarHBondContact O-N 3.39Å; K284-C286 PolarHBondContact O-N 3.21Å; K284-P325 HydrophobicContact CB-CB 4.19Å; K284-P325 HydrophobicContact CD-CB 3.66Å; K284-L326 WeakPolarHBondContact CD-O 3.45Å; K284-L326 VanDerWaalsContact CE-O 3.28Å; K284-L326 WeakPolarHBondContact CE-O 3.34Å; K284-L326 PolarHBondContact NZ-O 3.33Å
285S96.7Very high96.8Very high20 Ų2039.1 Ų39.114%0.1422%0.215CC..THydrogen-bonded Turntrans68.6-3.5-179.3-61.80000116.6L283 I288 V289L283-S285 PolarHBondContact O-N 3.28Å; S285-I288 PolarHBondContact O-N 3.1Å; S285-V289 WeakPolarHBondContact O-CG2 3.46Å; S285-V289 PolarHBondContact O-N 3.35Å
286C98Very high96.8Very high0 Ų037.7 Ų37.70%021%0.21CC..Hα-helixtrans-61.9-52-178.3-162.20000112.3V280 L283 K284 I288 V289 L290 C315 I319V280-C286 HydrophobicContact CG1-CB 3.96Å; L283-C286 HydrophobicContact CB-CB 3.68Å; L283-C286 VanDerWaalsContact O-CB 3.3Å; L283-C286 WeakPolarHBondContact O-CB 3.25Å; L283-C286 PolarHBondContact O-N 3.2Å; K284-C286 PolarHBondContact O-N 3.21Å; C286-I288 VanDerWaalsContact C-N 3.26Å; C286-I288 PolarHBondContact O-N 3.35Å; C286-V289 PolarHBondContact O-N 3.49Å; C286-V289 VanDerWaalsContact O-N 3.09Å; C286-L290 WeakPolarHBondContact O-CG 3.18Å; C286-L290 PolarHBondContact O-N 3.33Å; C286-C315 VanDerWaalsContact SG-SG 3.7Å; C286-I319 HydrophobicContact CB-CD1 3.99Å
287V98.2Very high96.7Very high29 Ų2938 Ų3818%0.17621%0.212CC..Hα-helixtrans-58.3-34.9176.9-176.40000112.8L111 F276 V280 R291L111-V287 HydrophobicContact CD2-CG1 4.09Å; F276-V287 HydrophobicContact CE1-CG2 4.32Å; F276-V287 HydrophobicContact CZ-CG2 4.37Å; V280-V287 HydrophobicContact CG1-CG2 4.11Å; V287-R291 PolarHBondContact O-N 2.86Å
288I98.2Very high96.7Very high37 Ų3736.8 Ų36.819%0.1921%0.209CC..Hα-helixtrans-68.2-45.5176.5-65.6170.4000110.3V14 M15 H18 S285 C286 I292 A328V14-I288 HydrophobicContact CG1-CG2 4.25Å; M15-I288 HydrophobicContact CE-CD1 4.21Å; M15-I288 HydrophobicContact SD-CD1 4.01Å; M15-I288 HydrophobicContact SD-CG2 4.13Å; H18-I288 HydrophobicContact CB-CG2 4.13Å; S285-I288 PolarHBondContact O-N 3.1Å; C286-I288 VanDerWaalsContact C-N 3.26Å; C286-I288 PolarHBondContact O-N 3.35Å; I288-I292 VanDerWaalsContact O-CG1 3.26Å; I288-I292 WeakPolarHBondContact O-CG1 3.41Å; I288-I292 PolarHBondContact O-N 2.89Å; I288-A328 HydrophobicContact CG2-CB 4.3Å
289V98.4Very high96.5Very high0 Ų036.1 Ų36.10%019%0.189CC..Hα-helixtrans-66.5-38.6178.3171.80000111.1S285 C286 I292 L293 A331 L332 V335S285-V289 WeakPolarHBondContact O-CG2 3.46Å; S285-V289 PolarHBondContact O-N 3.35Å; C286-V289 PolarHBondContact O-N 3.49Å; C286-V289 VanDerWaalsContact O-N 3.09Å; V289-I292 WeakPolarHBondContact O-CB 3.33Å; V289-I292 PolarHBondContact O-N 3.3Å; V289-L293 HydrophobicContact CG1-CD1 3.64Å; V289-L293 HydrophobicContact CG1-CG 4.21Å; V289-L293 WeakPolarHBondContact O-CG 3.3Å; V289-L293 PolarHBondContact O-N 2.91Å; V289-A331 HydrophobicContact CG2-CB 3.74Å; V289-L332 HydrophobicContact CG1-CB 4.24Å; V289-L332 HydrophobicContact CG1-CD1 3.98Å; V289-L332 HydrophobicContact CG2-CB 4.09Å; V289-V335 HydrophobicContact CG1-CG2 3.98Å
290L98.5Very high96.5Very high3 Ų332.3 Ų32.32%0.01618%0.176CC..Hα-helixtrans-60.1-47.6175.4-77.4169.3000112.8L111 F276 V280 C286 I292 L293 R294 L311 E312 C315L111-L290 HydrophobicContact CD2-CB 3.55Å; L111-L290 HydrophobicContact CD2-CD1 4.05Å; L111-L290 HydrophobicContact CD2-CG 4.44Å; F276-L290 HydrophobicContact CE2-CD1 3.55Å; F276-L290 HydrophobicContact CZ-CD1 3.68Å; V280-L290 HydrophobicContact CG1-CD1 3.87Å; C286-L290 WeakPolarHBondContact O-CG 3.18Å; C286-L290 PolarHBondContact O-N 3.33Å; L290-I292 VanDerWaalsContact C-N 3.29Å; L290-I292 PolarHBondContact O-N 3.48Å; L290-L293 PolarHBondContact O-N 3.2Å; L290-R294 PolarHBondContact O-N 2.82Å; L290-L311 HydrophobicContact CD2-CG 4.07Å; L290-E312 HydrophobicContact CD2-CG 4.3Å; L290-C315 HydrophobicContact CD2-CB 3.44Å; L290-C315 VanDerWaalsContact CD2-CB 3.44Å; L290-C315 HydrophobicContact CG-CB 3.94Å
291R98.4Very high96.4Very high25 Ų2537.5 Ų37.59%0.09421%0.21CC..Hα-helixtrans-57.3-42.2174-75.8-178.2172.9117.2-6.1112.6I21 G110 L111 L112 I113 V287 R294 D295I21-R291 HydrophobicContact CD1-CB 4.28Å; I21-R291 WeakPolarHBondContact CD1-O 3.25Å; G110-R291 PolarHBondContact O-NH2 2.9Å; L111-R291 HydrophobicContact CD2-CG 4.43Å; L112-R291 PolarHBondContact O-NE 3.2Å; I113-R291 HydrophobicContact CG2-CB 3.88Å; I113-R291 HydrophobicContact CG2-CG 3.87Å; V287-R291 PolarHBondContact O-N 2.86Å; R291-R294 PolarHBondContact O-N 3.45Å; R291-D295 PolarHBondContact O-N 2.96Å
292I98.4Very high96.6Very high0 Ų038 Ų380%021%0.211CC..Hα-helixtrans-63.1-43.8177.5-67.2-77.7000111.3V14 K17 H18 I21 I288 V289 L290 D295 M296 L332 L394V14-I292 HydrophobicContact CG1-CD1 4.42Å; V14-I292 HydrophobicContact CG1-CG1 4.1Å; K17-I292 HydrophobicContact CB-CD1 3.72Å; K17-I292 HydrophobicContact CG-CD1 3.48Å; K17-I292 VanDerWaalsContact CG-CD1 3.48Å; H18-I292 HydrophobicContact CB-CD1 4.08Å; H18-I292 HydrophobicContact CB-CG1 4.48Å; I21-I292 HydrophobicContact CD1-CD1 4.01Å; I21-I292 HydrophobicContact CD1-CG1 4.46Å; I288-I292 VanDerWaalsContact O-CG1 3.26Å; I288-I292 WeakPolarHBondContact O-CG1 3.41Å; I288-I292 PolarHBondContact O-N 2.89Å; V289-I292 WeakPolarHBondContact O-CB 3.33Å; V289-I292 PolarHBondContact O-N 3.3Å; L290-I292 VanDerWaalsContact C-N 3.29Å; L290-I292 PolarHBondContact O-N 3.48Å; I292-D295 PolarHBondContact O-N 2.63Å; I292-M296 WeakPolarHBondContact O-CG 3.47Å; I292-M296 PolarHBondContact O-N 3.43Å; I292-L332 HydrophobicContact CG2-CD1 4.21Å; I292-L332 HydrophobicContact CG2-CD2 4.15Å; I292-L394 HydrophobicContact CG2-CD2 3.52Å
293L98.3Very high96.9Very high3 Ų335.4 Ų35.42%0.01618%0.179CC..Hα-helixtrans-71.3-36.7179.2-66.8169.9000111.5V289 L290 D295 M296 C297 L311 L332 V335 M336V289-L293 HydrophobicContact CG1-CD1 3.64Å; V289-L293 HydrophobicContact CG1-CG 4.21Å; V289-L293 WeakPolarHBondContact O-CG 3.3Å; V289-L293 PolarHBondContact O-N 2.91Å; L290-L293 PolarHBondContact O-N 3.2Å; L293-D295 PolarHBondContact O-N 2.86Å; L293-M296 HydrophobicContact CD2-SD 3.99Å; L293-M296 CarbonylContact O-C 3.59Å; L293-M296 WeakPolarHBondContact O-CA 3.35Å; L293-M296 WeakPolarHBondContact O-CB 3.24Å; L293-M296 PolarHBondContact O-N 3.04Å; L293-C297 PolarHBondContact O-N 3.46Å; L293-C297 PolarHBondContact O-SG 3.05Å; L293-L311 HydrophobicContact CB-CD1 3.65Å; L293-L311 HydrophobicContact CB-CD2 3.82Å; L293-L311 HydrophobicContact CB-CG 4.28Å; L293-L311 HydrophobicContact CD1-CD1 3.7Å; L293-L311 HydrophobicContact CG-CD1 4.24Å; L293-L332 HydrophobicContact CD1-CD1 4.36Å; L293-L332 HydrophobicContact CD2-CD1 3.64Å; L293-L332 HydrophobicContact CG-CD1 3.95Å; L293-V335 HydrophobicContact CD1-CB 4.22Å; L293-V335 HydrophobicContact CD1-CG1 3.67Å; L293-V335 HydrophobicContact CD1-CG2 4.42Å; L293-M336 HydrophobicContact CD2-CE 3.66Å
294R97.8Very high96.9Very high21 Ų2137.9 Ų37.98%0.07919%0.19CC..Hα-helixtrans-56.6-45.8169-101.4-166.974.6-144.52112.2L111 I113 D116 L290 R291 M296 C297 N298 L311L111-R294 PolarHBondContact O-NH1 2.81Å; I113-R294 HydrophobicContact CD1-CB 4.41Å; D116-R294 IonicContact OD1-CZ 3.66Å; D116-R294 IonicContact OD1-NH1 3.56Å; D116-R294 IonicContact OD1-NH2 2.72Å; D116-R294 PolarHBondContact OD1-NH2 2.88Å; D116-R294 IonicContact OD2-CZ 2.73Å; D116-R294 IonicContact OD2-NH1 2.7Å; D116-R294 PolarHBondContact OD2-NH1 2.7Å; D116-R294 IonicContact OD2-NH2 3.7Å; D116-R294 PolarHBondContact OD2-NH2 3.5Å; L290-R294 PolarHBondContact O-N 2.82Å; R291-R294 PolarHBondContact O-N 3.45Å; R294-M296 VanDerWaalsContact C-N 3.28Å; R294-M296 PolarHBondContact O-N 2.9Å; R294-C297 PolarHBondContact O-N 3.02Å; R294-N298 WeakPolarHBondContact O-CB 3.48Å; R294-N298 PolarHBondContact O-N 2.78Å; R294-L311 HydrophobicContact CG-CD2 4.42Å
295D97.6Very high96.8Very high18 Ų1833.8 Ų33.810%0.09618%0.175CC..Hα-helixtrans-62.5-33.4173.6159.587.5000112.2K17 I21 I113 R291 I292 L293 R299K17-D295 WeakPolarHBondContact CE-OD2 3.37Å; K17-D295 IonicContact NZ-OD1 3.73Å; K17-D295 IonicContact NZ-OD2 3.59Å; K17-D295 PolarHBondContact NZ-OD2 3.24Å; K17-D295 VanDerWaalsContact NZ-OD2 3.12Å; I21-D295 HydrophobicContact CD1-CB 3.63Å; I21-D295 HydrophobicContact CG2-CB 4.16Å; I21-D295 WeakPolarHBondContact CG2-OD1 3.27Å; I113-D295 HydrophobicContact CD1-CB 4.4Å; R291-D295 PolarHBondContact O-N 2.96Å; I292-D295 PolarHBondContact O-N 2.63Å; L293-D295 PolarHBondContact O-N 2.86Å; D295-R299 VanDerWaalsContact CG-NE 3.29Å; D295-R299 WeakPolarHBondContact O-CB 3.35Å; D295-R299 WeakPolarHBondContact O-CG 3.42Å; D295-R299 PolarHBondContact O-N 3.26Å; D295-R299 VanDerWaalsContact O-N 3.16Å; D295-R299 PolarHBondContact O-NE 2.98Å; D295-R299 IonicContact OD1-NE 3.64Å; D295-R299 PolarHBondContact OD1-NE 3.16Å; D295-R299 VanDerWaalsContact OD1-NE 3.11Å; D295-R299 IonicContact OD2-CZ 3.67Å; D295-R299 VanDerWaalsContact OD2-CZ 3.24Å; D295-R299 IonicContact OD2-NE 3.76Å; D295-R299 PolarHBondContact OD2-NE 3.47Å; D295-R299 IonicContact OD2-NH2 3.95Å; D295-R299 PolarHBondContact OD2-NH2 3.03Å
296M96.9Very high96.7Very high4 Ų432.9 Ų32.92%0.0217%0.169CC..Hα-helixtrans-67-45.9171.5-69.917960.100112.2I292 L293 R294 N298 R299 H300 W303 M336 V393I292-M296 WeakPolarHBondContact O-CG 3.47Å; I292-M296 PolarHBondContact O-N 3.43Å; L293-M296 HydrophobicContact CD2-SD 3.99Å; L293-M296 CarbonylContact O-C 3.59Å; L293-M296 WeakPolarHBondContact O-CA 3.35Å; L293-M296 WeakPolarHBondContact O-CB 3.24Å; L293-M296 PolarHBondContact O-N 3.04Å; R294-M296 VanDerWaalsContact C-N 3.28Å; R294-M296 PolarHBondContact O-N 2.9Å; M296-N298 PolarHBondContact O-N 3.27Å; M296-R299 VanDerWaalsContact CG-NH2 3.33Å; M296-R299 PolarHBondContact O-N 3.16Å; M296-H300 WeakPolarHBondContact O-CB 3.24Å; M296-H300 PolarHBondContact O-N 3.4Å; M296-W303 HydrophobicContact CE-CD2 4.38Å; M296-W303 HydrophobicContact CE-CH2 4.32Å; M296-W303 HydrophobicContact CE-CZ2 3.95Å; M296-M336 HydrophobicContact CE-CE 3.56Å; M296-M336 HydrophobicContact SD-CE 3.85Å; M296-V393 HydrophobicContact CE-CG1 3.94Å; M296-V393 HydrophobicContact SD-CG1 4.29Å
297C96.8Very high96.5Very high5 Ų537.4 Ų37.43%0.03419%0.188CC..Hα-helixtrans-58.6-44.4175.1-59.60000111.8L293 R294 R299 W303 K307L293-C297 PolarHBondContact O-N 3.46Å; L293-C297 PolarHBondContact O-SG 3.05Å; R294-C297 PolarHBondContact O-N 3.02Å; C297-R299 VanDerWaalsContact C-N 3.32Å; C297-R299 PolarHBondContact O-N 2.7Å; C297-W303 PolarHBondContact SG-O 2.93Å; C297-K307 HydrophobicContact CB-CB 4.14Å; C297-K307 HydrophobicContact CB-CG 4.37Å
298N95.4Very high96.3Very high76 Ų7637.5 Ų37.541%0.40620%0.195SC..Hα-helixtrans-68.8-25178.9-77.31.4000113.8R294 M296 K307R294-N298 WeakPolarHBondContact O-CB 3.48Å; R294-N298 PolarHBondContact O-N 2.78Å; M296-N298 PolarHBondContact O-N 3.27Å; N298-K307 VanDerWaalsContact OD1-CE 3.3Å; N298-K307 WeakPolarHBondContact OD1-CE 3.32Å; N298-K307 PolarHBondContact OD1-NZ 3.27Å
299R94.3Very high96.2Very high67 Ų6737 Ų3725%0.25319%0.191SC..Hα-helixtrans-93.9-22.3179.4-74.9-174-67.791.59.8114.3D295 M296 C297 E395D295-R299 VanDerWaalsContact CG-NE 3.29Å; D295-R299 WeakPolarHBondContact O-CB 3.35Å; D295-R299 WeakPolarHBondContact O-CG 3.42Å; D295-R299 PolarHBondContact O-N 3.26Å; D295-R299 VanDerWaalsContact O-N 3.16Å; D295-R299 PolarHBondContact O-NE 2.98Å; D295-R299 IonicContact OD1-NE 3.64Å; D295-R299 PolarHBondContact OD1-NE 3.16Å; D295-R299 VanDerWaalsContact OD1-NE 3.11Å; D295-R299 IonicContact OD2-CZ 3.67Å; D295-R299 VanDerWaalsContact OD2-CZ 3.24Å; D295-R299 IonicContact OD2-NE 3.76Å; D295-R299 PolarHBondContact OD2-NE 3.47Å; D295-R299 IonicContact OD2-NH2 3.95Å; D295-R299 PolarHBondContact OD2-NH2 3.03Å; M296-R299 VanDerWaalsContact CG-NH2 3.33Å; M296-R299 PolarHBondContact O-N 3.16Å; C297-R299 VanDerWaalsContact C-N 3.32Å; C297-R299 PolarHBondContact O-N 2.7Å; R299-E395 IonicContact CZ-OE2 2.75Å; R299-E395 VanDerWaalsContact NH1-CD 3.3Å; R299-E395 IonicContact NH1-OE2 2.7Å; R299-E395 PolarHBondContact NH1-OE2 2.99Å
300H94.8Very high96.1Very high49 Ų4937.8 Ų37.823%0.22720%0.196CC..  trans-135.1109.7-170.3-63.3-42.1000111.2M296 I302 W303 E395M296-H300 WeakPolarHBondContact O-CB 3.24Å; M296-H300 PolarHBondContact O-N 3.4Å; H300-I302 PolarHBondContact O-N 2.93Å; H300-W303 PolarHBondContact O-N 3.44Å; H300-E395 IonicContact CE1-OE1 2.67Å; H300-E395 PolarHBondContact CE1-OE1 3.44Å; H300-E395 VanDerWaalsContact CE1-OE1 3.23Å; H300-E395 IonicContact CE1-OE2 3.17Å; H300-E395 PolarHBondContact CE1-OE2 2.98Å; H300-E395 VanDerWaalsContact CE1-OE2 3.27Å; H300-E395 IonicContact NE2-OE1 3.22Å; H300-E395 IonicContact NE2-OE2 2.92Å; H300-E395 PolarHBondContact NE2-OE2 3.48Å
301P95.4Very high96Very high109 Ų10937.9 Ų37.971%0.70820%0.196SC*.G310 helixtrans-52.8-31.6179.9-30.236.5000114.6W303 E304 P305P301-W303 PolarHBondContact O-N 3.46Å; P301-E304 VanDerWaalsContact O-CB 3.26Å; P301-E304 WeakPolarHBondContact O-CB 3.34Å; P301-E304 PolarHBondContact O-N 3.27Å; P301-P305 WeakPolarHBondContact O-CD 3.34Å
302I96.1Very high96Very high95 Ų9537.2 Ų37.249%0.48719%0.194SC..G310 helixtrans-55-26.3175.9-63.2170000112.8H300 A373 V374H300-I302 PolarHBondContact O-N 2.93Å; I302-A373 HydrophobicContact CG2-CB 4.13Å; I302-V374 WeakPolarHBondContact O-CG2 3.41Å
303W96.3Very high95.9Very high20 Ų2037.2 Ų37.28%0.07619%0.194CC..G310 helixtrans-105.4-3.1-178.5-57.381.5000112.8M296 C297 H300 P301 L306 M336 L339 V374 A378M296-W303 HydrophobicContact CE-CD2 4.38Å; M296-W303 HydrophobicContact CE-CH2 4.32Å; M296-W303 HydrophobicContact CE-CZ2 3.95Å; C297-W303 PolarHBondContact SG-O 2.93Å; H300-W303 PolarHBondContact O-N 3.44Å; P301-W303 PolarHBondContact O-N 3.46Å; W303-L306 PolarHBondContact O-N 3.05Å; W303-M336 HydrophobicContact CH2-CE 3.88Å; W303-M336 HydrophobicContact CH2-SD 3.66Å; W303-M336 HydrophobicContact CZ3-CE 4.14Å; W303-M336 HydrophobicContact CZ3-SD 4.1Å; W303-L339 HydrophobicContact CZ3-CD1 3.91Å; W303-V374 HydrophobicContact CE3-CG1 4.34Å; W303-V374 HydrophobicContact CZ3-CG1 4.43Å; W303-A378 HydrophobicContact CH2-CB 3.97Å; W303-A378 HydrophobicContact CZ3-CB 4.37Å
304E94.4Very high95.8Very high95 Ų9537.1 Ų37.144%0.44419%0.194SC..G310 helixtrans-64-38.5-174.9-157.4-79.5154.300112.8P301 L306 K307P301-E304 VanDerWaalsContact O-CB 3.26Å; P301-E304 WeakPolarHBondContact O-CB 3.34Å; P301-E304 PolarHBondContact O-N 3.27Å; E304-L306 PolarHBondContact O-N 2.85Å; E304-K307 WeakPolarHBondContact O-CB 3.42Å; E304-K307 PolarHBondContact O-N 3.23Å
305P94.8Very high95.8Very high33 Ų3336.1 Ų36.121%0.21419%0.19CC..G310 helixtrans-60.6-14.2175-29.238.5000116.3P301 M366 E370P301-P305 WeakPolarHBondContact O-CD 3.34Å; P305-M366 HydrophobicContact CB-CE 3.65Å; P305-M366 HydrophobicContact CB-CG 4.42Å; P305-M366 VanDerWaalsContact O-CE 3.28Å; P305-M366 WeakPolarHBondContact O-CE 3.36Å; P305-E370 HydrophobicContact CB-CB 4.41Å; P305-E370 HydrophobicContact CG-CB 4.06Å; P305-E370 HydrophobicContact CG-CG 3.93Å; P305-E370 WeakPolarHBondContact CG-OE1 3.1Å
306L94.1Very high95.8Very high1 Ų135.8 Ų35.81%0.00519%0.188CC..G310 helixtrans-86.8-14.1172.2-75.1-178.6000113.7W303 E304 G308 P310 L311 I314 L339 L344 L363 M366 V374W303-L306 PolarHBondContact O-N 3.05Å; E304-L306 PolarHBondContact O-N 2.85Å; L306-G308 PolarHBondContact O-N 3.49Å; L306-P310 HydrophobicContact CD2-CB 4.32Å; L306-L311 HydrophobicContact CB-CB 4.36Å; L306-L311 WeakPolarHBondContact O-CB 3.28Å; L306-L311 PolarHBondContact O-N 2.87Å; L306-I314 HydrophobicContact CD2-CD1 3.65Å; L306-L339 HydrophobicContact CD1-CD1 4.05Å; L306-L339 HydrophobicContact CD1-CD2 3.9Å; L306-L344 HydrophobicContact CD2-CD1 4.05Å; L306-L344 HydrophobicContact CD2-CD2 4.11Å; L306-L363 HydrophobicContact CD2-CD2 4.43Å; L306-M366 HydrophobicContact CD2-CE 3.76Å; L306-M366 HydrophobicContact CG-CE 4.21Å; L306-V374 HydrophobicContact CD1-CG1 3.65Å; L306-V374 HydrophobicContact CG-CG1 4.24Å
307K93.1Very high95.7Very high96 Ų9639 Ų3942%0.41720%0.202SC..THydrogen-bonded Turntrans-61.3133.2-166.2-177.2178.3167.2-173.30111.6C297 N298 E304C297-K307 HydrophobicContact CB-CB 4.14Å; C297-K307 HydrophobicContact CB-CG 4.37Å; N298-K307 VanDerWaalsContact OD1-CE 3.3Å; N298-K307 WeakPolarHBondContact OD1-CE 3.32Å; N298-K307 PolarHBondContact OD1-NZ 3.27Å; E304-K307 WeakPolarHBondContact O-CB 3.42Å; E304-K307 PolarHBondContact O-N 3.23Å
308G94.3Very high95.6Very high30 Ų3039 Ų3931%0.30920%0.202SC..THydrogen-bonded Turntrans92.1-131.7-176.300000111.6L306 L311 E312L306-G308 PolarHBondContact O-N 3.49Å; G308-L311 PolarHBondContact O-N 3.1Å; G308-E312 PolarHBondContact O-N 3.26Å
309W96.4Very high95.7Very high27 Ų2735.8 Ų35.810%0.10219%0.185CC..Hα-helixtrans-64.2-42.6-165.9-173.8-132.8000115.4H272 W275 L311 E312 L313 D353 P354 C355H272-W309 HydrophobicContact CB-CD2 4.39Å; H272-W309 HydrophobicContact CB-CE3 3.99Å; H272-W309 HydrophobicContact CB-CH2 3.92Å; H272-W309 HydrophobicContact CB-CZ2 4.32Å; H272-W309 HydrophobicContact CB-CZ3 3.75Å; H272-W309 AromaticContact CD2-CD2 3.91Å; H272-W309 AromaticContact CD2-CE2 3.34Å; H272-W309 AromaticContact CD2-CH2 3.72Å; H272-W309 AromaticContact CD2-CZ2 3.24Å; H272-W309 WeakPolarHBondContact CD2-CZ2 3.37Å; H272-W309 AromaticContact CD2-NE1 3.7Å; H272-W309 AromaticContact CE1-CD1 3.67Å; H272-W309 AromaticContact CE1-CE2 3.87Å; H272-W309 AromaticContact CE1-CG 3.9Å; H272-W309 AromaticContact CE1-NE1 3.64Å; H272-W309 AromaticContact CG-CD2 3.81Å; H272-W309 AromaticContact CG-CE2 3.74Å; H272-W309 AromaticContact CG-CE3 3.93Å; H272-W309 AromaticContact CG-CH2 3.94Å; H272-W309 AromaticContact CG-CZ2 3.82Å; H272-W309 AromaticContact CG-CZ3 4Å; H272-W309 AromaticContact ND1-CD2 3.88Å; H272-W309 AromaticContact NE2-CD1 3.8Å; H272-W309 AromaticContact NE2-CE2 3.46Å; H272-W309 AromaticContact NE2-CZ2 3.78Å; H272-W309 AromaticContact NE2-NE1 3.28Å; H272-W309 PolarHBondContact NE2-NE1 3.35Å; W275-W309 HydrophobicContact CB-CH2 4.32Å; W275-W309 AromaticContact CD2-CH2 3.69Å; W275-W309 HydrophobicContact CD2-CH2 3.69Å; W275-W309 HydrophobicContact CD2-CZ3 4.39Å; W275-W309 AromaticContact CE3-CH2 3.35Å; W275-W309 HydrophobicContact CE3-CH2 3.35Å; W275-W309 AromaticContact CE3-CZ3 3.6Å; W275-W309 HydrophobicContact CE3-CZ3 3.6Å; W275-W309 HydrophobicContact CG-CH2 4.1Å; W275-W309 AromaticContact CZ3-CH2 3.87Å; W275-W309 HydrophobicContact CZ3-CH2 3.87Å; W275-W309 AromaticContact CZ3-CZ3 3.84Å; W275-W309 HydrophobicContact CZ3-CZ3 3.84Å; W309-L311 VanDerWaalsContact C-N 3.32Å; W309-L311 PolarHBondContact O-N 3.14Å; W309-E312 HydrophobicContact CE3-CB 3.94Å; W309-E312 HydrophobicContact CZ3-CB 4.33Å; W309-E312 WeakPolarHBondContact CZ3-OE2 3.49Å; W309-E312 WeakPolarHBondContact O-CB 3.25Å; W309-E312 PolarHBondContact O-N 3.09Å; W309-L313 HydrophobicContact CD2-CD1 4.4Å; W309-L313 HydrophobicContact CD2-CD2 4.43Å; W309-L313 HydrophobicContact CD2-CG 4.08Å; W309-L313 HydrophobicContact CE3-CG 4.44Å; W309-L313 HydrophobicContact CH2-CD2 3.8Å; W309-L313 HydrophobicContact CH2-CG 4.48Å; W309-L313 HydrophobicContact CZ2-CD1 4.31Å; W309-L313 HydrophobicContact CZ2-CD2 3.63Å; W309-L313 HydrophobicContact CZ2-CG 4.11Å; W309-L313 HydrophobicContact CZ3-CD2 4.24Å; W309-L313 PolarHBondContact O-N 2.8Å; W309-D353 VanDerWaalsContact NE1-CG 3.26Å; W309-D353 PolarHBondContact NE1-OD1 3.27Å; W309-D353 PolarHBondContact NE1-OD2 3.01Å; W309-P354 HydrophobicContact CZ2-CG 4.31Å; W309-C355 HydrophobicContact CZ2-CB 4.39Å
310P96Very high95.8Very high17 Ų1734.5 Ų34.511%0.1119%0.188CC..Hα-helixtrans-58.4-42.3177.1-2636.1000112.7L306 E312 L313 I314 L351 L363L306-P310 HydrophobicContact CD2-CB 4.32Å; P310-E312 VanDerWaalsContact C-N 3.35Å; P310-E312 PolarHBondContact O-N 3.08Å; P310-L313 PolarHBondContact O-N 3.06Å; P310-I314 WeakPolarHBondContact O-CB 3.44Å; P310-I314 WeakPolarHBondContact O-CD1 3.37Å; P310-I314 VanDerWaalsContact O-CG1 3.25Å; P310-I314 WeakPolarHBondContact O-CG1 3.14Å; P310-I314 PolarHBondContact O-N 3.49Å; P310-L351 HydrophobicContact CB-CD2 3.94Å; P310-L363 HydrophobicContact CB-CD2 4.07Å
311L96.9Very high95.8Very high5 Ų536.7 Ų36.73%0.02621%0.205CC..Hα-helixtrans-62.4-38.7175.2174.263.4000112.8L290 L293 R294 L306 G308 W309 C315L290-L311 HydrophobicContact CD2-CG 4.07Å; L293-L311 HydrophobicContact CB-CD1 3.65Å; L293-L311 HydrophobicContact CB-CD2 3.82Å; L293-L311 HydrophobicContact CB-CG 4.28Å; L293-L311 HydrophobicContact CD1-CD1 3.7Å; L293-L311 HydrophobicContact CG-CD1 4.24Å; R294-L311 HydrophobicContact CG-CD2 4.42Å; L306-L311 HydrophobicContact CB-CB 4.36Å; L306-L311 WeakPolarHBondContact O-CB 3.28Å; L306-L311 PolarHBondContact O-N 2.87Å; G308-L311 PolarHBondContact O-N 3.1Å; W309-L311 VanDerWaalsContact C-N 3.32Å; W309-L311 PolarHBondContact O-N 3.14Å; L311-C315 VanDerWaalsContact O-CB 3.24Å; L311-C315 WeakPolarHBondContact O-CB 3.45Å; L311-C315 PolarHBondContact O-N 3.17Å
312E97.6Very high95.6Very high10 Ų1032.5 Ų32.55%0.04718%0.179CC..Hα-helixtrans-62.7-48.9176.4-68.9177.8-15200111.5K109 L111 F276 L290 G308 W309 P310 C315 E316K109-E312 WeakPolarHBondContact CD-OE1 3.39Å; K109-E312 WeakPolarHBondContact CD-OE2 3.32Å; K109-E312 WeakPolarHBondContact CE-OE2 3.13Å; K109-E312 IonicContact NZ-OE1 2.69Å; K109-E312 PolarHBondContact NZ-OE1 3.36Å; K109-E312 IonicContact NZ-OE2 3.24Å; K109-E312 PolarHBondContact NZ-OE2 2.75Å; L111-E312 HydrophobicContact CD1-CG 4.19Å; F276-E312 HydrophobicContact CD2-CG 4.36Å; F276-E312 VanDerWaalsContact CD2-OE2 3.25Å; F276-E312 WeakPolarHBondContact CD2-OE2 3.35Å; F276-E312 HydrophobicContact CE2-CB 4.49Å; F276-E312 HydrophobicContact CE2-CG 4.09Å; L290-E312 HydrophobicContact CD2-CG 4.3Å; G308-E312 PolarHBondContact O-N 3.26Å; W309-E312 HydrophobicContact CE3-CB 3.94Å; W309-E312 HydrophobicContact CZ3-CB 4.33Å; W309-E312 WeakPolarHBondContact CZ3-OE2 3.49Å; W309-E312 WeakPolarHBondContact O-CB 3.25Å; W309-E312 PolarHBondContact O-N 3.09Å; P310-E312 VanDerWaalsContact C-N 3.35Å; P310-E312 PolarHBondContact O-N 3.08Å; E312-C315 PolarHBondContact O-N 3Å; E312-E316 PolarHBondContact O-N 2.84Å
313L97.2Very high95.2Very high0 Ų035.2 Ų35.20%019%0.194CC..Hα-helixtrans-62.5-47.2177.5-67.6-175.8000112.5W275 W309 P310 C315 E316 K317 L351 P354 T362W275-L313 HydrophobicContact CH2-CD2 3.54Å; W275-L313 HydrophobicContact CZ2-CD2 3.67Å; W275-L313 HydrophobicContact CZ3-CD2 4.01Å; W309-L313 HydrophobicContact CD2-CD1 4.4Å; W309-L313 HydrophobicContact CD2-CD2 4.43Å; W309-L313 HydrophobicContact CD2-CG 4.08Å; W309-L313 HydrophobicContact CE3-CG 4.44Å; W309-L313 HydrophobicContact CH2-CD2 3.8Å; W309-L313 HydrophobicContact CH2-CG 4.48Å; W309-L313 HydrophobicContact CZ2-CD1 4.31Å; W309-L313 HydrophobicContact CZ2-CD2 3.63Å; W309-L313 HydrophobicContact CZ2-CG 4.11Å; W309-L313 HydrophobicContact CZ3-CD2 4.24Å; W309-L313 PolarHBondContact O-N 2.8Å; P310-L313 PolarHBondContact O-N 3.06Å; L313-C315 VanDerWaalsContact C-N 3.3Å; L313-C315 PolarHBondContact O-N 3.15Å; L313-E316 PolarHBondContact O-N 3.27Å; L313-K317 WeakPolarHBondContact O-CB 3.07Å; L313-K317 VanDerWaalsContact O-CG 3.29Å; L313-K317 WeakPolarHBondContact O-CG 3.37Å; L313-K317 PolarHBondContact O-N 2.82Å; L313-L351 HydrophobicContact CB-CD1 4.01Å; L313-L351 HydrophobicContact CB-CD2 4.18Å; L313-L351 HydrophobicContact CB-CG 4.2Å; L313-L351 HydrophobicContact CD1-CG 4.19Å; L313-P354 HydrophobicContact CD2-CG 3.67Å; L313-T362 HydrophobicContact CD1-CG2 3.73Å
314I96.4Very high95Very high2 Ų240.2 Ų40.21%0.0121%0.213CC..Hα-helixtrans-62.5-39.7179.6-69162.1000110.8L306 P310 A318 V335 L339 L344 L351L306-I314 HydrophobicContact CD2-CD1 3.65Å; P310-I314 WeakPolarHBondContact O-CB 3.44Å; P310-I314 WeakPolarHBondContact O-CD1 3.37Å; P310-I314 VanDerWaalsContact O-CG1 3.25Å; P310-I314 WeakPolarHBondContact O-CG1 3.14Å; P310-I314 PolarHBondContact O-N 3.49Å; I314-A318 WeakPolarHBondContact O-CB 3.3Å; I314-A318 PolarHBondContact O-N 2.93Å; I314-V335 HydrophobicContact CG2-CG1 4.21Å; I314-L339 HydrophobicContact CD1-CD2 3.97Å; I314-L339 HydrophobicContact CG2-CD2 3.95Å; I314-L339 HydrophobicContact CG2-CG 4.19Å; I314-L344 HydrophobicContact CD1-CD2 3.84Å; I314-L351 HydrophobicContact CD1-CD2 3.79Å; I314-L351 HydrophobicContact CG1-CD1 3.9Å; I314-L351 HydrophobicContact CG1-CD2 3.57Å; I314-L351 HydrophobicContact CG1-CG 4.4Å
315C97.5Very high94.9Very high0 Ų040.3 Ų40.30%022%0.222CC..Hα-helixtrans-67.8-43.2179.5-161.20000112C286 L290 L311 E312 L313 I319 V335C286-C315 VanDerWaalsContact SG-SG 3.7Å; L290-C315 HydrophobicContact CD2-CB 3.44Å; L290-C315 VanDerWaalsContact CD2-CB 3.44Å; L290-C315 HydrophobicContact CG-CB 3.94Å; L311-C315 VanDerWaalsContact O-CB 3.24Å; L311-C315 WeakPolarHBondContact O-CB 3.45Å; L311-C315 PolarHBondContact O-N 3.17Å; E312-C315 PolarHBondContact O-N 3Å; L313-C315 VanDerWaalsContact C-N 3.3Å; L313-C315 PolarHBondContact O-N 3.15Å; C315-I319 WeakPolarHBondContact O-CB 3.32Å; C315-I319 WeakPolarHBondContact O-CG1 3.33Å; C315-I319 PolarHBondContact O-N 2.97Å; C315-V335 HydrophobicContact CB-CG2 4.4Å
316E96.8Very high94.9Very high10 Ų1038.9 Ų38.95%0.04721%0.212CC..Hα-helixtrans-58.6-58.6172.6-165.6-86.7-178.500110.3W275 R279 V280 L283 E312 L313 A318 I319 A320W275-E316 HydrophobicContact CH2-CB 3.54Å; W275-E316 HydrophobicContact CH2-CG 3.55Å; W275-E316 HydrophobicContact CZ2-CB 4.28Å; W275-E316 HydrophobicContact CZ2-CG 3.93Å; W275-E316 HydrophobicContact CZ3-CB 4.43Å; W275-E316 HydrophobicContact CZ3-CG 4.47Å; R279-E316 HydrophobicContact CB-CG 4.22Å; R279-E316 IonicContact CZ-OE1 2.83Å; R279-E316 IonicContact NE-OE1 2.68Å; R279-E316 PolarHBondContact NE-OE1 3.37Å; R279-E316 VanDerWaalsContact NE-OE1 3.08Å; R279-E316 IonicContact NH2-OE1 3.25Å; R279-E316 PolarHBondContact NH2-OE1 3.4Å; V280-E316 HydrophobicContact CG2-CB 4.08Å; V280-E316 HydrophobicContact CG2-CG 3.98Å; L283-E316 HydrophobicContact CD1-CG 3.78Å; E312-E316 PolarHBondContact O-N 2.84Å; L313-E316 PolarHBondContact O-N 3.27Å; E316-A318 VanDerWaalsContact C-N 3.3Å; E316-A318 PolarHBondContact O-N 3.36Å; E316-I319 PolarHBondContact O-N 3.03Å; E316-A320 WeakPolarHBondContact O-CB 3.38Å; E316-A320 PolarHBondContact O-N 2.9Å
317K94.9Very high95Very high72 Ų7239.5 Ų39.531%0.31322%0.219SC..Hα-helixtrans-60.1-41.2-174.8-65.2179.2-155.2-132.40110.9L313 T321 L351 H352L313-K317 WeakPolarHBondContact O-CB 3.07Å; L313-K317 VanDerWaalsContact O-CG 3.29Å; L313-K317 WeakPolarHBondContact O-CG 3.37Å; L313-K317 PolarHBondContact O-N 2.82Å; K317-T321 WeakPolarHBondContact O-CB 3.35Å; K317-T321 WeakPolarHBondContact O-CG2 3.46Å; K317-T321 PolarHBondContact O-N 2.93Å; K317-T321 PolarHBondContact O-OG1 2.82Å; K317-L351 HydrophobicContact CD-CD1 3.94Å; K317-H352 PolarHBondContact NZ-O 3.37Å
318A95.9Very high95.2Very high4 Ų435.1 Ų35.13%0.03320%0.201CC..Hα-helixtrans-63.9-42.8176.100000112.6I314 E316 T321 R334 V335 C338I314-A318 WeakPolarHBondContact O-CB 3.3Å; I314-A318 PolarHBondContact O-N 2.93Å; E316-A318 VanDerWaalsContact C-N 3.3Å; E316-A318 PolarHBondContact O-N 3.36Å; A318-T321 PolarHBondContact O-OG1 3.23Å; A318-T321 VanDerWaalsContact O-OG1 3.1Å; A318-R334 WeakPolarHBondContact O-CD 3.41Å; A318-R334 PolarHBondContact O-NE 2.94Å; A318-V335 HydrophobicContact CB-CG2 4.06Å; A318-C338 HydrophobicContact CB-CB 3.86Å
319I96.9Very high95.3Very high9 Ų933.7 Ų33.75%0.04619%0.186CC..Hα-helixtrans-82.3-43.9-176-67.3170.3000111.8L283 C286 C315 E316 T321 C322 A331 V335L283-I319 HydrophobicContact CB-CG2 4.45Å; C286-I319 HydrophobicContact CB-CD1 3.99Å; C315-I319 WeakPolarHBondContact O-CB 3.32Å; C315-I319 WeakPolarHBondContact O-CG1 3.33Å; C315-I319 PolarHBondContact O-N 2.97Å; E316-I319 PolarHBondContact O-N 3.03Å; I319-T321 VanDerWaalsContact C-N 3.31Å; I319-T321 PolarHBondContact O-N 3.38Å; I319-C322 VanDerWaalsContact O-CB 3.29Å; I319-C322 WeakPolarHBondContact O-CB 3Å; I319-C322 PolarHBondContact O-N 2.84Å; I319-A331 HydrophobicContact CD1-CB 3.85Å; I319-A331 HydrophobicContact CG1-CB 4.17Å; I319-V335 HydrophobicContact CD1-CG2 4.28Å; I319-V335 HydrophobicContact CG1-CG2 4.29Å
320A95.7Very high95.2Very high40 Ų4034.7 Ų34.733%0.33119%0.192SC..Hα-helixtrans-62.6-32.8-177.700000113.3L283 E316 C322L283-A320 HydrophobicContact CD1-CB 3.91Å; L283-A320 HydrophobicContact CD2-CB 4.23Å; E316-A320 WeakPolarHBondContact O-CB 3.38Å; E316-A320 PolarHBondContact O-N 2.9Å; A320-C322 PolarHBondContact O-N 3.09Å; A320-C322 VanDerWaalsContact O-N 3.07Å
321T94.1Very high95.3Very high95 Ų9533.9 Ų33.958%0.58319%0.186SC*.THydrogen-bonded Turntrans-67.3-2.417452.80000113.9K317 A318 I319 R334K317-T321 WeakPolarHBondContact O-CB 3.35Å; K317-T321 WeakPolarHBondContact O-CG2 3.46Å; K317-T321 PolarHBondContact O-N 2.93Å; K317-T321 PolarHBondContact O-OG1 2.82Å; A318-T321 PolarHBondContact O-OG1 3.23Å; A318-T321 VanDerWaalsContact O-OG1 3.1Å; I319-T321 VanDerWaalsContact C-N 3.31Å; I319-T321 PolarHBondContact O-N 3.38Å; T321-R334 PolarHBondContact OG1-NH2 3.04Å
322C91.4Very high95.4Very high22 Ų2233.6 Ų33.615%0.14919%0.185CC..SBendtrans-87.6129.4175.2-154.20000112.5I319 A320 R324 L326I319-C322 VanDerWaalsContact O-CB 3.29Å; I319-C322 WeakPolarHBondContact O-CB 3Å; I319-C322 PolarHBondContact O-N 2.84Å; A320-C322 PolarHBondContact O-N 3.09Å; A320-C322 VanDerWaalsContact O-N 3.07Å; C322-R324 PolarHBondContact O-N 3.24Å; C322-L326 HydrophobicContact CB-CD1 4.15Å; C322-L326 HydrophobicContact CB-CD2 4.38Å; C322-L326 HydrophobicContact CB-CG 4.3Å
323N87.6Confident95.4Very high152 Ų15233.8 Ų33.881%0.81319%0.185SC*.SBendtrans-72.114.7177.770.2-6.1000115.5
324R93.2Very high95.4Very high124 Ų12437.2 Ų37.247%0.46820%0.198SC..SBendtrans-154.6152.6177.167.2179.2177.6-75.8-1111.1C322 L326 E330C322-R324 PolarHBondContact O-N 3.24Å; R324-L326 HydrophobicContact CG-CD2 4.18Å; R324-L326 PolarHBondContact O-N 2.9Å; R324-E330 IonicContact CZ-OE1 2.68Å; R324-E330 IonicContact NE-OE1 2.68Å; R324-E330 IonicContact NH2-OE1 3.35Å; R324-E330 PolarHBondContact NH2-OE1 3.21Å
325P92.8Very high95.4Very high98 Ų9837.1 Ų37.164%0.63620%0.198SC*.PPolyproline II helixtrans-63.8130.6169.3-18.831.6000111.5K284K284-P325 HydrophobicContact CB-CB 4.19Å; K284-P325 HydrophobicContact CD-CB 3.66Å
326L94.1Very high95.4Very high3 Ų337.1 Ų37.12%0.01620%0.198CC..PPolyproline II helixtrans-89.9164.4-177-61.9-178.1000112.8K284 C322 R324 E330 A331 R334K284-L326 WeakPolarHBondContact CD-O 3.45Å; K284-L326 VanDerWaalsContact CE-O 3.28Å; K284-L326 WeakPolarHBondContact CE-O 3.34Å; K284-L326 PolarHBondContact NZ-O 3.33Å; C322-L326 HydrophobicContact CB-CD1 4.15Å; C322-L326 HydrophobicContact CB-CD2 4.38Å; C322-L326 HydrophobicContact CB-CG 4.3Å; R324-L326 HydrophobicContact CG-CD2 4.18Å; R324-L326 PolarHBondContact O-N 2.9Å; L326-E330 HydrophobicContact CB-CB 4.46Å; L326-E330 HydrophobicContact CD2-CG 3.96Å; L326-A331 HydrophobicContact CB-CB 4Å; L326-A331 HydrophobicContact CD1-CB 4.26Å; L326-R334 HydrophobicContact CD1-CB 4.31Å
327G95.6Very high95.5Very high14 Ų1440.6 Ų40.614%0.14421%0.214CC..PPolyproline II helixtrans-84.9162.716000000110.6G329 E330 A331G327-G329 VanDerWaalsContact C-N 3.34Å; G327-G329 PolarHBondContact O-N 3.36Å; G327-E330 PolarHBondContact O-N 3.32Å; G327-E330 VanDerWaalsContact O-N 3.15Å; G327-A331 VanDerWaalsContact O-CB 3.27Å; G327-A331 WeakPolarHBondContact O-CB 3.24Å; G327-A331 PolarHBondContact O-N 2.89Å
328A97.1Very high95.5Very high4 Ų438.4 Ų38.43%0.03321%0.207CC..Hα-helixtrans-63.3-37.3-175.500000113.2D11 V14 M15 I288 L332D11-A328 PolarHBondContact OD1-N 3.24Å; V14-A328 HydrophobicContact CB-CB 4.18Å; V14-A328 HydrophobicContact CG1-CB 3.7Å; M15-A328 HydrophobicContact SD-CB 4.11Å; I288-A328 HydrophobicContact CG2-CB 4.3Å; A328-L332 WeakPolarHBondContact O-CB 3.32Å; A328-L332 PolarHBondContact O-N 3.36Å
329G96.4Very high95.5Very high0 Ų038.2 Ų38.20%021%0.206CC..Hα-helixtrans-74.6-26.6174.600000114D11 G327 R333D11-G329 PolarHBondContact OD1-N 2.82Å; G327-G329 VanDerWaalsContact C-N 3.34Å; G327-G329 PolarHBondContact O-N 3.36Å; G329-R333 VanDerWaalsContact O-CB 3.29Å; G329-R333 WeakPolarHBondContact O-CB 3.42Å; G329-R333 PolarHBondContact O-N 3.23Å
330E95.7Very high95.5Very high47 Ų4738.5 Ų38.522%0.2221%0.209CC..Hα-helixtrans-79-38.5173.6-165.1178.7-172.700111.3R324 L326 G327 R333 R334R324-E330 IonicContact CZ-OE1 2.68Å; R324-E330 IonicContact NE-OE1 2.68Å; R324-E330 IonicContact NH2-OE1 3.35Å; R324-E330 PolarHBondContact NH2-OE1 3.21Å; L326-E330 HydrophobicContact CB-CB 4.46Å; L326-E330 HydrophobicContact CD2-CG 3.96Å; G327-E330 PolarHBondContact O-N 3.32Å; G327-E330 VanDerWaalsContact O-N 3.15Å; E330-R333 PolarHBondContact O-N 3.24Å; E330-R334 WeakPolarHBondContact O-CB 2.83Å; E330-R334 PolarHBondContact O-N 2.99Å
331A97.8Very high95.5Very high0 Ų041 Ų410%023%0.225CC..Hα-helixtrans-64.6-51.3174.500000111.6V289 I319 L326 G327 R333 R334 V335V289-A331 HydrophobicContact CG2-CB 3.74Å; I319-A331 HydrophobicContact CD1-CB 3.85Å; I319-A331 HydrophobicContact CG1-CB 4.17Å; L326-A331 HydrophobicContact CB-CB 4Å; L326-A331 HydrophobicContact CD1-CB 4.26Å; G327-A331 VanDerWaalsContact O-CB 3.27Å; G327-A331 WeakPolarHBondContact O-CB 3.24Å; G327-A331 PolarHBondContact O-N 2.89Å; A331-R333 VanDerWaalsContact C-N 3.25Å; A331-R333 PolarHBondContact O-N 3.18Å; A331-R334 WeakPolarHBondContact O-CB 3.32Å; A331-R334 PolarHBondContact O-N 2.87Å; A331-V335 PolarHBondContact O-N 2.87Å
332L98.3Very high95.4Very high0 Ų037 Ų370%020%0.203CC..Hα-helixtrans-56.6-41.4174.8178.864.4000111.6V14 V289 I292 L293 A328 R334 V335 M336 M385 I390 L394V14-L332 HydrophobicContact CG2-CB 4.44Å; V14-L332 HydrophobicContact CG2-CD2 3.69Å; V289-L332 HydrophobicContact CG1-CB 4.24Å; V289-L332 HydrophobicContact CG1-CD1 3.98Å; V289-L332 HydrophobicContact CG2-CB 4.09Å; I292-L332 HydrophobicContact CG2-CD1 4.21Å; I292-L332 HydrophobicContact CG2-CD2 4.15Å; L293-L332 HydrophobicContact CD1-CD1 4.36Å; L293-L332 HydrophobicContact CD2-CD1 3.64Å; L293-L332 HydrophobicContact CG-CD1 3.95Å; A328-L332 WeakPolarHBondContact O-CB 3.32Å; A328-L332 PolarHBondContact O-N 3.36Å; L332-R334 VanDerWaalsContact C-N 3.32Å; L332-R334 PolarHBondContact O-N 3.12Å; L332-V335 PolarHBondContact O-N 2.78Å; L332-M336 HydrophobicContact CD1-CE 4.25Å; L332-M336 WeakPolarHBondContact O-CG 3.44Å; L332-M336 PolarHBondContact O-N 3.01Å; L332-M385 HydrophobicContact CB-CE 4.3Å; L332-M385 HydrophobicContact CD2-CE 4.01Å; L332-M385 HydrophobicContact CG-CE 3.91Å; L332-I390 HydrophobicContact CD2-CD1 4.39Å; L332-L394 HydrophobicContact CD2-CD2 3.9Å
333R97.2Very high95.5Very high13 Ų1337.4 Ų37.45%0.04920%0.203CC..Hα-helixtrans-61.3-41.6175.9177.2-175.7-62.8-79.90.6111.5D10 G329 E330 A331 M336 E337 L382 M385D10-R333 IonicContact OD2-CZ 2.88Å; D10-R333 IonicContact OD2-NE 2.67Å; D10-R333 IonicContact OD2-NH2 2.66Å; D10-R333 PolarHBondContact OD2-NH2 2.76Å; G329-R333 VanDerWaalsContact O-CB 3.29Å; G329-R333 WeakPolarHBondContact O-CB 3.42Å; G329-R333 PolarHBondContact O-N 3.23Å; E330-R333 PolarHBondContact O-N 3.24Å; A331-R333 VanDerWaalsContact C-N 3.25Å; A331-R333 PolarHBondContact O-N 3.18Å; R333-M336 CarbonylContact O-C 3.49Å; R333-M336 WeakPolarHBondContact O-CB 3.45Å; R333-M336 PolarHBondContact O-N 3.46Å; R333-E337 HydrophobicContact CG-CG 4.4Å; R333-E337 WeakPolarHBondContact CG-OE1 3.46Å; R333-E337 WeakPolarHBondContact O-CG 3.49Å; R333-E337 PolarHBondContact O-N 2.91Å; R333-L382 HydrophobicContact CG-CD1 3.97Å; R333-M385 HydrophobicContact CB-CE 3.8Å; R333-M385 VanDerWaalsContact NH2-C 3.34Å; R333-M385 PolarHBondContact NH2-O 2.75Å
334R97Very high95.7Very high73 Ų7330.9 Ų30.928%0.27517%0.168SC..Hα-helixtrans-68-34.2-179.7-170168.8173.472.77.1112.7A318 T321 L326 E330 A331 L332 E337 C338A318-R334 WeakPolarHBondContact O-CD 3.41Å; A318-R334 PolarHBondContact O-NE 2.94Å; T321-R334 PolarHBondContact OG1-NH2 3.04Å; L326-R334 HydrophobicContact CD1-CB 4.31Å; E330-R334 WeakPolarHBondContact O-CB 2.83Å; E330-R334 PolarHBondContact O-N 2.99Å; A331-R334 WeakPolarHBondContact O-CB 3.32Å; A331-R334 PolarHBondContact O-N 2.87Å; L332-R334 VanDerWaalsContact C-N 3.32Å; L332-R334 PolarHBondContact O-N 3.12Å; R334-E337 PolarHBondContact O-N 2.69Å; R334-C338 PolarHBondContact O-N 3.11Å
335V97.9Very high95.7Very high0 Ų028 Ų280%016%0.161CC..Hα-helixtrans-65.4-44.3170.1-176.30000110.7V289 L293 I314 C315 A318 I319 A331 L332 E337 C338 L339V289-V335 HydrophobicContact CG1-CG2 3.98Å; L293-V335 HydrophobicContact CD1-CB 4.22Å; L293-V335 HydrophobicContact CD1-CG1 3.67Å; L293-V335 HydrophobicContact CD1-CG2 4.42Å; I314-V335 HydrophobicContact CG2-CG1 4.21Å; C315-V335 HydrophobicContact CB-CG2 4.4Å; A318-V335 HydrophobicContact CB-CG2 4.06Å; I319-V335 HydrophobicContact CD1-CG2 4.28Å; I319-V335 HydrophobicContact CG1-CG2 4.29Å; A331-V335 PolarHBondContact O-N 2.87Å; L332-V335 PolarHBondContact O-N 2.78Å; V335-E337 VanDerWaalsContact C-N 3.3Å; V335-E337 PolarHBondContact O-N 3.48Å; V335-C338 WeakPolarHBondContact O-CB 3.48Å; V335-C338 PolarHBondContact O-N 2.93Å; V335-C338 VanDerWaalsContact O-N 3.15Å; V335-L339 HydrophobicContact CG1-CD1 4.22Å; V335-L339 PolarHBondContact O-N 3.28Å
336M97.9Very high95.5Very high0 Ų027.4 Ų27.40%016%0.158CC..Hα-helixtrans-62.8-33.5174-66.8-69.1171.500112.9L293 M296 W303 L332 R333 A340 A378 A381 L382 M385 V393L293-M336 HydrophobicContact CD2-CE 3.66Å; M296-M336 HydrophobicContact CE-CE 3.56Å; M296-M336 HydrophobicContact SD-CE 3.85Å; W303-M336 HydrophobicContact CH2-CE 3.88Å; W303-M336 HydrophobicContact CH2-SD 3.66Å; W303-M336 HydrophobicContact CZ3-CE 4.14Å; W303-M336 HydrophobicContact CZ3-SD 4.1Å; L332-M336 HydrophobicContact CD1-CE 4.25Å; L332-M336 WeakPolarHBondContact O-CG 3.44Å; L332-M336 PolarHBondContact O-N 3.01Å; R333-M336 CarbonylContact O-C 3.49Å; R333-M336 WeakPolarHBondContact O-CB 3.45Å; R333-M336 PolarHBondContact O-N 3.46Å; M336-A340 WeakPolarHBondContact O-CB 3.49Å; M336-A340 PolarHBondContact O-N 3.25Å; M336-A378 HydrophobicContact SD-CB 4.33Å; M336-A381 HydrophobicContact CE-CB 4.44Å; M336-A381 HydrophobicContact SD-CB 3.82Å; M336-L382 HydrophobicContact CB-CB 4.49Å; M336-M385 HydrophobicContact CB-SD 4.34Å; M336-M385 HydrophobicContact CG-SD 3.98Å; M336-V393 HydrophobicContact CE-CG1 4.39Å
337E96.9Very high95Very high82 Ų8231.7 Ų31.738%0.38320%0.202SC..Hα-helixtrans-67-38.8172.7-74.3165.6-178.600112R333 R334 V335 S341 L382R333-E337 HydrophobicContact CG-CG 4.4Å; R333-E337 WeakPolarHBondContact CG-OE1 3.46Å; R333-E337 WeakPolarHBondContact O-CG 3.49Å; R333-E337 PolarHBondContact O-N 2.91Å; R334-E337 PolarHBondContact O-N 2.69Å; V335-E337 VanDerWaalsContact C-N 3.3Å; V335-E337 PolarHBondContact O-N 3.48Å; E337-S341 PolarHBondContact O-N 2.69Å; E337-S341 VanDerWaalsContact O-N 3.17Å; E337-L382 HydrophobicContact CB-CD2 4.47Å; E337-L382 HydrophobicContact CG-CD1 3.59Å; E337-L382 HydrophobicContact CG-CD2 3.75Å; E337-L382 HydrophobicContact CG-CG 4.33Å
338C96.1Very high94.3Very high26 Ų2632.6 Ų32.618%0.17621%0.212CC..Hα-helixtrans-65.5-50.3176-165.70000111.8A318 R334 V335 S341 I343A318-C338 HydrophobicContact CB-CB 3.86Å; R334-C338 PolarHBondContact O-N 3.11Å; V335-C338 WeakPolarHBondContact O-CB 3.48Å; V335-C338 PolarHBondContact O-N 2.93Å; V335-C338 VanDerWaalsContact O-N 3.15Å; C338-S341 PolarHBondContact O-N 2.61Å; C338-S341 PolarHBondContact O-OG 2.78Å; C338-I343 WeakPolarHBondContact O-CG2 3.25Å
339L96.2Very high93.4Very high1 Ų137.1 Ų37.11%0.00524%0.241CC..Hα-helixtrans-63.2-44.5176.6-68.6173000111.5W303 L306 I314 V335 S341 G342 I343 L344 V374 A378W303-L339 HydrophobicContact CZ3-CD1 3.91Å; L306-L339 HydrophobicContact CD1-CD1 4.05Å; L306-L339 HydrophobicContact CD1-CD2 3.9Å; I314-L339 HydrophobicContact CD1-CD2 3.97Å; I314-L339 HydrophobicContact CG2-CD2 3.95Å; I314-L339 HydrophobicContact CG2-CG 4.19Å; V335-L339 HydrophobicContact CG1-CD1 4.22Å; V335-L339 PolarHBondContact O-N 3.28Å; L339-S341 PolarHBondContact O-N 3.17Å; L339-G342 PolarHBondContact O-N 3.39Å; L339-G342 VanDerWaalsContact O-N 3.16Å; L339-I343 HydrophobicContact CD2-CG2 4.41Å; L339-L344 HydrophobicContact CD2-CD1 3.93Å; L339-L344 HydrophobicContact CD2-CD2 4.38Å; L339-L344 HydrophobicContact CD2-CG 4.2Å; L339-V374 HydrophobicContact CD2-CG1 4.45Å; L339-A378 HydrophobicContact CB-CB 3.51Å
340A96.9Very high92.5Very high14 Ų1438.1 Ų38.112%0.11625%0.251CS..Hα-helixtrans-66.7-17.7-179.700000114.4M336 G342 A378 Q379 L382M336-A340 WeakPolarHBondContact O-CB 3.49Å; M336-A340 PolarHBondContact O-N 3.25Å; A340-G342 PolarHBondContact O-N 3.26Å; A340-A378 HydrophobicContact CB-CB 4.08Å; A340-Q379 HydrophobicContact CB-CB 4.38Å; A340-Q379 HydrophobicContact CB-CG 3.7Å; A340-Q379 PolarHBondContact O-NE2 2.7Å; A340-L382 HydrophobicContact CB-CD2 4.02Å
341S95.1Very high92.2Very high93 Ų9336 Ų3665%0.6524%0.241SC*.THydrogen-bonded Turntrans-77.4-4.2175.771.90000113.7E337 C338 L339E337-S341 PolarHBondContact O-N 2.69Å; E337-S341 VanDerWaalsContact O-N 3.17Å; C338-S341 PolarHBondContact O-N 2.61Å; C338-S341 PolarHBondContact O-OG 2.78Å; L339-S341 PolarHBondContact O-N 3.17Å
342G92.6Very high91.9Very high12 Ų1240.8 Ų40.812%0.12426%0.263CS..THydrogen-bonded Turntrans84.128.917900000114.1L339 A340 L344 L345L339-G342 PolarHBondContact O-N 3.39Å; L339-G342 VanDerWaalsContact O-N 3.16Å; A340-G342 PolarHBondContact O-N 3.26Å; G342-L344 PolarHBondContact O-N 3.23Å; G342-L345 PolarHBondContact O-N 3.06Å; G342-L345 VanDerWaalsContact O-N 3.09Å
343I92.4Very high91.8Very high29 Ų2941.6 Ų41.615%0.14927%0.268CS..THydrogen-bonded Turntrans-58.6-25.7177.3-168.8169000113.3C338 L339 P349C338-I343 WeakPolarHBondContact O-CG2 3.25Å; L339-I343 HydrophobicContact CD2-CG2 4.41Å; I343-P349 HydrophobicContact CG1-CG 4.11Å
344L93.2Very high91.7Very high15 Ų1544 Ų448%0.07929%0.285CS..THydrogen-bonded Turntrans-88.2-11.9179.2-51.5179.6000113.8L306 I314 L339 G342 L363 M366 A371 V374L306-L344 HydrophobicContact CD2-CD1 4.05Å; L306-L344 HydrophobicContact CD2-CD2 4.11Å; I314-L344 HydrophobicContact CD1-CD2 3.84Å; L339-L344 HydrophobicContact CD2-CD1 3.93Å; L339-L344 HydrophobicContact CD2-CD2 4.38Å; L339-L344 HydrophobicContact CD2-CG 4.2Å; G342-L344 PolarHBondContact O-N 3.23Å; L344-L363 HydrophobicContact CD2-CD1 3.54Å; L344-L363 HydrophobicContact CD2-CD2 3.84Å; L344-L363 HydrophobicContact CD2-CG 4.37Å; L344-M366 HydrophobicContact CB-SD 4.49Å; L344-M366 HydrophobicContact CD1-SD 4.14Å; L344-A371 HydrophobicContact CB-CB 3.98Å; L344-A371 VanDerWaalsContact O-CB 3.29Å; L344-A371 WeakPolarHBondContact O-CB 3.44Å; L344-V374 HydrophobicContact CD1-CB 3.84Å; L344-V374 HydrophobicContact CD1-CG1 3.4Å; L344-V374 HydrophobicContact CD1-CG2 4.49Å
345L92.5Very high91.7Very high63 Ų6341.3 Ų41.333%0.3328%0.277SS..SBendtrans-77.7152.3-171.8-62179000111.3G342 G347 G348 A371 E372 T375G342-L345 PolarHBondContact O-N 3.06Å; G342-L345 VanDerWaalsContact O-N 3.09Å; L345-G347 PolarHBondContact O-N 3.46Å; L345-G348 WeakPolarHBondContact O-CA 3.18Å; L345-G348 PolarHBondContact O-N 3.1Å; L345-A371 HydrophobicContact CD2-CB 4.47Å; L345-E372 HydrophobicContact CD2-CB 4.4Å; L345-T375 HydrophobicContact CD1-CG2 4.26Å; L345-T375 HydrophobicContact CG-CG2 4.42Å
346P88.6Confident91.4Very high87 Ų8743.8 Ų43.857%0.56529%0.289SS*.THydrogen-bonded Turntrans-51.5135.5172.4-29.236.6000112.8G348 D368P346-G348 PolarHBondContact O-N 3.08Å; P346-D368 HydrophobicContact CG-CB 4.29Å; P346-D368 VanDerWaalsContact CG-CG 3.43Å; P346-D368 VanDerWaalsContact CG-OD1 3.28Å; P346-D368 WeakPolarHBondContact CG-OD1 3.29Å
347G83.6Confident90.9Very high92 Ų9249 Ų4995%0.94831%0.311SS*.THydrogen-bonded Turntrans75.55-172.200000114.8L345L345-G347 PolarHBondContact O-N 3.46Å
348G79.8Confident90.5Very high33 Ų3349.5 Ų49.534%0.3431%0.314SS..SBendtrans-69.3176164.300000112.6L345 P346 G350L345-G348 WeakPolarHBondContact O-CA 3.18Å; L345-G348 PolarHBondContact O-N 3.1Å; P346-G348 PolarHBondContact O-N 3.08Å; G348-G350 PolarHBondContact O-N 3.2Å
349P79.7Confident90.1Very high99 Ų9953.1 Ų53.164%0.64334%0.337SS*.  trans-77.77.2-177.134.4-37.8000114.7I343I343-P349 HydrophobicContact CG1-CG 4.11Å
350G76.8Confident89.8Confident21 Ų2156.2 Ų56.222%0.21636%0.356CS..  trans65.3-179.1-175.500000114.5G348G348-G350 PolarHBondContact O-N 3.2Å
351L90.4Very high89.5Confident3 Ų358.3 Ų58.32%0.01637%0.365CS..  trans-131.771.5173.7-170.666.8000110.9P310 L313 I314 K317 D353 D361 T362 L363P310-L351 HydrophobicContact CB-CD2 3.94Å; L313-L351 HydrophobicContact CB-CD1 4.01Å; L313-L351 HydrophobicContact CB-CD2 4.18Å; L313-L351 HydrophobicContact CB-CG 4.2Å; L313-L351 HydrophobicContact CD1-CG 4.19Å; I314-L351 HydrophobicContact CD1-CD2 3.79Å; I314-L351 HydrophobicContact CG1-CD1 3.9Å; I314-L351 HydrophobicContact CG1-CD2 3.57Å; I314-L351 HydrophobicContact CG1-CG 4.4Å; K317-L351 HydrophobicContact CD-CD1 3.94Å; L351-D353 PolarHBondContact O-N 3.21Å; L351-D361 VanDerWaalsContact C-OD1 3.28Å; L351-D361 WeakPolarHBondContact CA-OD1 3.29Å; L351-D361 PolarHBondContact N-OD1 3.07Å; L351-T362 VanDerWaalsContact CD2-OG1 3.28Å; L351-T362 WeakPolarHBondContact CD2-OG1 3.29Å; L351-T362 VanDerWaalsContact CG-OG1 3.31Å; L351-T362 WeakPolarHBondContact CG-OG1 3.47Å; L351-T362 PolarHBondContact O-N 3.05Å; L351-T362 VanDerWaalsContact O-N 3.08Å; L351-T362 PolarHBondContact O-OG1 3.36Å; L351-L363 HydrophobicContact CB-CD1 3.57Å; L351-L363 HydrophobicContact CB-CG 3.78Å; L351-L363 HydrophobicContact CD2-CD1 4.32Å; L351-L363 HydrophobicContact CD2-CD2 4.24Å; L351-L363 HydrophobicContact CD2-CG 4.12Å
352H91.6Very high89.3Confident100 Ų10055.2 Ų55.246%0.46334%0.342SS..BIsolated β-bridgetrans-54.6134.1176.5-58.1-66.1000113.1K317 P354 T360K317-H352 PolarHBondContact NZ-O 3.37Å; H352-P354 WeakPolarHBondContact O-CD 3.2Å; H352-T360 WeakPolarHBondContact CA-O 3.32Å
353D95.1Very high89.1Confident18 Ų1855.4 Ų55.410%0.09634%0.341CS..  trans-71.5121.1173.5-155.7-39000110.9H272 W309 L351 C355 E356 T360 T362H272-D353 IonicContact NE2-OD2 3.08Å; W309-D353 VanDerWaalsContact NE1-CG 3.26Å; W309-D353 PolarHBondContact NE1-OD1 3.27Å; W309-D353 PolarHBondContact NE1-OD2 3.01Å; L351-D353 PolarHBondContact O-N 3.21Å; D353-C355 PolarHBondContact O-N 2.69Å; D353-C355 VanDerWaalsContact OD1-CB 3.3Å; D353-C355 WeakPolarHBondContact OD1-CB 3.48Å; D353-C355 PolarHBondContact OD1-N 3.23Å; D353-E356 HydrophobicContact CB-CB 4.45Å; D353-E356 HydrophobicContact CB-CG 4.24Å; D353-T360 PolarHBondContact N-O 3Å; D353-T362 HydrophobicContact CB-CG2 3.63Å; D353-T362 WeakPolarHBondContact OD2-CG2 3.49Å
354P95.8Very high88.8Confident62 Ų6257.9 Ų57.940%0.40337%0.365SS..SBendtrans-81.32.3174.135.3-37.3000113.9W275 W309 L313 H352W275-P354 HydrophobicContact CD2-CG 4.29Å; W275-P354 HydrophobicContact CG-CG 4.38Å; W275-P354 HydrophobicContact CZ2-CG 4Å; W309-P354 HydrophobicContact CZ2-CG 4.31Å; L313-P354 HydrophobicContact CD2-CG 3.67Å; H352-P354 WeakPolarHBondContact O-CD 3.2Å
355C95.6Very high88.5Confident18 Ų1865 Ų6512%0.12240%0.404CS..SBendtrans-105.8-15.8-179.1-66.50000114R271 W275 W309 D353R271-C355 HydrophobicContact CB-CB 3.91Å; R271-C355 WeakPolarHBondContact CD-O 3.36Å; R271-C355 PolarHBondContact NH1-O 3.37Å; W275-C355 VanDerWaalsContact CB-SG 3.55Å; W309-C355 HydrophobicContact CZ2-CB 4.39Å; D353-C355 PolarHBondContact O-N 2.69Å; D353-C355 VanDerWaalsContact OD1-CB 3.3Å; D353-C355 WeakPolarHBondContact OD1-CB 3.48Å; D353-C355 PolarHBondContact OD1-N 3.23Å
356E92.7Very high88.5Confident52 Ų5263.2 Ų63.224%0.24339%0.394CS..SBendtrans-89.9159.3174.1-60.4-50.3140.900112.5R186 R271 D353R186-E356 IonicContact NH2-OE2 2.79Å; R271-E356 IonicContact CZ-OE1 3.27Å; R271-E356 IonicContact CZ-OE2 3.64Å; R271-E356 IonicContact NH1-OE1 2.8Å; R271-E356 PolarHBondContact NH1-OE1 3.04Å; R271-E356 IonicContact NH1-OE2 3.23Å; R271-E356 PolarHBondContact NH1-OE2 2.97Å; R271-E356 VanDerWaalsContact NH2-CD 3.29Å; R271-E356 IonicContact NH2-OE1 3.39Å; R271-E356 PolarHBondContact NH2-OE1 3.46Å; R271-E356 IonicContact NH2-OE2 3.49Å; R271-E356 PolarHBondContact NH2-OE2 3.01Å; D353-E356 HydrophobicContact CB-CB 4.45Å; D353-E356 HydrophobicContact CB-CG 4.24Å
357K88.2Confident88.8Confident108 Ų10862.6 Ų62.647%0.4739%0.389SS..SBendtrans-75.7-55176176.6-163.2165.4-168.30107.8D190 E193D190-K357 IonicContact OD1-NZ 2.7Å; D190-K357 PolarHBondContact OD1-NZ 3.43Å; E193-K357 IonicContact OE2-NZ 3.05Å; E193-K357 PolarHBondContact OE2-NZ 3.29Å
358E88.5Confident89.3Confident94 Ų9463.6 Ų63.644%0.43937%0.372SS..SBendtrans-76.2157177.1-64.6-41.110900113.6T360E358-T360 PolarHBondContact O-N 3.31Å; E358-T360 PolarHBondContact O-OG1 3.29Å
359P87.4Confident90.1Very high101 Ų10169.5 Ų69.566%0.65639%0.391SS*.  trans-75.754.3-172.831.1-36.9000114D361P359-D361 PolarHBondContact O-N 3Å
360T90.2Very high90.8Very high66 Ų6668.1 Ų68.141%0.40538%0.376SS..  trans-62.1126.2-179.3-46.10000112.4H352 D353 E358H352-T360 WeakPolarHBondContact CA-O 3.32Å; D353-T360 PolarHBondContact N-O 3Å; E358-T360 PolarHBondContact O-N 3.31Å; E358-T360 PolarHBondContact O-OG1 3.29Å
361D89.4Confident91.7Very high58 Ų5867.2 Ų67.231%0.3137%0.366SS..BIsolated β-bridgetrans-87.7118169.3-167.6-1.6000110.7L351 P359 L363 A364L351-D361 VanDerWaalsContact C-OD1 3.28Å; L351-D361 WeakPolarHBondContact CA-OD1 3.29Å; L351-D361 PolarHBondContact N-OD1 3.07Å; P359-D361 PolarHBondContact O-N 3Å; D361-L363 PolarHBondContact O-N 3.34Å; D361-L363 VanDerWaalsContact O-N 3.1Å; D361-L363 PolarHBondContact OD1-N 3.29Å; D361-L363 VanDerWaalsContact OD1-N 3.14Å; D361-A364 WeakPolarHBondContact O-CB 3.36Å; D361-A364 PolarHBondContact O-N 3.14Å
362T91.3Very high92Very high28 Ų2873.4 Ų73.417%0.17240%0.395CS..THydrogen-bonded Turntrans-68.7-7.1179.4600000113.8L313 L351 D353L313-T362 HydrophobicContact CD1-CG2 3.73Å; L351-T362 VanDerWaalsContact CD2-OG1 3.28Å; L351-T362 WeakPolarHBondContact CD2-OG1 3.29Å; L351-T362 VanDerWaalsContact CG-OG1 3.31Å; L351-T362 WeakPolarHBondContact CG-OG1 3.47Å; L351-T362 PolarHBondContact O-N 3.05Å; L351-T362 VanDerWaalsContact O-N 3.08Å; L351-T362 PolarHBondContact O-OG1 3.36Å; D353-T362 HydrophobicContact CB-CG2 3.63Å; D353-T362 WeakPolarHBondContact OD2-CG2 3.49Å
363L88.6Confident92.3Very high17 Ų1770.4 Ų70.49%0.08939%0.388CS..THydrogen-bonded Turntrans-96.52.8175.6-63.2171000114L306 P310 L344 L351 D361 N365 M366L306-L363 HydrophobicContact CD2-CD2 4.43Å; P310-L363 HydrophobicContact CB-CD2 4.07Å; L344-L363 HydrophobicContact CD2-CD1 3.54Å; L344-L363 HydrophobicContact CD2-CD2 3.84Å; L344-L363 HydrophobicContact CD2-CG 4.37Å; L351-L363 HydrophobicContact CB-CD1 3.57Å; L351-L363 HydrophobicContact CB-CG 3.78Å; L351-L363 HydrophobicContact CD2-CD1 4.32Å; L351-L363 HydrophobicContact CD2-CD2 4.24Å; L351-L363 HydrophobicContact CD2-CG 4.12Å; D361-L363 PolarHBondContact O-N 3.34Å; D361-L363 VanDerWaalsContact O-N 3.1Å; D361-L363 PolarHBondContact OD1-N 3.29Å; D361-L363 VanDerWaalsContact OD1-N 3.14Å; L363-N365 PolarHBondContact O-N 2.73Å; L363-M366 HydrophobicContact CD2-CE 3.81Å; L363-M366 HydrophobicContact CD2-SD 4.26Å; L363-M366 WeakPolarHBondContact O-CB 3.27Å; L363-M366 PolarHBondContact O-N 3.39Å
364A85.6Confident92.4Very high81 Ų8169.6 Ų69.667%0.66938%0.383SS*.THydrogen-bonded Turntrans-54.5-29.5-176.500000114.6D361D361-A364 WeakPolarHBondContact O-CB 3.36Å; D361-A364 PolarHBondContact O-N 3.14Å
365N86.6Confident92.4Very high165 Ų16566.8 Ų66.888%0.88237%0.365SS*.THydrogen-bonded Turntrans-86.2-1.4177.9-64.9-20.7000114.2L363L363-N365 PolarHBondContact O-N 2.73Å
366M92.4Very high92.6Very high25 Ų2572.6 Ų72.612%0.12339%0.386CS..  trans-92.8126.6-179.6-176.4171.3-59.400110.6P305 L306 L344 L363 E370 A371P305-M366 HydrophobicContact CB-CE 3.65Å; P305-M366 HydrophobicContact CB-CG 4.42Å; P305-M366 VanDerWaalsContact O-CE 3.28Å; P305-M366 WeakPolarHBondContact O-CE 3.36Å; L306-M366 HydrophobicContact CD2-CE 3.76Å; L306-M366 HydrophobicContact CG-CE 4.21Å; L344-M366 HydrophobicContact CB-SD 4.49Å; L344-M366 HydrophobicContact CD1-SD 4.14Å; L363-M366 HydrophobicContact CD2-CE 3.81Å; L363-M366 HydrophobicContact CD2-SD 4.26Å; L363-M366 WeakPolarHBondContact O-CB 3.27Å; L363-M366 PolarHBondContact O-N 3.39Å; M366-E370 HydrophobicContact CG-CB 3.99Å; M366-A371 HydrophobicContact CG-CB 4.32Å; M366-A371 HydrophobicContact SD-CB 4.02Å
367T94.9Very high92.8Very high74 Ų7470.9 Ų70.945%0.45438%0.381SS..  trans-76.1152.4175.865.60000112.1Q369 E370 A371T367-Q369 PolarHBondContact O-N 3.12Å; T367-Q369 VanDerWaalsContact O-N 3.13Å; T367-E370 WeakPolarHBondContact CB-OE2 3.47Å; T367-E370 WeakPolarHBondContact CG2-OE2 3.47Å; T367-E370 PolarHBondContact N-OE2 2.88Å; T367-E370 WeakPolarHBondContact O-CB 3.37Å; T367-E370 PolarHBondContact O-N 3.5Å; T367-E370 VanDerWaalsContact OG1-CG 3.24Å; T367-E370 WeakPolarHBondContact OG1-CG 3.28Å; T367-E370 PolarHBondContact OG1-N 2.98Å; T367-E370 PolarHBondContact OG1-OE2 3.2Å; T367-A371 PolarHBondContact O-N 3.02Å
368D94.3Very high93.3Very high112 Ų11265.7 Ų65.760%0.59936%0.359SS*.Hα-helixtrans-50.6-38.4174-715.9000113P346 A371 E372P346-D368 HydrophobicContact CG-CB 4.29Å; P346-D368 VanDerWaalsContact CG-CG 3.43Å; P346-D368 VanDerWaalsContact CG-OD1 3.28Å; P346-D368 WeakPolarHBondContact CG-OD1 3.29Å; D368-A371 PolarHBondContact O-N 2.95Å; D368-E372 PolarHBondContact O-N 3.04Å
369Q96.2Very high93.8Very high158 Ų15865.2 Ų65.274%0.73836%0.356SS*.Hα-helixtrans-69.4-38180-174.6176.1-7.800112T367 A373T367-Q369 PolarHBondContact O-N 3.12Å; T367-Q369 VanDerWaalsContact O-N 3.13Å; Q369-A373 VanDerWaalsContact O-CB 3.31Å; Q369-A373 WeakPolarHBondContact O-CB 3.4Å; Q369-A373 PolarHBondContact O-N 3.17Å
370E96Very high94.3Very high69 Ų6964.4 Ų64.432%0.32234%0.344SS..Hα-helixtrans-69.2-43.5173.5-71.2163.8137.100111P305 M366 T367 E372 A373 V374P305-E370 HydrophobicContact CB-CB 4.41Å; P305-E370 HydrophobicContact CG-CB 4.06Å; P305-E370 HydrophobicContact CG-CG 3.93Å; P305-E370 WeakPolarHBondContact CG-OE1 3.1Å; M366-E370 HydrophobicContact CG-CB 3.99Å; T367-E370 WeakPolarHBondContact CB-OE2 3.47Å; T367-E370 WeakPolarHBondContact CG2-OE2 3.47Å; T367-E370 PolarHBondContact N-OE2 2.88Å; T367-E370 WeakPolarHBondContact O-CB 3.37Å; T367-E370 PolarHBondContact O-N 3.5Å; T367-E370 VanDerWaalsContact OG1-CG 3.24Å; T367-E370 WeakPolarHBondContact OG1-CG 3.28Å; T367-E370 PolarHBondContact OG1-N 2.98Å; T367-E370 PolarHBondContact OG1-OE2 3.2Å; E370-E372 VanDerWaalsContact C-N 3.33Å; E370-E372 PolarHBondContact O-N 3.47Å; E370-A373 PolarHBondContact O-N 3.4Å; E370-A373 VanDerWaalsContact O-N 3.15Å; E370-V374 WeakPolarHBondContact O-CB 3.26Å; E370-V374 VanDerWaalsContact O-CG2 3.27Å; E370-V374 WeakPolarHBondContact O-CG2 3.46Å; E370-V374 PolarHBondContact O-N 2.94Å
371A95.3Very high94.6Very high3 Ų361.6 Ų61.63%0.02533%0.327CS..Hα-helixtrans-58.4-42.7174.900000112.3L344 L345 M366 T367 D368 T375L344-A371 HydrophobicContact CB-CB 3.98Å; L344-A371 VanDerWaalsContact O-CB 3.29Å; L344-A371 WeakPolarHBondContact O-CB 3.44Å; L345-A371 HydrophobicContact CD2-CB 4.47Å; M366-A371 HydrophobicContact CG-CB 4.32Å; M366-A371 HydrophobicContact SD-CB 4.02Å; T367-A371 PolarHBondContact O-N 3.02Å; D368-A371 PolarHBondContact O-N 2.95Å; A371-T375 WeakPolarHBondContact O-CB 3.34Å; A371-T375 PolarHBondContact O-N 2.86Å; A371-T375 PolarHBondContact O-OG1 3.43Å
372E96.3Very high95Very high133 Ų13360.7 Ų60.762%0.62132%0.322SS*.Hα-helixtrans-64.2-46.1173-170.1-177.4-177.500111.3L345 D368 E370 V374 T375 Y376L345-E372 HydrophobicContact CD2-CB 4.4Å; D368-E372 PolarHBondContact O-N 3.04Å; E370-E372 VanDerWaalsContact C-N 3.33Å; E370-E372 PolarHBondContact O-N 3.47Å; E372-V374 PolarHBondContact O-N 3.26Å; E372-T375 PolarHBondContact O-N 3.49Å; E372-Y376 WeakPolarHBondContact O-CB 3.42Å; E372-Y376 PolarHBondContact O-N 2.87Å
373A97.6Very high95.2Very high37 Ų3765.2 Ų65.231%0.30634%0.336SS..Hα-helixtrans-62.2-44.5-179.100000112.6I302 Q369 E370 G377I302-A373 HydrophobicContact CG2-CB 4.13Å; Q369-A373 VanDerWaalsContact O-CB 3.31Å; Q369-A373 WeakPolarHBondContact O-CB 3.4Å; Q369-A373 PolarHBondContact O-N 3.17Å; E370-A373 PolarHBondContact O-N 3.4Å; E370-A373 VanDerWaalsContact O-N 3.15Å; A373-G377 PolarHBondContact O-N 2.69Å
374V97.3Very high95.6Very high0 Ų065.6 Ų65.60%034%0.338CS..Hα-helixtrans-61-48.3173.2174.60000110.4I302 W303 L306 L339 L344 E370 E372 Y376 G377 A378I302-V374 WeakPolarHBondContact O-CG2 3.41Å; W303-V374 HydrophobicContact CE3-CG1 4.34Å; W303-V374 HydrophobicContact CZ3-CG1 4.43Å; L306-V374 HydrophobicContact CD1-CG1 3.65Å; L306-V374 HydrophobicContact CG-CG1 4.24Å; L339-V374 HydrophobicContact CD2-CG1 4.45Å; L344-V374 HydrophobicContact CD1-CB 3.84Å; L344-V374 HydrophobicContact CD1-CG1 3.4Å; L344-V374 HydrophobicContact CD1-CG2 4.49Å; E370-V374 WeakPolarHBondContact O-CB 3.26Å; E370-V374 VanDerWaalsContact O-CG2 3.27Å; E370-V374 WeakPolarHBondContact O-CG2 3.46Å; E370-V374 PolarHBondContact O-N 2.94Å; E372-V374 PolarHBondContact O-N 3.26Å; V374-Y376 PolarHBondContact O-N 3.3Å; V374-G377 PolarHBondContact O-N 3.31Å; V374-A378 PolarHBondContact O-N 3.49Å
375T97.1Very high96Very high3 Ų361.8 Ų61.82%0.01831%0.306CS..Hα-helixtrans-61-46.2-179.2-63.20000111.3L345 A371 E372 A378 Q379L345-T375 HydrophobicContact CD1-CG2 4.26Å; L345-T375 HydrophobicContact CG-CG2 4.42Å; A371-T375 WeakPolarHBondContact O-CB 3.34Å; A371-T375 PolarHBondContact O-N 2.86Å; A371-T375 PolarHBondContact O-OG1 3.43Å; E372-T375 PolarHBondContact O-N 3.49Å; T375-A378 PolarHBondContact O-N 2.9Å; T375-Q379 VanDerWaalsContact O-CG 3.3Å; T375-Q379 WeakPolarHBondContact O-CG 3.25Å; T375-Q379 PolarHBondContact O-N 3.21Å
376Y98.1Very high96.3Very high141 Ų14155.7 Ų55.755%0.55328%0.279SS*.Hα-helixtrans-62.9-41.7174.8176-99.9000112.1E372 V374 A378 Q379 H380E372-Y376 WeakPolarHBondContact O-CB 3.42Å; E372-Y376 PolarHBondContact O-N 2.87Å; V374-Y376 PolarHBondContact O-N 3.3Å; Y376-A378 PolarHBondContact O-N 3.17Å; Y376-Q379 PolarHBondContact O-N 3.1Å; Y376-H380 PolarHBondContact O-N 3.02Å
377G97.9Very high96.3Very high15 Ų1562.2 Ų62.216%0.15531%0.307CS..Hα-helixtrans-56.6-47.7173.300000112.2A373 V374 H380 A381A373-G377 PolarHBondContact O-N 2.69Å; V374-G377 PolarHBondContact O-N 3.31Å; G377-H380 PolarHBondContact O-N 2.85Å; G377-A381 WeakPolarHBondContact O-CB 3.33Å; G377-A381 PolarHBondContact O-N 3.15Å
378A98.2Very high96.2Very high0 Ų059.9 Ų59.90%030%0.297CS..Hα-helixtrans-63.9-43.3175.400000112.6W303 M336 L339 A340 V374 T375 Y376 H380 A381 L382W303-A378 HydrophobicContact CH2-CB 3.97Å; W303-A378 HydrophobicContact CZ3-CB 4.37Å; M336-A378 HydrophobicContact SD-CB 4.33Å; L339-A378 HydrophobicContact CB-CB 3.51Å; A340-A378 HydrophobicContact CB-CB 4.08Å; V374-A378 PolarHBondContact O-N 3.49Å; T375-A378 PolarHBondContact O-N 2.9Å; Y376-A378 PolarHBondContact O-N 3.17Å; A378-H380 VanDerWaalsContact C-N 3.28Å; A378-H380 PolarHBondContact O-N 2.79Å; A378-A381 PolarHBondContact O-N 3.07Å; A378-L382 VanDerWaalsContact O-CB 3.24Å; A378-L382 WeakPolarHBondContact O-CB 3.34Å; A378-L382 PolarHBondContact O-N 3.44Å
379Q98.4Very high96.2Very high83 Ų8357.5 Ų57.539%0.38828%0.283SS..Hα-helixtrans-61.3-35.2174-71.8173.510.800112.4A340 T375 Y376 R383A340-Q379 HydrophobicContact CB-CB 4.38Å; A340-Q379 HydrophobicContact CB-CG 3.7Å; A340-Q379 PolarHBondContact O-NE2 2.7Å; T375-Q379 VanDerWaalsContact O-CG 3.3Å; T375-Q379 WeakPolarHBondContact O-CG 3.25Å; T375-Q379 PolarHBondContact O-N 3.21Å; Y376-Q379 PolarHBondContact O-N 3.1Å; Q379-R383 WeakPolarHBondContact O-CG 3.28Å; Q379-R383 PolarHBondContact O-N 2.94Å; Q379-R383 PolarHBondContact O-NE 3.4Å
380H98.1Very high96.2Very high85 Ų8550 Ų5039%0.39425%0.247SC..Hα-helixtrans-70.3-49.7173.6-170.979.9000112Y376 G377 A378 L382 R383 L384Y376-H380 PolarHBondContact O-N 3.02Å; G377-H380 PolarHBondContact O-N 2.85Å; A378-H380 VanDerWaalsContact C-N 3.28Å; A378-H380 PolarHBondContact O-N 2.79Å; H380-L382 VanDerWaalsContact C-N 3.33Å; H380-L382 PolarHBondContact O-N 2.69Å; H380-R383 WeakPolarHBondContact O-CB 3.43Å; H380-R383 PolarHBondContact O-N 3.39Å; H380-R383 VanDerWaalsContact O-N 3.14Å; H380-L384 PolarHBondContact O-N 2.97Å
381A97.4Very high96.2Very high6 Ų649.3 Ų49.35%0.0524%0.242CC..Hα-helixtrans-56.5-46.1177.100000111.8M336 G377 A378 R383 L384 M385 V393M336-A381 HydrophobicContact CE-CB 4.44Å; M336-A381 HydrophobicContact SD-CB 3.82Å; G377-A381 WeakPolarHBondContact O-CB 3.33Å; G377-A381 PolarHBondContact O-N 3.15Å; A378-A381 PolarHBondContact O-N 3.07Å; A381-R383 VanDerWaalsContact C-N 3.31Å; A381-R383 PolarHBondContact O-N 3.04Å; A381-L384 WeakPolarHBondContact O-CB 3.33Å; A381-L384 PolarHBondContact O-N 3.37Å; A381-L384 VanDerWaalsContact O-N 3.12Å; A381-M385 VanDerWaalsContact O-CG 3.28Å; A381-M385 WeakPolarHBondContact O-CG 3.12Å; A381-M385 PolarHBondContact O-N 3.01Å; A381-V393 HydrophobicContact CB-CG1 3.8Å; A381-V393 HydrophobicContact CB-CG2 3.99Å
382L96.8Very high96.3Very high40 Ų4054.2 Ų54.221%0.20926%0.263CS..Hα-helixtrans-60.7-37.9177.9-178.158.8000112.4R333 M336 E337 A340 A378 H380 A386R333-L382 HydrophobicContact CG-CD1 3.97Å; M336-L382 HydrophobicContact CB-CB 4.49Å; E337-L382 HydrophobicContact CB-CD2 4.47Å; E337-L382 HydrophobicContact CG-CD1 3.59Å; E337-L382 HydrophobicContact CG-CD2 3.75Å; E337-L382 HydrophobicContact CG-CG 4.33Å; A340-L382 HydrophobicContact CB-CD2 4.02Å; A378-L382 VanDerWaalsContact O-CB 3.24Å; A378-L382 WeakPolarHBondContact O-CB 3.34Å; A378-L382 PolarHBondContact O-N 3.44Å; H380-L382 VanDerWaalsContact C-N 3.33Å; H380-L382 PolarHBondContact O-N 2.69Å; L382-A386 WeakPolarHBondContact O-CA 3.3Å; L382-A386 PolarHBondContact O-N 3.36Å
383R96.9Very high96.3Very high122 Ų12248.4 Ų48.446%0.4624%0.237SC..Hα-helixtrans-65.7-44.7172.7-75.5175.5-72160.8-6.6111.7Q379 H380 A381 M385 A386 F387Q379-R383 WeakPolarHBondContact O-CG 3.28Å; Q379-R383 PolarHBondContact O-N 2.94Å; Q379-R383 PolarHBondContact O-NE 3.4Å; H380-R383 WeakPolarHBondContact O-CB 3.43Å; H380-R383 PolarHBondContact O-N 3.39Å; H380-R383 VanDerWaalsContact O-N 3.14Å; A381-R383 VanDerWaalsContact C-N 3.31Å; A381-R383 PolarHBondContact O-N 3.04Å; R383-M385 PolarHBondContact O-N 3.06Å; R383-A386 CarbonylContact O-C 3.59Å; R383-A386 WeakPolarHBondContact O-CA 3.5Å; R383-A386 PolarHBondContact O-N 3.28Å; R383-F387 WeakPolarHBondContact O-CD2 3.34Å; R383-F387 PolarHBondContact O-N 3.42Å
384L96.1Very high96.3Very high26 Ų2646.6 Ų46.614%0.13622%0.222CC..Hα-helixtrans-59.6-47.8175.6-68.6176.4000111.5H380 A381 A386 F387 G388 Q389 K392 V393H380-L384 PolarHBondContact O-N 2.97Å; A381-L384 WeakPolarHBondContact O-CB 3.33Å; A381-L384 PolarHBondContact O-N 3.37Å; A381-L384 VanDerWaalsContact O-N 3.12Å; L384-A386 VanDerWaalsContact C-N 3.27Å; L384-A386 PolarHBondContact O-N 3.05Å; L384-F387 CarbonylContact O-C 3.49Å; L384-F387 PolarHBondContact O-N 2.84Å; L384-G388 PolarHBondContact O-N 3.06Å; L384-Q389 HydrophobicContact CB-CB 4.25Å; L384-Q389 HydrophobicContact CD2-CB 4.27Å; L384-Q389 WeakPolarHBondContact O-CA 3.14Å; L384-Q389 PolarHBondContact O-N 3.02Å; L384-K392 HydrophobicContact CD1-CB 4.18Å; L384-K392 HydrophobicContact CD2-CD 4.29Å; L384-V393 HydrophobicContact CB-CG2 3.81Å; L384-V393 HydrophobicContact CD1-CG2 3.89Å
385M95.1Very high96.2Very high0 Ų052 Ų520%025%0.247CC..Hα-helixtrans-59.5-40.2171.5-61.817392.300110.9R2 L332 R333 M336 A381 R383 F387 G388 I390 V393R2-M385 PolarHBondContact NH1-O 3.24Å; R2-M385 PolarHBondContact NH2-O 2.89Å; L332-M385 HydrophobicContact CB-CE 4.3Å; L332-M385 HydrophobicContact CD2-CE 4.01Å; L332-M385 HydrophobicContact CG-CE 3.91Å; R333-M385 HydrophobicContact CB-CE 3.8Å; R333-M385 VanDerWaalsContact NH2-C 3.34Å; R333-M385 PolarHBondContact NH2-O 2.75Å; M336-M385 HydrophobicContact CB-SD 4.34Å; M336-M385 HydrophobicContact CG-SD 3.98Å; A381-M385 VanDerWaalsContact O-CG 3.28Å; A381-M385 WeakPolarHBondContact O-CG 3.12Å; A381-M385 PolarHBondContact O-N 3.01Å; R383-M385 PolarHBondContact O-N 3.06Å; M385-F387 PolarHBondContact O-N 2.8Å; M385-G388 PolarHBondContact O-N 3.11Å; M385-I390 HydrophobicContact CE-CD1 3.65Å; M385-I390 HydrophobicContact CE-CG1 4.09Å; M385-I390 HydrophobicContact CG-CB 4.22Å; M385-I390 HydrophobicContact CG-CG1 4.13Å; M385-V393 HydrophobicContact CG-CG2 4.18Å
386A91.9Very high96.1Very high37 Ų3753.7 Ų53.731%0.30626%0.255SS..Hα-helixtrans-48.1-30.216800000115.2R2 L382 R383 L384R2-A386 PolarHBondContact NE-O 2.9Å; R2-A386 PolarHBondContact NH2-O 3.41Å; L382-A386 WeakPolarHBondContact O-CA 3.3Å; L382-A386 PolarHBondContact O-N 3.36Å; R383-A386 CarbonylContact O-C 3.59Å; R383-A386 WeakPolarHBondContact O-CA 3.5Å; R383-A386 PolarHBondContact O-N 3.28Å; L384-A386 VanDerWaalsContact C-N 3.27Å; L384-A386 PolarHBondContact O-N 3.05Å
387F93.2Very high96Very high163 Ų16354.7 Ų54.772%0.71527%0.265SS*.Hα-helixtrans-111.37.3176.9-65.7-67.9000114.3R2 R383 L384 M385R2-F387 VanDerWaalsContact NH2-C 3.29Å; R383-F387 WeakPolarHBondContact O-CD2 3.34Å; R383-F387 PolarHBondContact O-N 3.42Å; L384-F387 CarbonylContact O-C 3.49Å; L384-F387 PolarHBondContact O-N 2.84Å; M385-F387 PolarHBondContact O-N 2.8Å
388G92.3Very high95.8Very high24 Ų2457 Ų5725%0.24728%0.277CS..THydrogen-bonded Turntrans80.720.4175.600000113.2L384 M385L384-G388 PolarHBondContact O-N 3.06Å; M385-G388 PolarHBondContact O-N 3.11Å
389Q95.2Very high95.5Very high62 Ų6259.2 Ų59.229%0.2929%0.289SS..  trans-101.832-179.8-61.2177.9-50.200111.7L384 Y391 K392L384-Q389 HydrophobicContact CB-CB 4.25Å; L384-Q389 HydrophobicContact CD2-CB 4.27Å; L384-Q389 WeakPolarHBondContact O-CA 3.14Å; L384-Q389 PolarHBondContact O-N 3.02Å; Q389-Y391 HydrophobicContact CB-CE1 4.08Å; Q389-Y391 HydrophobicContact CG-CE1 4.18Å; Q389-Y391 PolarHBondContact O-N 2.97Å; Q389-K392 HydrophobicContact CB-CD 4.24Å; Q389-K392 HydrophobicContact CB-CG 4.33Å; Q389-K392 WeakPolarHBondContact O-CB 3.23Å; Q389-K392 PolarHBondContact O-N 3.38Å
390I96Very high95Very high0 Ų060.2 Ų60.20%030%0.303CS..Hα-helixtrans-54.6-31.7177.5-172170.8000112.9D10 H13 V14 L332 M385 K392 V393 L394D10-I390 HydrophobicContact CB-CD1 3.77Å; H13-I390 HydrophobicContact CB-CG2 3.93Å; V14-I390 HydrophobicContact CG2-CD1 3.79Å; L332-I390 HydrophobicContact CD2-CD1 4.39Å; M385-I390 HydrophobicContact CE-CD1 3.65Å; M385-I390 HydrophobicContact CE-CG1 4.09Å; M385-I390 HydrophobicContact CG-CB 4.22Å; M385-I390 HydrophobicContact CG-CG1 4.13Å; I390-K392 PolarHBondContact O-N 3.32Å; I390-V393 WeakPolarHBondContact O-CB 2.81Å; I390-V393 PolarHBondContact O-N 2.98Å; I390-L394 HydrophobicContact CD1-CD1 4.45Å; I390-L394 HydrophobicContact CG1-CD1 4.02Å; I390-L394 HydrophobicContact CG1-CG 4.25Å; I390-L394 PolarHBondContact O-N 3.49Å
391Y96Very high93.8Very high56 Ų5659.6 Ų59.622%0.2231%0.308CS..Hα-helixtrans-57.2-30.4174.867.1-91.7000112.9Q389 E395 M396 P398Q389-Y391 HydrophobicContact CB-CE1 4.08Å; Q389-Y391 HydrophobicContact CG-CE1 4.18Å; Q389-Y391 PolarHBondContact O-N 2.97Å; Y391-E395 PolarHBondContact O-N 3.23Å; Y391-E395 VanDerWaalsContact O-N 3.17Å; Y391-M396 CarbonylContact C-O 3.56Å; Y391-M396 WeakPolarHBondContact CB-O 3.46Å; Y391-M396 WeakPolarHBondContact CD2-O 3.47Å; Y391-M396 PolarHBondContact O-N 2.95Å; Y391-M396 VanDerWaalsContact O-O 3.09Å; Y391-P398 HydrophobicContact CD1-CB 3.87Å; Y391-P398 HydrophobicContact CD2-CB 3.95Å; Y391-P398 HydrophobicContact CD2-CG 4.24Å; Y391-P398 HydrophobicContact CE1-CB 4.03Å; Y391-P398 HydrophobicContact CE2-CB 4.1Å; Y391-P398 HydrophobicContact CE2-CG 4.13Å; Y391-P398 HydrophobicContact CG-CB 3.84Å
392K96.6Very high91.8Very high105 Ų10567.7 Ų67.746%0.45734%0.344SS..Hα-helixtrans-71.1-37.9173-62.3-170.1174.1-169.90112.7L384 Q389 I390 L394 E395L384-K392 HydrophobicContact CD1-CB 4.18Å; L384-K392 HydrophobicContact CD2-CD 4.29Å; Q389-K392 HydrophobicContact CB-CD 4.24Å; Q389-K392 HydrophobicContact CB-CG 4.33Å; Q389-K392 WeakPolarHBondContact O-CB 3.23Å; Q389-K392 PolarHBondContact O-N 3.38Å; I390-K392 PolarHBondContact O-N 3.32Å; K392-L394 VanDerWaalsContact C-N 3.31Å; K392-E395 PolarHBondContact O-N 3.2Å
393V96.5Very high89.7Confident11 Ų1173.5 Ų73.57%0.06737%0.368CS..Hα-helixtrans-68.2-35178.1-177.20000111M296 M336 A381 L384 M385 I390 E395M296-V393 HydrophobicContact CE-CG1 3.94Å; M296-V393 HydrophobicContact SD-CG1 4.29Å; M336-V393 HydrophobicContact CE-CG1 4.39Å; A381-V393 HydrophobicContact CB-CG1 3.8Å; A381-V393 HydrophobicContact CB-CG2 3.99Å; L384-V393 HydrophobicContact CB-CG2 3.81Å; L384-V393 HydrophobicContact CD1-CG2 3.89Å; M385-V393 HydrophobicContact CG-CG2 4.18Å; I390-V393 WeakPolarHBondContact O-CB 2.81Å; I390-V393 PolarHBondContact O-N 2.98Å; V393-E395 VanDerWaalsContact C-N 3.31Å
394L97.1Very high87Confident0 Ų073.3 Ų73.30%038%0.382CS..THydrogen-bonded Turntrans-85.7-1.1177.7-60.5176.3000113.5H13 V14 K17 I292 L332 I390 K392 M396H13-L394 HydrophobicContact CB-CD1 3.89Å; V14-L394 HydrophobicContact CG2-CD1 4.14Å; K17-L394 HydrophobicContact CB-CB 4.32Å; K17-L394 HydrophobicContact CB-CD1 4.11Å; K17-L394 HydrophobicContact CD-CB 4.38Å; K17-L394 WeakPolarHBondContact CD-O 3.31Å; K17-L394 VanDerWaalsContact CE-O 3.29Å; K17-L394 WeakPolarHBondContact CE-O 3.3Å; K17-L394 HydrophobicContact CG-CB 4.15Å; K17-L394 HydrophobicContact CG-CD2 4.32Å; K17-L394 PolarHBondContact NZ-O 3.02Å; I292-L394 HydrophobicContact CG2-CD2 3.52Å; L332-L394 HydrophobicContact CD2-CD2 3.9Å; I390-L394 HydrophobicContact CD1-CD1 4.45Å; I390-L394 HydrophobicContact CG1-CD1 4.02Å; I390-L394 HydrophobicContact CG1-CG 4.25Å; I390-L394 PolarHBondContact O-N 3.49Å; K392-L394 VanDerWaalsContact C-N 3.31Å; L394-M396 HydrophobicContact CB-CG 4.06Å; L394-M396 HydrophobicContact CB-SD 4.15Å; L394-M396 HydrophobicContact CD1-SD 4.07Å; L394-M396 PolarHBondContact O-N 2.99Å
395E96Very high84.1Confident112 Ų11276.6 Ų76.652%0.52341%0.408SS..THydrogen-bonded Turntrans46.459-172.4-61.4-159.7129.900113.3R299 H300 Y391 K392 V393R299-E395 IonicContact CZ-OE2 2.75Å; R299-E395 VanDerWaalsContact NH1-CD 3.3Å; R299-E395 IonicContact NH1-OE2 2.7Å; R299-E395 PolarHBondContact NH1-OE2 2.99Å; H300-E395 IonicContact CE1-OE1 2.67Å; H300-E395 PolarHBondContact CE1-OE1 3.44Å; H300-E395 VanDerWaalsContact CE1-OE1 3.23Å; H300-E395 IonicContact CE1-OE2 3.17Å; H300-E395 PolarHBondContact CE1-OE2 2.98Å; H300-E395 VanDerWaalsContact CE1-OE2 3.27Å; H300-E395 IonicContact NE2-OE1 3.22Å; H300-E395 IonicContact NE2-OE2 2.92Å; H300-E395 PolarHBondContact NE2-OE2 3.48Å; Y391-E395 PolarHBondContact O-N 3.23Å; Y391-E395 VanDerWaalsContact O-N 3.17Å; K392-E395 PolarHBondContact O-N 3.2Å; V393-E395 VanDerWaalsContact C-N 3.31Å
396M95.4Very high81.4Confident39 Ų3984 Ų8419%0.19244%0.442CS..  trans-138.6158.117868177.1-57.900111.5H13 A16 K17 Y391 L394 L399H13-M396 HydrophobicContact CB-SD 3.97Å; A16-M396 HydrophobicContact CB-CE 3.91Å; K17-M396 HydrophobicContact CB-SD 4.09Å; Y391-M396 CarbonylContact C-O 3.56Å; Y391-M396 WeakPolarHBondContact CB-O 3.46Å; Y391-M396 WeakPolarHBondContact CD2-O 3.47Å; Y391-M396 PolarHBondContact O-N 2.95Å; Y391-M396 VanDerWaalsContact O-O 3.09Å; L394-M396 HydrophobicContact CB-CG 4.06Å; L394-M396 HydrophobicContact CB-SD 4.15Å; L394-M396 HydrophobicContact CD1-SD 4.07Å; L394-M396 PolarHBondContact O-N 2.99Å; M396-L399 HydrophobicContact CE-CD1 4.41Å; M396-L399 HydrophobicContact CE-CD2 3.84Å; M396-L399 HydrophobicContact CE-CG 3.98Å
397E94.2Very high78.6Confident162 Ų16290.9 Ų90.976%0.75747%0.465SS*.PPolyproline II helixtrans-63.2144.1171.3-73.6-60.7134.300111.6L399E397-L399 PolarHBondContact O-N 3.12Å
398P94.4Very high75.8Confident64 Ų6492 Ų9242%0.41647%0.466SS..PPolyproline II helixtrans-65.1121.4177.327-32.4000110.3Y391Y391-P398 HydrophobicContact CD1-CB 3.87Å; Y391-P398 HydrophobicContact CD2-CB 3.95Å; Y391-P398 HydrophobicContact CD2-CG 4.24Å; Y391-P398 HydrophobicContact CE1-CB 4.03Å; Y391-P398 HydrophobicContact CE2-CB 4.1Å; Y391-P398 HydrophobicContact CE2-CG 4.13Å; Y391-P398 HydrophobicContact CG-CB 3.84Å
399L92.5Very high73.1Confident47 Ų4796.4 Ų96.425%0.24649%0.49CS..PPolyproline II helixtrans-61.6146.5-177.7-65.7175.7000111.6R12 H13 A16 M396 E397 S401R12-L399 HydrophobicContact CB-CD1 3.95Å; R12-L399 WeakPolarHBondContact O-CD1 3.31Å; H13-L399 HydrophobicContact CB-CD1 4.49Å; H13-L399 PolarHBondContact NE2-N 3.05Å; A16-L399 HydrophobicContact CB-CD1 3.83Å; A16-L399 HydrophobicContact CB-CD2 4.2Å; M396-L399 HydrophobicContact CE-CD1 4.41Å; M396-L399 HydrophobicContact CE-CD2 3.84Å; M396-L399 HydrophobicContact CE-CG 3.98Å; E397-L399 PolarHBondContact O-N 3.12Å; L399-S401 PolarHBondContact O-N 3Å; L399-S401 VanDerWaalsContact O-N 3.12Å
400P87.5Confident70.5Confident103 Ų103105 Ų10567%0.66952%0.52SS*.PPolyproline II helixtrans-49.2122.9176.2-29.435.3000112.1R12R12-P400 PolarHBondContact NH1-O 3.43Å; R12-P400 PolarHBondContact NH2-O 2.86Å
401S73.1Confident67.4Low72 Ų72110.8 Ų110.850%0.50356%0.56SS.*PPolyproline II helixtrans-71.9129.6173.5-172.90000108.9L399 K403L399-S401 PolarHBondContact O-N 3Å; L399-S401 VanDerWaalsContact O-N 3.12Å; S401-K403 PolarHBondContact O-N 3.03Å
402H55.9Low64.6Low177 Ų177116.1 Ų116.182%0.81959%0.593SS**SBendtrans-69.726.1178.5-115.3-72.6000114.5
403K52.2Low61.6Low162 Ų162121 Ų12170%0.70461%0.614SS**  trans-87.9121.5168.8-66.6175.9-176.6174.60107.8S401 S405S401-K403 PolarHBondContact O-N 3.03Å; K403-S405 PolarHBondContact O-N 3.12Å
404P39.2Very low58.6Low117 Ų117129.8 Ų129.876%0.7665%0.654SS**  trans-56.8113.8149.126.5-31.4000106.1Q406P404-Q406 PolarHBondContact O-N 2.78Å
405S35.6Very low55.6Low96 Ų96133 Ų13367%0.67169%0.688SS**  trans-64.4103.1172.9-175.90000107K403 K407K403-S405 PolarHBondContact O-N 3.12Å; S405-K407 PolarHBondContact O-N 3.44Å
406Q39.5Very low52.5Low155 Ų155136.2 Ų136.272%0.72471%0.707SS**  trans-68.580158.8-76.9-156.5-36.100107.2P404 Y408P404-Q406 PolarHBondContact O-N 2.78Å; Q406-Y408 HydrophobicContact CB-CD2 4.42Å; Q406-Y408 HydrophobicContact CB-CE2 4.5Å; Q406-Y408 PolarHBondContact O-N 3.48Å
407K32.5Very low49.8Very low181 Ų181137.9 Ų137.979%0.78774%0.735SS**  trans-57.494.7154.2-70.1-172.4177.2-174.80106S405 P409S405-K407 PolarHBondContact O-N 3.44Å; K407-P409 VanDerWaalsContact O-CD 3.31Å; K407-P409 WeakPolarHBondContact O-CD 3.19Å
408Y34.4Very low46.9Very low188 Ų188138.4 Ų138.474%0.73774%0.742SS**  trans-66.5117.1156.2-91.2-92.1000106.1Q406 W410Q406-Y408 HydrophobicContact CB-CD2 4.42Å; Q406-Y408 HydrophobicContact CB-CE2 4.5Å; Q406-Y408 PolarHBondContact O-N 3.48Å; Y408-W410 PolarHBondContact O-N 3.35Å
409P35Very low44Very low115 Ų115144.5 Ų144.575%0.74776%0.762SS**SBendtrans-8170.5-176.433.9-34.3000109.8K407K407-P409 VanDerWaalsContact O-CD 3.31Å; K407-P409 WeakPolarHBondContact O-CD 3.19Å
410W40.3Very low41.1Very low242 Ų242153.9 Ų153.992%0.91779%0.794SS**  trans-170.499.7160.5-96.2-1.4000109.9Y408Y408-W410 PolarHBondContact O-N 3.35Å
411S30.9Very low38.6Very low122 Ų122154.9 Ų154.985%0.85380%0.801SS**  trans-174.565.5148.8-98.30000109.9K413S411-K413 PolarHBondContact O-N 3.12Å
412D37.2Very low36.9Very low169 Ų169161 Ų16190%0.90481%0.814SS**  trans-85.194.1149.5-81.7-37.6000107.4
413K34.2Very low36Very low207 Ų207161.7 Ų161.790%0.982%0.817SS**  trans-171.6141.8142.8-108.5168-176.3-179.70112S411S411-K413 PolarHBondContact O-N 3.12Å
414E33Very low35.1Very low195 Ų195160.5 Ų160.591%0.91182%0.819SS**  trans-75.2156.7-174.3-55.6162.6132.600112.1
415G33.7Very low34.9Very low68 Ų68157.6 Ų157.670%0.70181%0.81SS**  trans107.4137.6147.400000118
416L31.7Very low35.3Very low179 Ų179159.4 Ų159.494%0.93782%0.818SS**  trans73115.2159.9-50.8178.8000117.3
417G38.2Very low35.1Very low74 Ų74159.4 Ų159.476%0.76382%0.819SS**  trans-77.1150.2170.700000112.3
418L33.7Very low35.9Very low174 Ų174156.7 Ų156.791%0.91181%0.813SS**  trans-146.7161165.1-142.367.9000112.2
419K34.8Very low36.6Very low191 Ų191153.7 Ų153.783%0.8381%0.81SS**PPolyproline II helixtrans-62.9155.7-166.9-63.2168.4177.3175.20113.3P421K419-P421 WeakPolarHBondContact O-CD 3.28Å
420R31.3Very low37.3Very low244 Ų244156.7 Ų156.792%0.92181%0.811SS**PPolyproline II helixtrans-61.1128.3164.1-66.8-178-175.3166.13.7109.8
421P33.9Very low37.9Very low125 Ų125148.4 Ų148.481%0.81279%0.785SS**PPolyproline II helixtrans-71.3144.6166.4-17.732.8000111.4K419K419-P421 WeakPolarHBondContact O-CD 3.28Å
422Y37.3Very low39Very low200 Ų200147.6 Ų147.678%0.78477%0.771SS**PPolyproline II helixtrans-93.3132.6166.1170.4-83.8000107.8D424Y422-D424 HydrophobicContact CE1-CB 4.22Å
423E37.6Very low40Very low191 Ų191144.5 Ų144.589%0.89375%0.753SS**  trans-138.4140.5159.8-85.6-152137.600110.9
424D33.9Very low41.3Very low138 Ų138140.5 Ų140.574%0.73874%0.736SS**  trans-113.1143.7168.5177.123.9000107.3Y422Y422-D424 HydrophobicContact CE1-CB 4.22Å
425G34.8Very low42.5Very low56 Ų56137.5 Ų137.558%0.57772%0.72SS**  trans14897-178.300000116.2
426T43.3Very low43.3Very low134 Ų134140.7 Ų140.782%0.82272%0.718SS**  trans29.7109.514357.50000119.3
427M36Very low44.5Very low155 Ų155138.8 Ų138.876%0.76470%0.702SS**  trans-85.9126.7174.5-167.4-169.9-176.300113.2D431M427-D431 HydrophobicContact CE-CB 3.61Å
428D49.8Very low45.2Very low123 Ų123141.9 Ų141.966%0.65869%0.691SS**  trans-78.3142.4-179.1-71.4-52.6000115.6K430 D431D428-K430 PolarHBondContact O-N 2.7Å; D428-D431 PolarHBondContact O-N 3.14Å; D428-D431 VanDerWaalsContact O-N 3.09Å
429D49Very low45.7Very low126 Ų126137.9 Ų137.967%0.67467%0.67SS**Hα-helixtrans-58.3-23179.1-131.7-14.4000114D431 L432D429-D431 VanDerWaalsContact C-N 3.26Å; D429-D431 PolarHBondContact O-N 3.01Å; D429-L432 WeakPolarHBondContact O-CB 3.42Å; D429-L432 PolarHBondContact O-N 2.96Å
430K48.8Very low46.1Very low177 Ų177134.7 Ų134.777%0.7766%0.662SS**Hα-helixtrans-62.4-30176.6-80.7-177.8177.6171.20112.8D428 K434D428-K430 PolarHBondContact O-N 2.7Å; K430-K434 PolarHBondContact O-N 3.37Å; K430-K434 VanDerWaalsContact O-N 3.14Å
431D53.6Low46.9Very low69 Ų69131 Ų13137%0.36965%0.647SS.*Hα-helixtrans-79.1-23.5179.1-93.4-37000113.4M427 D428 D429 K434 K435M427-D431 HydrophobicContact CE-CB 3.61Å; D428-D431 PolarHBondContact O-N 3.14Å; D428-D431 VanDerWaalsContact O-N 3.09Å; D429-D431 VanDerWaalsContact C-N 3.26Å; D429-D431 PolarHBondContact O-N 3.01Å; D431-K434 PolarHBondContact O-N 2.93Å; D431-K435 VanDerWaalsContact O-CB 3.24Å; D431-K435 WeakPolarHBondContact O-CB 3.47Å; D431-K435 PolarHBondContact O-N 2.84Å
432L54Low47.6Very low104 Ų104132 Ų13255%0.54564%0.639SS.*Hα-helixtrans-64.3-43.8171.2-168.467.2000110.6D429 K434 K435 M436D429-L432 WeakPolarHBondContact O-CB 3.42Å; D429-L432 PolarHBondContact O-N 2.96Å; L432-K434 VanDerWaalsContact C-N 3.35Å; L432-K434 PolarHBondContact O-N 2.85Å; L432-K435 PolarHBondContact O-N 3.44Å; L432-M436 WeakPolarHBondContact O-CB 3.44Å; L432-M436 PolarHBondContact O-N 3.31Å
433I57.6Low48.1Very low105 Ų105127.4 Ų127.454%0.53863%0.632SS.*Hα-helixtrans-64.4-39.3174.5-61172.2000110.9M436 K437I433-M436 PolarHBondContact O-N 3.13Å; I433-K437 WeakPolarHBondContact O-CB 3.39Å; I433-K437 PolarHBondContact O-N 3Å
434K62.2Low48.4Very low123 Ų123124.7 Ų124.754%0.53562%0.623SS.*Hα-helixtrans-67-36.9176.1-133.5167.5-172.9174.80111.9K430 D431 L432 R438K430-K434 PolarHBondContact O-N 3.37Å; K430-K434 VanDerWaalsContact O-N 3.14Å; D431-K434 PolarHBondContact O-N 2.93Å; L432-K434 VanDerWaalsContact C-N 3.35Å; L432-K434 PolarHBondContact O-N 2.85Å; K434-R438 WeakPolarHBondContact O-CG 3.35Å; K434-R438 PolarHBondContact O-N 2.93Å
435K56.8Low48.7Very low131 Ų131123.2 Ų123.257%0.5762%0.615SS**Hα-helixtrans-69.2-42.4174.6-167.1173.1-175.31760111.3D431 L432 R438 N439D431-K435 VanDerWaalsContact O-CB 3.24Å; D431-K435 WeakPolarHBondContact O-CB 3.47Å; D431-K435 PolarHBondContact O-N 2.84Å; L432-K435 PolarHBondContact O-N 3.44Å; K435-R438 PolarHBondContact O-N 2.76Å; K435-N439 PolarHBondContact O-N 3.46Å
436M50.3Low49Very low136 Ų136124.9 Ų124.967%0.6762%0.618SS**Hα-helixtrans-63.4-45.4174.2-170.2176.7-75.900111.9L432 I433 R438 N439 L440L432-M436 WeakPolarHBondContact O-CB 3.44Å; L432-M436 PolarHBondContact O-N 3.31Å; I433-M436 PolarHBondContact O-N 3.13Å; M436-R438 VanDerWaalsContact C-N 3.33Å; M436-R438 PolarHBondContact O-N 3.49Å; M436-N439 PolarHBondContact O-N 3.03Å; M436-L440 PolarHBondContact O-N 2.78Å
437K57.8Low48.9Very low139 Ų139128 Ų12860%0.60462%0.62SS**Hα-helixtrans-64.8-29174.1-81.6-172.1173.6-177.90113.9I433 R441I433-K437 WeakPolarHBondContact O-CB 3.39Å; I433-K437 PolarHBondContact O-N 3Å; K437-R441 WeakPolarHBondContact O-CB 3Å; K437-R441 PolarHBondContact O-N 3.16Å
438R51.9Low49.1Very low139 Ų139124.5 Ų124.553%0.52562%0.616SS.*Hα-helixtrans-72.2-40.9171.3-75.5-176.2-162.4103.3-13.2112K434 K435 M436 R441 K442K434-R438 WeakPolarHBondContact O-CG 3.35Å; K434-R438 PolarHBondContact O-N 2.93Å; K435-R438 PolarHBondContact O-N 2.76Å; M436-R438 VanDerWaalsContact C-N 3.33Å; M436-R438 PolarHBondContact O-N 3.49Å; R438-R441 PolarHBondContact O-N 2.91Å; R438-K442 WeakPolarHBondContact O-CG 3.38Å; R438-K442 PolarHBondContact O-N 2.89Å
439N46.2Very low48.7Very low90 Ų90125.8 Ų125.848%0.48162%0.621SS.*Hα-helixtrans-67.8-40177.2-74.3-9000112K435 M436 R441 K442 V443K435-N439 PolarHBondContact O-N 3.46Å; M436-N439 PolarHBondContact O-N 3.03Å; N439-R441 VanDerWaalsContact C-N 3.31Å; N439-R441 PolarHBondContact O-N 2.98Å; N439-K442 PolarHBondContact O-N 3.29Å; N439-V443 WeakPolarHBondContact O-CG2 3.21Å; N439-V443 PolarHBondContact O-N 2.68Å; N439-V443 VanDerWaalsContact O-N 3.14Å
440L42.4Very low48.3Very low123 Ų123125.5 Ų125.564%0.64462%0.62SS**Hα-helixtrans-64.2-36.3175.8-163.472.5000112M436 V443 L444M436-L440 PolarHBondContact O-N 2.78Å; L440-V443 PolarHBondContact O-N 2.85Å; L440-L444 PolarHBondContact O-N 3.49Å
441R48Very low48.2Very low166 Ų166120.2 Ų120.263%0.62661%0.605SS**Hα-helixtrans-67.4-42.3174.7-149.5178.8-58.7-117.72.1112K437 R438 N439 V443 L444 D445K437-R441 WeakPolarHBondContact O-CB 3Å; K437-R441 PolarHBondContact O-N 3.16Å; R438-R441 PolarHBondContact O-N 2.91Å; N439-R441 VanDerWaalsContact C-N 3.31Å; N439-R441 PolarHBondContact O-N 2.98Å; R441-V443 PolarHBondContact O-N 2.98Å; R441-L444 PolarHBondContact O-N 3.16Å; R441-D445 PolarHBondContact O-N 3.32Å
442K47.8Very low47.9Very low148 Ų148123.6 Ų123.664%0.64362%0.623SS**Hα-helixtrans-59.9-27.1173.1-75.8-179.6172.9-1700114.6R438 N439 S446R438-K442 WeakPolarHBondContact O-CG 3.38Å; R438-K442 PolarHBondContact O-N 2.89Å; N439-K442 PolarHBondContact O-N 3.29Å; K442-S446 PolarHBondContact O-N 2.97Å
443V48.6Very low47.6Very low103 Ų103124.3 Ų124.362%0.62462%0.623SS**Hα-helixtrans-84.9-18.5175.9173.10000112.2N439 L440 R441 S446N439-V443 WeakPolarHBondContact O-CG2 3.21Å; N439-V443 PolarHBondContact O-N 2.68Å; N439-V443 VanDerWaalsContact O-N 3.14Å; L440-V443 PolarHBondContact O-N 2.85Å; R441-V443 PolarHBondContact O-N 2.98Å; V443-S446 PolarHBondContact O-OG 2.9Å; V443-S446 VanDerWaalsContact O-OG 3.1Å
444L42.7Very low47.2Very low134 Ų134125.9 Ų125.970%0.70264%0.64SS**Hα-helixtrans-88-37172.4-122.769.4000112.1L440 R441 S446L440-L444 PolarHBondContact O-N 3.49Å; R441-L444 PolarHBondContact O-N 3.16Å; L444-S446 VanDerWaalsContact C-N 3.32Å; L444-S446 PolarHBondContact O-N 2.99Å
445D40.6Very low47.2Very low107 Ų107122.3 Ų122.357%0.57263%0.626SS**SBendtrans-79.1-11.1180-64.4-30.9000113.1R441 K447 A448R441-D445 PolarHBondContact O-N 3.32Å; D445-K447 PolarHBondContact O-N 2.78Å; D445-A448 PolarHBondContact O-N 3.47Å; D445-A448 VanDerWaalsContact O-N 3.15Å
446S41.4Very low48.4Very low91 Ų91120.2 Ų120.264%0.63662%0.621SS**THydrogen-bonded Turntrans-71.522173.557.30000114.2K442 V443 L444K442-S446 PolarHBondContact O-N 2.97Å; V443-S446 PolarHBondContact O-OG 2.9Å; V443-S446 VanDerWaalsContact O-OG 3.1Å; L444-S446 VanDerWaalsContact C-N 3.32Å; L444-S446 PolarHBondContact O-N 2.99Å
447K41.4Very low50.1Low198 Ų198114.3 Ų114.386%0.86159%0.594SS**THydrogen-bonded Turntrans-105.81.7168.5-135.4169.3-174177.90112.6D445D445-K447 PolarHBondContact O-N 2.78Å
448A40.7Very low51.5Low83 Ų83110.6 Ų110.669%0.68658%0.581SS**SBendtrans-81.1133.9162.600000110.1D445D445-A448 PolarHBondContact O-N 3.47Å; D445-A448 VanDerWaalsContact O-N 3.15Å
449I42Very low53.1Low149 Ų149108.3 Ų108.376%0.76458%0.577SS**  trans-70.3124.7-168.6-64155.8000111.2
450D39.8Very low55Low121 Ų121106.4 Ų106.465%0.64756%0.563SS**  trans-95.6113.9158.7-173.1-12000108.1N452D450-N452 PolarHBondContact OD1-N 2.83Å
451S47.2Very low57.2Low65 Ų65100.5 Ų100.546%0.45553%0.532SS..  trans-78.5-17.7-171-165.50000113.6R460S451-R460 PolarHBondContact O-NH2 2.82Å
452N46.3Very low59.1Low140 Ų14096.7 Ų96.775%0.74952%0.524SS*.  trans-115.319.1-160.2-77.4-1.5000115.8D450D450-N452 PolarHBondContact OD1-N 2.83Å
453Q48.7Very low61Low120 Ų12095.6 Ų95.656%0.56152%0.521SS*.SBendtrans-87.8127.7159.6-77.9-165.5-27.700111.1M455 R460Q453-M455 HydrophobicContact CB-CG 4.12Å; Q453-M455 PolarHBondContact O-N 3.32Å; Q453-R460 PolarHBondContact O-NH2 2.71Å
454P48.6Very low62.7Low137 Ų13794 Ų9489%0.8951%0.508SS*.  trans-72.479.4173.230.8-34.5000110.2
455M62.4Low64.6Low49 Ų4990.8 Ų90.824%0.24149%0.487CS..  trans-89.4131.4175.6-70.5-176.37500110.1Q453 A457 M459 R460 Q463Q453-M455 HydrophobicContact CB-CG 4.12Å; Q453-M455 PolarHBondContact O-N 3.32Å; M455-A457 PolarHBondContact O-N 3.02Å; M455-M459 HydrophobicContact CB-CE 3.92Å; M455-M459 HydrophobicContact CE-CE 3.56Å; M455-M459 HydrophobicContact CE-CG 3.85Å; M455-M459 HydrophobicContact CE-SD 3.78Å; M455-M459 HydrophobicContact CG-CE 4.07Å; M455-R460 HydrophobicContact CB-CG 3.66Å; M455-Q463 VanDerWaalsContact CE-OE1 3.28Å
456N80.9Confident66.9Low87 Ų8790.6 Ų90.647%0.46549%0.491SS..  trans-49132.2175-178.1-67000111.3L458 M459 R460 L507N456-L458 VanDerWaalsContact C-N 3.25Å; N456-L458 PolarHBondContact O-N 3.48Å; N456-L458 VanDerWaalsContact OD1-CB 3.3Å; N456-L458 WeakPolarHBondContact OD1-CB 2.93Å; N456-L458 PolarHBondContact OD1-N 2.68Å; N456-M459 HydrophobicContact CB-CB 4.4Å; N456-M459 HydrophobicContact CB-CE 4.42Å; N456-M459 WeakPolarHBondContact O-CA 3.49Å; N456-M459 WeakPolarHBondContact O-CB 3.43Å; N456-M459 PolarHBondContact O-N 2.71Å; N456-R460 PolarHBondContact O-N 2.99Å; N456-L507 WeakPolarHBondContact OD1-CD1 3.41Å
457A85.9Confident68.9Low12 Ų1289.4 Ų89.410%0.09949%0.494CS..Hα-helixtrans-54.7-38.1-174.700000113.4M455 M459 R460 L461 L507 A510 V511 L514M455-A457 PolarHBondContact O-N 3.02Å; A457-M459 VanDerWaalsContact C-N 3.27Å; A457-M459 PolarHBondContact O-N 2.82Å; A457-R460 PolarHBondContact O-N 3Å; A457-L461 WeakPolarHBondContact O-CB 3.5Å; A457-L461 PolarHBondContact O-N 2.97Å; A457-L507 HydrophobicContact CB-CD1 3.96Å; A457-A510 HydrophobicContact CB-CB 4.38Å; A457-V511 HydrophobicContact CB-CG2 3.54Å; A457-L514 HydrophobicContact CB-CD1 3.89Å; A457-L514 WeakPolarHBondContact O-CD1 3.27Å
458L87.9Confident71.2Confident61 Ų6181.4 Ų81.432%0.31946%0.46SS..Hα-helixtrans-62.3-36.5176.9-151.893.5000112.1N456 N462 Y470 K506 L507 A510N456-L458 VanDerWaalsContact C-N 3.25Å; N456-L458 PolarHBondContact O-N 3.48Å; N456-L458 VanDerWaalsContact OD1-CB 3.3Å; N456-L458 WeakPolarHBondContact OD1-CB 2.93Å; N456-L458 PolarHBondContact OD1-N 2.68Å; L458-N462 VanDerWaalsContact O-CB 3.31Å; L458-N462 WeakPolarHBondContact O-CB 3.16Å; L458-N462 PolarHBondContact O-N 2.84Å; L458-Y470 HydrophobicContact CD1-CE1 4.22Å; L458-K506 HydrophobicContact CD1-CB 3.82Å; L458-K506 WeakPolarHBondContact CD1-O 3.4Å; L458-L507 HydrophobicContact CB-CD1 4.22Å; L458-A510 HydrophobicContact CB-CB 4.46Å; L458-A510 HydrophobicContact CD1-CB 3.91Å
459M86.3Confident73.5Confident90 Ų9085.2 Ų85.244%0.44346%0.464SS..Hα-helixtrans-75.1-43.1179.1-178.5171.850.900111.5M455 N456 A457 N462 Q463M455-M459 HydrophobicContact CB-CE 3.92Å; M455-M459 HydrophobicContact CE-CE 3.56Å; M455-M459 HydrophobicContact CE-CG 3.85Å; M455-M459 HydrophobicContact CE-SD 3.78Å; M455-M459 HydrophobicContact CG-CE 4.07Å; N456-M459 HydrophobicContact CB-CB 4.4Å; N456-M459 HydrophobicContact CB-CE 4.42Å; N456-M459 WeakPolarHBondContact O-CA 3.49Å; N456-M459 WeakPolarHBondContact O-CB 3.43Å; N456-M459 PolarHBondContact O-N 2.71Å; A457-M459 VanDerWaalsContact C-N 3.27Å; A457-M459 PolarHBondContact O-N 2.82Å; M459-N462 PolarHBondContact O-N 2.89Å; M459-Q463 WeakPolarHBondContact O-CG 3.48Å; M459-Q463 PolarHBondContact O-N 2.86Å
460R85.6Confident76Confident50 Ų5080.4 Ų80.419%0.18944%0.436CS..Hα-helixtrans-58.8-48.2172.7-77.4-172.6170.8-178.2-1.2111S451 Q453 M455 N456 A457 N462 Q463 I464 L514 P520S451-R460 PolarHBondContact O-NH2 2.82Å; Q453-R460 PolarHBondContact O-NH2 2.71Å; M455-R460 HydrophobicContact CB-CG 3.66Å; N456-R460 PolarHBondContact O-N 2.99Å; A457-R460 PolarHBondContact O-N 3Å; R460-N462 PolarHBondContact O-N 2.9Å; R460-Q463 PolarHBondContact O-N 3.18Å; R460-I464 WeakPolarHBondContact O-CG1 3.28Å; R460-I464 PolarHBondContact O-N 3.12Å; R460-L514 HydrophobicContact CB-CD1 3.9Å; R460-P520 PolarHBondContact NH1-O 3.35Å
461L88.6Confident78.6Confident0 Ų082.8 Ų82.80%044%0.436CS..Hα-helixtrans-64.4-39.7179.8-178.155.1000112.5A457 Q463 I464 R465 L468 Y470 A510 V513 L514 M517A457-L461 WeakPolarHBondContact O-CB 3.5Å; A457-L461 PolarHBondContact O-N 2.97Å; L461-Q463 VanDerWaalsContact C-N 3.3Å; L461-Q463 PolarHBondContact O-N 2.9Å; L461-I464 PolarHBondContact O-N 2.91Å; L461-R465 PolarHBondContact O-N 2.95Å; L461-L468 HydrophobicContact CD1-CD1 3.94Å; L461-L468 HydrophobicContact CD2-CD1 4.07Å; L461-L468 HydrophobicContact CG-CD1 3.79Å; L461-Y470 WeakPolarHBondContact CD2-OH 3.44Å; L461-A510 HydrophobicContact CB-CB 4.29Å; L461-A510 HydrophobicContact CD2-CB 3.72Å; L461-V513 HydrophobicContact CD1-CG1 3.56Å; L461-V513 HydrophobicContact CD2-CB 3.8Å; L461-V513 HydrophobicContact CD2-CG1 3.67Å; L461-V513 HydrophobicContact CD2-CG2 4.24Å; L461-V513 HydrophobicContact CG-CG1 4.29Å; L461-L514 HydrophobicContact CB-CD1 4.35Å; L461-L514 HydrophobicContact CB-CD2 4.19Å; L461-L514 HydrophobicContact CB-CG 4.19Å; L461-L514 HydrophobicContact CD1-CD2 4.29Å; L461-M517 HydrophobicContact CD1-CE 4.08Å; L461-M517 HydrophobicContact CD1-SD 4.37Å
462N88.5Confident80.8Confident85 Ų8582.9 Ų82.946%0.45543%0.431SS..Hα-helixtrans-67.6-28.3175.9-168.6-103.5000113.3L458 M459 R460 R465 P466L458-N462 VanDerWaalsContact O-CB 3.31Å; L458-N462 WeakPolarHBondContact O-CB 3.16Å; L458-N462 PolarHBondContact O-N 2.84Å; M459-N462 PolarHBondContact O-N 2.89Å; R460-N462 PolarHBondContact O-N 2.9Å; N462-R465 CarbonylContact O-C 3.48Å; N462-R465 VanDerWaalsContact O-C 3.27Å; N462-P466 VanDerWaalsContact O-CA 3.28Å; N462-P466 WeakPolarHBondContact O-CA 3.49Å; N462-P466 VanDerWaalsContact O-N 3.08Å
463Q86.1Confident83.1Confident125 Ų12580.1 Ų80.158%0.58442%0.416SS*.Hα-helixtrans-74-39.4173.1-75.1178.6-21.600112.9M455 M459 R460 L461M455-Q463 VanDerWaalsContact CE-OE1 3.28Å; M459-Q463 WeakPolarHBondContact O-CG 3.48Å; M459-Q463 PolarHBondContact O-N 2.86Å; R460-Q463 PolarHBondContact O-N 3.18Å; L461-Q463 VanDerWaalsContact C-N 3.3Å; L461-Q463 PolarHBondContact O-N 2.9Å
464I85.9Confident85.1Confident69 Ų6976.8 Ų76.835%0.35441%0.406SS..Hα-helixtrans-67.9-41.9174.8-66.7158.8000110R460 L461 L514 M517 Y519R460-I464 WeakPolarHBondContact O-CG1 3.28Å; R460-I464 PolarHBondContact O-N 3.12Å; L461-I464 PolarHBondContact O-N 2.91Å; I464-L514 HydrophobicContact CD1-CD2 3.56Å; I464-M517 HydrophobicContact CG2-SD 4.21Å; I464-Y519 HydrophobicContact CD1-CD1 4.41Å; I464-Y519 HydrophobicContact CD1-CD2 4Å; I464-Y519 HydrophobicContact CD1-CE1 4.05Å; I464-Y519 HydrophobicContact CD1-CE2 3.62Å; I464-Y519 HydrophobicContact CD1-CG 4.38Å
465R82.9Confident87.2Confident68 Ų6875.8 Ų75.826%0.25739%0.39SS..SBendtrans-13688.6-179.4-164.8173.2-63.9-153.3-2.6112.3L461 N462 L468 D491L461-R465 PolarHBondContact O-N 2.95Å; N462-R465 CarbonylContact O-C 3.48Å; N462-R465 VanDerWaalsContact O-C 3.27Å; R465-L468 HydrophobicContact CB-CD1 3.96Å; R465-L468 HydrophobicContact CB-CG 4.07Å; R465-L468 HydrophobicContact CG-CD1 4.2Å; R465-L468 HydrophobicContact CG-CD2 4.16Å; R465-L468 HydrophobicContact CG-CG 3.8Å; R465-D491 IonicContact CZ-OD1 3.2Å; R465-D491 IonicContact CZ-OD2 3.47Å; R465-D491 IonicContact NH1-OD1 2.69Å; R465-D491 PolarHBondContact NH1-OD1 3.41Å; R465-D491 IonicContact NH1-OD2 3.44Å; R465-D491 PolarHBondContact NH1-OD2 2.86Å; R465-D491 IonicContact NH2-OD1 2.91Å; R465-D491 PolarHBondContact NH2-OD1 2.98Å; R465-D491 IonicContact NH2-OD2 2.68Å; R465-D491 PolarHBondContact NH2-OD2 3.24Å
466P87.6Confident88.6Confident102 Ų10276.3 Ų76.366%0.66240%0.398SS*.THydrogen-bonded Turntrans-66.2143.9173.527.5-34.3000110.6N462N462-P466 VanDerWaalsContact O-CA 3.28Å; N462-P466 WeakPolarHBondContact O-CA 3.49Å; N462-P466 VanDerWaalsContact O-N 3.08Å
467G84.6Confident89Confident67 Ų6774.5 Ų74.569%0.69140%0.4SS*.THydrogen-bonded Turntrans88.65.5175.900000116.5Q469G467-Q469 PolarHBondContact O-N 2.89Å
468L89.2Confident88.9Confident30 Ų3075.2 Ų75.216%0.15740%0.403CS..  trans-56.4131.8174.1-84.3177.9000113.2L461 R465 Y470 V488 D489 V490L461-L468 HydrophobicContact CD1-CD1 3.94Å; L461-L468 HydrophobicContact CD2-CD1 4.07Å; L461-L468 HydrophobicContact CG-CD1 3.79Å; R465-L468 HydrophobicContact CB-CD1 3.96Å; R465-L468 HydrophobicContact CB-CG 4.07Å; R465-L468 HydrophobicContact CG-CD1 4.2Å; R465-L468 HydrophobicContact CG-CD2 4.16Å; R465-L468 HydrophobicContact CG-CG 3.8Å; L468-Y470 HydrophobicContact CB-CE2 4.4Å; L468-V488 HydrophobicContact CB-CG2 4.11Å; L468-V488 HydrophobicContact CD1-CG2 4.25Å; L468-V488 HydrophobicContact CD2-CG2 3.83Å; L468-V488 HydrophobicContact CG-CG2 4.28Å; L468-D489 WeakPolarHBondContact CD2-O 3.42Å; L468-V490 HydrophobicContact CD1-CG2 4.1Å; L468-V490 HydrophobicContact CD2-CG2 3.98Å
469Q88.6Confident88.4Confident163 Ų16377.3 Ų77.376%0.76242%0.419SS*.  trans-99.7111.9178.8-63.7-170.810.300111G467G467-Q469 PolarHBondContact O-N 2.89Å
470Y94.1Very high87.6Confident47 Ų4775.6 Ų75.618%0.18441%0.409CS..EExtended strand (participates in β ladder)trans-87.4124.4173-67.6-101.2000110.3L458 L461 L468 S487 V488 K506 V509L458-Y470 HydrophobicContact CD1-CE1 4.22Å; L461-Y470 WeakPolarHBondContact CD2-OH 3.44Å; L468-Y470 HydrophobicContact CB-CE2 4.4Å; Y470-S487 CarbonylContact C-O 3.27Å; Y470-S487 WeakPolarHBondContact CA-O 3.48Å; Y470-V488 HydrophobicContact CD1-CB 4.07Å; Y470-V488 HydrophobicContact CD1-CG2 4.47Å; Y470-V488 HydrophobicContact CE1-CB 4.24Å; Y470-V488 HydrophobicContact CE1-CG1 4.47Å; Y470-V488 HydrophobicContact CG-CB 4.5Å; Y470-K506 HydrophobicContact CD1-CB 4.25Å; Y470-K506 HydrophobicContact CD1-CG 3.85Å; Y470-K506 HydrophobicContact CE1-CB 4.37Å; Y470-K506 HydrophobicContact CE1-CG 4.45Å; Y470-K506 HydrophobicContact CG-CD 4.33Å; Y470-K506 HydrophobicContact CG-CG 4.11Å; Y470-V509 HydrophobicContact CD1-CG1 4.17Å; Y470-V509 HydrophobicContact CE1-CB 4.21Å; Y470-V509 HydrophobicContact CE1-CG1 3.87Å
471R94.2Very high87.3Confident172 Ų17275.2 Ų75.265%0.64942%0.417SS*.EExtended strand (participates in β ladder)trans-104.1133.7178-172.2175.5-66170.32.7110.1L473 M486 S487R471-L473 HydrophobicContact CG-CD2 4.4Å; R471-M486 CarbonylContact O-C 3.51Å; R471-M486 WeakPolarHBondContact O-CA 3.24Å; R471-M486 VanDerWaalsContact O-CE 3.27Å; R471-M486 WeakPolarHBondContact O-CE 3.34Å; R471-S487 PolarHBondContact N-O 3.39Å; R471-S487 PolarHBondContact O-N 3.03Å
472L94.8Very high87.3Confident66 Ų6676.4 Ų76.435%0.34643%0.425SS..EExtended strand (participates in β ladder)trans-77.3123.6167.4-177.569.6000107.4S474 F484 M486 K502L472-S474 WeakPolarHBondContact CD1-O 3.36Å; L472-F484 HydrophobicContact CD1-CB 4.03Å; L472-F484 HydrophobicContact CD1-CD1 4.09Å; L472-M486 HydrophobicContact CB-CE 4.47Å; L472-M486 HydrophobicContact CB-SD 3.84Å; L472-M486 HydrophobicContact CD1-CG 4.46Å; L472-M486 HydrophobicContact CD1-SD 3.52Å; L472-M486 VanDerWaalsContact CD1-SD 3.52Å; L472-M486 HydrophobicContact CG-SD 4.3Å; L472-K502 HydrophobicContact CD2-CD 4.45Å
473L93.6Very high87.5Confident82 Ų8275 Ų7543%0.42942%0.419SS..EExtended strand (participates in β ladder)trans-94.5-46.5178.1-67-177.1000111.4R471 T485 S487 E496R471-L473 HydrophobicContact CG-CD2 4.4Å; L473-T485 PolarHBondContact N-O 3.41Å; L473-S487 WeakPolarHBondContact CD1-OG 3.05Å; L473-S487 WeakPolarHBondContact CG-OG 3.21Å; L473-E496 VanDerWaalsContact CD1-CD 3.49Å; L473-E496 HydrophobicContact CD1-CG 4Å; L473-E496 WeakPolarHBondContact CD1-OE2 3.43Å
474S91.2Very high87.9Confident50 Ų5070.2 Ų70.235%0.3540%0.396SS..EExtended strand (participates in β ladder)trans-144157176.765.80000112.3L472 T485L472-S474 WeakPolarHBondContact CD1-O 3.36Å; S474-T485 PolarHBondContact N-O 2.98Å; S474-T485 PolarHBondContact O-N 3.06Å; S474-T485 WeakPolarHBondContact OG-CB 3.43Å; S474-T485 PolarHBondContact OG-OG1 3Å
475Q93.4Very high88.4Confident117 Ų11767.7 Ų67.755%0.54738%0.384SS..EExtended strand (participates in β ladder)trans-131.9114.3166.1173.7179.9-24.700105.3V483 F484Q475-V483 WeakPolarHBondContact CA-O 3.35Å; Q475-F484 HydrophobicContact CB-CD1 3.97Å; Q475-F484 HydrophobicContact CB-CE1 4.21Å; Q475-F484 HydrophobicContact CG-CD1 3.77Å; Q475-F484 HydrophobicContact CG-CE1 3.56Å; Q475-F484 HydrophobicContact CG-CZ 4.39Å; Q475-F484 VanDerWaalsContact OE1-CE1 3.3Å
476S90.3Very high89.1Confident60 Ų6064.6 Ų64.642%0.4237%0.373SS..EExtended strand (participates in β ladder)trans-134.3175.5-174.959.50000111.4V483S476-V483 PolarHBondContact N-O 3.05Å; S476-V483 PolarHBondContact O-N 3.29Å
477G88.9Confident89.4Confident49 Ų4960.2 Ų60.251%0.50534%0.344SS..SBendtrans75.8164.7-176.300000113.6
478P84.1Confident90Very high26 Ų2657.1 Ų57.117%0.16931%0.312CS..  trans-60147.2-178.3-20.422.3000113.5H480 A481 E539 K541P478-H480 WeakPolarHBondContact CB-CE1 3.47Å; P478-H480 WeakPolarHBondContact CB-ND1 3.29Å; P478-H480 PolarHBondContact O-N 3.18Å; P478-A481 CarbonylContact O-C 3.52Å; P478-A481 VanDerWaalsContact O-C 3.25Å; P478-A481 PolarHBondContact O-N 2.89Å; P478-E539 WeakPolarHBondContact CD-OE1 3.27Å; P478-E539 HydrophobicContact CG-CG 4.26Å; P478-E539 WeakPolarHBondContact CG-OE1 3.5Å; P478-K541 HydrophobicContact CB-CD 4.46Å; P478-K541 HydrophobicContact CG-CD 4.43Å; P478-K541 PolarHBondContact O-NZ 2.95Å; P478-K541 VanDerWaalsContact O-NZ 3.14Å
479V78.7Confident90.1Very high106 Ų10660.1 Ų60.164%0.64233%0.329SS*.THydrogen-bonded Turntrans-46-35.9-176.71730000113.1P482V479-P482 WeakPolarHBondContact O-CD 3.22Å
480H68.8Low90.2Very high53 Ų5352.5 Ų52.525%0.24529%0.293CS..THydrogen-bonded Turntrans-79.6-9.4-174.840.7-78.6000117P478 K541 S542 E543P478-H480 WeakPolarHBondContact CB-CE1 3.47Å; P478-H480 WeakPolarHBondContact CB-ND1 3.29Å; P478-H480 PolarHBondContact O-N 3.18Å; H480-K541 HydrophobicContact CB-CG 4.48Å; H480-K541 VanDerWaalsContact CD2-C 3.46Å; H480-K541 WeakPolarHBondContact CD2-CB 3.35Å; H480-K541 WeakPolarHBondContact CD2-CD 3.31Å; H480-K541 WeakPolarHBondContact CD2-CG 3.44Å; H480-S542 VanDerWaalsContact CB-C 3.43Å; H480-S542 WeakPolarHBondContact CB-O 3.08Å; H480-S542 PolarHBondContact CD2-O 3.16Å; H480-S542 PolarHBondContact O-OG 3.2Å; H480-E543 HydrophobicContact CB-CG 4.17Å; H480-E543 WeakPolarHBondContact CB-OE1 3.38Å; H480-E543 IonicContact CE1-OE1 2.84Å; H480-E543 IonicContact CG-OE1 2.71Å; H480-E543 IonicContact ND1-OE1 3.22Å; H480-E543 PolarHBondContact ND1-OE1 2.98Å
481A79.3Confident89.7Confident43 Ų4356.1 Ų56.136%0.35532%0.315SS..SBendtrans-158.587.4154.800000107.4P478 K541P478-A481 CarbonylContact O-C 3.52Å; P478-A481 VanDerWaalsContact O-C 3.25Å; P478-A481 PolarHBondContact O-N 2.89Å; A481-K541 VanDerWaalsContact CA-CE 3.44Å; A481-K541 HydrophobicContact CB-CD 4.29Å; A481-K541 HydrophobicContact CB-CG 4.33Å; A481-K541 WeakPolarHBondContact O-CE 3.5Å; A481-K541 PolarHBondContact O-NZ 3.45Å
482P89Confident89.2Confident24 Ų2450.9 Ų50.916%0.15632%0.316CS..  trans-79.4140-174.526.8-25.4000110.3V479 F484 S500V479-P482 WeakPolarHBondContact O-CD 3.22Å; P482-F484 HydrophobicContact CB-CE2 4.02Å; P482-F484 HydrophobicContact CB-CZ 4.08Å; P482-F484 HydrophobicContact CG-CE2 3.57Å; P482-F484 HydrophobicContact CG-CZ 3.73Å; P482-S500 CarbonylContact O-C 3.56Å; P482-S500 WeakPolarHBondContact O-CA 3.3Å
483V91.6Very high89Confident57 Ų5751.1 Ų51.135%0.34532%0.32SS..EExtended strand (participates in β ladder)trans-91.3114.8173.2-177.50000107.8Q475 S476Q475-V483 WeakPolarHBondContact CA-O 3.35Å; S476-V483 PolarHBondContact N-O 3.05Å; S476-V483 PolarHBondContact O-N 3.29Å
484F95.8Very high88.9Confident23 Ų2351.4 Ų51.410%0.10133%0.325CS..EExtended strand (participates in β ladder)trans-100.2127.4172.7-58.5-87.9000109.3L472 Q475 P482 S498 G499 K502 A505L472-F484 HydrophobicContact CD1-CB 4.03Å; L472-F484 HydrophobicContact CD1-CD1 4.09Å; Q475-F484 HydrophobicContact CB-CD1 3.97Å; Q475-F484 HydrophobicContact CB-CE1 4.21Å; Q475-F484 HydrophobicContact CG-CD1 3.77Å; Q475-F484 HydrophobicContact CG-CE1 3.56Å; Q475-F484 HydrophobicContact CG-CZ 4.39Å; Q475-F484 VanDerWaalsContact OE1-CE1 3.3Å; P482-F484 HydrophobicContact CB-CE2 4.02Å; P482-F484 HydrophobicContact CB-CZ 4.08Å; P482-F484 HydrophobicContact CG-CE2 3.57Å; P482-F484 HydrophobicContact CG-CZ 3.73Å; F484-S498 CarbonylContact O-C 3.57Å; F484-S498 VanDerWaalsContact O-CA 3.23Å; F484-S498 WeakPolarHBondContact O-CA 3.45Å; F484-G499 PolarHBondContact N-O 2.92Å; F484-G499 PolarHBondContact O-N 3.36Å; F484-K502 HydrophobicContact CB-CG 4.2Å; F484-K502 HydrophobicContact CD1-CD 4.07Å; F484-K502 VanDerWaalsContact CD1-CE 3.41Å; F484-K502 HydrophobicContact CD1-CG 3.37Å; F484-K502 HydrophobicContact CD2-CG 4.2Å; F484-K502 HydrophobicContact CE1-CD 4.03Å; F484-K502 HydrophobicContact CE1-CG 3.63Å; F484-K502 HydrophobicContact CE2-CG 4.38Å; F484-K502 HydrophobicContact CG-CG 3.66Å; F484-K502 HydrophobicContact CZ-CG 4.13Å; F484-A505 HydrophobicContact CB-CB 4.25Å; F484-A505 WeakPolarHBondContact O-CB 3.24Å
485T95.3Very high89.1Confident16 Ų1651 Ų5110%0.09832%0.316CS..EExtended strand (participates in β ladder)trans-106.9119174.5-55.90000109.6L473 S474 E496L473-T485 PolarHBondContact N-O 3.41Å; S474-T485 PolarHBondContact N-O 2.98Å; S474-T485 PolarHBondContact O-N 3.06Å; S474-T485 WeakPolarHBondContact OG-CB 3.43Å; S474-T485 PolarHBondContact OG-OG1 3Å; T485-E496 HydrophobicContact CG2-CG 3.46Å; T485-E496 VanDerWaalsContact CG2-CG 3.46Å; T485-E496 WeakPolarHBondContact CG2-OE1 3.24Å
486M97.3Very high89.2Confident4 Ų449.9 Ų49.92%0.0231%0.31CS..EExtended strand (participates in β ladder)trans-109.4149.5-176.8-68.1-67.7-43.700109.2R471 L472 E496 A497 A505 K506 V509R471-M486 CarbonylContact O-C 3.51Å; R471-M486 WeakPolarHBondContact O-CA 3.24Å; R471-M486 VanDerWaalsContact O-CE 3.27Å; R471-M486 WeakPolarHBondContact O-CE 3.34Å; L472-M486 HydrophobicContact CB-CE 4.47Å; L472-M486 HydrophobicContact CB-SD 3.84Å; L472-M486 HydrophobicContact CD1-CG 4.46Å; L472-M486 HydrophobicContact CD1-SD 3.52Å; L472-M486 VanDerWaalsContact CD1-SD 3.52Å; L472-M486 HydrophobicContact CG-SD 4.3Å; M486-E496 WeakPolarHBondContact O-CA 3.34Å; M486-A497 PolarHBondContact N-O 2.98Å; M486-A497 PolarHBondContact O-N 2.97Å; M486-A497 VanDerWaalsContact O-N 3.1Å; M486-A505 HydrophobicContact CB-CB 4.05Å; M486-A505 HydrophobicContact CG-CB 3.46Å; M486-A505 VanDerWaalsContact CG-CB 3.46Å; M486-K506 HydrophobicContact CB-CG 4.45Å; M486-K506 HydrophobicContact CE-CD 4.26Å; M486-K506 VanDerWaalsContact CE-CE 3.42Å; M486-K506 HydrophobicContact CE-CG 3.77Å; M486-K506 HydrophobicContact CG-CG 4Å; M486-K506 HydrophobicContact SD-CG 4.29Å; M486-V509 HydrophobicContact CB-CG2 3.84Å; M486-V509 WeakPolarHBondContact O-CG2 3.19Å
487S95.4Very high89.4Confident9 Ų947.9 Ų47.96%0.06330%0.297CS..EExtended strand (participates in β ladder)trans-132.9161.416867.60000113.5Y470 R471 L473 Y495Y470-S487 CarbonylContact C-O 3.27Å; Y470-S487 WeakPolarHBondContact CA-O 3.48Å; R471-S487 PolarHBondContact N-O 3.39Å; R471-S487 PolarHBondContact O-N 3.03Å; L473-S487 WeakPolarHBondContact CD1-OG 3.05Å; L473-S487 WeakPolarHBondContact CG-OG 3.21Å; S487-Y495 CarbonylContact C-O 3.54Å; S487-Y495 WeakPolarHBondContact CA-O 3.4Å; S487-Y495 WeakPolarHBondContact CB-O 3.19Å
488V95.9Very high89.7Confident2 Ų248.4 Ų48.41%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-143.1138.6172.571.50000109.2L468 Y470 V490 V494 Y495 V509 V513L468-V488 HydrophobicContact CB-CG2 4.11Å; L468-V488 HydrophobicContact CD1-CG2 4.25Å; L468-V488 HydrophobicContact CD2-CG2 3.83Å; L468-V488 HydrophobicContact CG-CG2 4.28Å; Y470-V488 HydrophobicContact CD1-CB 4.07Å; Y470-V488 HydrophobicContact CD1-CG2 4.47Å; Y470-V488 HydrophobicContact CE1-CB 4.24Å; Y470-V488 HydrophobicContact CE1-CG1 4.47Å; Y470-V488 HydrophobicContact CG-CB 4.5Å; V488-V490 HydrophobicContact CG1-CG2 3.99Å; V488-V490 HydrophobicContact CG2-CG2 4.31Å; V488-V494 WeakPolarHBondContact O-CA 3.35Å; V488-Y495 PolarHBondContact N-O 3.39Å; V488-Y495 PolarHBondContact O-N 2.83Å; V488-V509 HydrophobicContact CB-CG1 3.94Å; V488-V509 HydrophobicContact CG1-CG1 3.3Å; V488-V513 HydrophobicContact CG1-CG2 3.66Å
489D91.9Very high90.2Very high94 Ų9447.6 Ų47.650%0.50329%0.29SS..EExtended strand (participates in β ladder)trans-89.9125.8171-175.8-17.9000109.3L468 G492 V494L468-D489 WeakPolarHBondContact CD2-O 3.42Å; D489-G492 WeakPolarHBondContact OD1-CA 3.23Å; D489-G492 PolarHBondContact OD1-N 2.92Å; D489-V494 HydrophobicContact CB-CG2 4.44Å
490V90.8Very high90.7Very high3 Ų346.6 Ų46.62%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-135.3108.7179.7171.10000107.4L468 V488 G492 T493 Y495 V513 M517L468-V490 HydrophobicContact CD1-CG2 4.1Å; L468-V490 HydrophobicContact CD2-CG2 3.98Å; V488-V490 HydrophobicContact CG1-CG2 3.99Å; V488-V490 HydrophobicContact CG2-CG2 4.31Å; V490-G492 VanDerWaalsContact C-N 3.27Å; V490-G492 PolarHBondContact O-N 3.25Å; V490-T493 PolarHBondContact N-O 3.48Å; V490-T493 WeakPolarHBondContact O-CB 3.11Å; V490-T493 PolarHBondContact O-N 3.12Å; V490-Y495 HydrophobicContact CB-CD2 4.02Å; V490-Y495 HydrophobicContact CB-CE2 3.87Å; V490-Y495 HydrophobicContact CG1-CE2 4.28Å; V490-Y495 HydrophobicContact CG2-CD2 4.41Å; V490-V513 HydrophobicContact CB-CG1 4.49Å; V490-V513 HydrophobicContact CG1-CG1 4.19Å; V490-V513 HydrophobicContact CG2-CG1 3.93Å; V490-V513 HydrophobicContact CG2-CG2 4.2Å; V490-M517 HydrophobicContact CG1-CE 3.29Å
491D84.1Confident91.9Very high122 Ų12245.9 Ų45.965%0.65229%0.289SS*.THydrogen-bonded Turntrans60.429.2179.1-56.9-37.8000114.7R465 T493R465-D491 IonicContact CZ-OD1 3.2Å; R465-D491 IonicContact CZ-OD2 3.47Å; R465-D491 IonicContact NH1-OD1 2.69Å; R465-D491 PolarHBondContact NH1-OD1 3.41Å; R465-D491 IonicContact NH1-OD2 3.44Å; R465-D491 PolarHBondContact NH1-OD2 2.86Å; R465-D491 IonicContact NH2-OD1 2.91Å; R465-D491 PolarHBondContact NH2-OD1 2.98Å; R465-D491 IonicContact NH2-OD2 2.68Å; R465-D491 PolarHBondContact NH2-OD2 3.24Å; D491-T493 VanDerWaalsContact C-N 3.26Å
492G83.5Confident92.5Very high63 Ų6348.7 Ų48.765%0.64929%0.293SS*.THydrogen-bonded Turntrans84.1-0.2-17600000113.4D489 V490D489-G492 WeakPolarHBondContact OD1-CA 3.23Å; D489-G492 PolarHBondContact OD1-N 2.92Å; V490-G492 VanDerWaalsContact C-N 3.27Å; V490-G492 PolarHBondContact O-N 3.25Å
493T89.6Confident92.6Very high70 Ų7056 Ų5643%0.42932%0.322SS..EExtended strand (participates in β ladder)trans-99.3120.7170.8-55.60000109.1V490 D491 Y495V490-T493 PolarHBondContact N-O 3.48Å; V490-T493 WeakPolarHBondContact O-CB 3.11Å; V490-T493 PolarHBondContact O-N 3.12Å; D491-T493 VanDerWaalsContact C-N 3.26Å; T493-Y495 HydrophobicContact CG2-CD2 4.12Å; T493-Y495 HydrophobicContact CG2-CE1 4.13Å; T493-Y495 HydrophobicContact CG2-CE2 3.5Å; T493-Y495 VanDerWaalsContact O-CD2 3.3Å; T493-Y495 WeakPolarHBondContact O-CD2 3.39Å; T493-Y495 WeakPolarHBondContact O-CE2 3.35Å
494V92.6Very high92.6Very high89 Ų8955.1 Ų55.154%0.53932%0.317SS..EExtended strand (participates in β ladder)trans-88.1118.9176.2-177.90000109.2V488 D489V488-V494 WeakPolarHBondContact O-CA 3.35Å; D489-V494 HydrophobicContact CB-CG2 4.44Å
495Y94.6Very high92.6Very high42 Ų4254 Ų5417%0.16531%0.313CS..EExtended strand (participates in β ladder)trans-102.6131.4176.8-65.4-91.9000110.2S487 V488 V490 T493 K512 V513 A516S487-Y495 CarbonylContact C-O 3.54Å; S487-Y495 WeakPolarHBondContact CA-O 3.4Å; S487-Y495 WeakPolarHBondContact CB-O 3.19Å; V488-Y495 PolarHBondContact N-O 3.39Å; V488-Y495 PolarHBondContact O-N 2.83Å; V490-Y495 HydrophobicContact CB-CD2 4.02Å; V490-Y495 HydrophobicContact CB-CE2 3.87Å; V490-Y495 HydrophobicContact CG1-CE2 4.28Å; V490-Y495 HydrophobicContact CG2-CD2 4.41Å; T493-Y495 HydrophobicContact CG2-CD2 4.12Å; T493-Y495 HydrophobicContact CG2-CE1 4.13Å; T493-Y495 HydrophobicContact CG2-CE2 3.5Å; T493-Y495 VanDerWaalsContact O-CD2 3.3Å; T493-Y495 WeakPolarHBondContact O-CD2 3.39Å; T493-Y495 WeakPolarHBondContact O-CE2 3.35Å; Y495-K512 HydrophobicContact CD1-CG 4.36Å; Y495-V513 HydrophobicContact CD1-CG2 4.14Å; Y495-V513 HydrophobicContact CD2-CG2 3.64Å; Y495-V513 HydrophobicContact CE2-CG2 4.34Å; Y495-V513 HydrophobicContact CG-CG2 3.5Å; Y495-V513 VanDerWaalsContact CG-CG2 3.5Å; Y495-A516 HydrophobicContact CE1-CB 3.46Å; Y495-A516 VanDerWaalsContact CE1-CB 3.46Å; Y495-A516 WeakPolarHBondContact OH-CB 3.32Å
496E95.6Very high92.6Very high92 Ų9256.9 Ų56.943%0.4332%0.324SS..EExtended strand (participates in β ladder)trans-127.8137.8-176-174.9174.5150.800111.3L473 T485 M486 K512L473-E496 VanDerWaalsContact CD1-CD 3.49Å; L473-E496 HydrophobicContact CD1-CG 4Å; L473-E496 WeakPolarHBondContact CD1-OE2 3.43Å; T485-E496 HydrophobicContact CG2-CG 3.46Å; T485-E496 VanDerWaalsContact CG2-CG 3.46Å; T485-E496 WeakPolarHBondContact CG2-OE1 3.24Å; M486-E496 WeakPolarHBondContact O-CA 3.34Å; E496-K512 WeakPolarHBondContact O-CD 3.19Å; E496-K512 PolarHBondContact O-NZ 3.38Å
497A95.4Very high92.4Very high18 Ų1859 Ų5915%0.14934%0.335CS..EExtended strand (participates in β ladder)trans-155.9152.7172.300000111.5M486 H508 V509M486-A497 PolarHBondContact N-O 2.98Å; M486-A497 PolarHBondContact O-N 2.97Å; M486-A497 VanDerWaalsContact O-N 3.1Å; A497-H508 HydrophobicContact CB-CB 3.77Å; A497-V509 HydrophobicContact CB-CG2 3.79Å
498S94.4Very high92.3Very high60 Ų6062.9 Ų62.942%0.4235%0.352SS..EExtended strand (participates in β ladder)trans-104.3166.1-179.260.90000113F484 H508F484-S498 CarbonylContact O-C 3.57Å; F484-S498 VanDerWaalsContact O-CA 3.23Å; F484-S498 WeakPolarHBondContact O-CA 3.45Å; S498-H508 PolarHBondContact O-ND1 3.4Å
499G94Very high92.3Very high10 Ų1062.8 Ų62.810%0.10335%0.351CS..EExtended strand (participates in β ladder)trans-175.3162171.300000112.9F484 S501F484-G499 PolarHBondContact N-O 2.92Å; F484-G499 PolarHBondContact O-N 3.36Å; G499-S501 PolarHBondContact O-N 3.03Å
500S90.4Very high92.4Very high85 Ų8558.3 Ų58.359%0.59433%0.327SS*.SBendtrans-59.6-9.2-179.753.70000115.8P482 T504P482-S500 CarbonylContact O-C 3.56Å; P482-S500 WeakPolarHBondContact O-CA 3.3Å; S500-T504 PolarHBondContact N-OG1 2.89Å; S500-T504 PolarHBondContact OG-OG1 2.9Å
501S93.8Very high92.6Very high38 Ų3859.8 Ų59.827%0.26634%0.336SS..SBendtrans-149.2155.8175.373.80000110.6G499 K503 T504 A505G499-S501 PolarHBondContact O-N 3.03Å; S501-K503 PolarHBondContact O-N 2.91Å; S501-K503 PolarHBondContact OG-N 2.89Å; S501-T504 PolarHBondContact N-OG1 2.93Å; S501-T504 PolarHBondContact O-N 2.88Å; S501-T504 VanDerWaalsContact O-N 3.16Å; S501-T504 PolarHBondContact O-OG1 3.38Å; S501-T504 PolarHBondContact OG-N 2.84Å; S501-T504 PolarHBondContact OG-OG1 2.91Å; S501-A505 WeakPolarHBondContact O-CB 3.34Å; S501-A505 PolarHBondContact O-N 3.31Å
502K91.4Very high93Very high101 Ų10158.8 Ų58.844%0.43933%0.326SS..Hα-helixtrans-56.1-18.7170.6-59.4-177.9-172.61800113L472 F484 K506L472-K502 HydrophobicContact CD2-CD 4.45Å; F484-K502 HydrophobicContact CB-CG 4.2Å; F484-K502 HydrophobicContact CD1-CD 4.07Å; F484-K502 VanDerWaalsContact CD1-CE 3.41Å; F484-K502 HydrophobicContact CD1-CG 3.37Å; F484-K502 HydrophobicContact CD2-CG 4.2Å; F484-K502 HydrophobicContact CE1-CD 4.03Å; F484-K502 HydrophobicContact CE1-CG 3.63Å; F484-K502 HydrophobicContact CE2-CG 4.38Å; F484-K502 HydrophobicContact CG-CG 3.66Å; F484-K502 HydrophobicContact CZ-CG 4.13Å; K502-K506 WeakPolarHBondContact O-CB 3.47Å; K502-K506 WeakPolarHBondContact O-CD 3.34Å; K502-K506 WeakPolarHBondContact O-CG 3.2Å
503K91.3Very high93.5Very high177 Ų17755.8 Ų55.877%0.7730%0.295SS*.Hα-helixtrans-85.4-45.7177.7-173.7-175.9177-170.70111.8S501 L507S501-K503 PolarHBondContact O-N 2.91Å; S501-K503 PolarHBondContact OG-N 2.89Å; K503-L507 PolarHBondContact O-N 2.8Å; K503-L507 VanDerWaalsContact O-N 3.12Å
504T92.3Very high93.6Very high40 Ų4052.5 Ų52.525%0.24528%0.275CS..Hα-helixtrans-70.3-41.5177.346.70000111.3S500 S501 K506 L507 H508S500-T504 PolarHBondContact N-OG1 2.89Å; S500-T504 PolarHBondContact OG-OG1 2.9Å; S501-T504 PolarHBondContact N-OG1 2.93Å; S501-T504 PolarHBondContact O-N 2.88Å; S501-T504 VanDerWaalsContact O-N 3.16Å; S501-T504 PolarHBondContact O-OG1 3.38Å; S501-T504 PolarHBondContact OG-N 2.84Å; S501-T504 PolarHBondContact OG-OG1 2.91Å; T504-K506 PolarHBondContact O-N 2.88Å; T504-L507 WeakPolarHBondContact O-CA 3.46Å; T504-L507 WeakPolarHBondContact O-CB 3.49Å; T504-L507 PolarHBondContact O-N 3.04Å; T504-H508 PolarHBondContact O-CD2 2.87Å; T504-H508 PolarHBondContact O-N 2.91Å
505A94.9Very high93.5Very high0 Ų052.4 Ų52.40%027%0.268CS..Hα-helixtrans-57.8-46.3173.200000112.6F484 M486 S501 L507 H508 V509F484-A505 HydrophobicContact CB-CB 4.25Å; F484-A505 WeakPolarHBondContact O-CB 3.24Å; M486-A505 HydrophobicContact CB-CB 4.05Å; M486-A505 HydrophobicContact CG-CB 3.46Å; M486-A505 VanDerWaalsContact CG-CB 3.46Å; S501-A505 WeakPolarHBondContact O-CB 3.34Å; S501-A505 PolarHBondContact O-N 3.31Å; A505-L507 VanDerWaalsContact C-N 3.29Å; A505-L507 PolarHBondContact O-N 3.13Å; A505-H508 PolarHBondContact O-N 3.09Å; A505-V509 WeakPolarHBondContact O-CG2 3.13Å; A505-V509 PolarHBondContact O-N 3.34Å
506K94.7Very high93.1Very high76 Ų7653.2 Ų53.233%0.3328%0.284SS..Hα-helixtrans-59.4-38.4173.2-79.9179.3-176.5-177.10112.6L458 Y470 M486 K502 T504 A510L458-K506 HydrophobicContact CD1-CB 3.82Å; L458-K506 WeakPolarHBondContact CD1-O 3.4Å; Y470-K506 HydrophobicContact CD1-CB 4.25Å; Y470-K506 HydrophobicContact CD1-CG 3.85Å; Y470-K506 HydrophobicContact CE1-CB 4.37Å; Y470-K506 HydrophobicContact CE1-CG 4.45Å; Y470-K506 HydrophobicContact CG-CD 4.33Å; Y470-K506 HydrophobicContact CG-CG 4.11Å; M486-K506 HydrophobicContact CB-CG 4.45Å; M486-K506 HydrophobicContact CE-CD 4.26Å; M486-K506 VanDerWaalsContact CE-CE 3.42Å; M486-K506 HydrophobicContact CE-CG 3.77Å; M486-K506 HydrophobicContact CG-CG 4Å; M486-K506 HydrophobicContact SD-CG 4.29Å; K502-K506 WeakPolarHBondContact O-CB 3.47Å; K502-K506 WeakPolarHBondContact O-CD 3.34Å; K502-K506 WeakPolarHBondContact O-CG 3.2Å; T504-K506 PolarHBondContact O-N 2.88Å; K506-A510 PolarHBondContact O-N 3.05Å
507L93.8Very high92.7Very high48 Ų4851.4 Ų51.425%0.25128%0.276SS..Hα-helixtrans-65.7-45.7177.3-17763.7000111.4N456 A457 L458 K503 T504 A505 A510 V511N456-L507 WeakPolarHBondContact OD1-CD1 3.41Å; A457-L507 HydrophobicContact CB-CD1 3.96Å; L458-L507 HydrophobicContact CB-CD1 4.22Å; K503-L507 PolarHBondContact O-N 2.8Å; K503-L507 VanDerWaalsContact O-N 3.12Å; T504-L507 WeakPolarHBondContact O-CA 3.46Å; T504-L507 WeakPolarHBondContact O-CB 3.49Å; T504-L507 PolarHBondContact O-N 3.04Å; A505-L507 VanDerWaalsContact C-N 3.29Å; A505-L507 PolarHBondContact O-N 3.13Å; L507-A510 WeakPolarHBondContact O-CB 3.49Å; L507-A510 PolarHBondContact O-N 3.05Å; L507-A510 VanDerWaalsContact O-N 3.12Å; L507-V511 WeakPolarHBondContact O-CG2 3.29Å; L507-V511 PolarHBondContact O-N 3.01Å
508H94.1Very high92Very high90 Ų9053.8 Ų53.842%0.41730%0.302SS..Hα-helixtrans-63.4-41177.5-62.3170.8000112A497 S498 T504 A505 A510 V511 K512A497-H508 HydrophobicContact CB-CB 3.77Å; S498-H508 PolarHBondContact O-ND1 3.4Å; T504-H508 PolarHBondContact O-CD2 2.87Å; T504-H508 PolarHBondContact O-N 2.91Å; A505-H508 PolarHBondContact O-N 3.09Å; H508-A510 VanDerWaalsContact C-N 3.3Å; H508-A510 PolarHBondContact O-N 2.84Å; H508-V511 PolarHBondContact O-N 3.19Å; H508-K512 WeakPolarHBondContact O-CB 3.41Å; H508-K512 PolarHBondContact O-N 3.01Å
509V96.2Very high91.4Very high0 Ų055.2 Ų55.20%030%0.299CS..Hα-helixtrans-56.6-45.9170.9172.10000110.6Y470 M486 V488 A497 A505 V511 K512 V513Y470-V509 HydrophobicContact CD1-CG1 4.17Å; Y470-V509 HydrophobicContact CE1-CB 4.21Å; Y470-V509 HydrophobicContact CE1-CG1 3.87Å; M486-V509 HydrophobicContact CB-CG2 3.84Å; M486-V509 WeakPolarHBondContact O-CG2 3.19Å; V488-V509 HydrophobicContact CB-CG1 3.94Å; V488-V509 HydrophobicContact CG1-CG1 3.3Å; A497-V509 HydrophobicContact CB-CG2 3.79Å; A505-V509 WeakPolarHBondContact O-CG2 3.13Å; A505-V509 PolarHBondContact O-N 3.34Å; V509-V511 PolarHBondContact O-N 3.45Å; V509-K512 PolarHBondContact O-N 3.34Å; V509-V513 HydrophobicContact CG1-CG2 4.4Å; V509-V513 VanDerWaalsContact O-CG2 3.24Å; V509-V513 WeakPolarHBondContact O-CG2 3.47Å; V509-V513 PolarHBondContact O-N 2.9Å
510A93.9Very high90.4Very high0 Ų058.8 Ų58.80%032%0.32CS..Hα-helixtrans-67.2-33.6179.500000113.8A457 L458 L461 K506 L507 H508 L514A457-A510 HydrophobicContact CB-CB 4.38Å; L458-A510 HydrophobicContact CB-CB 4.46Å; L458-A510 HydrophobicContact CD1-CB 3.91Å; L461-A510 HydrophobicContact CB-CB 4.29Å; L461-A510 HydrophobicContact CD2-CB 3.72Å; K506-A510 PolarHBondContact O-N 3.05Å; L507-A510 WeakPolarHBondContact O-CB 3.49Å; L507-A510 PolarHBondContact O-N 3.05Å; L507-A510 VanDerWaalsContact O-N 3.12Å; H508-A510 VanDerWaalsContact C-N 3.3Å; H508-A510 PolarHBondContact O-N 2.84Å; A510-L514 WeakPolarHBondContact O-CB 3.43Å; A510-L514 VanDerWaalsContact O-CG 3.24Å; A510-L514 WeakPolarHBondContact O-CG 3.31Å; A510-L514 PolarHBondContact O-N 3.1Å
511V93.1Very high89.3Confident34 Ų3455.8 Ų55.821%0.20630%0.298CS..Hα-helixtrans-62.2-52.8171.5171.40000110A457 L507 H508 V509 V513 L514 Q515 T521A457-V511 HydrophobicContact CB-CG2 3.54Å; L507-V511 WeakPolarHBondContact O-CG2 3.29Å; L507-V511 PolarHBondContact O-N 3.01Å; H508-V511 PolarHBondContact O-N 3.19Å; V509-V511 PolarHBondContact O-N 3.45Å; V511-V513 VanDerWaalsContact C-N 3.31Å; V511-V513 PolarHBondContact O-N 3.38Å; V511-L514 PolarHBondContact O-N 3.04Å; V511-Q515 HydrophobicContact CG1-CG 4.35Å; V511-Q515 WeakPolarHBondContact O-CG 3.43Å; V511-Q515 PolarHBondContact O-N 3.2Å; V511-T521 HydrophobicContact CG1-CG2 4.3Å
512K93.7Very high87.5Confident102 Ų10258.4 Ų58.444%0.44333%0.332SS..Hα-helixtrans-58.4-39.5-179.5-168.3172-180173.30112.9Y495 E496 H508 V509 A516Y495-K512 HydrophobicContact CD1-CG 4.36Å; E496-K512 WeakPolarHBondContact O-CD 3.19Å; E496-K512 PolarHBondContact O-NZ 3.38Å; H508-K512 WeakPolarHBondContact O-CB 3.41Å; H508-K512 PolarHBondContact O-N 3.01Å; V509-K512 PolarHBondContact O-N 3.34Å; K512-A516 WeakPolarHBondContact O-CB 3.38Å; K512-A516 PolarHBondContact O-N 3.41Å; K512-A516 VanDerWaalsContact O-N 3.1Å
513V93.6Very high85.5Confident0 Ų060.6 Ų60.60%034%0.341CS..Hα-helixtrans-65.5-44.9172.9171.60000111.9L461 V488 V490 Y495 V509 V511 A516 M517L461-V513 HydrophobicContact CD1-CG1 3.56Å; L461-V513 HydrophobicContact CD2-CB 3.8Å; L461-V513 HydrophobicContact CD2-CG1 3.67Å; L461-V513 HydrophobicContact CD2-CG2 4.24Å; L461-V513 HydrophobicContact CG-CG1 4.29Å; V488-V513 HydrophobicContact CG1-CG2 3.66Å; V490-V513 HydrophobicContact CB-CG1 4.49Å; V490-V513 HydrophobicContact CG1-CG1 4.19Å; V490-V513 HydrophobicContact CG2-CG1 3.93Å; V490-V513 HydrophobicContact CG2-CG2 4.2Å; Y495-V513 HydrophobicContact CD1-CG2 4.14Å; Y495-V513 HydrophobicContact CD2-CG2 3.64Å; Y495-V513 HydrophobicContact CE2-CG2 4.34Å; Y495-V513 HydrophobicContact CG-CG2 3.5Å; Y495-V513 VanDerWaalsContact CG-CG2 3.5Å; V509-V513 HydrophobicContact CG1-CG2 4.4Å; V509-V513 VanDerWaalsContact O-CG2 3.24Å; V509-V513 WeakPolarHBondContact O-CG2 3.47Å; V509-V513 PolarHBondContact O-N 2.9Å; V511-V513 VanDerWaalsContact C-N 3.31Å; V511-V513 PolarHBondContact O-N 3.38Å; V513-A516 PolarHBondContact O-N 2.93Å; V513-M517 HydrophobicContact CG1-CE 3.78Å; V513-M517 HydrophobicContact CG1-CG 4.49Å; V513-M517 HydrophobicContact CG1-SD 4.35Å; V513-M517 WeakPolarHBondContact O-CB 3.22Å; V513-M517 WeakPolarHBondContact O-CG 3.22Å; V513-M517 PolarHBondContact O-N 3.04Å
514L91.3Very high82.8Confident1 Ų159.9 Ų59.91%0.00535%0.346CS..Hα-helixtrans-67.5-37.8-179-75.1174.5000112.4A457 R460 L461 I464 A510 V511 M517 G518 Y519 T521A457-L514 HydrophobicContact CB-CD1 3.89Å; A457-L514 WeakPolarHBondContact O-CD1 3.27Å; R460-L514 HydrophobicContact CB-CD1 3.9Å; L461-L514 HydrophobicContact CB-CD1 4.35Å; L461-L514 HydrophobicContact CB-CD2 4.19Å; L461-L514 HydrophobicContact CB-CG 4.19Å; L461-L514 HydrophobicContact CD1-CD2 4.29Å; I464-L514 HydrophobicContact CD1-CD2 3.56Å; A510-L514 WeakPolarHBondContact O-CB 3.43Å; A510-L514 VanDerWaalsContact O-CG 3.24Å; A510-L514 WeakPolarHBondContact O-CG 3.31Å; A510-L514 PolarHBondContact O-N 3.1Å; V511-L514 PolarHBondContact O-N 3.04Å; L514-M517 CarbonylContact O-C 3.36Å; L514-M517 PolarHBondContact O-N 2.97Å; L514-G518 PolarHBondContact O-N 3.35Å; L514-Y519 HydrophobicContact CD2-CD2 3.89Å; L514-Y519 HydrophobicContact CD2-CG 4.27Å; L514-Y519 PolarHBondContact O-N 2.92Å; L514-T521 HydrophobicContact CB-CG2 3.77Å; L514-T521 HydrophobicContact CD1-CG2 4.16Å
515Q90.5Very high80.3Confident86 Ų8661.8 Ų61.840%0.40236%0.361SS..Hα-helixtrans-59.4-49.7171.1-72.2170-39.700110.8V511 M517 G518 T521 F523V511-Q515 HydrophobicContact CG1-CG 4.35Å; V511-Q515 WeakPolarHBondContact O-CG 3.43Å; V511-Q515 PolarHBondContact O-N 3.2Å; Q515-M517 PolarHBondContact O-N 3.27Å; Q515-G518 PolarHBondContact O-N 2.95Å; Q515-T521 WeakPolarHBondContact CG-OG1 3.49Å; Q515-F523 PolarHBondContact NE2-O 3.26Å
516A87.5Confident77.7Confident60 Ų6069.5 Ų69.550%0.49640%0.403SS..Hα-helixtrans-64.6-24.417700000113.9Y495 K512 V513 G518Y495-A516 HydrophobicContact CE1-CB 3.46Å; Y495-A516 VanDerWaalsContact CE1-CB 3.46Å; Y495-A516 WeakPolarHBondContact OH-CB 3.32Å; K512-A516 WeakPolarHBondContact O-CB 3.38Å; K512-A516 PolarHBondContact O-N 3.41Å; K512-A516 VanDerWaalsContact O-N 3.1Å; V513-A516 PolarHBondContact O-N 2.93Å; A516-G518 VanDerWaalsContact C-N 3.32Å
517M85.4Confident74.8Confident54 Ų5473.7 Ų73.727%0.26643%0.428SS..THydrogen-bonded Turntrans-83.7-0170.3-72.6-171.7-17600114.1L461 I464 V490 V513 L514 Q515 Y519L461-M517 HydrophobicContact CD1-CE 4.08Å; L461-M517 HydrophobicContact CD1-SD 4.37Å; I464-M517 HydrophobicContact CG2-SD 4.21Å; V490-M517 HydrophobicContact CG1-CE 3.29Å; V513-M517 HydrophobicContact CG1-CE 3.78Å; V513-M517 HydrophobicContact CG1-CG 4.49Å; V513-M517 HydrophobicContact CG1-SD 4.35Å; V513-M517 WeakPolarHBondContact O-CB 3.22Å; V513-M517 WeakPolarHBondContact O-CG 3.22Å; V513-M517 PolarHBondContact O-N 3.04Å; L514-M517 CarbonylContact O-C 3.36Å; L514-M517 PolarHBondContact O-N 2.97Å; Q515-M517 PolarHBondContact O-N 3.27Å; M517-Y519 HydrophobicContact CB-CD2 3.58Å; M517-Y519 HydrophobicContact CB-CE2 3.72Å; M517-Y519 HydrophobicContact SD-CD2 4.5Å; M517-Y519 HydrophobicContact SD-CE2 4.1Å
518G81.7Confident71.8Confident67 Ų6779.2 Ų79.269%0.69146%0.457SS*.THydrogen-bonded Turntrans76.520.6179.300000115.4L514 Q515 A516L514-G518 PolarHBondContact O-N 3.35Å; Q515-G518 PolarHBondContact O-N 2.95Å; A516-G518 VanDerWaalsContact C-N 3.32Å
519Y81.5Confident69.7Low91 Ų9180 Ų8036%0.35747%0.47SS..  trans-90.8135.2174.9-68.4-83000111.4I464 L514 M517 T521I464-Y519 HydrophobicContact CD1-CD1 4.41Å; I464-Y519 HydrophobicContact CD1-CD2 4Å; I464-Y519 HydrophobicContact CD1-CE1 4.05Å; I464-Y519 HydrophobicContact CD1-CE2 3.62Å; I464-Y519 HydrophobicContact CD1-CG 4.38Å; L514-Y519 HydrophobicContact CD2-CD2 3.89Å; L514-Y519 HydrophobicContact CD2-CG 4.27Å; L514-Y519 PolarHBondContact O-N 2.92Å; M517-Y519 HydrophobicContact CB-CD2 3.58Å; M517-Y519 HydrophobicContact CB-CE2 3.72Å; M517-Y519 HydrophobicContact SD-CD2 4.5Å; M517-Y519 HydrophobicContact SD-CE2 4.1Å; Y519-T521 PolarHBondContact O-N 3.1Å
520P73.3Confident66.5Low84 Ų8489 Ų8955%0.54552%0.515SS..  trans-67.6101.6175.827.1-33.6000110.7R460R460-P520 PolarHBondContact NH1-O 3.35Å
521T67Low63.3Low22 Ų2293.7 Ų93.714%0.13555%0.548CS..  trans-89.3124.9155.555.70000106.6V511 L514 Q515 Y519 F523V511-T521 HydrophobicContact CG1-CG2 4.3Å; L514-T521 HydrophobicContact CB-CG2 3.77Å; L514-T521 HydrophobicContact CD1-CG2 4.16Å; Q515-T521 WeakPolarHBondContact CG-OG1 3.49Å; Y519-T521 PolarHBondContact O-N 3.1Å; T521-F523 PolarHBondContact O-N 2.9Å
522G56.6Low60.3Low94 Ų9496.6 Ų96.697%0.96957%0.569SS**SBendtrans-71.459.9-174.800000114
523F49.8Very low57.2Low146 Ų14698.7 Ų98.764%0.6459%0.586SS**  trans-152.776.3178.6-160.3-86.8000105.5Q515 T521 S525Q515-F523 PolarHBondContact NE2-O 3.26Å; T521-F523 PolarHBondContact O-N 2.9Å; F523-S525 WeakPolarHBondContact CD1-OG 3.18Å; F523-S525 WeakPolarHBondContact CE1-OG 3.27Å
524D34.8Very low54.3Low162 Ų162105.9 Ų105.987%0.86662%0.619SS**  trans-82127.9167.7-115.8-50.4000107.2
525S39.7Very low51.5Low81 Ų81113.9 Ų113.957%0.56665%0.654SS**  trans-134.793.9176-65.50000107F523 L527F523-S525 WeakPolarHBondContact CD1-OG 3.18Å; F523-S525 WeakPolarHBondContact CE1-OG 3.27Å; S525-L527 VanDerWaalsContact C-N 3.34Å; S525-L527 PolarHBondContact O-N 3.43Å
526D39.1Very low48.6Very low162 Ų162114.2 Ų114.287%0.86667%0.666SS**  trans-7581.5-177.5-167.618.1000109.6
527L33.4Very low45.7Very low164 Ų164118.6 Ų118.686%0.85968%0.681SS**  trans-149.5108.3172.9-74.1-177.5000111.2S525S525-L527 VanDerWaalsContact C-N 3.34Å; S525-L527 PolarHBondContact O-N 3.43Å
528D30.6Very low43Very low163 Ų163120.2 Ų120.287%0.87270%0.697SS**  trans-95.2161.4160.7-113.2-21000110.2
529P50Low40.5Very low107 Ų107124 Ų12470%0.69570%0.697SS**  trans-101.5163.6-149.338.3-39.4000115.4
530M29.2Very low38Very low188 Ų188122.7 Ų122.793%0.92671%0.711SS**  trans-168.1137.9141.1-91.5-109.8174.700114.1
531S28.3Very low36.1Very low99 Ų99122.9 Ų122.969%0.69270%0.704SS**  trans73.293.9140.8-168.90000122.8
532S29.4Very low35Very low95 Ų95125.4 Ų125.466%0.66472%0.722SS**  84.6137.5120.1-48.60000124
533D28.4Very low33.6Very low147 Ų147126.4 Ų126.479%0.78670%0.701SS**  trans82.7101.6149-57.3-33.8000123.7
534E33.7Very low33.1Very low150 Ų150124.8 Ų124.870%0.70170%0.704SS**  trans52.9123.8132-63.6-134.492.900124.6
535K31.8Very low32.8Very low170 Ų170122.7 Ų122.774%0.73970%0.702SS**  trans66.3143.9142.4-73.7-173.3-177.594.20118.7
536S28.8Very low32.3Very low93 Ų93123.3 Ų123.365%0.6571%0.706SS**  cis-159.91512.141.10000111.2
537D27.1Very low31.9Very low151 Ų151124.7 Ų124.781%0.80771%0.707SS**  trans34.3144.6136.6-57.6-28000121.7
538S28.8Very low31.6Very low88 Ų88123 Ų12362%0.61571%0.709SS**  cis179.8142.7-950.80000110.5
539E29.8Very low31.6Very low148 Ų148120.3 Ų120.369%0.69270%0.703SS**  trans59.5164.2146.5-61.2178170.600118.3P478P478-E539 WeakPolarHBondContact CD-OE1 3.27Å; P478-E539 HydrophobicContact CG-CG 4.26Å; P478-E539 WeakPolarHBondContact CG-OE1 3.5Å
540G27.7Very low30.6Very low63 Ų63123.5 Ų123.565%0.64971%0.714SS**  cis-168.9160.1-1700000109.4
541K34.9Very low30.7Very low88 Ų88121.5 Ų121.538%0.38371%0.707SS.*  cis125.1155.816.4-173.4-168.2-176.2-155.90107.8P478 H480 A481P478-K541 HydrophobicContact CB-CD 4.46Å; P478-K541 HydrophobicContact CG-CD 4.43Å; P478-K541 PolarHBondContact O-NZ 2.95Å; P478-K541 VanDerWaalsContact O-NZ 3.14Å; H480-K541 HydrophobicContact CB-CG 4.48Å; H480-K541 VanDerWaalsContact CD2-C 3.46Å; H480-K541 WeakPolarHBondContact CD2-CB 3.35Å; H480-K541 WeakPolarHBondContact CD2-CD 3.31Å; H480-K541 WeakPolarHBondContact CD2-CG 3.44Å; A481-K541 VanDerWaalsContact CA-CE 3.44Å; A481-K541 HydrophobicContact CB-CD 4.29Å; A481-K541 HydrophobicContact CB-CG 4.33Å; A481-K541 WeakPolarHBondContact O-CE 3.5Å; A481-K541 PolarHBondContact O-NZ 3.45Å
542S42.3Very low31.2Very low75 Ų75121.7 Ų121.752%0.52471%0.706SS.*  trans-57.1-174.8-173.133.90000117.2H480H480-S542 VanDerWaalsContact CB-C 3.43Å; H480-S542 WeakPolarHBondContact CB-O 3.08Å; H480-S542 PolarHBondContact CD2-O 3.16Å; H480-S542 PolarHBondContact O-OG 3.2Å
543E27.7Very low31Very low114 Ų114122.7 Ų122.753%0.53371%0.708SS.*  trans-150.6160151.4-100.6-59.9141.900111.3H480H480-E543 HydrophobicContact CB-CG 4.17Å; H480-E543 WeakPolarHBondContact CB-OE1 3.38Å; H480-E543 IonicContact CE1-OE1 2.84Å; H480-E543 IonicContact CG-OE1 2.71Å; H480-E543 IonicContact ND1-OE1 3.22Å; H480-E543 PolarHBondContact ND1-OE1 2.98Å
544T39.6Very low31Very low112 Ų112123.9 Ų123.969%0.68771%0.709SS**  trans-152.5126.8179.3-61.10000108.7
545S28.9Very low30.5Very low118 Ų118121.4 Ų121.483%0.82571%0.708SS**  trans-80.3148.6-173.3600000114.2
546S29Very low30.2Very low95 Ų95118.7 Ų118.766%0.66471%0.71SS**  trans-145.9167.1-175.165.10000110.1
547H30.7Very low30Very low191 Ų191122.2 Ų122.288%0.88472%0.722SS**  trans-137.7149.5175-71.5-44.1000113.8
548S26.1Very low30Very low129 Ų129118.8 Ų118.890%0.90272%0.722SS**  trans-154.3158.3168.1-77.40000109.5
549S32.2Very low30Very low105 Ų105119.9 Ų119.973%0.73473%0.73SS**  trans-116.2157.9-157.855.10000114.9
550N28.3Very low30.2Very low174 Ų174119.9 Ų119.993%0.9373%0.734SS**  trans-163.8160.9146.3-94.8-26.6000111.7
551N31.4Very low30.3Very low147 Ų147123.7 Ų123.779%0.78675%0.745SS**  trans-147.4157.1-171.1-173.620.5000111
552P38.5Very low30.2Very low103 Ų103127.3 Ų127.367%0.66977%0.768SS**  -149147.9124.236-18.5000119
553T25.8Very low29.6Very low116 Ų116132.8 Ų132.871%0.71279%0.786SS**  trans74.7116.9145.148.80000124.6
554H27.9Very low29.8Very low171 Ų171134.2 Ų134.279%0.79280%0.802SS**  trans8197.2134.7-91.4-73.9000123.5
555S23.6Very low29.3Very low98 Ų98139.4 Ų139.469%0.68581%0.809SS**  140.6150.2106.7-64.20000116.8
556S25.4Very low29.8Very low113 Ų113140.6 Ų140.679%0.7981%0.811SS**  trans77134.1170.160.60000120.9
557D24.3Very low30.6Very low168 Ų168144.4 Ų144.490%0.89882%0.819SS**  trans56112.2161.2-63.2-4.8000122.4
558G26.6Very low31.8Very low79 Ų79138.1 Ų138.181%0.81481%0.805SS**  trans-94.3168-179.200000116.2
559S29.3Very low34Very low110 Ų110137.5 Ų137.577%0.76980%0.798SS**  trans-172.1124.8132.2-169.90000110.7
560N34.3Very low36.1Very low148 Ų148135 Ų13579%0.79178%0.776SS**  trans-2.2121.9165.5-60.2-53.7000120.9
561T29.2Very low38.7Very low143 Ų143131.4 Ų131.488%0.87776%0.756SS**  trans-137.6140.213742.60000110.6
562L33.1Very low41.1Very low164 Ų164125.5 Ų125.586%0.85973%0.725SS**  trans-80.9139.1-172.8-78.481.6000112.9V564L562-V564 PolarHBondContact O-N 2.85Å
563E30.4Very low42.8Very low191 Ų191126.3 Ų126.389%0.89374%0.741SS**  trans-71.1119.7165.8-61.9-176.715300111.7R565E563-R565 PolarHBondContact O-N 2.98Å; E563-R565 VanDerWaalsContact O-N 3.16Å
564V31.5Very low45.1Very low144 Ų144123.8 Ų123.887%0.87373%0.728SS**  trans-85.687.3171.6-178.60000110.1L562 T566L562-V564 PolarHBondContact O-N 2.85Å; V564-T566 PolarHBondContact O-N 3.44Å
565R29.3Very low47.6Very low221 Ų221118 Ų11883%0.83472%0.715SS**  trans-65.2120.6173.2-174.2175.3-176.6161.10.9111.1E563 Q567E563-R565 PolarHBondContact O-N 2.98Å; E563-R565 VanDerWaalsContact O-N 3.16Å; R565-Q567 PolarHBondContact O-N 3.18Å; R565-Q567 VanDerWaalsContact O-N 3.15Å
566T38.3Very low50.6Low143 Ų143117 Ų11788%0.87770%0.698SS**  trans-58.7115.8176.4-1.30000110.6V564V564-T566 PolarHBondContact O-N 3.44Å
567Q46.1Very low53.6Low175 Ų175114.9 Ų114.982%0.81868%0.678SS**  trans-76.5145.7-178.1-65.3-177.4-1.400111.5R565R565-Q567 PolarHBondContact O-N 3.18Å; R565-Q567 VanDerWaalsContact O-N 3.15Å
568G57.3Low56.8Low58 Ų58106.9 Ų106.960%0.59864%0.635SS**  trans-67.8-177.9173.300000113.1I570G568-I570 PolarHBondContact O-N 3.32Å
569P71.1Confident59.8Low117 Ų117104.9 Ų104.976%0.7661%0.607SS**  trans-55.1127.7179.4-23.733.7000111.9L571P569-L571 PolarHBondContact O-N 3.26Å
570I76.1Confident62.7Low51 Ų51105 Ų10526%0.26260%0.597SS.*  trans-66118.2172.9-58.1179000108.2G568 P578 V625 A628 L632G568-I570 PolarHBondContact O-N 3.32Å; I570-P578 HydrophobicContact CG2-CG 3.98Å; I570-P578 WeakPolarHBondContact O-CD 3.4Å; I570-V625 HydrophobicContact CD1-CG1 3.76Å; I570-A628 HydrophobicContact CB-CB 4.46Å; I570-L632 HydrophobicContact CG2-CD1 3.59Å
571L83.6Confident65.3Low100 Ų10099.5 Ų99.552%0.52457%0.566SS.*  trans-115.8150.6175.4-59.1179.8000110.1P569 K576P569-L571 PolarHBondContact O-N 3.26Å; L571-K576 CarbonylContact C-O 3.57Å; L571-K576 WeakPolarHBondContact CA-O 3.1Å
572T81.7Confident68.2Low22 Ų2292.7 Ų92.714%0.13552%0.524CS..  trans-78.5171.6170.661.60000111S574 G575 K576 P578 E581 L635T572-S574 PolarHBondContact O-N 3.45Å; T572-S574 PolarHBondContact OG1-N 3.07Å; T572-S574 PolarHBondContact OG1-OG 2.99Å; T572-G575 PolarHBondContact O-N 3.39Å; T572-K576 PolarHBondContact N-O 2.91Å; T572-K576 PolarHBondContact OG1-O 2.87Å; T572-P578 HydrophobicContact CG2-CB 3.83Å; T572-P578 HydrophobicContact CG2-CG 3.67Å; T572-E581 VanDerWaalsContact CB-OE2 3.31Å; T572-E581 WeakPolarHBondContact CB-OE2 3.39Å; T572-E581 WeakPolarHBondContact CG2-OE2 3.34Å; T572-E581 PolarHBondContact OG1-OE2 3.23Å; T572-L635 HydrophobicContact CG2-CD1 3.74Å
573A75Confident70.9Confident121 Ų12188.4 Ų88.4100%150%0.502SS*.THydrogen-bonded Turntrans-58.2-15.8171.500000114G575A573-G575 VanDerWaalsContact C-N 3.34Å
574S73.1Confident73.7Confident62 Ų6284.4 Ų84.443%0.43448%0.483SS..THydrogen-bonded Turntrans-87.71173.479.10000113.8T572 K576 E581T572-S574 PolarHBondContact O-N 3.45Å; T572-S574 PolarHBondContact OG1-N 3.07Å; T572-S574 PolarHBondContact OG1-OG 2.99Å; S574-K576 PolarHBondContact O-N 3.15Å; S574-K576 WeakPolarHBondContact OG-CB 3.41Å; S574-K576 WeakPolarHBondContact OG-CG 3.45Å; S574-E581 PolarHBondContact OG-OE2 2.98Å
575G80.1Confident76.3Confident50 Ų5082.4 Ų82.452%0.51546%0.463SS..SBendtrans74.84.7-174.800000114.3T572 A573T572-G575 PolarHBondContact O-N 3.39Å; A573-G575 VanDerWaalsContact C-N 3.34Å
576K86.1Confident79Confident77 Ų7777.2 Ų77.234%0.33544%0.444SS..SBendtrans-91.4164.9179.2-65.5-173.4-180-168.50112L571 T572 S574 E581 E584L571-K576 CarbonylContact C-O 3.57Å; L571-K576 WeakPolarHBondContact CA-O 3.1Å; T572-K576 PolarHBondContact N-O 2.91Å; T572-K576 PolarHBondContact OG1-O 2.87Å; S574-K576 PolarHBondContact O-N 3.15Å; S574-K576 WeakPolarHBondContact OG-CB 3.41Å; S574-K576 WeakPolarHBondContact OG-CG 3.45Å; K576-E581 HydrophobicContact CB-CB 4.4Å; K576-E581 HydrophobicContact CD-CB 4.48Å; K576-E584 IonicContact NZ-OE1 2.71Å; K576-E584 PolarHBondContact NZ-OE1 3.35Å; K576-E584 IonicContact NZ-OE2 2.68Å; K576-E584 PolarHBondContact NZ-OE2 3.23Å
577N89.4Confident81.4Confident69 Ų6981 Ų8137%0.36944%0.442SS..  trans-69.9129.4167.8-177.2-47.3000109.9V579 M580 E581N577-V579 VanDerWaalsContact C-N 3.28Å; N577-V579 PolarHBondContact O-N 2.96Å; N577-V579 WeakPolarHBondContact OD1-CB 3.14Å; N577-V579 PolarHBondContact OD1-N 3.2Å; N577-M580 HydrophobicContact CB-CB 4.15Å; N577-M580 WeakPolarHBondContact O-CA 3.35Å; N577-M580 WeakPolarHBondContact O-CB 3.34Å; N577-M580 PolarHBondContact O-N 3.43Å; N577-E581 PolarHBondContact O-N 2.99Å
578P90.7Very high83.3Confident0 Ų075.8 Ų75.80%044%0.435CS..Hα-helixtrans-53.6-38.3-179.3-25.730.9000114.9I570 T572 M580 E581 L582 A628 A631 L632 L635I570-P578 HydrophobicContact CG2-CG 3.98Å; I570-P578 WeakPolarHBondContact O-CD 3.4Å; T572-P578 HydrophobicContact CG2-CB 3.83Å; T572-P578 HydrophobicContact CG2-CG 3.67Å; P578-M580 VanDerWaalsContact C-N 3.26Å; P578-M580 PolarHBondContact O-N 3.4Å; P578-E581 PolarHBondContact O-N 3.33Å; P578-L582 WeakPolarHBondContact O-CB 3.24Å; P578-L582 PolarHBondContact O-N 3.26Å; P578-A628 WeakPolarHBondContact CB-O 3.32Å; P578-A631 HydrophobicContact CB-CB 4Å; P578-L632 HydrophobicContact CB-CB 3.9Å; P578-L632 HydrophobicContact CG-CB 4.01Å; P578-L632 HydrophobicContact CG-CD1 4.06Å; P578-L632 HydrophobicContact CG-CG 4.44Å; P578-L635 HydrophobicContact CB-CD1 4.26Å; P578-L635 WeakPolarHBondContact O-CD1 3.31Å
579V90.6Very high84.8Confident37 Ų3774.9 Ų74.922%0.22442%0.416CS..Hα-helixtrans-65.6-33.5178.8-174.90000111.2N577 N583 Y591 K627 A628 A631N577-V579 VanDerWaalsContact C-N 3.28Å; N577-V579 PolarHBondContact O-N 2.96Å; N577-V579 WeakPolarHBondContact OD1-CB 3.14Å; N577-V579 PolarHBondContact OD1-N 3.2Å; V579-N583 WeakPolarHBondContact O-CB 3.24Å; V579-N583 PolarHBondContact O-N 2.85Å; V579-Y591 HydrophobicContact CG1-CE2 4.42Å; V579-K627 HydrophobicContact CG2-CG 4.09Å; V579-A628 HydrophobicContact CG2-CB 4.27Å; V579-A631 HydrophobicContact CB-CB 4.45Å; V579-A631 HydrophobicContact CG2-CB 3.98Å
580M89.6Confident85.6Confident112 Ų11277.2 Ų77.255%0.55241%0.414SS*.Hα-helixtrans-74.6-49179.3-169.9-175.6-6000110.8N577 P578 L582 N583 E584N577-M580 HydrophobicContact CB-CB 4.15Å; N577-M580 WeakPolarHBondContact O-CA 3.35Å; N577-M580 WeakPolarHBondContact O-CB 3.34Å; N577-M580 PolarHBondContact O-N 3.43Å; P578-M580 VanDerWaalsContact C-N 3.26Å; P578-M580 PolarHBondContact O-N 3.4Å; M580-L582 PolarHBondContact O-N 3.43Å; M580-N583 PolarHBondContact O-N 3.28Å; M580-E584 WeakPolarHBondContact O-CG 3.4Å; M580-E584 PolarHBondContact O-N 3.41Å
581E89.3Confident86.5Confident33 Ų3376.5 Ų76.515%0.15441%0.409CS..Hα-helixtrans-64.5-39.2179.4-178.8166.2-170.800111.9T572 S574 K576 N577 P578 N583 E584 K585 L635T572-E581 VanDerWaalsContact CB-OE2 3.31Å; T572-E581 WeakPolarHBondContact CB-OE2 3.39Å; T572-E581 WeakPolarHBondContact CG2-OE2 3.34Å; T572-E581 PolarHBondContact OG1-OE2 3.23Å; S574-E581 PolarHBondContact OG-OE2 2.98Å; K576-E581 HydrophobicContact CB-CB 4.4Å; K576-E581 HydrophobicContact CD-CB 4.48Å; N577-E581 PolarHBondContact O-N 2.99Å; P578-E581 PolarHBondContact O-N 3.33Å; E581-N583 VanDerWaalsContact C-N 3.33Å; E581-N583 PolarHBondContact O-N 3.14Å; E581-E584 WeakPolarHBondContact O-CB 3.35Å; E581-E584 PolarHBondContact O-N 3.03Å; E581-K585 WeakPolarHBondContact O-CG 3.49Å; E581-K585 PolarHBondContact O-N 3.46Å; E581-K585 VanDerWaalsContact O-N 3.1Å; E581-L635 HydrophobicContact CB-CD1 3.9Å; E581-L635 HydrophobicContact CG-CD1 4.01Å; E581-L635 HydrophobicContact CG-CD2 4.08Å
582L90.3Very high87Confident0 Ų077.1 Ų77.10%041%0.409CS..Hα-helixtrans-64.9-38175-170.963.8000112.1P578 M580 E584 K585 R586 L589 V609 V611 A631 A634 L635 F639P578-L582 WeakPolarHBondContact O-CB 3.24Å; P578-L582 PolarHBondContact O-N 3.26Å; M580-L582 PolarHBondContact O-N 3.43Å; L582-E584 VanDerWaalsContact C-N 3.33Å; L582-K585 PolarHBondContact O-N 3.1Å; L582-R586 PolarHBondContact O-N 3.36Å; L582-L589 HydrophobicContact CD1-CD1 4.33Å; L582-L589 HydrophobicContact CD2-CD1 3.75Å; L582-L589 HydrophobicContact CG-CD1 3.56Å; L582-V609 HydrophobicContact CD2-CG1 4.46Å; L582-V611 HydrophobicContact CD1-CG1 4.49Å; L582-V611 HydrophobicContact CD1-CG2 4.39Å; L582-V611 HydrophobicContact CD2-CG2 4.1Å; L582-A631 HydrophobicContact CB-CB 4.41Å; L582-A631 HydrophobicContact CD2-CB 3.92Å; L582-A634 HydrophobicContact CD1-CB 4.11Å; L582-A634 HydrophobicContact CD2-CB 3.76Å; L582-L635 HydrophobicContact CB-CD1 4.2Å; L582-L635 HydrophobicContact CB-CD2 4.05Å; L582-L635 HydrophobicContact CB-CG 3.92Å; L582-L635 HydrophobicContact CD1-CD2 3.8Å; L582-L635 HydrophobicContact CD1-CG 3.96Å; L582-L635 HydrophobicContact CG-CG 4.46Å; L582-F639 HydrophobicContact CD1-CD2 4.42Å; L582-F639 HydrophobicContact CD1-CE2 3.97Å
583N90.4Very high87.6Confident73 Ų7379.5 Ų79.539%0.3942%0.42SS..Hα-helixtrans-72.7-22.7175.2-17463.5000113.2V579 M580 E581 R586 R587 G588V579-N583 WeakPolarHBondContact O-CB 3.24Å; V579-N583 PolarHBondContact O-N 2.85Å; M580-N583 PolarHBondContact O-N 3.28Å; E581-N583 VanDerWaalsContact C-N 3.33Å; E581-N583 PolarHBondContact O-N 3.14Å; N583-R586 WeakPolarHBondContact CA-O 3.43Å; N583-R586 CarbonylContact O-C 3.53Å; N583-R587 WeakPolarHBondContact O-CG 3.41Å; N583-G588 PolarHBondContact OD1-N 3.42Å
584E89.3Confident88.5Confident107 Ų10777.1 Ų77.150%0.539%0.39SS..Hα-helixtrans-69-37.9166.7-72.2176.1-175.100111.5K576 M580 E581 L582K576-E584 IonicContact NZ-OE1 2.71Å; K576-E584 PolarHBondContact NZ-OE1 3.35Å; K576-E584 IonicContact NZ-OE2 2.68Å; K576-E584 PolarHBondContact NZ-OE2 3.23Å; M580-E584 WeakPolarHBondContact O-CG 3.4Å; M580-E584 PolarHBondContact O-N 3.41Å; E581-E584 WeakPolarHBondContact O-CB 3.35Å; E581-E584 PolarHBondContact O-N 3.03Å; L582-E584 VanDerWaalsContact C-N 3.33Å
585K85.6Confident89.3Confident103 Ų10376.1 Ų76.145%0.44838%0.383SS..Hα-helixtrans-72.9-43.1175.8-58-60.8-179.4179.50112.7E581 L582 L635 F639E581-K585 WeakPolarHBondContact O-CG 3.49Å; E581-K585 PolarHBondContact O-N 3.46Å; E581-K585 VanDerWaalsContact O-N 3.1Å; L582-K585 PolarHBondContact O-N 3.1Å; K585-L635 HydrophobicContact CG-CD2 4.15Å; K585-F639 HydrophobicContact CB-CD1 4.41Å; K585-F639 HydrophobicContact CB-CE1 3.84Å; K585-F639 HydrophobicContact CB-CE2 4.08Å; K585-F639 HydrophobicContact CB-CZ 3.66Å; K585-F639 HydrophobicContact CD-CD1 4Å; K585-F639 HydrophobicContact CD-CE1 4.15Å; K585-F639 HydrophobicContact CD-CG 4.47Å; K585-F639 HydrophobicContact CG-CD1 4.03Å; K585-F639 HydrophobicContact CG-CD2 4.31Å; K585-F639 HydrophobicContact CG-CE1 3.98Å; K585-F639 HydrophobicContact CG-CE2 4.26Å; K585-F639 HydrophobicContact CG-CG 4.2Å; K585-F639 HydrophobicContact CG-CZ 4.1Å
586R86.6Confident90Very high112 Ų11278.1 Ų78.142%0.42338%0.379SS..SBendtrans-138.8106.8-177-65.8-65.1-168.2-172.82.2109.4L582 N583 L589 V611 D612 F639L582-R586 PolarHBondContact O-N 3.36Å; N583-R586 WeakPolarHBondContact CA-O 3.43Å; N583-R586 CarbonylContact O-C 3.53Å; R586-L589 HydrophobicContact CB-CD1 4Å; R586-L589 HydrophobicContact CB-CD2 4.03Å; R586-L589 HydrophobicContact CB-CG 4.06Å; R586-L589 WeakPolarHBondContact O-CG 3.33Å; R586-V611 HydrophobicContact CG-CG1 4.01Å; R586-D612 IonicContact CZ-OD1 3.06Å; R586-D612 IonicContact CZ-OD2 3.21Å; R586-D612 IonicContact NE-OD1 2.98Å; R586-D612 PolarHBondContact NE-OD1 2.96Å; R586-D612 IonicContact NE-OD2 2.93Å; R586-D612 PolarHBondContact NE-OD2 3.37Å; R586-D612 IonicContact NH1-OD1 3.92Å; R586-D612 IonicContact NH2-OD1 2.98Å; R586-D612 PolarHBondContact NH2-OD1 3.49Å; R586-D612 IonicContact NH2-OD2 2.73Å; R586-D612 PolarHBondContact NH2-OD2 3.21Å; R586-F639 HydrophobicContact CG-CZ 4.34Å
587R88.3Confident90Very high222 Ų22277.7 Ų77.784%0.83839%0.386SS*.THydrogen-bonded Turntrans-76.7139-179.2-57.9-174.675.9-156.52.6110.9N583N583-R587 WeakPolarHBondContact O-CG 3.41Å
588G84.4Confident89.8Confident65 Ų6577.1 Ų77.167%0.6740%0.397SS*.THydrogen-bonded Turntrans90.316.917000000115.9N583N583-G588 PolarHBondContact OD1-N 3.42Å
589L89.9Confident88.9Confident39 Ų3979.1 Ų79.120%0.20442%0.417CS..  trans-63.4132.7176.8-61.9173.3000112.3L582 R586 Y591 V609 E610 V611L582-L589 HydrophobicContact CD1-CD1 4.33Å; L582-L589 HydrophobicContact CD2-CD1 3.75Å; L582-L589 HydrophobicContact CG-CD1 3.56Å; R586-L589 HydrophobicContact CB-CD1 4Å; R586-L589 HydrophobicContact CB-CD2 4.03Å; R586-L589 HydrophobicContact CB-CG 4.06Å; R586-L589 WeakPolarHBondContact O-CG 3.33Å; L589-Y591 HydrophobicContact CB-CE2 4.26Å; L589-V609 HydrophobicContact CB-CG2 4.12Å; L589-V609 HydrophobicContact CD1-CG2 4.34Å; L589-E610 WeakPolarHBondContact CD2-O 3.4Å; L589-V611 HydrophobicContact CD1-CG2 3.91Å; L589-V611 HydrophobicContact CD2-CG1 4.39Å; L589-V611 HydrophobicContact CD2-CG2 4.1Å
590K88.6Confident88Confident166 Ų16682.8 Ų82.872%0.72244%0.444SS*.  trans-89.9146.5172.2-66.2-177.9-179.7179.30110.2V609K590-V609 WeakPolarHBondContact O-CG2 3.27Å
591Y94.5Very high87.1Confident37 Ų3786.3 Ų86.315%0.14546%0.459CS..EExtended strand (participates in β ladder)trans-126.9130.3176.1-67.7-111.1000108.6V579 L589 E608 V609 K627 A631V579-Y591 HydrophobicContact CG1-CE2 4.42Å; L589-Y591 HydrophobicContact CB-CE2 4.26Å; Y591-E608 CarbonylContact C-O 3.55Å; Y591-E608 WeakPolarHBondContact CA-O 3.47Å; Y591-V609 HydrophobicContact CD1-CB 3.6Å; Y591-V609 HydrophobicContact CD1-CG1 4.32Å; Y591-V609 HydrophobicContact CD1-CG2 4.02Å; Y591-V609 HydrophobicContact CD2-CG2 4.21Å; Y591-V609 HydrophobicContact CE1-CB 3.67Å; Y591-V609 HydrophobicContact CE1-CG1 4.02Å; Y591-V609 HydrophobicContact CE1-CG2 3.86Å; Y591-V609 HydrophobicContact CE2-CG2 4.03Å; Y591-V609 HydrophobicContact CG-CB 4.11Å; Y591-V609 HydrophobicContact CG-CG2 4.21Å; Y591-K627 HydrophobicContact CD1-CD 4.16Å; Y591-K627 HydrophobicContact CD1-CG 3.48Å; Y591-K627 VanDerWaalsContact CD1-CG 3.48Å; Y591-K627 HydrophobicContact CE1-CG 3.66Å; Y591-K627 HydrophobicContact CG-CD 4.18Å; Y591-K627 HydrophobicContact CG-CG 4Å; Y591-A631 HydrophobicContact CE1-CB 4.11Å; Y591-A631 WeakPolarHBondContact OH-CB 3.49Å
592E93.5Very high86.5Confident112 Ų11288.7 Ų88.752%0.52347%0.472SS..EExtended strand (participates in β ladder)trans-116.2142.9-174.1-67.8174.9-179.100109.8M607 E608E592-M607 CarbonylContact O-C 3.54Å; E592-M607 WeakPolarHBondContact O-CA 3.45Å; E592-M607 WeakPolarHBondContact O-CE 3.42Å; E592-E608 PolarHBondContact N-O 2.95Å; E592-E608 PolarHBondContact O-N 2.88Å
593L94.6Very high86.4Confident72 Ų7292.7 Ų92.738%0.37749%0.49SS..EExtended strand (participates in β ladder)trans-89118.5175.6178.668.9000107.9S595 F605 M607 K623L593-S595 WeakPolarHBondContact CD1-O 3.43Å; L593-F605 HydrophobicContact CD1-CB 4.22Å; L593-F605 HydrophobicContact CD1-CD1 4.31Å; L593-M607 HydrophobicContact CB-SD 3.96Å; L593-M607 HydrophobicContact CD1-SD 3.68Å; L593-M607 HydrophobicContact CG-SD 4.44Å; L593-K623 HydrophobicContact CD2-CD 4.2Å
594I94Very high86.4Confident71 Ų7195.8 Ų95.836%0.36450%0.496SS..EExtended strand (participates in β ladder)trans-94.1-39.5-177.9-67.6-163.6000111.8V606 E608 R617I594-V606 PolarHBondContact N-O 2.93Å; I594-E608 HydrophobicContact CD1-CB 3.43Å; I594-E608 VanDerWaalsContact CD1-CB 3.43Å; I594-E608 HydrophobicContact CD1-CG 4.05Å; I594-E608 VanDerWaalsContact CD1-OE2 3.29Å; I594-E608 WeakPolarHBondContact CD1-OE2 3.34Å; I594-E608 HydrophobicContact CG1-CB 3.9Å; I594-R617 VanDerWaalsContact CD1-CZ 3.45Å; I594-R617 VanDerWaalsContact CD1-NH2 3.34Å
595S89.7Confident86.7Confident42 Ų4291.4 Ų91.429%0.29448%0.476SS..EExtended strand (participates in β ladder)trans-147.6148.3173.965.30000112.3L593 F605 V606L593-S595 WeakPolarHBondContact CD1-O 3.43Å; S595-F605 WeakPolarHBondContact O-CA 3.45Å; S595-V606 PolarHBondContact N-O 2.84Å; S595-V606 PolarHBondContact O-N 2.89Å; S595-V606 WeakPolarHBondContact OG-CB 3.38Å; S595-V606 VanDerWaalsContact OG-CG2 3.28Å; S595-V606 WeakPolarHBondContact OG-CG2 3.33Å
596E93.8Very high87.1Confident91 Ų9188 Ų8843%0.42546%0.463SS..EExtended strand (participates in β ladder)trans-127.2122.7167.1178.3163.5173.300105.4R604 F605 K623E596-R604 WeakPolarHBondContact CA-O 3.45Å; E596-F605 HydrophobicContact CB-CD1 4.15Å; E596-F605 HydrophobicContact CB-CE1 4.4Å; E596-F605 HydrophobicContact CG-CD1 3.81Å; E596-F605 HydrophobicContact CG-CE1 3.59Å; E596-F605 HydrophobicContact CG-CZ 4.44Å; E596-F605 WeakPolarHBondContact OE1-CE1 3.42Å; E596-F605 WeakPolarHBondContact OE2-CE1 3.5Å; E596-K623 WeakPolarHBondContact OE2-CE 3.49Å; E596-K623 IonicContact OE2-NZ 2.82Å; E596-K623 PolarHBondContact OE2-NZ 2.95Å
597S86.1Confident87.6Confident68 Ų6883.3 Ų83.348%0.47645%0.446SS..EExtended strand (participates in β ladder)trans-151.7145.8-169.8-52.30000110.6R604S597-R604 PolarHBondContact N-O 2.92Å; S597-R604 WeakPolarHBondContact O-CA 3.28Å; S597-R604 PolarHBondContact O-N 3.49Å
598G86.4Confident88Confident58 Ų5873.1 Ų73.160%0.59841%0.408SS*.SBendtrans103.9157.1-177.800000113.7D602G598-D602 WeakPolarHBondContact CA-O 3.32Å
599G71.4Confident88.5Confident41 Ų4170.1 Ų70.142%0.42338%0.377SS..  trans-73.7174-177.300000113.4H601 D602 K603G599-H601 PolarHBondContact O-N 2.89Å; G599-D602 CarbonylContact O-C 3.56Å; G599-D602 PolarHBondContact O-N 3.04Å; G599-K603 WeakPolarHBondContact O-CG 3.43Å; G599-K603 PolarHBondContact O-N 3.15Å
600S72.3Confident88.6Confident114 Ų11473 Ų7380%0.79739%0.389SS*.THydrogen-bonded Turntrans-55.3-24.7-174.3-65.30000115.4
601H70.1Confident88.8Confident186 Ų18665.1 Ų65.186%0.86136%0.355SS*.THydrogen-bonded Turntrans-95.6-13.3179.254.1-102.5000115.2G599G599-H601 PolarHBondContact O-N 2.89Å
602D77Confident88.3Confident83 Ų8367.6 Ų67.644%0.44437%0.371SS..SBendtrans-143.867.6172.3-173.420.6000110.8G598 G599 R604G598-D602 WeakPolarHBondContact CA-O 3.32Å; G599-D602 CarbonylContact O-C 3.56Å; G599-D602 PolarHBondContact O-N 3.04Å; D602-R604 PolarHBondContact O-N 3.33Å
603K88.3Confident87.8Confident84 Ų8465.3 Ų65.337%0.36538%0.377SS..  trans-77.6118.1175.3-65.1-163.8177.3-162.30110.6G599 F605 P621G599-K603 WeakPolarHBondContact O-CG 3.43Å; G599-K603 PolarHBondContact O-N 3.15Å; K603-F605 HydrophobicContact CB-CE2 3.62Å; K603-F605 HydrophobicContact CB-CZ 3.76Å; K603-F605 HydrophobicContact CD-CZ 4.21Å; K603-F605 WeakPolarHBondContact O-CE2 3.24Å; K603-P621 CarbonylContact O-C 3.14Å; K603-P621 VanDerWaalsContact O-C 3.31Å; K603-P621 VanDerWaalsContact O-CA 3.24Å; K603-P621 WeakPolarHBondContact O-CA 3.42Å; K603-P621 VanDerWaalsContact O-O 3.09Å
604R90.9Very high87.6Confident138 Ų13865.5 Ų65.552%0.52138%0.376SS..EExtended strand (participates in β ladder)trans-103.9131.4174.9-165.8159.3-64.3-153.11.7111E596 S597 D602E596-R604 WeakPolarHBondContact CA-O 3.45Å; S597-R604 PolarHBondContact N-O 2.92Å; S597-R604 WeakPolarHBondContact O-CA 3.28Å; S597-R604 PolarHBondContact O-N 3.49Å; D602-R604 PolarHBondContact O-N 3.33Å
605F94.4Very high87.6Confident16 Ų1667.6 Ų67.67%0.0738%0.382CS..EExtended strand (participates in β ladder)trans-118.5139.2-179.1-54.4-93.1000109.4L593 S595 E596 K603 A619 G620 P621 N622 K623 A626L593-F605 HydrophobicContact CD1-CB 4.22Å; L593-F605 HydrophobicContact CD1-CD1 4.31Å; S595-F605 WeakPolarHBondContact O-CA 3.45Å; E596-F605 HydrophobicContact CB-CD1 4.15Å; E596-F605 HydrophobicContact CB-CE1 4.4Å; E596-F605 HydrophobicContact CG-CD1 3.81Å; E596-F605 HydrophobicContact CG-CE1 3.59Å; E596-F605 HydrophobicContact CG-CZ 4.44Å; E596-F605 WeakPolarHBondContact OE1-CE1 3.42Å; E596-F605 WeakPolarHBondContact OE2-CE1 3.5Å; K603-F605 HydrophobicContact CB-CE2 3.62Å; K603-F605 HydrophobicContact CB-CZ 3.76Å; K603-F605 HydrophobicContact CD-CZ 4.21Å; K603-F605 WeakPolarHBondContact O-CE2 3.24Å; F605-A619 CarbonylContact O-C 3.58Å; F605-A619 VanDerWaalsContact O-CA 3.24Å; F605-A619 WeakPolarHBondContact O-CA 3.32Å; F605-G620 PolarHBondContact N-O 3.19Å; F605-G620 PolarHBondContact O-N 2.73Å; F605-P621 WeakPolarHBondContact CE2-O 3.46Å; F605-N622 VanDerWaalsContact CD2-C 3.5Å; F605-K623 HydrophobicContact CB-CG 4.22Å; F605-K623 HydrophobicContact CD1-CD 3.99Å; F605-K623 HydrophobicContact CD1-CG 3.3Å; F605-K623 HydrophobicContact CD2-CG 4.47Å; F605-K623 HydrophobicContact CE1-CD 4.08Å; F605-K623 HydrophobicContact CE1-CG 3.63Å; F605-K623 HydrophobicContact CG-CG 3.74Å; F605-K623 HydrophobicContact CZ-CG 4.37Å; F605-A626 HydrophobicContact CB-CB 4.06Å; F605-A626 VanDerWaalsContact O-CB 3.24Å; F605-A626 WeakPolarHBondContact O-CB 3.5Å
606V94.8Very high87.9Confident31 Ų3166.1 Ų66.119%0.18837%0.371CS..EExtended strand (participates in β ladder)trans-117.7117172.6-177.10000109.2I594 S595 R617 G618 A619I594-V606 PolarHBondContact N-O 2.93Å; S595-V606 PolarHBondContact N-O 2.84Å; S595-V606 PolarHBondContact O-N 2.89Å; S595-V606 WeakPolarHBondContact OG-CB 3.38Å; S595-V606 VanDerWaalsContact OG-CG2 3.28Å; S595-V606 WeakPolarHBondContact OG-CG2 3.33Å; V606-R617 HydrophobicContact CG1-CB 4.37Å; V606-G618 WeakPolarHBondContact CA-O 3.3Å; V606-A619 HydrophobicContact CG2-CB 4.18Å
607M96.6Very high88Confident14 Ų1469.1 Ų69.17%0.06938%0.378CS..EExtended strand (participates in β ladder)trans-104.3142.2177.2-64.9-66.9-5200110E592 L593 R617 G618 A626 K627 A630E592-M607 CarbonylContact O-C 3.54Å; E592-M607 WeakPolarHBondContact O-CA 3.45Å; E592-M607 WeakPolarHBondContact O-CE 3.42Å; L593-M607 HydrophobicContact CB-SD 3.96Å; L593-M607 HydrophobicContact CD1-SD 3.68Å; L593-M607 HydrophobicContact CG-SD 4.44Å; M607-R617 CarbonylContact O-C 3.53Å; M607-R617 VanDerWaalsContact O-CA 3.29Å; M607-R617 WeakPolarHBondContact O-CA 3.33Å; M607-G618 PolarHBondContact N-O 3.09Å; M607-G618 PolarHBondContact O-N 3.48Å; M607-A626 HydrophobicContact CB-CB 4.17Å; M607-A626 HydrophobicContact CG-CB 3.58Å; M607-K627 HydrophobicContact CG-CB 4.18Å; M607-A630 HydrophobicContact CB-CB 4.38Å
608E96.4Very high88.4Confident8 Ų866 Ų664%0.03736%0.357CS..EExtended strand (participates in β ladder)trans-114147.3169.8-172173.39600111.2Y591 E592 I594 K615 F616 R617Y591-E608 CarbonylContact C-O 3.55Å; Y591-E608 WeakPolarHBondContact CA-O 3.47Å; E592-E608 PolarHBondContact N-O 2.95Å; E592-E608 PolarHBondContact O-N 2.88Å; I594-E608 HydrophobicContact CD1-CB 3.43Å; I594-E608 VanDerWaalsContact CD1-CB 3.43Å; I594-E608 HydrophobicContact CD1-CG 4.05Å; I594-E608 VanDerWaalsContact CD1-OE2 3.29Å; I594-E608 WeakPolarHBondContact CD1-OE2 3.34Å; I594-E608 HydrophobicContact CG1-CB 3.9Å; E608-K615 HydrophobicContact CG-CB 4.08Å; E608-K615 HydrophobicContact CG-CG 4.31Å; E608-K615 VanDerWaalsContact OE1-CD 3.22Å; E608-K615 WeakPolarHBondContact OE1-CD 3.46Å; E608-K615 WeakPolarHBondContact OE1-CE 3.33Å; E608-K615 WeakPolarHBondContact OE1-CG 3.49Å; E608-K615 IonicContact OE1-NZ 3.83Å; E608-K615 PolarHBondContact OE1-NZ 3.09Å; E608-F616 CarbonylContact C-O 3.49Å; E608-F616 VanDerWaalsContact CA-O 3.22Å; E608-F616 WeakPolarHBondContact CA-O 3.33Å; E608-R617 HydrophobicContact CB-CG 4.13Å; E608-R617 HydrophobicContact CG-CG 4.07Å; E608-R617 IonicContact OE2-CZ 3.55Å; E608-R617 VanDerWaalsContact OE2-CZ 3.22Å; E608-R617 IonicContact OE2-NE 2.73Å; E608-R617 PolarHBondContact OE2-NE 3.44Å; E608-R617 IonicContact OE2-NH2 3.54Å; E608-R617 PolarHBondContact OE2-NH2 3.22Å
609V95.2Very high88.7Confident1 Ų165.7 Ų65.71%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-133.4135.4168.560.80000109L582 L589 K590 Y591 V611 F616 A630 A634L582-V609 HydrophobicContact CD2-CG1 4.46Å; L589-V609 HydrophobicContact CB-CG2 4.12Å; L589-V609 HydrophobicContact CD1-CG2 4.34Å; K590-V609 WeakPolarHBondContact O-CG2 3.27Å; Y591-V609 HydrophobicContact CD1-CB 3.6Å; Y591-V609 HydrophobicContact CD1-CG1 4.32Å; Y591-V609 HydrophobicContact CD1-CG2 4.02Å; Y591-V609 HydrophobicContact CD2-CG2 4.21Å; Y591-V609 HydrophobicContact CE1-CB 3.67Å; Y591-V609 HydrophobicContact CE1-CG1 4.02Å; Y591-V609 HydrophobicContact CE1-CG2 3.86Å; Y591-V609 HydrophobicContact CE2-CG2 4.03Å; Y591-V609 HydrophobicContact CG-CB 4.11Å; Y591-V609 HydrophobicContact CG-CG2 4.21Å; V609-V611 HydrophobicContact CG1-CG2 4.38Å; V609-V611 HydrophobicContact CG2-CG2 3.94Å; V609-F616 HydrophobicContact CG1-CB 3.87Å; V609-F616 PolarHBondContact N-O 2.93Å; V609-F616 PolarHBondContact O-N 3.18Å; V609-A630 HydrophobicContact CG1-CB 4.23Å; V609-A634 HydrophobicContact CG1-CB 4.27Å
610E93.3Very high89.7Confident100 Ų10064.1 Ų64.147%0.46733%0.332SS..EExtended strand (participates in β ladder)trans-99.1125.2172.8-168.8177.1137.700110L589 Q614 K615L589-E610 WeakPolarHBondContact CD2-O 3.4Å; E610-Q614 CarbonylContact C-O 3.6Å; E610-Q614 WeakPolarHBondContact CA-O 3.49Å; E610-K615 HydrophobicContact CB-CG 4.18Å; E610-K615 HydrophobicContact CG-CG 4.09Å; E610-K615 VanDerWaalsContact OE2-CE 3.27Å; E610-K615 WeakPolarHBondContact OE2-CE 3.41Å; E610-K615 IonicContact OE2-NZ 3.49Å
611V91.6Very high90.5Very high1 Ų162.1 Ų62.11%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-133.3122179.7-168.60000108.4L582 R586 L589 V609 G613 Q614 F616 A634 L638L582-V611 HydrophobicContact CD1-CG1 4.49Å; L582-V611 HydrophobicContact CD1-CG2 4.39Å; L582-V611 HydrophobicContact CD2-CG2 4.1Å; R586-V611 HydrophobicContact CG-CG1 4.01Å; L589-V611 HydrophobicContact CD1-CG2 3.91Å; L589-V611 HydrophobicContact CD2-CG1 4.39Å; L589-V611 HydrophobicContact CD2-CG2 4.1Å; V609-V611 HydrophobicContact CG1-CG2 4.38Å; V609-V611 HydrophobicContact CG2-CG2 3.94Å; V611-G613 PolarHBondContact O-N 3.26Å; V611-Q614 PolarHBondContact N-O 3.1Å; V611-Q614 PolarHBondContact O-N 2.89Å; V611-F616 HydrophobicContact CB-CD2 4.38Å; V611-F616 HydrophobicContact CB-CE2 4.2Å; V611-F616 HydrophobicContact CG2-CD2 4.3Å; V611-A634 HydrophobicContact CG2-CB 4.01Å; V611-L638 HydrophobicContact CB-CD1 3.65Å; V611-L638 HydrophobicContact CG1-CD1 3.48Å; V611-L638 VanDerWaalsContact CG1-CD1 3.48Å
612D83.5Confident91.5Very high89 Ų8957.5 Ų57.548%0.47630%0.298SS..THydrogen-bonded Turntrans51.739.4178.9-60.1-33.9000113.9R586 Q614R586-D612 IonicContact CZ-OD1 3.06Å; R586-D612 IonicContact CZ-OD2 3.21Å; R586-D612 IonicContact NE-OD1 2.98Å; R586-D612 PolarHBondContact NE-OD1 2.96Å; R586-D612 IonicContact NE-OD2 2.93Å; R586-D612 PolarHBondContact NE-OD2 3.37Å; R586-D612 IonicContact NH1-OD1 3.92Å; R586-D612 IonicContact NH2-OD1 2.98Å; R586-D612 PolarHBondContact NH2-OD1 3.49Å; R586-D612 IonicContact NH2-OD2 2.73Å; R586-D612 PolarHBondContact NH2-OD2 3.21Å; D612-Q614 VanDerWaalsContact C-N 3.28Å; D612-Q614 PolarHBondContact O-N 3.2Å
613G83.9Confident92.3Very high63 Ų6358 Ų5865%0.64930%0.297SS*.THydrogen-bonded Turntrans77.16.2-178.800000115V611V611-G613 PolarHBondContact O-N 3.26Å
614Q90.1Very high92.4Very high77 Ų7762.7 Ų62.736%0.3632%0.317SS..EExtended strand (participates in β ladder)trans-110.4132.2174.9-66.7-176.750.400110.9E610 V611 D612 F616E610-Q614 CarbonylContact C-O 3.6Å; E610-Q614 WeakPolarHBondContact CA-O 3.49Å; V611-Q614 PolarHBondContact N-O 3.1Å; V611-Q614 PolarHBondContact O-N 2.89Å; D612-Q614 VanDerWaalsContact C-N 3.28Å; D612-Q614 PolarHBondContact O-N 3.2Å; Q614-F616 HydrophobicContact CB-CD2 4.46Å; Q614-F616 HydrophobicContact CB-CE2 3.55Å; Q614-F616 HydrophobicContact CB-CZ 3.85Å; Q614-F616 VanDerWaalsContact O-CD2 3.27Å; Q614-F616 WeakPolarHBondContact O-CD2 3.17Å; Q614-F616 WeakPolarHBondContact O-CE2 3.49Å
615K94.5Very high92.5Very high114 Ų11458.3 Ų58.350%0.49631%0.305SS..EExtended strand (participates in β ladder)trans-92132.5177.8-76.8165.8170.6-88.10111.2E608 E610E608-K615 HydrophobicContact CG-CB 4.08Å; E608-K615 HydrophobicContact CG-CG 4.31Å; E608-K615 VanDerWaalsContact OE1-CD 3.22Å; E608-K615 WeakPolarHBondContact OE1-CD 3.46Å; E608-K615 WeakPolarHBondContact OE1-CE 3.33Å; E608-K615 WeakPolarHBondContact OE1-CG 3.49Å; E608-K615 IonicContact OE1-NZ 3.83Å; E608-K615 PolarHBondContact OE1-NZ 3.09Å; E610-K615 HydrophobicContact CB-CG 4.18Å; E610-K615 HydrophobicContact CG-CG 4.09Å; E610-K615 VanDerWaalsContact OE2-CE 3.27Å; E610-K615 WeakPolarHBondContact OE2-CE 3.41Å; E610-K615 IonicContact OE2-NZ 3.49Å
616F95.8Very high92.5Very high12 Ų1257.5 Ų57.55%0.05330%0.302CS..EExtended strand (participates in β ladder)trans-125.3128-177.3-65.8-85.5000110.5E608 V609 V611 Q614 A633 A634 K637 L638E608-F616 CarbonylContact C-O 3.49Å; E608-F616 VanDerWaalsContact CA-O 3.22Å; E608-F616 WeakPolarHBondContact CA-O 3.33Å; V609-F616 HydrophobicContact CG1-CB 3.87Å; V609-F616 PolarHBondContact N-O 2.93Å; V609-F616 PolarHBondContact O-N 3.18Å; V611-F616 HydrophobicContact CB-CD2 4.38Å; V611-F616 HydrophobicContact CB-CE2 4.2Å; V611-F616 HydrophobicContact CG2-CD2 4.3Å; Q614-F616 HydrophobicContact CB-CD2 4.46Å; Q614-F616 HydrophobicContact CB-CE2 3.55Å; Q614-F616 HydrophobicContact CB-CZ 3.85Å; Q614-F616 VanDerWaalsContact O-CD2 3.27Å; Q614-F616 WeakPolarHBondContact O-CD2 3.17Å; Q614-F616 WeakPolarHBondContact O-CE2 3.49Å; F616-A633 HydrophobicContact CD1-CB 4.42Å; F616-A634 HydrophobicContact CB-CB 3.97Å; F616-A634 VanDerWaalsContact CD1-CA 3.49Å; F616-A634 HydrophobicContact CD1-CB 4Å; F616-A634 HydrophobicContact CD2-CB 3.59Å; F616-A634 HydrophobicContact CE1-CB 4.41Å; F616-A634 HydrophobicContact CE2-CB 4.06Å; F616-A634 HydrophobicContact CG-CB 3.56Å; F616-A634 HydrophobicContact CZ-CB 4.45Å; F616-K637 HydrophobicContact CE1-CB 3.6Å; F616-K637 HydrophobicContact CE1-CD 3.49Å; F616-K637 VanDerWaalsContact CE1-CD 3.49Å; F616-K637 HydrophobicContact CE1-CG 4.15Å; F616-K637 HydrophobicContact CZ-CB 4.13Å; F616-K637 HydrophobicContact CZ-CD 3.98Å; F616-L638 HydrophobicContact CE2-CD1 3.74Å; F616-L638 HydrophobicContact CE2-CG 4.13Å; F616-L638 HydrophobicContact CZ-CD1 3.9Å; F616-L638 HydrophobicContact CZ-CD2 4.12Å; F616-L638 HydrophobicContact CZ-CG 3.74Å
617R95.1Very high92.5Very high153 Ų15359.6 Ų59.658%0.57731%0.308SS*.EExtended strand (participates in β ladder)trans-110.8145.6-178.6-64.7-178.3-176.9-167.2-5.2111.4I594 V606 M607 E608I594-R617 VanDerWaalsContact CD1-CZ 3.45Å; I594-R617 VanDerWaalsContact CD1-NH2 3.34Å; V606-R617 HydrophobicContact CG1-CB 4.37Å; M607-R617 CarbonylContact O-C 3.53Å; M607-R617 VanDerWaalsContact O-CA 3.29Å; M607-R617 WeakPolarHBondContact O-CA 3.33Å; E608-R617 HydrophobicContact CB-CG 4.13Å; E608-R617 HydrophobicContact CG-CG 4.07Å; E608-R617 IonicContact OE2-CZ 3.55Å; E608-R617 VanDerWaalsContact OE2-CZ 3.22Å; E608-R617 IonicContact OE2-NE 2.73Å; E608-R617 PolarHBondContact OE2-NE 3.44Å; E608-R617 IonicContact OE2-NH2 3.54Å; E608-R617 PolarHBondContact OE2-NH2 3.22Å
618G95Very high92.4Very high4 Ų459.3 Ų59.34%0.04131%0.308CS..EExtended strand (participates in β ladder)trans-143.3140.5173.300000111.2V606 M607 A626 S629V606-G618 WeakPolarHBondContact CA-O 3.3Å; M607-G618 PolarHBondContact N-O 3.09Å; M607-G618 PolarHBondContact O-N 3.48Å; G618-A626 CarbonylContact C-O 3.59Å; G618-S629 VanDerWaalsContact CA-OG 3.27Å; G618-S629 WeakPolarHBondContact CA-OG 3.4Å
619A93Very high92.3Very high51 Ų5160.7 Ų60.742%0.42132%0.319SS..EExtended strand (participates in β ladder)trans-111.7154.4-177.700000111.2F605 V606F605-A619 CarbonylContact O-C 3.58Å; F605-A619 VanDerWaalsContact O-CA 3.24Å; F605-A619 WeakPolarHBondContact O-CA 3.32Å; V606-A619 HydrophobicContact CG2-CB 4.18Å
620G92.6Very high92.3Very high7 Ų760.7 Ų60.77%0.07232%0.319CS..EExtended strand (participates in β ladder)trans-178.4169.5172.700000114.2F605 N622F605-G620 PolarHBondContact N-O 3.19Å; F605-G620 PolarHBondContact O-N 2.73Å; G620-N622 PolarHBondContact O-N 3.06Å
621P88.5Confident92.4Very high72 Ų7255.9 Ų55.947%0.46830%0.297SS..SBendtrans-72-3.5-177.929.3-36.2000114.2K603 F605K603-P621 CarbonylContact O-C 3.14Å; K603-P621 VanDerWaalsContact O-C 3.31Å; K603-P621 VanDerWaalsContact O-CA 3.24Å; K603-P621 WeakPolarHBondContact O-CA 3.42Å; K603-P621 VanDerWaalsContact O-O 3.09Å; F605-P621 WeakPolarHBondContact CE2-O 3.46Å
622N91.6Very high92.4Very high89 Ų8957.7 Ų57.748%0.47631%0.306SS..SBendtrans-148.7149.5174.7-3491.5000109.2F605 G620 K624 V625 A626F605-N622 VanDerWaalsContact CD2-C 3.5Å; G620-N622 PolarHBondContact O-N 3.06Å; N622-K624 PolarHBondContact O-N 3.29Å; N622-V625 HydrophobicContact CB-CG2 4.38Å; N622-V625 PolarHBondContact O-N 2.87Å; N622-A626 PolarHBondContact O-N 3.04Å
623K92.4Very high92.8Very high94 Ų9455 Ų5541%0.40930%0.296SS..Hα-helixtrans-50.4-32.8175.5-59.9-173.7-174.4-172.90113L593 E596 F605 K627L593-K623 HydrophobicContact CD2-CD 4.2Å; E596-K623 WeakPolarHBondContact OE2-CE 3.49Å; E596-K623 IonicContact OE2-NZ 2.82Å; E596-K623 PolarHBondContact OE2-NZ 2.95Å; F605-K623 HydrophobicContact CB-CG 4.22Å; F605-K623 HydrophobicContact CD1-CD 3.99Å; F605-K623 HydrophobicContact CD1-CG 3.3Å; F605-K623 HydrophobicContact CD2-CG 4.47Å; F605-K623 HydrophobicContact CE1-CD 4.08Å; F605-K623 HydrophobicContact CE1-CG 3.63Å; F605-K623 HydrophobicContact CG-CG 3.74Å; F605-K623 HydrophobicContact CZ-CG 4.37Å; K623-K627 WeakPolarHBondContact O-CB 3.48Å; K623-K627 PolarHBondContact O-N 3.14Å
624K92.4Very high93.3Very high182 Ų18252 Ų5279%0.79127%0.265SS*.Hα-helixtrans-66.6-43.3175.2-67.8-179.6-179.1174.40113.5N622 A628N622-K624 PolarHBondContact O-N 3.29Å; K624-A628 PolarHBondContact O-N 3.49Å; K624-A628 VanDerWaalsContact O-N 3.09Å
625V92.4Very high93.3Very high46 Ų4648.9 Ų48.928%0.27925%0.251SS..Hα-helixtrans-72.3-45.4-179.2-178.10000110.1I570 N622 K627 A628 S629I570-V625 HydrophobicContact CD1-CG1 3.76Å; N622-V625 HydrophobicContact CB-CG2 4.38Å; N622-V625 PolarHBondContact O-N 2.87Å; V625-K627 VanDerWaalsContact C-N 3.28Å; V625-K627 PolarHBondContact O-N 3.39Å; V625-A628 PolarHBondContact O-N 3.09Å; V625-A628 VanDerWaalsContact O-N 3.13Å; V625-S629 WeakPolarHBondContact O-CB 3.44Å; V625-S629 PolarHBondContact O-N 3.28Å
626A94Very high93Very high0 Ų048.8 Ų48.80%025%0.252CS..Hα-helixtrans-56-42.8173.600000112F605 M607 G618 N622 S629 A630F605-A626 HydrophobicContact CB-CB 4.06Å; F605-A626 VanDerWaalsContact O-CB 3.24Å; F605-A626 WeakPolarHBondContact O-CB 3.5Å; M607-A626 HydrophobicContact CB-CB 4.17Å; M607-A626 HydrophobicContact CG-CB 3.58Å; G618-A626 CarbonylContact C-O 3.59Å; N622-A626 PolarHBondContact O-N 3.04Å; A626-S629 PolarHBondContact O-N 2.8Å; A626-A630 WeakPolarHBondContact O-CB 3.5Å; A626-A630 PolarHBondContact O-N 3.31Å
627K94.8Very high92.5Very high74 Ų7455.3 Ų55.332%0.32228%0.281SS..Hα-helixtrans-64.3-40.5175.9-170.1172.5-177.1160.60113.1V579 Y591 M607 K623 V625 A631V579-K627 HydrophobicContact CG2-CG 4.09Å; Y591-K627 HydrophobicContact CD1-CD 4.16Å; Y591-K627 HydrophobicContact CD1-CG 3.48Å; Y591-K627 VanDerWaalsContact CD1-CG 3.48Å; Y591-K627 HydrophobicContact CE1-CG 3.66Å; Y591-K627 HydrophobicContact CG-CD 4.18Å; Y591-K627 HydrophobicContact CG-CG 4Å; M607-K627 HydrophobicContact CG-CB 4.18Å; K623-K627 WeakPolarHBondContact O-CB 3.48Å; K623-K627 PolarHBondContact O-N 3.14Å; V625-K627 VanDerWaalsContact C-N 3.28Å; V625-K627 PolarHBondContact O-N 3.39Å; K627-A631 WeakPolarHBondContact O-CB 3.36Å; K627-A631 PolarHBondContact O-N 2.91Å
628A94.1Very high92Very high8 Ų850.4 Ų50.47%0.06627%0.266CS..Hα-helixtrans-68.3-40175.500000112.2I570 P578 V579 K624 V625 A631 L632I570-A628 HydrophobicContact CB-CB 4.46Å; P578-A628 WeakPolarHBondContact CB-O 3.32Å; V579-A628 HydrophobicContact CG2-CB 4.27Å; K624-A628 PolarHBondContact O-N 3.49Å; K624-A628 VanDerWaalsContact O-N 3.09Å; V625-A628 PolarHBondContact O-N 3.09Å; V625-A628 VanDerWaalsContact O-N 3.13Å; A628-A631 PolarHBondContact O-N 2.9Å; A628-L632 WeakPolarHBondContact O-CB 3.33Å; A628-L632 PolarHBondContact O-N 3.27Å
629S93.8Very high91.3Very high38 Ų3853.9 Ų53.927%0.26628%0.28SS..Hα-helixtrans-60.3-45.4172.9172.20000111.8G618 V625 A626 A631 L632 A633G618-S629 VanDerWaalsContact CA-OG 3.27Å; G618-S629 WeakPolarHBondContact CA-OG 3.4Å; V625-S629 WeakPolarHBondContact O-CB 3.44Å; V625-S629 PolarHBondContact O-N 3.28Å; A626-S629 PolarHBondContact O-N 2.8Å; S629-A631 PolarHBondContact O-N 3.45Å; S629-L632 PolarHBondContact O-N 3.23Å; S629-A633 PolarHBondContact O-N 3.06Å
630A95.9Very high90.1Very high0 Ų055.9 Ų55.90%029%0.291CS..Hα-helixtrans-63.8-41.2178.400000111.8M607 V609 A626 A634M607-A630 HydrophobicContact CB-CB 4.38Å; V609-A630 HydrophobicContact CG1-CB 4.23Å; A626-A630 WeakPolarHBondContact O-CB 3.5Å; A626-A630 PolarHBondContact O-N 3.31Å; A630-A634 PolarHBondContact O-N 3.01Å
631A94.6Very high88.3Confident0 Ų057.9 Ų57.90%031%0.311CS..Hα-helixtrans-67-37176.300000112.8P578 V579 L582 Y591 K627 A628 S629 A634 L635P578-A631 HydrophobicContact CB-CB 4Å; V579-A631 HydrophobicContact CB-CB 4.45Å; V579-A631 HydrophobicContact CG2-CB 3.98Å; L582-A631 HydrophobicContact CB-CB 4.41Å; L582-A631 HydrophobicContact CD2-CB 3.92Å; Y591-A631 HydrophobicContact CE1-CB 4.11Å; Y591-A631 WeakPolarHBondContact OH-CB 3.49Å; K627-A631 WeakPolarHBondContact O-CB 3.36Å; K627-A631 PolarHBondContact O-N 2.91Å; A628-A631 PolarHBondContact O-N 2.9Å; S629-A631 PolarHBondContact O-N 3.45Å; A631-A634 PolarHBondContact O-N 3.02Å; A631-L635 WeakPolarHBondContact O-CG 3.49Å; A631-L635 PolarHBondContact O-N 2.68Å
632L92.4Very high86.4Confident39 Ų3960.7 Ų60.720%0.20433%0.329CS..Hα-helixtrans-65.8-46.2176.6-170.6155.3000110.8I570 P578 A628 S629 A634 L635 E636I570-L632 HydrophobicContact CG2-CD1 3.59Å; P578-L632 HydrophobicContact CB-CB 3.9Å; P578-L632 HydrophobicContact CG-CB 4.01Å; P578-L632 HydrophobicContact CG-CD1 4.06Å; P578-L632 HydrophobicContact CG-CG 4.44Å; A628-L632 WeakPolarHBondContact O-CB 3.33Å; A628-L632 PolarHBondContact O-N 3.27Å; S629-L632 PolarHBondContact O-N 3.23Å; L632-A634 VanDerWaalsContact C-N 3.28Å; L632-A634 PolarHBondContact O-N 2.88Å; L632-L635 WeakPolarHBondContact O-CB 3.28Å; L632-L635 PolarHBondContact O-N 3.44Å; L632-L635 VanDerWaalsContact O-N 3.09Å; L632-E636 HydrophobicContact CD2-CG 3.99Å; L632-E636 WeakPolarHBondContact CD2-OE1 3.47Å; L632-E636 PolarHBondContact O-N 2.91Å
633A92.3Very high83.9Confident33 Ų3363.6 Ų63.627%0.27335%0.345SS..Hα-helixtrans-59.4-37.3176.100000112.9F616 S629 K637F616-A633 HydrophobicContact CD1-CB 4.42Å; S629-A633 PolarHBondContact O-N 3.06Å; A633-K637 WeakPolarHBondContact O-CB 3.46Å; A633-K637 PolarHBondContact O-N 3.48Å
634A93.2Very high81.6Confident0 Ų064.2 Ų64.20%037%0.368CS..Hα-helixtrans-68.4-41.9173.100000112.6L582 V609 V611 F616 A630 A631 L632 L638L582-A634 HydrophobicContact CD1-CB 4.11Å; L582-A634 HydrophobicContact CD2-CB 3.76Å; V609-A634 HydrophobicContact CG1-CB 4.27Å; V611-A634 HydrophobicContact CG2-CB 4.01Å; F616-A634 HydrophobicContact CB-CB 3.97Å; F616-A634 VanDerWaalsContact CD1-CA 3.49Å; F616-A634 HydrophobicContact CD1-CB 4Å; F616-A634 HydrophobicContact CD2-CB 3.59Å; F616-A634 HydrophobicContact CE1-CB 4.41Å; F616-A634 HydrophobicContact CE2-CB 4.06Å; F616-A634 HydrophobicContact CG-CB 3.56Å; F616-A634 HydrophobicContact CZ-CB 4.45Å; A630-A634 PolarHBondContact O-N 3.01Å; A631-A634 PolarHBondContact O-N 3.02Å; L632-A634 VanDerWaalsContact C-N 3.28Å; L632-A634 PolarHBondContact O-N 2.88Å; A634-L638 WeakPolarHBondContact O-CB 3.31Å; A634-L638 PolarHBondContact O-N 2.86Å; A634-L638 VanDerWaalsContact O-N 3.09Å
635L90.6Very high79.2Confident11 Ų1160.1 Ų60.16%0.05837%0.368CS..Hα-helixtrans-61.8-46.4176.1-79.8173.2000112.2T572 P578 E581 L582 K585 A631 L632 F639 S640T572-L635 HydrophobicContact CG2-CD1 3.74Å; P578-L635 HydrophobicContact CB-CD1 4.26Å; P578-L635 WeakPolarHBondContact O-CD1 3.31Å; E581-L635 HydrophobicContact CB-CD1 3.9Å; E581-L635 HydrophobicContact CG-CD1 4.01Å; E581-L635 HydrophobicContact CG-CD2 4.08Å; L582-L635 HydrophobicContact CB-CD1 4.2Å; L582-L635 HydrophobicContact CB-CD2 4.05Å; L582-L635 HydrophobicContact CB-CG 3.92Å; L582-L635 HydrophobicContact CD1-CD2 3.8Å; L582-L635 HydrophobicContact CD1-CG 3.96Å; L582-L635 HydrophobicContact CG-CG 4.46Å; K585-L635 HydrophobicContact CG-CD2 4.15Å; A631-L635 WeakPolarHBondContact O-CG 3.49Å; A631-L635 PolarHBondContact O-N 2.68Å; L632-L635 WeakPolarHBondContact O-CB 3.28Å; L632-L635 PolarHBondContact O-N 3.44Å; L632-L635 VanDerWaalsContact O-N 3.09Å; L635-F639 HydrophobicContact CD2-CD2 3.98Å; L635-F639 HydrophobicContact CD2-CG 4.49Å; L635-F639 CarbonylContact O-C 3.51Å; L635-F639 VanDerWaalsContact O-CA 3.3Å; L635-F639 WeakPolarHBondContact O-CA 3.45Å; L635-F639 VanDerWaalsContact O-CB 3.31Å; L635-F639 WeakPolarHBondContact O-CB 3.49Å; L635-F639 PolarHBondContact O-N 3.24Å; L635-S640 PolarHBondContact O-N 2.63Å
636E87.5Confident76.8Confident112 Ų11262 Ų6252%0.52339%0.387SS..Hα-helixtrans-63.9-48.9-180-71.5-177.215700111.7L632 L638 S640L632-E636 HydrophobicContact CD2-CG 3.99Å; L632-E636 WeakPolarHBondContact CD2-OE1 3.47Å; L632-E636 PolarHBondContact O-N 2.91Å; E636-L638 PolarHBondContact O-N 2.69Å; E636-S640 VanDerWaalsContact O-CB 3.28Å; E636-S640 WeakPolarHBondContact O-CB 3.3Å; E636-S640 PolarHBondContact O-N 3.17Å; E636-S640 VanDerWaalsContact O-N 3.17Å
637K86.9Confident74Confident149 Ų14969.2 Ų69.265%0.64843%0.426SS*.Hα-helixtrans-72-32.2-174.9-157.4-176.4-174-171.40113.9F616 A633F616-K637 HydrophobicContact CE1-CB 3.6Å; F616-K637 HydrophobicContact CE1-CD 3.49Å; F616-K637 VanDerWaalsContact CE1-CD 3.49Å; F616-K637 HydrophobicContact CE1-CG 4.15Å; F616-K637 HydrophobicContact CZ-CB 4.13Å; F616-K637 HydrophobicContact CZ-CD 3.98Å; A633-K637 WeakPolarHBondContact O-CB 3.46Å; A633-K637 PolarHBondContact O-N 3.48Å
638L83.9Confident71.2Confident50 Ų5075.8 Ų75.826%0.26246%0.455SS..Hα-helixtrans-100.9-22.6-175.6-61179.5000113.9V611 F616 A634 E636V611-L638 HydrophobicContact CB-CD1 3.65Å; V611-L638 HydrophobicContact CG1-CD1 3.48Å; V611-L638 VanDerWaalsContact CG1-CD1 3.48Å; F616-L638 HydrophobicContact CE2-CD1 3.74Å; F616-L638 HydrophobicContact CE2-CG 4.13Å; F616-L638 HydrophobicContact CZ-CD1 3.9Å; F616-L638 HydrophobicContact CZ-CD2 4.12Å; F616-L638 HydrophobicContact CZ-CG 3.74Å; A634-L638 WeakPolarHBondContact O-CB 3.31Å; A634-L638 PolarHBondContact O-N 2.86Å; A634-L638 VanDerWaalsContact O-N 3.09Å; E636-L638 PolarHBondContact O-N 2.69Å
639F81.3Confident68.7Low76 Ų7684.5 Ų84.533%0.33349%0.491SS..Hα-helixtrans-130.6-7.9-170.8-56-83.2000115.1L582 K585 R586 L635L582-F639 HydrophobicContact CD1-CD2 4.42Å; L582-F639 HydrophobicContact CD1-CE2 3.97Å; K585-F639 HydrophobicContact CB-CD1 4.41Å; K585-F639 HydrophobicContact CB-CE1 3.84Å; K585-F639 HydrophobicContact CB-CE2 4.08Å; K585-F639 HydrophobicContact CB-CZ 3.66Å; K585-F639 HydrophobicContact CD-CD1 4Å; K585-F639 HydrophobicContact CD-CE1 4.15Å; K585-F639 HydrophobicContact CD-CG 4.47Å; K585-F639 HydrophobicContact CG-CD1 4.03Å; K585-F639 HydrophobicContact CG-CD2 4.31Å; K585-F639 HydrophobicContact CG-CE1 3.98Å; K585-F639 HydrophobicContact CG-CE2 4.26Å; K585-F639 HydrophobicContact CG-CG 4.2Å; K585-F639 HydrophobicContact CG-CZ 4.1Å; R586-F639 HydrophobicContact CG-CZ 4.34Å; L635-F639 HydrophobicContact CD2-CD2 3.98Å; L635-F639 HydrophobicContact CD2-CG 4.49Å; L635-F639 CarbonylContact O-C 3.51Å; L635-F639 VanDerWaalsContact O-CA 3.3Å; L635-F639 WeakPolarHBondContact O-CA 3.45Å; L635-F639 VanDerWaalsContact O-CB 3.31Å; L635-F639 WeakPolarHBondContact O-CB 3.49Å; L635-F639 PolarHBondContact O-N 3.24Å
640S66.4Low65.9Low94 Ų9492.3 Ų92.366%0.65752%0.52SS*.SBendtrans-95.491.9171.6-64.30000111.9L635 E636L635-S640 PolarHBondContact O-N 2.63Å; E636-S640 VanDerWaalsContact O-CB 3.28Å; E636-S640 WeakPolarHBondContact O-CB 3.3Å; E636-S640 PolarHBondContact O-N 3.17Å; E636-S640 VanDerWaalsContact O-N 3.17Å
641G56.4Low62.8Low48 Ų48101.1 Ų101.150%0.49556%0.559SS.*SBendtrans176.3163.1175.600000112.5N643G641-N643 PolarHBondContact O-N 2.64Å
642P47.6Very low59.8Low131 Ų131108 Ų10885%0.85159%0.594SS**G310 helixtrans-70.112-161.727-35.8000117.3A644P642-A644 VanDerWaalsContact C-N 3.3Å; P642-A644 PolarHBondContact O-N 2.95Å
643N38.9Very low56.7Low151 Ų151113.8 Ų113.881%0.80762%0.624SS**G310 helixtrans-85.412.4-178.5-84.3-15.1000115.2G641 A645G641-N643 PolarHBondContact O-N 2.64Å; N643-A645 PolarHBondContact O-N 3.4Å
644A44.3Very low54.2Low107 Ų107117.1 Ų117.188%0.88464%0.643SS**G310 helixtrans-69.5-7173.500000114.4P642P642-A644 VanDerWaalsContact C-N 3.3Å; P642-A644 PolarHBondContact O-N 2.95Å
645A41.7Very low51.4Low96 Ų96123.2 Ų123.279%0.79368%0.683SS**G310 helixtrans-13046.9-167.900000114.8N643N643-A645 PolarHBondContact O-N 3.4Å
646A41.1Very low48.5Very low84 Ų84129.4 Ų129.469%0.69472%0.721SS**  trans-134.953.2-179.900000115.1
647N36.3Very low45.9Very low152 Ų152134.4 Ų134.481%0.81374%0.741SS**  trans-151.972160.8-143.5-16.2000115.1
648K36.8Very low43.1Very low213 Ų213131.1 Ų131.193%0.92675%0.75SS**  trans-136.5119.7159.9-73-171.2179.4175.80110.5
649K40.3Very low40.5Very low190 Ų190133.4 Ų133.483%0.82678%0.776SS**  trans-72.3137.7178-60176.1178.4178.30111.3
650K34.8Very low38Very low202 Ų202138.6 Ų138.688%0.87881%0.806SS**  167.9122.8124.1-91.8165.6-177.5-179.30115.6
651K31.3Very low36.3Very low185 Ų185138.9 Ų138.980%0.80481%0.814SS**  70.793.2124.7-151.8177-173.7-170.40123
652I32.1Very low35.1Very low145 Ų145141 Ų14174%0.74483%0.828SS**  62.8119.8120.8-64.1169.4000122.9
653L27.6Very low34.3Very low160 Ų160139.6 Ų139.684%0.83883%0.826SS**  trans66.7160.6151.3-111.271.2000122
654P39Very low34Very low104 Ų104136.9 Ų136.968%0.67583%0.825SS**  cis-122.1174.5-39.2175.1000113.2
655P34Very low33.5Very low128 Ų128136.8 Ų136.883%0.83183%0.825SS**  trans-105.4140.1154.735.2-27000112.8
656T31Very low33.1Very low141 Ų141137 Ų13787%0.86583%0.826SS**  trans-93.3160.2173.143.20000112.3
657K32.8Very low32.7Very low216 Ų216138.7 Ų138.794%0.93983%0.833SS**  trans-76.8147.6-176-66176.2176.2177.80113
658G27.5Very low32.6Very low81 Ų81135.3 Ų135.384%0.83583%0.826SS**  trans-145.4128.1154.500000108.4
659A30Very low32.4Very low98 Ų98132 Ų13281%0.8182%0.824SS**  trans-112.9161.2-170.900000112.1
660L28.5Very low32.1Very low185 Ų185127 Ų12797%0.96982%0.817SS**  trans-160166.6137.3-100.9173.4000109.4
661A31.2Very low32Very low99 Ų99121.7 Ų121.782%0.81881%0.811SS**  trans-128.6158.2-146.600000116.7
662A29.7Very low32Very low94 Ų94121.4 Ų121.478%0.77781%0.813SS**  trans167.2116.114700000107.8
663A32.3Very low32.1Very low100 Ų100120.1 Ų120.183%0.82681%0.811SS**  67.1129.77500000113.6
664A32.6Very low32.2Very low95 Ų95117.4 Ų117.479%0.78581%0.811SS**  cis-165.7172.9-5.600000111.7
665A33.6Very low31.9Very low105 Ų105123.7 Ų123.787%0.86882%0.822SS**  trans71.2146.1165.300000117.8
666A32.8Very low31.7Very low99 Ų99121.4 Ų121.482%0.81882%0.821SS**  cis-144.9163.46.100000114.5
667S32.5Very low31.7Very low120 Ų120127.1 Ų127.184%0.83983%0.827SS**  trans-40.6166.4167.1-65.40000118.5
668A34.1Very low31.6Very low81 Ų81120.2 Ų120.267%0.66982%0.818SS**  cis179.8178.4-19.400000110.4
669V31.9Very low31.9Very low145 Ų145128.5 Ų128.588%0.87982%0.824SS**  trans74.1143.8159.1-172.30000117
670A34.2Very low31.9Very low83 Ų83127.8 Ų127.869%0.68682%0.818SS**  cis-174177.4-33.400000109.1
671A33.1Very low32.1Very low91 Ų91123.6 Ų123.675%0.75281%0.81SS**  trans66.3119.9159.900000117.6
672Q31.5Very low32.4Very low180 Ų180125.9 Ų125.984%0.84181%0.807SS**  96.6112.650.6-85.5-157.7-75.700114.8
673V33.8Very low32.5Very low118 Ų118125.6 Ų125.672%0.71581%0.805SS**  44.4115.9128.1-173.60000119.4
674A30.1Very low32.6Very low102 Ų102132.2 Ų132.284%0.84381%0.809SS**  trans-161.2149.4132.400000114.3
675R32.5Very low32.5Very low236 Ų236131.5 Ų131.589%0.89181%0.811SS**  trans-66.2157.9-172.8-65.7167163.294.1-0.5115.2
676G30.4Very low32.6Very low80 Ų80131.4 Ų131.483%0.82581%0.81SS**  trans-91.3-175.4-178.700000117.2
677R31.7Very low32.4Very low261 Ų261135.8 Ų135.899%0.98581%0.811SS**  trans-154.2152.6166.1-116.1176.3174.8171.3-2.4107.7
678G29Very low32.4Very low72 Ų72135.1 Ų135.174%0.74280%0.801SS**  trans-132.1-166.1-168.500000116
679R34.4Very low32.3Very low255 Ų255136.5 Ų136.596%0.96281%0.806SS**  trans70147.9-175-77.3-171166.2-173.6-4115.1
680A30.7Very low32.3Very low82 Ų82134.1 Ų134.168%0.67880%0.801SS**  cis-168.2170.2-11.800000111.5
681A33Very low32.1Very low97 Ų97135.4 Ų135.480%0.80281%0.812SS**  trans71.9165.5146.200000120.6
682L36.7Very low32.4Very low147 Ų147135.5 Ų135.577%0.7781%0.813SS**  cis177130-35.3-166.6150.5000108.8R684L682-R684 HydrophobicContact CD2-CG 4.33Å
683A31.9Very low32.9Very low88 Ų88133.2 Ų133.273%0.72781%0.814SS**  trans-179.3133.1156.800000108.6
684R34.7Very low32.6Very low239 Ų239131 Ų13190%0.90281%0.814SS**  65.9131.252.4-64.9-173.2174.1-169.3-1.4112.6L682L682-R684 HydrophobicContact CD2-CG 4.33Å
685G30.5Very low32.6Very low81 Ų81137.4 Ų137.484%0.83582%0.818SS**  cis-167-169.33.300000112.4
686A34.4Very low32.6Very low102 Ų102131.5 Ų131.584%0.84381%0.809SS**  trans-88.3164.6-168.300000116
687F29.8Very low32.7Very low192 Ų192133.9 Ų133.984%0.84281%0.807SS**  -177.9122.7117.9-145.9-115.3000115.6
688V32.9Very low33.6Very low105 Ų105127.6 Ų127.664%0.63680%0.8SS**  trans41133.9137-1740000125.6
689S30.5Very low33.8Very low110 Ų110127.3 Ų127.377%0.76980%0.797SS**  trans89.5117.7145.3-84.10000126.7
690A32.7Very low33.6Very low95 Ų95126 Ų12679%0.78580%0.799SS**  85142.6121.100000124.9
691A30.9Very low33.5Very low110 Ų110125.6 Ų125.691%0.90980%0.802SS**  trans80.1145.9160.700000121.4
692A37.6Very low33.6Very low93 Ų93127.4 Ų127.477%0.76980%0.804SS**  trans-103.1167.9-174.800000113
693P42.3Very low34.3Very low133 Ų133125.8 Ų125.886%0.86480%0.802SS**  -138.8-170.275.827.8-5000113.2
694G27.6Very low34.2Very low70 Ų70132.6 Ų132.672%0.72281%0.81SS**  cis129.4122.8-4.500000114
695Y29.9Very low33.9Very low237 Ų237124.1 Ų124.193%0.92980%0.797SS**  trans-159.4163.2175.1-130.2-90.1000113.4
696V33.2Very low33.7Very low113 Ų113131.5 Ų131.569%0.68580%0.802SS**  trans-142.2146.7-156-88.70000118.2
697T32.2Very low33.7Very low129 Ų129131.3 Ų131.379%0.79179%0.794SS**  trans63.2169.8143.855.20000121.6
698P50.7Low34.7Very low130 Ų130128 Ų12884%0.84479%0.792SS**  cis-125.1-167.25.944.7-28.8000114.6
699G33.2Very low34.6Very low66 Ų66127.6 Ų127.668%0.6880%0.8SS**  cis170.8-172.7-300000113.9
700F30.4Very low34.4Very low228 Ų228127 Ų127100%180%0.802SS**  trans68136-179.5-79.4-92.4000118.2
701G29.2Very low34.2Very low72 Ų72127.5 Ų127.574%0.74281%0.806SS**  cis-177.4158.8-6.200000112.6
702T34.6Very low34.1Very low136 Ų136127.2 Ų127.283%0.83480%0.803SS**  trans-118.2174.7-174.3560000113.8
703P50.3Low33.6Very low112 Ų112127.3 Ų127.373%0.72780%0.804SS**  -149.9152.2116.336.3-18.8000118.6
704Y29.9Very low33.4Very low232 Ų232127 Ų12791%0.9180%0.802SS**  trans14.5150.3147.4-67.2-97.3000122.8
705G28.6Very low33.3Very low61 Ų61127.9 Ų127.963%0.62980%0.803SS**  cis122.1121.2-5.500000116
706Y27.3Very low33.2Very low236 Ų236128.4 Ų128.493%0.92581%0.805SS**  trans-170163.2158.6-126.3-94.3000114.2
707S33.7Very low32.9Very low98 Ų98126.6 Ų126.669%0.68581%0.809SS**  trans-149.9164178.2-81.20000108.5
708P51.5Low32.7Very low122 Ų122124.2 Ų124.279%0.79281%0.81SS**  cis-159.1178.148.644.5-21.7000120.5
709A29.6Very low31.6Very low97 Ų97126 Ų12680%0.80281%0.812SS**  trans58.3135.1141.500000126
710A27.8Very low31.3Very low98 Ų98133 Ų13381%0.8182%0.824SS**  trans108.8114.4133.500000122.4
711A27.7Very low31.1Very low105 Ų105129.7 Ų129.787%0.86882%0.815SS**  trans79.4149.3136.500000123.6
712A28.1Very low31Very low104 Ų104133.8 Ų133.886%0.8682%0.82SS**  trans88.3112.8166.200000119.8
713A27.4Very low30.5Very low95 Ų95134.1 Ų134.179%0.78582%0.817SS**  trans-93.8175.7153.300000108.4
714P38.8Very low29.8Very low125 Ų125134 Ų13481%0.81282%0.816SS**  cis-140-161.41643.9-24000115.6
715A25.9Very low29.6Very low90 Ų90131.6 Ų131.674%0.74481%0.81SS**  trans103.6115.2159.700000118.8
716Y27.9Very low29.5Very low247 Ų247139.9 Ų139.997%0.96982%0.824SS**  trans29.2129.7143.1-93.8-104.5000121.5
717G26.2Very low29.6Very low76 Ų76136.3 Ų136.378%0.78482%0.816SS**  trans164.890.6166.100000111.2
718G27.1Very low29.3Very low79 Ų79137.5 Ų137.581%0.81482%0.822SS**  trans-74139.6176.700000111.9
719L27.9Very low28.2Very low168 Ų168143 Ų14388%0.8883%0.827SS**  trans-145.7133.4162.6-91.4178.6000110.5
720F26.7Very low28.1Very low212 Ų212145.2 Ų145.293%0.9383%0.83SS**  trans-56.7140.7169.2-90.8-117.1000111.2
721I27.9Very low28.1Very low158 Ų158148 Ų14881%0.8183%0.83SS**  trans-128.5108.9163-64.4-179.3000108.5
722D25.7Very low28Very low159 Ų159146.4 Ų146.485%0.8582%0.817SS**  trans-56.6133.7160.1-91.9-60000110.7
723N25.4Very low28Very low143 Ų143146.9 Ų146.977%0.76581%0.811SS**  trans-149.5121.7151.4-148.72.8000111.9F725N723-F725 PolarHBondContact O-N 3.29Å
724P33.7Very low27.9Very low110 Ų110151.9 Ų151.971%0.71482%0.816SS**  trans-95.497.5-167.234.9-33.3000112.8
725F27.5Very low27.4Very low180 Ų180152.5 Ų152.579%0.78981%0.81SS**  trans-150.982.3166.7-96.5-74.6000113.3N723N723-F725 PolarHBondContact O-N 3.29Å
726Y26.1Very low27.4Very low235 Ų235155.4 Ų155.492%0.92281%0.812SS**  trans-138119.9149.5-116.4-91.2000111.2
727Q27.9Very low27.3Very low161 Ų161151.9 Ų151.975%0.75280%0.804SS**  trans-79.8136.6-179.5-66.3178.5-22.500110.1R729Q727-R729 PolarHBondContact O-N 2.89Å; Q727-R729 VanDerWaalsContact O-N 3.14Å
728P28.7Very low27.5Very low124 Ų124156 Ų15681%0.80581%0.807SS**  trans-67.1115.3170.727.5-32.5000109.3T730P728-T730 PolarHBondContact O-N 2.87Å
729R27.4Very low27.5Very low238 Ų238155.1 Ų155.190%0.89880%0.798SS**  trans-63.5122.6171.6-83-171.3167.6-152.3-0.2109.4Q727 I731Q727-R729 PolarHBondContact O-N 2.89Å; Q727-R729 VanDerWaalsContact O-N 3.14Å; R729-I731 PolarHBondContact O-N 3.04Å; R729-I731 VanDerWaalsContact O-N 3.09Å
730T28.1Very low27.6Very low142 Ų142153.4 Ų153.487%0.87180%0.797SS**  trans-67.2103.2175.58.10000110.4P728 A732P728-T730 PolarHBondContact O-N 2.87Å; T730-A732 PolarHBondContact O-N 2.68Å
731I28.1Very low27.9Very low156 Ų156151.9 Ų151.980%0.879%0.793SS**PPolyproline II helixtrans-72.5120.1165.4-62.5178000107.7R729R729-I731 PolarHBondContact O-N 3.04Å; R729-I731 VanDerWaalsContact O-N 3.09Å
732A26.1Very low27.9Very low73 Ų73151.4 Ų151.460%0.60379%0.792SS**PPolyproline II helixtrans-71148.9-178.900000111.4T730 F734T730-A732 PolarHBondContact O-N 2.68Å; A732-F734 PolarHBondContact O-N 3.37Å
733P27.3Very low28.1Very low114 Ų114151.2 Ų151.274%0.7479%0.79SS**PPolyproline II helixtrans-69.4117.6175.828.5-33.6000110.5I735P733-I735 PolarHBondContact O-N 2.71Å; P733-I735 VanDerWaalsContact O-N 3.1Å
734F26.5Very low28.5Very low200 Ų200153.6 Ų153.688%0.87779%0.794SS**  trans-66.5108.2168.9-83.4-86.4000110.1A732 I736A732-F734 PolarHBondContact O-N 3.37Å; F734-I736 PolarHBondContact O-N 3.31Å
735I26.6Very low28.2Very low137 Ų137153.9 Ų153.970%0.70380%0.799SS**  trans-85.6104.5171.4-63.1172.7000107.4P733 H737P733-I735 PolarHBondContact O-N 2.71Å; P733-I735 VanDerWaalsContact O-N 3.1Å; I735-H737 PolarHBondContact O-N 3.21Å
736I27.6Very low28.5Very low151 Ų151152.9 Ų152.977%0.77480%0.802SS**  trans-72.3101.5168.7-58.4178.1000107.9F734 L738F734-I736 PolarHBondContact O-N 3.31Å; I736-L738 PolarHBondContact O-N 3.25Å
737H25.6Very low29Very low174 Ų174155.4 Ų155.481%0.80682%0.818SS**  trans-73.5103.8171.5-119.1-63.2000109I735 G739I735-H737 PolarHBondContact O-N 3.21Å; H737-G739 PolarHBondContact O-N 3.35Å; H737-G739 VanDerWaalsContact O-N 3.08Å
738L29.5Very low29Very low161 Ų161155.1 Ų155.184%0.84382%0.821SS**  trans-67105.6167.5-73.5167.9000109.1I736I736-L738 PolarHBondContact O-N 3.25Å
739G26.9Very low29Very low61 Ų61156.7 Ų156.763%0.62982%0.822SS**PPolyproline II helixtrans-73.3156.9166.600000111.7H737H737-G739 PolarHBondContact O-N 3.35Å; H737-G739 VanDerWaalsContact O-N 3.08Å
740P31Very low29.1Very low132 Ų132152.2 Ų152.286%0.85782%0.818SS**PPolyproline II helixtrans-75.7157.6-174.432-35.5000113.2
741Q31.9Very low29.2Very low181 Ų181152.8 Ų152.885%0.84682%0.815SS**PPolyproline II helixtrans-68.5142.4172.2-63.3173.9-24.600111.8
742D29.4Very low29.2Very low148 Ų148152.6 Ų152.679%0.79182%0.816SS**  trans154.8139.7153.5-83.5-18.4000106.6
743L29.4Very low29.4Very low155 Ų155157.9 Ų157.981%0.81283%0.83SS**  cis-160160.14.3-113.7159.3000108.5
744F33.1Very low29.6Very low192 Ų192161.1 Ų161.184%0.84284%0.836SS**  trans-68.4139.1166.3-91.6-98.7000111.4
745S28.2Very low29.8Very low117 Ų117158.1 Ų158.182%0.81883%0.833SS**  trans171.3133.5132.4-73.50000110F747S745-F747 PolarHBondContact O-N 2.83Å
746D32.7Very low30.1Very low159 Ų159159.8 Ų159.885%0.8584%0.844SS**  trans-67.8125-165.6-50.8-65.6000115.2
747F36.2Very low30.3Very low287 Ų287160.6 Ų160.6100%1.25985%0.85SS**  trans-169.40138.1-114.2-70.1000111.4S745S745-F747 PolarHBondContact O-N 2.83Å

Retrieved 747 of 747 residues in 122 ms (Link to these results)

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