A0A096N5E4_PAPAN Loading...

Cyclin-dependent kinase 4

AlphaFold DB (A0A2K6P415), UniProt , Accession A0A096N5E4, Species PAPAN (Papio anubis, Olive baboon), Gene CDK4, Length 303 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
1M26.1Very low72.5Confident238 Ų238105.1 Ų105.1100%1.17259%0.594SS**  0111.80-65.4-179.1-167.500106.3T3M1-T3 PolarHBondContact O-N 3.34Å; M1-T3 VanDerWaalsContact O-N 3.09Å
2A33.2Very low73.6Confident109 Ų109103.1 Ų103.190%0.90158%0.579SS**  trans-69.1108.9-179.800000108.1S4A2-S4 PolarHBondContact O-N 2.72Å; A2-S4 VanDerWaalsContact O-N 3.15Å
3T44.7Very low73.7Confident138 Ų13897.4 Ų97.485%0.84756%0.557SS**  trans-61.1112.1168.934.20000107.2M1 R5M1-T3 PolarHBondContact O-N 3.34Å; M1-T3 VanDerWaalsContact O-N 3.09Å; T3-R5 PolarHBondContact O-N 2.82Å
4S63Low73.5Confident81 Ų8198.1 Ų98.157%0.56656%0.564SS**  trans-62.4128.4174.452.50000108.2A2 Y6A2-S4 PolarHBondContact O-N 2.72Å; A2-S4 VanDerWaalsContact O-N 3.15Å; S4-Y6 WeakPolarHBondContact CB-O 3.3Å; S4-Y6 PolarHBondContact O-N 2.83Å; S4-Y6 PolarHBondContact OG-O 3.01Å
5R82.5Confident72.8Confident150 Ų15094 Ų9457%0.56655%0.551SS**SBendtrans-48.9-24.8177.5177179.5176.9175.44.8113.6T3 P26 D76T3-R5 PolarHBondContact O-N 2.82Å; R5-P26 WeakPolarHBondContact O-CD 3.29Å; R5-D76 IonicContact CZ-OD2 3.92Å; R5-D76 IonicContact NH1-OD2 3.99Å; R5-D76 PolarHBondContact NH1-OD2 2.86Å
6Y89.8Confident71.6Confident11 Ų1190.8 Ų90.84%0.04354%0.539CS..SBendtrans-119.3142.9179.2-56.7-78.8000110.2S4 P8 R24 D25 V32 L34 V92S4-Y6 WeakPolarHBondContact CB-O 3.3Å; S4-Y6 PolarHBondContact O-N 2.83Å; S4-Y6 PolarHBondContact OG-O 3.01Å; Y6-P8 WeakPolarHBondContact O-CD 3.45Å; Y6-R24 WeakPolarHBondContact CA-O 3.2Å; Y6-D25 HydrophobicContact CD1-CB 3.91Å; Y6-D25 HydrophobicContact CE1-CB 3.87Å; Y6-V32 HydrophobicContact CD1-CG1 4.44Å; Y6-V32 HydrophobicContact CD1-CG2 3.53Å; Y6-V32 HydrophobicContact CE1-CG1 4.18Å; Y6-V32 HydrophobicContact CE1-CG2 4Å; Y6-V32 HydrophobicContact CG-CG2 4.07Å; Y6-L34 HydrophobicContact CD2-CD2 3.97Å; Y6-L34 HydrophobicContact CG-CD2 3.98Å; Y6-V92 HydrophobicContact CD2-CG1 4.45Å; Y6-V92 HydrophobicContact CD2-CG2 4.04Å; Y6-V92 HydrophobicContact CE1-CG1 4.01Å; Y6-V92 HydrophobicContact CE2-CB 4.32Å; Y6-V92 HydrophobicContact CE2-CG1 3.95Å; Y6-V92 HydrophobicContact CE2-CG2 3.59Å
7E91.1Very high70.8Confident105 Ų10588.2 Ų88.249%0.49152%0.518SS..EExtended strand (participates in β ladder)trans-101106.1-178.8-69.1176.5178.600110.2V9 A23 R24 P26E7-V9 PolarHBondContact O-N 2.81Å; E7-A23 CarbonylContact O-C 3.52Å; E7-A23 WeakPolarHBondContact O-CA 3.46Å; E7-A23 WeakPolarHBondContact O-CB 3.45Å; E7-R24 PolarHBondContact N-O 3.21Å; E7-R24 PolarHBondContact O-N 2.8Å; E7-P26 HydrophobicContact CG-CG 3.92Å
8P91.3Very high70.7Confident83 Ų8385 Ų8554%0.53951%0.507SS..EExtended strand (participates in β ladder)trans-61.2137.3178.9-21.133.6000111.8Y6Y6-P8 WeakPolarHBondContact O-CD 3.45Å
9V93Very high71.1Confident91 Ų9182.5 Ų82.555%0.55249%0.492SS*.EExtended strand (participates in β ladder)trans-114.8-46.4-177.9178.80000111.1E7 K22 R24 F31E7-V9 PolarHBondContact O-N 2.81Å; V9-K22 PolarHBondContact N-O 3.38Å; V9-R24 HydrophobicContact CG2-CB 4.38Å; V9-F31 HydrophobicContact CG2-CE1 4.15Å
10A92.3Very high72Confident43 Ų4379.7 Ų79.736%0.35548%0.476SS..EExtended strand (participates in β ladder)trans-153.2150.5-177.600000111Y21 K22A10-Y21 CarbonylContact O-C 3.46Å; A10-Y21 WeakPolarHBondContact O-CA 3.41Å; A10-K22 PolarHBondContact N-O 3.07Å; A10-K22 PolarHBondContact O-N 3.2Å
11E90.4Very high72.9Confident107 Ų10780 Ų8050%0.547%0.469SS..EExtended strand (participates in β ladder)trans-75.5125.6162.8-177.5163.514800108.8V14 T19 Y21E11-V14 WeakPolarHBondContact OE1-CG2 3.49Å; E11-T19 HydrophobicContact CB-CG2 4.41Å; E11-T19 HydrophobicContact CG-CG2 3.37Å; E11-T19 WeakPolarHBondContact OE2-CG2 3.46Å; E11-Y21 HydrophobicContact CB-CD1 4.07Å; E11-Y21 HydrophobicContact CB-CE1 3.88Å; E11-Y21 HydrophobicContact CG-CE1 4.28Å
12I85.8Confident76.1Confident81 Ų8170.7 Ų70.742%0.41542%0.422SS..EExtended strand (participates in β ladder)trans-117.2-4.2-175.659.6170.1000113.4V20 K22 A33I12-V20 HydrophobicContact CD1-CG1 3.93Å; I12-V20 HydrophobicContact CG1-CB 4.19Å; I12-V20 HydrophobicContact CG1-CG1 3.83Å; I12-V20 WeakPolarHBondContact CG1-O 3.32Å; I12-V20 PolarHBondContact N-O 3.47Å; I12-K22 HydrophobicContact CD1-CB 4.19Å; I12-K22 HydrophobicContact CG1-CB 4.5Å; I12-K22 HydrophobicContact CG2-CB 3.6Å; I12-A33 HydrophobicContact CD1-CB 4.4Å
13G75.2Confident79Confident29 Ų2965.5 Ų65.530%0.29938%0.379SS..EExtended strand (participates in β ladder)trans-176.5144.9174.900000112.5T19 V20G13-T19 WeakPolarHBondContact O-CA 3.45Å; G13-V20 PolarHBondContact N-O 2.94Å; G13-V20 PolarHBondContact O-N 2.88Å
14V71Confident81.4Confident108 Ų10864.9 Ų64.966%0.65536%0.361SS*.EExtended strand (participates in β ladder)trans-116102.2167.7-176.90000106.8E11E11-V14 WeakPolarHBondContact OE1-CG2 3.49Å
15G62.8Low82.8Confident36 Ų3661.7 Ų61.737%0.37134%0.338SS..EExtended strand (participates in β ladder)trans-88.5174.8173.400000111.2Y17 G18G15-Y17 PolarHBondContact O-N 3.38Å; G15-G18 PolarHBondContact N-O 3.39Å; G15-G18 PolarHBondContact O-N 2.95Å
16A53.3Low83.2Confident43 Ų4358 Ų5836%0.35533%0.334SS..THydrogen-bonded Turntrans-55.7-14.2166.400000113.2V174A16-V174 HydrophobicContact CB-CG1 3.95Å
17Y58.9Low83.1Confident47 Ų4766.1 Ų66.118%0.18437%0.371CS..THydrogen-bonded Turntrans-112.41.5-165.5-42.6-62.4000113.9G15 D140 Y165 M169G15-Y17 PolarHBondContact O-N 3.38Å; Y17-D140 PolarHBondContact OH-OD2 3.31Å; Y17-Y165 HydrophobicContact CD1-CD1 4.2Å; Y17-Y165 AromaticContact CD1-CD2 3.37Å; Y17-Y165 HydrophobicContact CD1-CD2 3.37Å; Y17-Y165 HydrophobicContact CD1-CE1 4.42Å; Y17-Y165 AromaticContact CD1-CE2 3.59Å; Y17-Y165 HydrophobicContact CD1-CE2 3.59Å; Y17-Y165 AromaticContact CD1-CG 3.73Å; Y17-Y165 HydrophobicContact CD1-CG 3.73Å; Y17-Y165 HydrophobicContact CD2-CE2 4.45Å; Y17-Y165 AromaticContact CE1-CD2 3.82Å; Y17-Y165 HydrophobicContact CE1-CD2 3.82Å; Y17-Y165 HydrophobicContact CE1-CE2 4.3Å; Y17-Y165 HydrophobicContact CE1-CG 4.34Å; Y17-Y165 AromaticContact CG-CD2 3.98Å; Y17-Y165 HydrophobicContact CG-CD2 3.98Å; Y17-Y165 AromaticContact CG-CE2 3.68Å; Y17-Y165 HydrophobicContact CG-CE2 3.68Å; Y17-M169 HydrophobicContact CE1-SD 4.27Å
18G68.3Low83Confident30 Ų3063.6 Ų63.631%0.30937%0.365SS..EExtended strand (participates in β ladder)trans119.6178.3-177.100000113.4G15G15-G18 PolarHBondContact N-O 3.39Å; G15-G18 PolarHBondContact O-N 2.95Å
19T79.1Confident82.9Confident37 Ų3761 Ų6123%0.22735%0.354CS..EExtended strand (participates in β ladder)trans-82.1134.3-177.5-490000111.4E11 G13 Y21E11-T19 HydrophobicContact CB-CG2 4.41Å; E11-T19 HydrophobicContact CG-CG2 3.37Å; E11-T19 WeakPolarHBondContact OE2-CG2 3.46Å; G13-T19 WeakPolarHBondContact O-CA 3.45Å; T19-Y21 HydrophobicContact CG2-CD1 4.47Å; T19-Y21 HydrophobicContact CG2-CD2 4.06Å; T19-Y21 HydrophobicContact CG2-CE1 3.91Å; T19-Y21 HydrophobicContact CG2-CE2 3.46Å; T19-Y21 VanDerWaalsContact CG2-CE2 3.46Å; T19-Y21 WeakPolarHBondContact CG2-OH 3.36Å
20V87.4Confident82.8Confident27 Ų2763 Ų6316%0.16436%0.357CS..EExtended strand (participates in β ladder)trans-101.1125.9171.6-173.30000108.4I12 G13 A33 L34 K35I12-V20 HydrophobicContact CD1-CG1 3.93Å; I12-V20 HydrophobicContact CG1-CB 4.19Å; I12-V20 HydrophobicContact CG1-CG1 3.83Å; I12-V20 WeakPolarHBondContact CG1-O 3.32Å; I12-V20 PolarHBondContact N-O 3.47Å; G13-V20 PolarHBondContact N-O 2.94Å; G13-V20 PolarHBondContact O-N 2.88Å; V20-A33 HydrophobicContact CG1-CB 4.24Å; V20-L34 WeakPolarHBondContact CA-O 3.48Å; V20-K35 HydrophobicContact CG2-CG 4.3Å
21Y91.2Very high82.9Confident85 Ų8565.4 Ų65.433%0.33336%0.36SS..EExtended strand (participates in β ladder)trans-110.6134.8177.6-65.8-84.4000110.8A10 E11 T19 A33 L34A10-Y21 CarbonylContact O-C 3.46Å; A10-Y21 WeakPolarHBondContact O-CA 3.41Å; E11-Y21 HydrophobicContact CB-CD1 4.07Å; E11-Y21 HydrophobicContact CB-CE1 3.88Å; E11-Y21 HydrophobicContact CG-CE1 4.28Å; T19-Y21 HydrophobicContact CG2-CD1 4.47Å; T19-Y21 HydrophobicContact CG2-CD2 4.06Å; T19-Y21 HydrophobicContact CG2-CE1 3.91Å; T19-Y21 HydrophobicContact CG2-CE2 3.46Å; T19-Y21 VanDerWaalsContact CG2-CE2 3.46Å; T19-Y21 WeakPolarHBondContact CG2-OH 3.36Å; Y21-A33 CarbonylContact O-C 3.51Å; Y21-A33 WeakPolarHBondContact O-CA 3.23Å; Y21-L34 PolarHBondContact N-O 3.5Å; Y21-L34 PolarHBondContact O-N 3.43Å
22K93.6Very high83.1Confident44 Ų4460.4 Ų60.419%0.19134%0.336CS..EExtended strand (participates in β ladder)trans-72.2130.3159.3179.9172.8-175.7153.90108.1V9 A10 I12 F31 H95V9-K22 PolarHBondContact N-O 3.38Å; A10-K22 PolarHBondContact N-O 3.07Å; A10-K22 PolarHBondContact O-N 3.2Å; I12-K22 HydrophobicContact CD1-CB 4.19Å; I12-K22 HydrophobicContact CG1-CB 4.5Å; I12-K22 HydrophobicContact CG2-CB 3.6Å; K22-F31 HydrophobicContact CD-CD1 4.21Å; K22-F31 HydrophobicContact CD-CG 4.47Å; K22-F31 HydrophobicContact CG-CB 4.49Å; K22-F31 HydrophobicContact CG-CD1 3.94Å; K22-F31 HydrophobicContact CG-CG 4.4Å; K22-H95 WeakPolarHBondContact CE-NE2 3.4Å; K22-H95 PolarHBondContact NZ-NE2 3.47Å
23A94.6Very high83.5Confident0 Ų057.1 Ų57.10%032%0.321CS..EExtended strand (participates in β ladder)trans-134.1156.517600000110.9E7 F31 V32 L34E7-A23 CarbonylContact O-C 3.52Å; E7-A23 WeakPolarHBondContact O-CA 3.46Å; E7-A23 WeakPolarHBondContact O-CB 3.45Å; A23-F31 CarbonylContact O-C 3.44Å; A23-F31 WeakPolarHBondContact O-CA 3.07Å; A23-V32 HydrophobicContact CB-CG2 3.99Å; A23-V32 PolarHBondContact N-O 3.22Å; A23-V32 PolarHBondContact O-N 3.36Å; A23-L34 HydrophobicContact CB-CD1 3.42Å; A23-L34 VanDerWaalsContact CB-CD1 3.42Å; A23-L34 HydrophobicContact CB-CD2 4.35Å; A23-L34 HydrophobicContact CB-CG 3.64Å
24R94.6Very high84.3Confident125 Ų12556.5 Ų56.547%0.47231%0.311SS..EExtended strand (participates in β ladder)trans-95.1134.9171.9-166.2176.8-171.3-174.9-1.5109.3Y6 E7 V9 P26 F31Y6-R24 WeakPolarHBondContact CA-O 3.2Å; E7-R24 PolarHBondContact N-O 3.21Å; E7-R24 PolarHBondContact O-N 2.8Å; V9-R24 HydrophobicContact CG2-CB 4.38Å; R24-P26 WeakPolarHBondContact O-CD 3.37Å; R24-F31 HydrophobicContact CB-CD1 4.4Å; R24-F31 HydrophobicContact CB-CE1 4.34Å
25D93.2Very high85.1Confident14 Ų1451.6 Ų51.68%0.07528%0.281CS..  trans-82.7112.5164.1175.75.1000108.5Y6 H27 S28 G29 H30Y6-D25 HydrophobicContact CD1-CB 3.91Å; Y6-D25 HydrophobicContact CE1-CB 3.87Å; D25-H27 PolarHBondContact O-N 2.88Å; D25-H27 WeakPolarHBondContact OD1-CB 3.31Å; D25-H27 PolarHBondContact OD1-N 3.29Å; D25-S28 WeakPolarHBondContact CB-OG 3.35Å; D25-S28 VanDerWaalsContact CG-OG 3.23Å; D25-S28 WeakPolarHBondContact OD2-CB 3.39Å; D25-S28 PolarHBondContact OD2-OG 2.76Å; D25-G29 WeakPolarHBondContact O-CA 3.39Å; D25-G29 PolarHBondContact O-N 2.8Å; D25-H30 PolarHBondContact N-O 3.11Å
26P89.8Confident86Confident73 Ų7351 Ų5147%0.47427%0.271SS..THydrogen-bonded Turntrans-64.9-22.1-178.8-21.334.6000113.6R5 E7 R24R5-P26 WeakPolarHBondContact O-CD 3.29Å; E7-P26 HydrophobicContact CG-CG 3.92Å; R24-P26 WeakPolarHBondContact O-CD 3.37Å
27H87.8Confident87.2Confident181 Ų18149.1 Ų49.184%0.83826%0.255SS*.THydrogen-bonded Turntrans-79.7-47.9-177.8-172.570000112D25D25-H27 PolarHBondContact O-N 2.88Å; D25-H27 WeakPolarHBondContact OD1-CB 3.31Å; D25-H27 PolarHBondContact OD1-N 3.29Å
28S89.4Confident88Confident51 Ų5153.7 Ų53.736%0.35727%0.272SS..THydrogen-bonded Turntrans-92-18.8-179.965.50000113.7D25 H30D25-S28 WeakPolarHBondContact CB-OG 3.35Å; D25-S28 VanDerWaalsContact CG-OG 3.23Å; D25-S28 WeakPolarHBondContact OD2-CB 3.39Å; D25-S28 PolarHBondContact OD2-OG 2.76Å; S28-H30 PolarHBondContact O-N 2.93Å; S28-H30 PolarHBondContact OG-N 2.95Å
29G89.4Confident88.3Confident30 Ų3052.5 Ų52.531%0.30926%0.258SS..  trans76-5.9-172.700000114.3D25D25-G29 WeakPolarHBondContact O-CA 3.39Å; D25-G29 PolarHBondContact O-N 2.8Å
30H91.6Very high88Confident132 Ų13252.1 Ų52.161%0.61126%0.257SS*.  trans-78.2158.4-178.9-65.1-57000112.7D25 S28D25-H30 PolarHBondContact N-O 3.11Å; S28-H30 PolarHBondContact O-N 2.93Å; S28-H30 PolarHBondContact OG-N 2.95Å
31F94.5Very high87.3Confident94 Ų9451.9 Ų51.941%0.41225%0.254SS..EExtended strand (participates in β ladder)trans-85.7143.4172.4-69.6-66.2000111.5V9 K22 A23 R24 H95V9-F31 HydrophobicContact CG2-CE1 4.15Å; K22-F31 HydrophobicContact CD-CD1 4.21Å; K22-F31 HydrophobicContact CD-CG 4.47Å; K22-F31 HydrophobicContact CG-CB 4.49Å; K22-F31 HydrophobicContact CG-CD1 3.94Å; K22-F31 HydrophobicContact CG-CG 4.4Å; A23-F31 CarbonylContact O-C 3.44Å; A23-F31 WeakPolarHBondContact O-CA 3.07Å; R24-F31 HydrophobicContact CB-CD1 4.4Å; R24-F31 HydrophobicContact CB-CE1 4.34Å; F31-H95 HydrophobicContact CB-CB 3.95Å; F31-H95 WeakPolarHBondContact O-CB 2.89Å
32V94.9Very high85.9Confident1 Ų150 Ų501%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-128.7160.2174.5-600000110.1Y6 A23 L34 M75 V92 F93Y6-V32 HydrophobicContact CD1-CG1 4.44Å; Y6-V32 HydrophobicContact CD1-CG2 3.53Å; Y6-V32 HydrophobicContact CE1-CG1 4.18Å; Y6-V32 HydrophobicContact CE1-CG2 4Å; Y6-V32 HydrophobicContact CG-CG2 4.07Å; A23-V32 HydrophobicContact CB-CG2 3.99Å; A23-V32 PolarHBondContact N-O 3.22Å; A23-V32 PolarHBondContact O-N 3.36Å; V32-L34 HydrophobicContact CG2-CD2 3.9Å; V32-L34 HydrophobicContact CG2-CG 4.44Å; V32-M75 HydrophobicContact CG1-CE 4.4Å; V32-M75 HydrophobicContact CG1-SD 3.9Å; V32-V92 HydrophobicContact CB-CG1 3.77Å; V32-V92 HydrophobicContact CG1-CG1 4.07Å; V32-V92 HydrophobicContact CG2-CG1 3.88Å; V32-F93 WeakPolarHBondContact CA-O 3.21Å; V32-F93 WeakPolarHBondContact CB-O 3.38Å
33A93.8Very high83.9Confident12 Ų1252.1 Ų52.110%0.09930%0.295CS..EExtended strand (participates in β ladder)trans-105.1120.1171.400000110I12 V20 Y21 V92 F93I12-A33 HydrophobicContact CD1-CB 4.4Å; V20-A33 HydrophobicContact CG1-CB 4.24Å; Y21-A33 CarbonylContact O-C 3.51Å; Y21-A33 WeakPolarHBondContact O-CA 3.23Å; A33-V92 WeakPolarHBondContact O-CA 3.4Å; A33-F93 HydrophobicContact CB-CB 4.29Å; A33-F93 PolarHBondContact N-O 2.83Å; A33-F93 PolarHBondContact O-N 3.24Å
34L91.8Very high82.1Confident17 Ų1754.7 Ų54.79%0.08932%0.322CS..EExtended strand (participates in β ladder)trans-97.1111.9178-54.6-177.5000109.6Y6 V20 Y21 A23 V32 T90 V92Y6-L34 HydrophobicContact CD2-CD2 3.97Å; Y6-L34 HydrophobicContact CG-CD2 3.98Å; V20-L34 WeakPolarHBondContact CA-O 3.48Å; Y21-L34 PolarHBondContact N-O 3.5Å; Y21-L34 PolarHBondContact O-N 3.43Å; A23-L34 HydrophobicContact CB-CD1 3.42Å; A23-L34 VanDerWaalsContact CB-CD1 3.42Å; A23-L34 HydrophobicContact CB-CD2 4.35Å; A23-L34 HydrophobicContact CB-CG 3.64Å; V32-L34 HydrophobicContact CG2-CD2 3.9Å; V32-L34 HydrophobicContact CG2-CG 4.44Å; L34-T90 HydrophobicContact CB-CG2 4.08Å; L34-T90 HydrophobicContact CD2-CG2 4.27Å; L34-V92 HydrophobicContact CD2-CB 4.29Å; L34-V92 HydrophobicContact CD2-CG1 3.99Å; L34-V92 HydrophobicContact CD2-CG2 3.77Å
35K87.4Confident79.7Confident5 Ų554.8 Ų54.82%0.02235%0.349CS..EExtended strand (participates in β ladder)trans-106.3114.2173.6-172.6169.6-175.2171.60109.7V20 T90 L91 F93 D158 L161V20-K35 HydrophobicContact CG2-CG 4.3Å; K35-T90 WeakPolarHBondContact O-CA 3.44Å; K35-L91 PolarHBondContact N-O 3.11Å; K35-L91 PolarHBondContact O-N 3.44Å; K35-F93 HydrophobicContact CB-CD2 4.28Å; K35-F93 HydrophobicContact CB-CE2 4.05Å; K35-F93 HydrophobicContact CD-CE2 4.36Å; K35-D158 IonicContact NZ-OD1 3.14Å; K35-D158 PolarHBondContact NZ-OD1 3.21Å; K35-D158 IonicContact NZ-OD2 3.69Å; K35-D158 PolarHBondContact NZ-OD2 3.44Å; K35-L161 HydrophobicContact CD-CD1 4.26Å
36S82.4Confident77.9Confident23 Ų2357.6 Ų57.616%0.16138%0.382CS..EExtended strand (participates in β ladder)trans-92.8126.3179.1-68.50000111.2K88 T90S36-K88 VanDerWaalsContact OG-CE 3.25Å; S36-K88 WeakPolarHBondContact OG-CE 3.24Å; S36-T90 PolarHBondContact OG-OG1 3.21Å
37V76.9Confident76.4Confident4 Ų455.8 Ų55.82%0.02438%0.376CS..EExtended strand (participates in β ladder)trans-114.7129.5176.1-177.90000108.8V39 K88 V89 L91 I164 Y165V37-V39 HydrophobicContact CG1-CG2 3.88Å; V37-K88 WeakPolarHBondContact O-CA 3.48Å; V37-V89 PolarHBondContact N-O 3.15Å; V37-V89 PolarHBondContact O-N 3.08Å; V37-L91 HydrophobicContact CG2-CD1 4.32Å; V37-I164 HydrophobicContact CG1-CG2 3.9Å; V37-Y165 HydrophobicContact CB-CE1 4.5Å; V37-Y165 HydrophobicContact CG1-CE1 3.68Å; V37-Y165 HydrophobicContact CG2-CE1 4.15Å; V37-Y165 WeakPolarHBondContact CG2-OH 3.39Å
38R76.6Confident75.4Confident143 Ų14348.6 Ų48.654%0.5435%0.351SS..EExtended strand (participates in β ladder)trans-98133.9172.2-56.2-173.3-158.9-144.59108.3E86 Q168R38-E86 VanDerWaalsContact CD-OE2 3.25Å; R38-E86 WeakPolarHBondContact CD-OE2 3.48Å; R38-E86 IonicContact NH1-OE1 3.47Å; R38-E86 PolarHBondContact NH1-OE1 2.76Å; R38-Q168 PolarHBondContact O-NE2 3.25Å; R38-Q168 PolarHBondContact O-OE1 2.98Å; R38-Q168 VanDerWaalsContact O-OE1 3.07Å
39V75.3Confident74.7Confident4 Ų448.9 Ų48.92%0.02435%0.348CS..EExtended strand (participates in β ladder)trans-129.4131.9-176.3-167.10000108.2V37 N41 L49 P50 T53 E86 I87 V89V37-V39 HydrophobicContact CG1-CG2 3.88Å; V39-N41 PolarHBondContact O-N 3.11Å; V39-L49 HydrophobicContact CB-CD2 3.99Å; V39-L49 HydrophobicContact CG1-CD2 4.26Å; V39-L49 HydrophobicContact CG2-CD2 4.13Å; V39-P50 HydrophobicContact CG1-CG 3.42Å; V39-P50 VanDerWaalsContact CG1-CG 3.42Å; V39-T53 HydrophobicContact CG1-CG2 4.46Å; V39-T53 WeakPolarHBondContact CG1-OG1 3.45Å; V39-T53 HydrophobicContact CG2-CG2 4Å; V39-E86 CarbonylContact O-C 3.47Å; V39-E86 WeakPolarHBondContact O-CA 3.43Å; V39-I87 PolarHBondContact N-O 3.16Å; V39-I87 PolarHBondContact O-N 3.37Å; V39-V89 HydrophobicContact CG2-CG2 4.5Å
40P72.1Confident73.9Confident29 Ų2949.4 Ų49.419%0.18835%0.346CS..EExtended strand (participates in β ladder)trans-57.3131.7177.9-8.414.4000110.3G42 R85 Y167P40-G42 PolarHBondContact O-N 2.92Å; P40-R85 WeakPolarHBondContact CA-O 3.47Å; P40-Y167 HydrophobicContact CB-CD1 4.31Å; P40-Y167 HydrophobicContact CB-CE1 3.81Å; P40-Y167 HydrophobicContact CG-CD1 3.17Å; P40-Y167 HydrophobicContact CG-CE1 3.13Å; P40-Y167 HydrophobicContact CG-CG 4.19Å
41N72.6Confident73.2Confident22 Ų2248.9 Ų48.912%0.11835%0.347CS..  trans-78.1103.5170-172.115.2000106.1V39 G43 T83 R85 I87V39-N41 PolarHBondContact O-N 3.11Å; N41-G43 PolarHBondContact O-N 3.39Å; N41-T83 PolarHBondContact ND2-O 3.35Å; N41-R85 PolarHBondContact N-O 2.89Å; N41-I87 HydrophobicContact CB-CG1 4.21Å
42G61.3Low72.1Confident45 Ų4547.1 Ų47.146%0.46435%0.346SS..  trans-60.6110.1-17800000109.8P40 G44P40-G42 PolarHBondContact O-N 2.92Å; G42-G44 PolarHBondContact O-N 3.47Å
43G53.3Low71.2Confident89 Ų8947.3 Ų47.392%0.91835%0.347SS*.  trans-6823.8-175.300000116.1N41N41-G43 PolarHBondContact O-N 3.39Å
44G55.6Low70.5Confident54 Ų5450.3 Ų50.356%0.55736%0.364SS*.SBendtrans-89.416617300000112.5G42 G46 G47G42-G44 PolarHBondContact O-N 3.47Å; G44-G46 PolarHBondContact O-N 2.95Å; G44-G47 PolarHBondContact O-N 3.3Å
45A45.1Very low69.8Low127 Ų12758.3 Ų58.3100%1.0539%0.393SS*.THydrogen-bonded Turntrans-6220.7-168.700000117.7
46G54Low69.3Low74 Ų7459 Ų5976%0.76340%0.397SS*.THydrogen-bonded Turntrans-148.432.1178.500000113.9G44G44-G46 PolarHBondContact O-N 2.95Å
47G58Low69.2Low34 Ų3459 Ų5935%0.35140%0.395SS..  trans-32.8133.2-166.800000117G44 R82G44-G47 PolarHBondContact O-N 3.3Å; G47-R82 PolarHBondContact O-NH2 3.2Å
48G68.6Low69.5Low30 Ų3061.5 Ų61.531%0.30942%0.417SS..SBendtrans179-172.9-178.200000112.1I87G48-I87 VanDerWaalsContact C-CD1 3.45Å
49L73.4Confident69.8Low58 Ų5857.6 Ų57.630%0.30441%0.406SS..SBendtrans-66.7140.3174-73.2171000110.4V39 T53 V54 I87 V89V39-L49 HydrophobicContact CB-CD2 3.99Å; V39-L49 HydrophobicContact CG1-CD2 4.26Å; V39-L49 HydrophobicContact CG2-CD2 4.13Å; L49-T53 HydrophobicContact CD2-CG2 4.36Å; L49-V54 HydrophobicContact CB-CG2 3.86Å; L49-I87 HydrophobicContact CD2-CB 3.8Å; L49-I87 HydrophobicContact CD2-CD1 3.92Å; L49-I87 HydrophobicContact CD2-CG1 4.46Å; L49-I87 HydrophobicContact CD2-CG2 3.65Å; L49-I87 HydrophobicContact CG-CD1 4.06Å; L49-I87 HydrophobicContact CG-CG2 4.27Å; L49-V89 HydrophobicContact CD1-CG2 3.91Å; L49-V89 HydrophobicContact CD2-CG2 3.63Å; L49-V89 HydrophobicContact CG-CG2 4.41Å
50P73.9Confident70.2Confident40 Ų4057.6 Ų57.626%0.2641%0.406SS..  trans-50.1139.9168.2-25.634.2000111.9V39 S52 T53 V54V39-P50 HydrophobicContact CG1-CG 3.42Å; V39-P50 VanDerWaalsContact CG1-CG 3.42Å; P50-S52 PolarHBondContact O-N 3.42Å; P50-T53 WeakPolarHBondContact O-CA 3.37Å; P50-T53 WeakPolarHBondContact O-CB 3.48Å; P50-T53 PolarHBondContact O-N 3.21Å; P50-V54 PolarHBondContact O-N 3.07Å; P50-V54 VanDerWaalsContact O-N 3.07Å
51I75Confident70.9Confident121 Ų12159.8 Ų59.862%0.62141%0.41SS*.Hα-helixtrans-58.6-34.6-179.3-64.5170.5000111.4T53 V54 R55I51-T53 VanDerWaalsContact C-N 3.32Å; I51-T53 PolarHBondContact O-N 2.93Å; I51-V54 PolarHBondContact O-N 2.94Å; I51-R55 HydrophobicContact CG2-CG 4.33Å; I51-R55 WeakPolarHBondContact O-CB 3.25Å; I51-R55 VanDerWaalsContact O-CG 3.3Å; I51-R55 WeakPolarHBondContact O-CG 3.21Å; I51-R55 PolarHBondContact O-N 3.36Å
52S71.9Confident71.5Confident58 Ų5866.8 Ų66.841%0.40644%0.435SS..Hα-helixtrans-58.4-44.2173.6490000111.7P50 R55 E56P50-S52 PolarHBondContact O-N 3.42Å; S52-R55 PolarHBondContact O-N 2.68Å; S52-E56 PolarHBondContact O-N 3.47Å
53T75.5Confident72.8Confident4 Ų465.1 Ų65.13%0.02542%0.416CS..Hα-helixtrans-64.2-45.9176.4-49.90000112.7V39 L49 P50 I51 R55 E56 V57 I164V39-T53 HydrophobicContact CG1-CG2 4.46Å; V39-T53 WeakPolarHBondContact CG1-OG1 3.45Å; V39-T53 HydrophobicContact CG2-CG2 4Å; L49-T53 HydrophobicContact CD2-CG2 4.36Å; P50-T53 WeakPolarHBondContact O-CA 3.37Å; P50-T53 WeakPolarHBondContact O-CB 3.48Å; P50-T53 PolarHBondContact O-N 3.21Å; I51-T53 VanDerWaalsContact C-N 3.32Å; I51-T53 PolarHBondContact O-N 2.93Å; T53-R55 VanDerWaalsContact C-N 3.28Å; T53-R55 PolarHBondContact O-N 3.02Å; T53-E56 PolarHBondContact O-N 3.45Å; T53-V57 WeakPolarHBondContact O-CG2 3.4Å; T53-V57 PolarHBondContact O-N 2.99Å; T53-I164 VanDerWaalsContact CA-CG1 3.41Å; T53-I164 HydrophobicContact CG2-CD1 3.69Å; T53-I164 HydrophobicContact CG2-CG1 3.86Å; T53-I164 HydrophobicContact CG2-CG2 4.48Å
54V79.1Confident74.4Confident76 Ų7663.8 Ų63.846%0.46139%0.386SS..Hα-helixtrans-60.4-42.3177.7177.60000110.7L49 P50 I51 A58L49-V54 HydrophobicContact CB-CG2 3.86Å; P50-V54 PolarHBondContact O-N 3.07Å; P50-V54 VanDerWaalsContact O-N 3.07Å; I51-V54 PolarHBondContact O-N 2.94Å; V54-A58 WeakPolarHBondContact O-CB 3.4Å; V54-A58 PolarHBondContact O-N 2.91Å
55R77.7Confident76Confident184 Ų18465.3 Ų65.369%0.69439%0.393SS*.Hα-helixtrans-64.5-42.7178.1-75.1176.2178.9177.60.6112.9I51 S52 T53 A58 L59I51-R55 HydrophobicContact CG2-CG 4.33Å; I51-R55 WeakPolarHBondContact O-CB 3.25Å; I51-R55 VanDerWaalsContact O-CG 3.3Å; I51-R55 WeakPolarHBondContact O-CG 3.21Å; I51-R55 PolarHBondContact O-N 3.36Å; S52-R55 PolarHBondContact O-N 2.68Å; T53-R55 VanDerWaalsContact C-N 3.28Å; T53-R55 PolarHBondContact O-N 3.02Å; R55-A58 PolarHBondContact O-N 3.32Å; R55-L59 VanDerWaalsContact O-CB 3.31Å; R55-L59 WeakPolarHBondContact O-CB 3.46Å; R55-L59 PolarHBondContact O-N 2.81Å
56E77.1Confident78.3Confident21 Ų2164.5 Ų64.510%0.09837%0.366CS..Hα-helixtrans-66.4-45.4178.1-75.5-167.7170.500111.4S52 T53 A58 L59 L60 G160 L161 R163 I164S52-E56 PolarHBondContact O-N 3.47Å; T53-E56 PolarHBondContact O-N 3.45Å; E56-A58 PolarHBondContact O-N 2.82Å; E56-L59 PolarHBondContact O-N 3.32Å; E56-L60 WeakPolarHBondContact O-CG 3.41Å; E56-L60 PolarHBondContact O-N 3.28Å; E56-G160 WeakPolarHBondContact CG-O 3.31Å; E56-G160 VanDerWaalsContact OE2-O 3.1Å; E56-L161 VanDerWaalsContact OE2-C 3.28Å; E56-L161 WeakPolarHBondContact OE2-CA 3.4Å; E56-R163 VanDerWaalsContact OE1-CA 3.27Å; E56-R163 WeakPolarHBondContact OE1-CA 3.27Å; E56-R163 WeakPolarHBondContact OE1-CB 3.48Å; E56-R163 PolarHBondContact OE1-N 2.84Å; E56-I164 HydrophobicContact CB-CD1 3.56Å; E56-I164 HydrophobicContact CB-CG1 4.06Å; E56-I164 HydrophobicContact CG-CD1 4.27Å; E56-I164 HydrophobicContact CG-CG1 4.27Å; E56-I164 PolarHBondContact OE1-N 3.17Å; E56-I164 VanDerWaalsContact OE2-CB 3.23Å; E56-I164 WeakPolarHBondContact OE2-CB 3.45Å; E56-I164 WeakPolarHBondContact OE2-CD1 3.4Å; E56-I164 WeakPolarHBondContact OE2-CG1 3.39Å; E56-I164 PolarHBondContact OE2-N 2.98Å
57V80.6Confident80.1Confident22 Ų2267.3 Ų67.313%0.13336%0.359CS..Hα-helixtrans-61.4-43.6174.9172.90000111.5T53 L59 L60 R61 V77 L91T53-V57 WeakPolarHBondContact O-CG2 3.4Å; T53-V57 PolarHBondContact O-N 2.99Å; V57-L59 VanDerWaalsContact C-N 3.29Å; V57-L59 PolarHBondContact O-N 3.49Å; V57-L60 PolarHBondContact O-N 2.76Å; V57-R61 WeakPolarHBondContact O-CG 3.4Å; V57-R61 PolarHBondContact O-N 3.28Å; V57-V77 HydrophobicContact CG1-CB 4.42Å; V57-V77 HydrophobicContact CG1-CG1 3.99Å; V57-V77 HydrophobicContact CG1-CG2 3.77Å; V57-L91 HydrophobicContact CG2-CD2 4.16Å
58A83.4Confident82Confident57 Ų5767.5 Ų67.547%0.47135%0.351SS..Hα-helixtrans-63-36.4177.200000112.2V54 R55 E56 R61 R62V54-A58 WeakPolarHBondContact O-CB 3.4Å; V54-A58 PolarHBondContact O-N 2.91Å; R55-A58 PolarHBondContact O-N 3.32Å; E56-A58 PolarHBondContact O-N 2.82Å; A58-R61 PolarHBondContact O-N 2.89Å; A58-R62 WeakPolarHBondContact O-CB 3.43Å; A58-R62 PolarHBondContact O-N 2.84Å
59L82.7Confident83.3Confident61 Ų6169.7 Ų69.732%0.31936%0.359SS..Hα-helixtrans-67.5-45.1175174149.4000111.4R55 E56 V57 R61 R62 L63 I136R55-L59 VanDerWaalsContact O-CB 3.31Å; R55-L59 WeakPolarHBondContact O-CB 3.46Å; R55-L59 PolarHBondContact O-N 2.81Å; E56-L59 PolarHBondContact O-N 3.32Å; V57-L59 VanDerWaalsContact C-N 3.29Å; V57-L59 PolarHBondContact O-N 3.49Å; L59-R61 VanDerWaalsContact C-N 3.29Å; L59-R61 PolarHBondContact O-N 3.15Å; L59-R62 WeakPolarHBondContact O-CB 3.36Å; L59-R62 PolarHBondContact O-N 3.47Å; L59-R62 VanDerWaalsContact O-N 3.11Å; L59-L63 HydrophobicContact CD2-CD1 4.28Å; L59-L63 WeakPolarHBondContact O-CG 3.44Å; L59-L63 PolarHBondContact O-N 3.3Å; L59-I136 HydrophobicContact CD1-CD1 4.28Å; L59-I136 HydrophobicContact CD1-CG1 4.04Å; L59-I136 HydrophobicContact CD2-CD1 3.5Å; L59-I136 HydrophobicContact CD2-CG1 3.92Å; L59-I136 HydrophobicContact CG-CD1 4.14Å; L59-I136 HydrophobicContact CG-CG1 4.42Å
60L83.8Confident84.5Confident4 Ų467.1 Ų67.12%0.02135%0.346CS..Hα-helixtrans-59-41.8174.3-66.9178.2000111.7E56 V57 L63 E64 L74 L91 F93 F159 L161E56-L60 WeakPolarHBondContact O-CG 3.41Å; E56-L60 PolarHBondContact O-N 3.28Å; V57-L60 PolarHBondContact O-N 2.76Å; L60-L63 PolarHBondContact O-N 3.19Å; L60-E64 PolarHBondContact O-N 3.03Å; L60-E64 VanDerWaalsContact O-N 3.11Å; L60-L74 HydrophobicContact CB-CD2 3.49Å; L60-L74 VanDerWaalsContact CB-CD2 3.49Å; L60-L74 HydrophobicContact CD1-CD2 4.31Å; L60-L91 HydrophobicContact CD1-CD1 4.4Å; L60-F93 HydrophobicContact CD1-CZ 4.5Å; L60-F159 HydrophobicContact CD2-CD2 3.71Å; L60-F159 HydrophobicContact CD2-CE2 3.23Å; L60-F159 HydrophobicContact CD2-CZ 3.99Å; L60-L161 HydrophobicContact CD1-CD2 3.91Å; L60-L161 HydrophobicContact CD1-CG 4.35Å
61R85.6Confident85.5Confident74 Ų7465.6 Ų65.628%0.27934%0.336SS..Hα-helixtrans-64.4-37.1173.7-74-61.2-161.8169.79.8113.2V57 A58 L59 L63 E64 L74 M75 D76V57-R61 WeakPolarHBondContact O-CG 3.4Å; V57-R61 PolarHBondContact O-N 3.28Å; A58-R61 PolarHBondContact O-N 2.89Å; L59-R61 VanDerWaalsContact C-N 3.29Å; L59-R61 PolarHBondContact O-N 3.15Å; R61-L63 VanDerWaalsContact C-N 3.31Å; R61-L63 PolarHBondContact O-N 2.83Å; R61-E64 WeakPolarHBondContact CD-OE2 3.35Å; R61-E64 IonicContact CZ-OE2 2.71Å; R61-E64 IonicContact NH1-OE1 3.51Å; R61-E64 IonicContact NH1-OE2 3.62Å; R61-E64 PolarHBondContact NH1-OE2 3.05Å; R61-E64 VanDerWaalsContact O-CB 3.29Å; R61-E64 WeakPolarHBondContact O-CB 3.44Å; R61-E64 PolarHBondContact O-N 3.09Å; R61-L74 HydrophobicContact CG-CD2 3.98Å; R61-L74 PolarHBondContact NH1-O 2.83Å; R61-M75 PolarHBondContact NH1-O 2.97Å; R61-D76 VanDerWaalsContact NH2-C 3.3Å; R61-D76 IonicContact NH2-OD1 3.23Å; R61-D76 PolarHBondContact NH2-OD1 3.15Å
62R86.9Confident86.4Confident169 Ų16960.3 Ų60.364%0.63831%0.309SS*.Hα-helixtrans-64.7-38.1174.2179.9179.3170.9-171.6-4.4111.5A58 L59 E64 A65 F66A58-R62 WeakPolarHBondContact O-CB 3.43Å; A58-R62 PolarHBondContact O-N 2.84Å; L59-R62 WeakPolarHBondContact O-CB 3.36Å; L59-R62 PolarHBondContact O-N 3.47Å; L59-R62 VanDerWaalsContact O-N 3.11Å; R62-E64 VanDerWaalsContact C-N 3.32Å; R62-A65 PolarHBondContact O-N 3.11Å; R62-F66 HydrophobicContact CG-CE2 4.41Å; R62-F66 WeakPolarHBondContact O-CD2 3.13Å
63L87.3Confident87.4Confident10 Ų1062.2 Ų62.25%0.05231%0.308CS..Hα-helixtrans-67.5-33.1177.1-66.2-175.5000112.8L59 L60 R61 A65 F66 F130 L131 N134 I136 F159L59-L63 HydrophobicContact CD2-CD1 4.28Å; L59-L63 WeakPolarHBondContact O-CG 3.44Å; L59-L63 PolarHBondContact O-N 3.3Å; L60-L63 PolarHBondContact O-N 3.19Å; R61-L63 VanDerWaalsContact C-N 3.31Å; R61-L63 PolarHBondContact O-N 2.83Å; L63-A65 PolarHBondContact O-N 3.01Å; L63-F66 PolarHBondContact O-N 2.99Å; L63-F130 HydrophobicContact CD2-CE1 3.86Å; L63-F130 HydrophobicContact CD2-CZ 3.8Å; L63-L131 HydrophobicContact CD1-CD2 3.89Å; L63-N134 HydrophobicContact CD2-CB 3.95Å; L63-I136 HydrophobicContact CD1-CD1 3.22Å; L63-I136 HydrophobicContact CD2-CD1 3.88Å; L63-I136 HydrophobicContact CG-CD1 3.92Å; L63-F159 HydrophobicContact CD1-CD2 4.22Å; L63-F159 HydrophobicContact CD1-CE2 3.45Å; L63-F159 VanDerWaalsContact CD1-CE2 3.45Å; L63-F159 HydrophobicContact CD1-CZ 4.21Å
64E87.4Confident88.1Confident62 Ų6262.2 Ų62.229%0.2931%0.308SS..Hα-helixtrans-51.3-41.2175.3-171.3-174.3-171.700111.5L60 R61 R62 F66 E67L60-E64 PolarHBondContact O-N 3.03Å; L60-E64 VanDerWaalsContact O-N 3.11Å; R61-E64 WeakPolarHBondContact CD-OE2 3.35Å; R61-E64 IonicContact CZ-OE2 2.71Å; R61-E64 IonicContact NH1-OE1 3.51Å; R61-E64 IonicContact NH1-OE2 3.62Å; R61-E64 PolarHBondContact NH1-OE2 3.05Å; R61-E64 VanDerWaalsContact O-CB 3.29Å; R61-E64 WeakPolarHBondContact O-CB 3.44Å; R61-E64 PolarHBondContact O-N 3.09Å; R62-E64 VanDerWaalsContact C-N 3.32Å; E64-F66 PolarHBondContact O-N 3.34Å; E64-F66 VanDerWaalsContact O-N 3.11Å; E64-E67 WeakPolarHBondContact O-CG 3.49Å; E64-E67 PolarHBondContact O-N 3.28Å
65A89.5Confident88.7Confident86 Ų8662.2 Ų62.271%0.71130%0.303SS*.THydrogen-bonded Turntrans-63.7-17.1-178.600000114.8R62 L63R62-A65 PolarHBondContact O-N 3.11Å; L63-A65 PolarHBondContact O-N 3.01Å
66F91.9Very high89.2Confident110 Ų11054.8 Ų54.848%0.48228%0.277SS..THydrogen-bonded Turntrans-88.2-15.8176.2-67-90.2000112.9R62 L63 E64 H68 F130R62-F66 HydrophobicContact CG-CE2 4.41Å; R62-F66 WeakPolarHBondContact O-CD2 3.13Å; L63-F66 PolarHBondContact O-N 2.99Å; E64-F66 PolarHBondContact O-N 3.34Å; E64-F66 VanDerWaalsContact O-N 3.11Å; F66-H68 PolarHBondContact O-N 3.35Å; F66-F130 HydrophobicContact CB-CE2 3.71Å; F66-F130 HydrophobicContact CB-CZ 3.64Å; F66-F130 HydrophobicContact CD1-CE2 4.08Å; F66-F130 HydrophobicContact CD2-CE2 4.29Å; F66-F130 HydrophobicContact CD2-CZ 4.04Å; F66-F130 AromaticContact CG-CE2 3.77Å; F66-F130 HydrophobicContact CG-CE2 3.77Å; F66-F130 AromaticContact CG-CZ 3.86Å; F66-F130 HydrophobicContact CG-CZ 3.86Å
67E93.2Very high89.7Confident133 Ų13355.7 Ų55.762%0.62129%0.285SS*.THydrogen-bonded Turntrans47.537-180-58.5-167.6102.100114E64E64-E67 WeakPolarHBondContact O-CG 3.49Å; E64-E67 PolarHBondContact O-N 3.28Å
68H96.5Very high89.8Confident38 Ų3856 Ų5618%0.17629%0.287CS..  trans-60.4126.5-174.9-171.6-79.2000110.5F66 N70 V71 F130F66-H68 PolarHBondContact O-N 3.35Å; H68-N70 PolarHBondContact ND1-N 3.48Å; H68-N70 VanDerWaalsContact ND1-N 3.15Å; H68-N70 PolarHBondContact O-N 3.11Å; H68-N70 VanDerWaalsContact O-N 3.13Å; H68-V71 HydrophobicContact CB-CB 4.35Å; H68-V71 HydrophobicContact CB-CG2 4.33Å; H68-V71 PolarHBondContact O-N 3.23Å; H68-F130 HydrophobicContact CB-CD1 3.93Å; H68-F130 HydrophobicContact CB-CD2 4.26Å; H68-F130 HydrophobicContact CB-CE1 3.91Å; H68-F130 HydrophobicContact CB-CE2 4.26Å; H68-F130 HydrophobicContact CB-CG 4.09Å; H68-F130 HydrophobicContact CB-CZ 4.08Å; H68-F130 AromaticContact CD2-CD2 3.7Å; H68-F130 AromaticContact CD2-CG 3.54Å; H68-F130 AromaticContact CG-CD1 3.92Å; H68-F130 AromaticContact CG-CG 3.75Å
69P97.5Very high89.4Confident75 Ų7557.3 Ų57.349%0.48730%0.298SS..THydrogen-bonded Turntrans-61.3-33.6-169.622.5-34.1000112.7K155P69-K155 WeakPolarHBondContact O-CG 3.48Å; P69-K155 PolarHBondContact O-NZ 2.92Å
70N98Very high88.7Confident5 Ų557.9 Ų57.93%0.02730%0.304CS..THydrogen-bonded Turntrans-96.419-176.5-50.4114.7000115.6H68 Q123 V154 L156H68-N70 PolarHBondContact ND1-N 3.48Å; H68-N70 VanDerWaalsContact ND1-N 3.15Å; H68-N70 PolarHBondContact O-N 3.11Å; H68-N70 VanDerWaalsContact O-N 3.13Å; N70-Q123 VanDerWaalsContact CB-O 3.29Å; N70-Q123 WeakPolarHBondContact CB-O 3.29Å; N70-Q123 VanDerWaalsContact CG-O 3.25Å; N70-Q123 WeakPolarHBondContact ND2-CB 3.35Å; N70-Q123 PolarHBondContact ND2-OE1 3.11Å; N70-Q123 VanDerWaalsContact ND2-OE1 3.16Å; N70-Q123 PolarHBondContact OD1-O 2.93Å; N70-V154 WeakPolarHBondContact CA-O 3.01Å; N70-V154 WeakPolarHBondContact CB-O 3.27Å; N70-V154 PolarHBondContact ND2-O 3.36Å; N70-L156 PolarHBondContact O-N 3.08Å
71V95.6Very high88.3Confident8 Ų860.6 Ų60.65%0.04832%0.323CS..BIsolated β-bridgetrans-127.4138.8173.8178.20000108.6H68 F130 L131 K155 F159H68-V71 HydrophobicContact CB-CB 4.35Å; H68-V71 HydrophobicContact CB-CG2 4.33Å; H68-V71 PolarHBondContact O-N 3.23Å; V71-F130 HydrophobicContact CG2-CD1 3.78Å; V71-F130 HydrophobicContact CG2-CE1 4.23Å; V71-L131 HydrophobicContact CG1-CD2 4.38Å; V71-L131 HydrophobicContact CG2-CD2 4.33Å; V71-L131 HydrophobicContact CG2-CG 4.36Å; V71-K155 PolarHBondContact O-NZ 2.69Å; V71-F159 HydrophobicContact CG1-CD1 4.32Å; V71-F159 HydrophobicContact CG1-CE1 3.29Å; V71-F159 HydrophobicContact CG1-CE2 4.23Å; V71-F159 HydrophobicContact CG1-CZ 3.24Å
72V93.8Very high87.9Confident9 Ų964.1 Ų64.16%0.05534%0.337CS..  trans-66.9133.7178.276.60000110.4F93 E94 L156 A157 F159V72-F93 HydrophobicContact CG1-CD1 3.83Å; V72-F93 HydrophobicContact CG1-CE1 4.21Å; V72-F93 HydrophobicContact CG2-CB 4.16Å; V72-F93 HydrophobicContact CG2-CD1 4.36Å; V72-E94 WeakPolarHBondContact CA-OE1 3.2Å; V72-E94 HydrophobicContact CG2-CG 3.55Å; V72-L156 WeakPolarHBondContact CB-O 3.38Å; V72-L156 WeakPolarHBondContact CG1-O 2.96Å; V72-L156 PolarHBondContact N-O 3.1Å; V72-A157 HydrophobicContact CB-CB 4.34Å; V72-A157 HydrophobicContact CG1-CB 4.01Å; V72-F159 HydrophobicContact CG1-CE1 3.96Å
73R91.9Very high87.5Confident98 Ų9858.9 Ų58.937%0.3732%0.323SS..  trans-81130.5178.6-66.6-177.6-67.1169.92.4111.5M75 F93 E94R73-M75 PolarHBondContact O-N 3.46Å; R73-F93 CarbonylContact O-C 3.47Å; R73-F93 VanDerWaalsContact O-CA 3.25Å; R73-F93 WeakPolarHBondContact O-CA 2.82Å; R73-E94 HydrophobicContact CB-CB 4.45Å; R73-E94 HydrophobicContact CB-CG 4.19Å; R73-E94 IonicContact CZ-OE2 3.89Å; R73-E94 PolarHBondContact N-OE1 3.43Å; R73-E94 IonicContact NE-OE1 3.44Å; R73-E94 IonicContact NE-OE2 3.25Å; R73-E94 PolarHBondContact NE-OE2 3.13Å; R73-E94 IonicContact NH2-OE2 3.29Å; R73-E94 PolarHBondContact NH2-OE2 3.18Å; R73-E94 PolarHBondContact O-N 2.74Å
74L91.3Very high87Confident5 Ų565.6 Ų65.63%0.02636%0.359CS..EExtended strand (participates in β ladder)trans-85.998.5167.5175.367.2000108.6L60 R61 D76 V77 L91 V92 F93L60-L74 HydrophobicContact CB-CD2 3.49Å; L60-L74 VanDerWaalsContact CB-CD2 3.49Å; L60-L74 HydrophobicContact CD1-CD2 4.31Å; R61-L74 HydrophobicContact CG-CD2 3.98Å; R61-L74 PolarHBondContact NH1-O 2.83Å; L74-D76 WeakPolarHBondContact CD1-O 3.21Å; L74-V77 HydrophobicContact CD1-CG2 4.14Å; L74-V77 HydrophobicContact CD2-CG2 3.79Å; L74-V77 HydrophobicContact CG-CG2 4.21Å; L74-L91 HydrophobicContact CD1-CB 3.91Å; L74-L91 HydrophobicContact CD1-CD2 4.31Å; L74-V92 CarbonylContact C-O 3.56Å; L74-F93 HydrophobicContact CB-CD1 4.17Å; L74-F93 HydrophobicContact CB-CE1 3.98Å; L74-F93 HydrophobicContact CD1-CD1 4.17Å; L74-F93 HydrophobicContact CD1-CE1 3.85Å; L74-F93 HydrophobicContact CD1-CE2 4.35Å; L74-F93 HydrophobicContact CD1-CZ 3.95Å; L74-F93 HydrophobicContact CG-CE1 4.5Å
75M90.4Very high86.4Confident75 Ų7573.1 Ų73.137%0.36939%0.385SS..EExtended strand (participates in β ladder)trans-76.5-41.1-176.4-56.9177.968.500112.8V32 R61 R73 V92 E94V32-M75 HydrophobicContact CG1-CE 4.4Å; V32-M75 HydrophobicContact CG1-SD 3.9Å; R61-M75 PolarHBondContact NH1-O 2.97Å; R73-M75 PolarHBondContact O-N 3.46Å; M75-V92 PolarHBondContact N-O 3.49Å; M75-E94 HydrophobicContact SD-CB 4.12Å
76D88.6Confident85.8Confident28 Ų2871.8 Ų71.815%0.1536%0.364CS..EExtended strand (participates in β ladder)trans-146.4161.9-179.2-155.211.2000114.1R5 R61 L74 V92R5-D76 IonicContact CZ-OD2 3.92Å; R5-D76 IonicContact NH1-OD2 3.99Å; R5-D76 PolarHBondContact NH1-OD2 2.86Å; R61-D76 VanDerWaalsContact NH2-C 3.3Å; R61-D76 IonicContact NH2-OD1 3.23Å; R61-D76 PolarHBondContact NH2-OD1 3.15Å; L74-D76 WeakPolarHBondContact CD1-O 3.21Å; D76-V92 HydrophobicContact CB-CB 3.81Å; D76-V92 HydrophobicContact CB-CG1 4.45Å; D76-V92 HydrophobicContact CB-CG2 3.89Å; D76-V92 PolarHBondContact N-O 3.17Å; D76-V92 VanDerWaalsContact N-O 3.1Å; D76-V92 PolarHBondContact O-N 3.24Å
77V87.1Confident85.2Confident41 Ų4167.1 Ų67.125%0.24834%0.344CS..EExtended strand (participates in β ladder)trans-136113.8174.5179.10000108V57 L74 V89 L91V57-V77 HydrophobicContact CG1-CB 4.42Å; V57-V77 HydrophobicContact CG1-CG1 3.99Å; V57-V77 HydrophobicContact CG1-CG2 3.77Å; L74-V77 HydrophobicContact CD1-CG2 4.14Å; L74-V77 HydrophobicContact CD2-CG2 3.79Å; L74-V77 HydrophobicContact CG-CG2 4.21Å; V77-V89 HydrophobicContact CG1-CG1 3.77Å; V77-L91 HydrophobicContact CB-CD2 4.46Å; V77-L91 HydrophobicContact CG1-CD2 4.02Å; V77-L91 HydrophobicContact CG2-CD2 3.88Å
78C83.3Confident84.6Confident29 Ų2964.5 Ų64.520%0.19633%0.331CS..EExtended strand (participates in β ladder)trans-113.1124-179.2-51.30000110.1T80 T90C78-T80 HydrophobicContact CB-CG2 3.94Å; C78-T80 PolarHBondContact O-N 2.83Å; C78-T90 PolarHBondContact N-O 3.04Å; C78-T90 PolarHBondContact O-N 3.07Å
79A74.9Confident83.9Confident84 Ų8463 Ų6369%0.69432%0.324SS*.EExtended strand (participates in β ladder)trans-77.1107.3162.800000108
80T69.1Low83.4Confident72 Ų7259.9 Ų59.944%0.44230%0.304SS..EExtended strand (participates in β ladder)trans-97-23.2-168.648.70000113.6C78 K88 T90C78-T80 HydrophobicContact CB-CG2 3.94Å; C78-T80 PolarHBondContact O-N 2.83Å; T80-K88 PolarHBondContact N-O 2.93Å; T80-K88 WeakPolarHBondContact OG1-CD 3.45Å; T80-K88 WeakPolarHBondContact OG1-CG 3.25Å; T80-K88 PolarHBondContact OG1-O 2.85Å; T80-T90 VanDerWaalsContact CG2-OG1 3.24Å; T80-T90 WeakPolarHBondContact CG2-OG1 3.15Å; T80-T90 PolarHBondContact OG1-OG1 3.3Å
81S74.1Confident82.9Confident61 Ų6159.7 Ų59.743%0.42730%0.303SS..EExtended strand (participates in β ladder)trans-159.6148.6174.2-177.50000111I87 K88S81-I87 WeakPolarHBondContact O-CA 3.34Å; S81-K88 PolarHBondContact N-O 3.11Å; S81-K88 PolarHBondContact O-N 3.3Å
82R78.1Confident82.8Confident148 Ų14859.3 Ų59.356%0.55830%0.301SS*.EExtended strand (participates in β ladder)trans-132.3127.8172.5177.8171.3-171.4-178.85108.9G47 I87G47-R82 PolarHBondContact O-NH2 3.2Å; R82-I87 HydrophobicContact CG-CG1 4.05Å
83T78.4Confident82.7Confident59 Ų5959.6 Ų59.636%0.36230%0.301SS..  trans-122.7168.617168.70000108.8N41 R85 E86N41-T83 PolarHBondContact ND2-O 3.35Å; T83-R85 PolarHBondContact O-N 2.93Å; T83-R85 VanDerWaalsContact O-N 3.11Å; T83-R85 PolarHBondContact OG1-N 3.35Å; T83-E86 PolarHBondContact N-O 3Å; T83-E86 WeakPolarHBondContact OG1-CG 3.25Å; T83-E86 PolarHBondContact OG1-N 3.16Å; T83-E86 PolarHBondContact OG1-O 3.29Å
84D76.3Confident82.8Confident151 Ų15155.8 Ų55.881%0.80729%0.288SS*.SBendtrans-60.8-21175.6-62.1-30.2000112.9
85R74.4Confident82.9Confident220 Ų22057.4 Ų57.483%0.8330%0.295SS*.SBendtrans-102-34.7-177.3-62.2-176.9-1781790.3113.6P40 N41 T83P40-R85 WeakPolarHBondContact CA-O 3.47Å; N41-R85 PolarHBondContact N-O 2.89Å; T83-R85 PolarHBondContact O-N 2.93Å; T83-R85 VanDerWaalsContact O-N 3.11Å; T83-R85 PolarHBondContact OG1-N 3.35Å
86E77.8Confident83.1Confident59 Ų5954.6 Ų54.628%0.27628%0.282SS..EExtended strand (participates in β ladder)trans-148.3148.8-173.863.5176.1-160.600113.7R38 V39 T83R38-E86 VanDerWaalsContact CD-OE2 3.25Å; R38-E86 WeakPolarHBondContact CD-OE2 3.48Å; R38-E86 IonicContact NH1-OE1 3.47Å; R38-E86 PolarHBondContact NH1-OE1 2.76Å; V39-E86 CarbonylContact O-C 3.47Å; V39-E86 WeakPolarHBondContact O-CA 3.43Å; T83-E86 PolarHBondContact N-O 3Å; T83-E86 WeakPolarHBondContact OG1-CG 3.25Å; T83-E86 PolarHBondContact OG1-N 3.16Å; T83-E86 PolarHBondContact OG1-O 3.29Å
87I78.6Confident83Confident11 Ų1157.8 Ų57.86%0.05630%0.299CS..EExtended strand (participates in β ladder)trans-108.4125.7168-58.5168.1000107.4V39 N41 G48 L49 S81 R82 V89V39-I87 PolarHBondContact N-O 3.16Å; V39-I87 PolarHBondContact O-N 3.37Å; N41-I87 HydrophobicContact CB-CG1 4.21Å; G48-I87 VanDerWaalsContact C-CD1 3.45Å; L49-I87 HydrophobicContact CD2-CB 3.8Å; L49-I87 HydrophobicContact CD2-CD1 3.92Å; L49-I87 HydrophobicContact CD2-CG1 4.46Å; L49-I87 HydrophobicContact CD2-CG2 3.65Å; L49-I87 HydrophobicContact CG-CD1 4.06Å; L49-I87 HydrophobicContact CG-CG2 4.27Å; S81-I87 WeakPolarHBondContact O-CA 3.34Å; R82-I87 HydrophobicContact CG-CG1 4.05Å; I87-V89 HydrophobicContact CG2-CG2 4.17Å
88K80.4Confident83.4Confident79 Ų7957.5 Ų57.534%0.34330%0.295SS..EExtended strand (participates in β ladder)trans-92.4117.8172.5-169.2-177.3176.6-175.80109.1S36 V37 T80 S81S36-K88 VanDerWaalsContact OG-CE 3.25Å; S36-K88 WeakPolarHBondContact OG-CE 3.24Å; V37-K88 WeakPolarHBondContact O-CA 3.48Å; T80-K88 PolarHBondContact N-O 2.93Å; T80-K88 WeakPolarHBondContact OG1-CD 3.45Å; T80-K88 WeakPolarHBondContact OG1-CG 3.25Å; T80-K88 PolarHBondContact OG1-O 2.85Å; S81-K88 PolarHBondContact N-O 3.11Å; S81-K88 PolarHBondContact O-N 3.3Å
89V82.3Confident84Confident5 Ų558 Ų583%0.0330%0.296CS..EExtended strand (participates in β ladder)trans-108.9126.3174.2-176.50000108V37 V39 L49 V77 I87 L91V37-V89 PolarHBondContact N-O 3.15Å; V37-V89 PolarHBondContact O-N 3.08Å; V39-V89 HydrophobicContact CG2-CG2 4.5Å; L49-V89 HydrophobicContact CD1-CG2 3.91Å; L49-V89 HydrophobicContact CD2-CG2 3.63Å; L49-V89 HydrophobicContact CG-CG2 4.41Å; V77-V89 HydrophobicContact CG1-CG1 3.77Å; I87-V89 HydrophobicContact CG2-CG2 4.17Å; V89-L91 HydrophobicContact CG1-CD2 4.07Å
90T87.1Confident85Confident10 Ų1054.2 Ų54.26%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-105.2116.5174.1-61.20000108.5L34 K35 S36 C78 T80L34-T90 HydrophobicContact CB-CG2 4.08Å; L34-T90 HydrophobicContact CD2-CG2 4.27Å; K35-T90 WeakPolarHBondContact O-CA 3.44Å; S36-T90 PolarHBondContact OG-OG1 3.21Å; C78-T90 PolarHBondContact N-O 3.04Å; C78-T90 PolarHBondContact O-N 3.07Å; T80-T90 VanDerWaalsContact CG2-OG1 3.24Å; T80-T90 WeakPolarHBondContact CG2-OG1 3.15Å; T80-T90 PolarHBondContact OG1-OG1 3.3Å
91L88.2Confident86.3Confident2 Ų253 Ų531%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-89.4131172-54.9178.2000108.1K35 V37 V57 L60 L74 V77 V89 F93 L161K35-L91 PolarHBondContact N-O 3.11Å; K35-L91 PolarHBondContact O-N 3.44Å; V37-L91 HydrophobicContact CG2-CD1 4.32Å; V57-L91 HydrophobicContact CG2-CD2 4.16Å; L60-L91 HydrophobicContact CD1-CD1 4.4Å; L74-L91 HydrophobicContact CD1-CB 3.91Å; L74-L91 HydrophobicContact CD1-CD2 4.31Å; V77-L91 HydrophobicContact CB-CD2 4.46Å; V77-L91 HydrophobicContact CG1-CD2 4.02Å; V77-L91 HydrophobicContact CG2-CD2 3.88Å; V89-L91 HydrophobicContact CG1-CD2 4.07Å; L91-F93 HydrophobicContact CB-CD2 4.14Å; L91-F93 HydrophobicContact CB-CE2 3.43Å; L91-F93 VanDerWaalsContact CB-CE2 3.43Å; L91-F93 HydrophobicContact CB-CZ 3.97Å; L91-F93 HydrophobicContact CD1-CE2 4.08Å; L91-F93 HydrophobicContact CD1-CZ 4.04Å; L91-F93 HydrophobicContact CG-CE2 4.41Å; L91-L161 HydrophobicContact CD1-CD1 4.1Å; L91-L161 HydrophobicContact CD1-CD2 3.75Å
92V91.9Very high87.3Confident0 Ų052.2 Ų52.20%024%0.244CC..EExtended strand (participates in β ladder)trans-110.1110.3-177.8-174.50000107.7Y6 V32 A33 L34 L74 M75 D76Y6-V92 HydrophobicContact CD2-CG1 4.45Å; Y6-V92 HydrophobicContact CD2-CG2 4.04Å; Y6-V92 HydrophobicContact CE1-CG1 4.01Å; Y6-V92 HydrophobicContact CE2-CB 4.32Å; Y6-V92 HydrophobicContact CE2-CG1 3.95Å; Y6-V92 HydrophobicContact CE2-CG2 3.59Å; V32-V92 HydrophobicContact CB-CG1 3.77Å; V32-V92 HydrophobicContact CG1-CG1 4.07Å; V32-V92 HydrophobicContact CG2-CG1 3.88Å; A33-V92 WeakPolarHBondContact O-CA 3.4Å; L34-V92 HydrophobicContact CD2-CB 4.29Å; L34-V92 HydrophobicContact CD2-CG1 3.99Å; L34-V92 HydrophobicContact CD2-CG2 3.77Å; L74-V92 CarbonylContact C-O 3.56Å; M75-V92 PolarHBondContact N-O 3.49Å; D76-V92 HydrophobicContact CB-CB 3.81Å; D76-V92 HydrophobicContact CB-CG1 4.45Å; D76-V92 HydrophobicContact CB-CG2 3.89Å; D76-V92 PolarHBondContact N-O 3.17Å; D76-V92 VanDerWaalsContact N-O 3.1Å; D76-V92 PolarHBondContact O-N 3.24Å
93F92.9Very high88.2Confident15 Ų1547.7 Ų47.77%0.06623%0.227CC..EExtended strand (participates in β ladder)trans-103.8158.9179.6-65.4-84.7000111V32 A33 K35 L60 V72 R73 L74 L91 H95V32-F93 WeakPolarHBondContact CA-O 3.21Å; V32-F93 WeakPolarHBondContact CB-O 3.38Å; A33-F93 HydrophobicContact CB-CB 4.29Å; A33-F93 PolarHBondContact N-O 2.83Å; A33-F93 PolarHBondContact O-N 3.24Å; K35-F93 HydrophobicContact CB-CD2 4.28Å; K35-F93 HydrophobicContact CB-CE2 4.05Å; K35-F93 HydrophobicContact CD-CE2 4.36Å; L60-F93 HydrophobicContact CD1-CZ 4.5Å; V72-F93 HydrophobicContact CG1-CD1 3.83Å; V72-F93 HydrophobicContact CG1-CE1 4.21Å; V72-F93 HydrophobicContact CG2-CB 4.16Å; V72-F93 HydrophobicContact CG2-CD1 4.36Å; R73-F93 CarbonylContact O-C 3.47Å; R73-F93 VanDerWaalsContact O-CA 3.25Å; R73-F93 WeakPolarHBondContact O-CA 2.82Å; L74-F93 HydrophobicContact CB-CD1 4.17Å; L74-F93 HydrophobicContact CB-CE1 3.98Å; L74-F93 HydrophobicContact CD1-CD1 4.17Å; L74-F93 HydrophobicContact CD1-CE1 3.85Å; L74-F93 HydrophobicContact CD1-CE2 4.35Å; L74-F93 HydrophobicContact CD1-CZ 3.95Å; L74-F93 HydrophobicContact CG-CE1 4.5Å; L91-F93 HydrophobicContact CB-CD2 4.14Å; L91-F93 HydrophobicContact CB-CE2 3.43Å; L91-F93 VanDerWaalsContact CB-CE2 3.43Å; L91-F93 HydrophobicContact CB-CZ 3.97Å; L91-F93 HydrophobicContact CD1-CE2 4.08Å; L91-F93 HydrophobicContact CD1-CZ 4.04Å; L91-F93 HydrophobicContact CG-CE2 4.41Å; F93-H95 PolarHBondContact O-N 3.33Å
94E93.1Very high89.1Confident18 Ų1845 Ų458%0.08421%0.21CC..EExtended strand (participates in β ladder)trans-58.2139.916469.8-175.715300110V72 R73 M75 K155V72-E94 WeakPolarHBondContact CA-OE1 3.2Å; V72-E94 HydrophobicContact CG2-CG 3.55Å; R73-E94 HydrophobicContact CB-CB 4.45Å; R73-E94 HydrophobicContact CB-CG 4.19Å; R73-E94 IonicContact CZ-OE2 3.89Å; R73-E94 PolarHBondContact N-OE1 3.43Å; R73-E94 IonicContact NE-OE1 3.44Å; R73-E94 IonicContact NE-OE2 3.25Å; R73-E94 PolarHBondContact NE-OE2 3.13Å; R73-E94 IonicContact NH2-OE2 3.29Å; R73-E94 PolarHBondContact NH2-OE2 3.18Å; R73-E94 PolarHBondContact O-N 2.74Å; M75-E94 HydrophobicContact SD-CB 4.12Å; E94-K155 WeakPolarHBondContact OE1-CD 3.47Å; E94-K155 WeakPolarHBondContact OE1-CE 3.27Å; E94-K155 IonicContact OE1-NZ 3.72Å; E94-K155 PolarHBondContact OE1-NZ 3.15Å; E94-K155 IonicContact OE2-NZ 2.82Å
95H94.4Very high90Very high39 Ų3943.1 Ų43.118%0.18120%0.2CC..PPolyproline II helixtrans-84.5135.2176.3-17961.5000110.4K22 F31 F93K22-H95 WeakPolarHBondContact CE-NE2 3.4Å; K22-H95 PolarHBondContact NZ-NE2 3.47Å; F31-H95 HydrophobicContact CB-CB 3.95Å; F31-H95 WeakPolarHBondContact O-CB 2.89Å; F93-H95 PolarHBondContact O-N 3.33Å
96V94.3Very high91Very high15 Ų1539.1 Ų39.19%0.09119%0.189CC..  trans-120.3141.8170.4-175.70000108.3Q98 L147 T149 K155V96-Q98 VanDerWaalsContact C-N 3.33Å; V96-Q98 PolarHBondContact O-N 3.31Å; V96-L147 HydrophobicContact CB-CB 3.78Å; V96-L147 HydrophobicContact CB-CD1 3.88Å; V96-L147 HydrophobicContact CB-CG 4.41Å; V96-L147 HydrophobicContact CG1-CB 3.67Å; V96-L147 HydrophobicContact CG2-CB 4.07Å; V96-L147 HydrophobicContact CG2-CD1 3.88Å; V96-T149 HydrophobicContact CG1-CG2 3.88Å; V96-K155 HydrophobicContact CG2-CD 3.74Å
97D87.2Confident91.7Very high95 Ų9536.9 Ų36.951%0.50818%0.181SC..SBendtrans-63.9-33.7-166.3-60.8-60.3000114.2S150D97-S150 PolarHBondContact OD2-N 2.81Å; D97-S150 PolarHBondContact OD2-OG 3.49Å
98Q94.1Very high92.4Very high35 Ų3540.9 Ų40.916%0.16421%0.207CC..EExtended strand (participates in β ladder)trans-157159-175.261.2-167.2-19.600112.3V96 T102 L147 V148V96-Q98 VanDerWaalsContact C-N 3.33Å; V96-Q98 PolarHBondContact O-N 3.31Å; Q98-T102 HydrophobicContact CB-CG2 4.08Å; Q98-L147 WeakPolarHBondContact O-CA 3.43Å; Q98-V148 VanDerWaalsContact CG-O 3.3Å; Q98-V148 WeakPolarHBondContact CG-O 3.48Å; Q98-V148 PolarHBondContact O-N 2.78Å
99D95.8Very high92.9Very high41 Ų4142.8 Ų42.822%0.21923%0.227CC..EExtended strand (participates in β ladder)trans-88.5169.6168.157.849.6000112R101 T102 Y103 I146 L147D99-R101 VanDerWaalsContact C-N 3.32Å; D99-R101 PolarHBondContact O-N 2.89Å; D99-R101 WeakPolarHBondContact OD1-CB 3.43Å; D99-R101 PolarHBondContact OD1-N 2.74Å; D99-T102 PolarHBondContact O-N 3.15Å; D99-T102 WeakPolarHBondContact OD1-CB 3.45Å; D99-T102 PolarHBondContact OD1-N 2.9Å; D99-T102 PolarHBondContact OD1-OG1 3.28Å; D99-Y103 WeakPolarHBondContact O-CB 3.49Å; D99-Y103 PolarHBondContact O-N 2.79Å; D99-I146 CarbonylContact C-O 3.44Å; D99-I146 WeakPolarHBondContact CA-O 3.47Å; D99-L147 HydrophobicContact CB-CD2 4.07Å
100L97.4Very high93.3Very high3 Ų347.3 Ų47.32%0.01626%0.257CS..Hα-helixtrans-67.6-31.7-178.8-178.364.7000111.7Y103 L104 L120 P143 I146 V148 I203 M207L100-Y103 HydrophobicContact CD1-CD1 4.17Å; L100-Y103 PolarHBondContact O-N 2.86Å; L100-L104 HydrophobicContact CD1-CG 4.27Å; L100-L104 HydrophobicContact CG-CD1 4.15Å; L100-L104 HydrophobicContact CG-CG 4.36Å; L100-L104 WeakPolarHBondContact O-CB 3.49Å; L100-L104 VanDerWaalsContact O-CG 3.24Å; L100-L104 WeakPolarHBondContact O-CG 3.44Å; L100-L104 PolarHBondContact O-N 2.88Å; L100-L120 HydrophobicContact CD1-CD1 4.44Å; L100-P143 HydrophobicContact CB-CB 4.25Å; L100-P143 WeakPolarHBondContact CB-O 3.39Å; L100-P143 HydrophobicContact CG-CB 4.47Å; L100-P143 PolarHBondContact N-O 3.12Å; L100-I146 HydrophobicContact CB-CB 4.02Å; L100-I146 HydrophobicContact CB-CG2 4.18Å; L100-I146 WeakPolarHBondContact CB-O 3.36Å; L100-I146 HydrophobicContact CD2-CB 4.28Å; L100-I146 HydrophobicContact CD2-CD1 4.04Å; L100-I146 HydrophobicContact CD2-CG2 4.2Å; L100-I146 PolarHBondContact N-O 2.87Å; L100-V148 HydrophobicContact CB-CG2 4.25Å; L100-V148 HydrophobicContact CD1-CG2 4.01Å; L100-I203 HydrophobicContact CD2-CG2 3.63Å; L100-M207 HydrophobicContact CD1-SD 4.34Å; L100-M207 HydrophobicContact CD2-CG 4.32Å; L100-M207 HydrophobicContact CD2-SD 4.26Å
101R95.9Very high93.7Very high47 Ų4747.5 Ų47.518%0.17726%0.261CS..Hα-helixtrans-57.4-55.2173167.668.978.7-153-7109.8D99 Y103 L104 D105 P143 E144 E206D99-R101 VanDerWaalsContact C-N 3.32Å; D99-R101 PolarHBondContact O-N 2.89Å; D99-R101 WeakPolarHBondContact OD1-CB 3.43Å; D99-R101 PolarHBondContact OD1-N 2.74Å; R101-Y103 VanDerWaalsContact C-N 3.28Å; R101-Y103 PolarHBondContact O-N 3.43Å; R101-L104 PolarHBondContact O-N 2.79Å; R101-D105 VanDerWaalsContact O-CG 3.29Å; R101-D105 PolarHBondContact O-N 2.95Å; R101-P143 HydrophobicContact CB-CB 3.99Å; R101-E144 HydrophobicContact CB-CG 4.39Å; R101-E144 IonicContact CZ-OE1 3.57Å; R101-E144 IonicContact NE-OE1 2.69Å; R101-E144 PolarHBondContact NE-OE1 3.5Å; R101-E144 IonicContact NH2-OE1 3.45Å; R101-E144 PolarHBondContact NH2-OE1 2.91Å; R101-E206 IonicContact CZ-OE1 2.85Å; R101-E206 IonicContact NH1-OE1 3.61Å; R101-E206 PolarHBondContact NH1-OE1 3.13Å; R101-E206 IonicContact NH2-OE1 2.88Å
102T95.7Very high94.1Very high45 Ų4548.4 Ų48.428%0.27627%0.266SS..Hα-helixtrans-61.1-38.5179-58.10000111.3Q98 D99 D105 K106Q98-T102 HydrophobicContact CB-CG2 4.08Å; D99-T102 PolarHBondContact O-N 3.15Å; D99-T102 WeakPolarHBondContact OD1-CB 3.45Å; D99-T102 PolarHBondContact OD1-N 2.9Å; D99-T102 PolarHBondContact OD1-OG1 3.28Å; T102-D105 PolarHBondContact O-N 3.5Å; T102-K106 HydrophobicContact CG2-CD 4.18Å; T102-K106 VanDerWaalsContact CG2-CE 3.46Å; T102-K106 WeakPolarHBondContact O-CG 3.25Å; T102-K106 PolarHBondContact O-N 2.87Å; T102-K106 VanDerWaalsContact O-N 3.16Å
103Y96.7Very high94.2Very high53 Ų5352.2 Ų52.221%0.20829%0.291CS..Hα-helixtrans-62.9-43.3176.1-173.3-100.7000112.1D99 L100 R101 A107 L112 L120 V148D99-Y103 WeakPolarHBondContact O-CB 3.49Å; D99-Y103 PolarHBondContact O-N 2.79Å; L100-Y103 HydrophobicContact CD1-CD1 4.17Å; L100-Y103 PolarHBondContact O-N 2.86Å; R101-Y103 VanDerWaalsContact C-N 3.28Å; R101-Y103 PolarHBondContact O-N 3.43Å; Y103-A107 PolarHBondContact O-N 3.28Å; Y103-L112 HydrophobicContact CD1-CD1 4.01Å; Y103-L112 HydrophobicContact CD1-CD2 4.24Å; Y103-L112 HydrophobicContact CE1-CD1 3.67Å; Y103-L112 HydrophobicContact CE1-CD2 3.57Å; Y103-L112 HydrophobicContact CE1-CG 4.29Å; Y103-L120 HydrophobicContact CD1-CD1 4.44Å; Y103-L120 HydrophobicContact CE1-CD1 3.93Å; Y103-V148 HydrophobicContact CD2-CB 4.26Å; Y103-V148 HydrophobicContact CD2-CG1 3.86Å; Y103-V148 HydrophobicContact CE2-CG1 3.97Å; Y103-V148 HydrophobicContact CG-CB 4.32Å; Y103-V148 HydrophobicContact CG-CG1 4.19Å; Y103-V148 HydrophobicContact CG-CG2 4.37Å
104L96.6Very high94.3Very high3 Ų353.7 Ų53.72%0.01631%0.306CS..Hα-helixtrans-69.1-39.3176.9-69.5171.7000112.4L100 R101 K106 A107 L112 E206 M207L100-L104 HydrophobicContact CD1-CG 4.27Å; L100-L104 HydrophobicContact CG-CD1 4.15Å; L100-L104 HydrophobicContact CG-CG 4.36Å; L100-L104 WeakPolarHBondContact O-CB 3.49Å; L100-L104 VanDerWaalsContact O-CG 3.24Å; L100-L104 WeakPolarHBondContact O-CG 3.44Å; L100-L104 PolarHBondContact O-N 2.88Å; R101-L104 PolarHBondContact O-N 2.79Å; L104-K106 VanDerWaalsContact C-N 3.27Å; L104-K106 PolarHBondContact O-N 2.85Å; L104-A107 VanDerWaalsContact O-CB 3.3Å; L104-A107 WeakPolarHBondContact O-CB 3.46Å; L104-A107 PolarHBondContact O-N 3.33Å; L104-A107 VanDerWaalsContact O-N 3.16Å; L104-L112 HydrophobicContact CD2-CD1 3.45Å; L104-L112 VanDerWaalsContact CD2-CD1 3.45Å; L104-L112 HydrophobicContact CD2-CG 4.07Å; L104-E206 HydrophobicContact CD1-CG 4.29Å; L104-M207 HydrophobicContact CD1-CG 4.35Å; L104-M207 HydrophobicContact CD2-CB 4.36Å; L104-M207 HydrophobicContact CD2-CG 4.23Å
105D95.3Very high94.4Very high110 Ų11057.9 Ų57.959%0.58833%0.325SS*.Hα-helixtrans-65.6-31.3179.3-70.8-20.3000112.3R101 T102R101-D105 VanDerWaalsContact O-CG 3.29Å; R101-D105 PolarHBondContact O-N 2.95Å; T102-D105 PolarHBondContact O-N 3.5Å
106K94.9Very high94.6Very high136 Ų13658.1 Ų58.159%0.59133%0.329SS*.THydrogen-bonded Turntrans-82.6-10.2176.2-70173.6-173.1167.20113.8T102 L104T102-K106 HydrophobicContact CG2-CD 4.18Å; T102-K106 VanDerWaalsContact CG2-CE 3.46Å; T102-K106 WeakPolarHBondContact O-CG 3.25Å; T102-K106 PolarHBondContact O-N 2.87Å; T102-K106 VanDerWaalsContact O-N 3.16Å; L104-K106 VanDerWaalsContact C-N 3.27Å; L104-K106 PolarHBondContact O-N 2.85Å
107A94.1Very high94.7Very high13 Ų1357.4 Ų57.411%0.10733%0.325CS..PPolyproline II helixtrans-64.8122.5-178.200000110Y103 L104 L112Y103-A107 PolarHBondContact O-N 3.28Å; L104-A107 VanDerWaalsContact O-CB 3.3Å; L104-A107 WeakPolarHBondContact O-CB 3.46Å; L104-A107 PolarHBondContact O-N 3.33Å; L104-A107 VanDerWaalsContact O-N 3.16Å; A107-L112 HydrophobicContact CB-CD2 3.75Å; A107-L112 HydrophobicContact CB-CG 4.13Å
108P92.3Very high95.2Very high94 Ų9454 Ų5461%0.6131%0.306SS*.PPolyproline II helixtrans-65.6157.5178.928.8-34.9000110.6G111P108-G111 WeakPolarHBondContact O-CA 3.33Å; P108-G111 PolarHBondContact O-N 2.83Å
109P91.4Very high95.4Very high119 Ų11955.5 Ų55.577%0.77332%0.315SS*.THydrogen-bonded Turntrans-53.7138.2168.5-23.934.1000111.3
110P90.9Very high95.5Very high101 Ų10153.8 Ų53.866%0.65631%0.306SS*.THydrogen-bonded Turncis-83.3-13.27.433.2-35.6000115.2R210P110-R210 PolarHBondContact O-NH1 3.47Å; P110-R210 PolarHBondContact O-NH2 2.88Å
111G94.7Very high95.6Very high14 Ų1453.7 Ų53.714%0.14431%0.305CS..  trans150.3-161.5-174.700000110.6P108P108-G111 WeakPolarHBondContact O-CA 3.33Å; P108-G111 PolarHBondContact O-N 2.83Å
112L95.9Very high95.7Very high21 Ų2153.5 Ų53.511%0.1130%0.304CS..SBendtrans-74140172.1-65.1-178.4000110.7Y103 L104 A107 I117 L120Y103-L112 HydrophobicContact CD1-CD1 4.01Å; Y103-L112 HydrophobicContact CD1-CD2 4.24Å; Y103-L112 HydrophobicContact CE1-CD1 3.67Å; Y103-L112 HydrophobicContact CE1-CD2 3.57Å; Y103-L112 HydrophobicContact CE1-CG 4.29Å; L104-L112 HydrophobicContact CD2-CD1 3.45Å; L104-L112 VanDerWaalsContact CD2-CD1 3.45Å; L104-L112 HydrophobicContact CD2-CG 4.07Å; A107-L112 HydrophobicContact CB-CD2 3.75Å; A107-L112 HydrophobicContact CB-CG 4.13Å; L112-I117 HydrophobicContact CB-CD1 4.13Å; L112-I117 HydrophobicContact CB-CG1 3.82Å; L112-I117 HydrophobicContact CD1-CG1 4.3Å; L112-L120 HydrophobicContact CD1-CD1 3.97Å
113P95.8Very high95.9Very high80 Ų8052.4 Ų52.452%0.51930%0.296SS..  trans-58.9144.1170.3-22.633.2000111.9E115 T116 I117P113-E115 VanDerWaalsContact C-N 3.27Å; P113-E115 PolarHBondContact O-N 2.88Å; P113-T116 WeakPolarHBondContact O-CA 3.48Å; P113-T116 VanDerWaalsContact O-CB 3.28Å; P113-T116 WeakPolarHBondContact O-CB 3.33Å; P113-T116 PolarHBondContact O-N 2.69Å; P113-I117 PolarHBondContact O-N 2.89Å
114A94.9Very high96Very high46 Ų4650 Ų5038%0.3829%0.287SS..Hα-helixtrans-56.5-39.6-179.300000112.9T116 I117 K118A114-T116 VanDerWaalsContact C-N 3.32Å; A114-T116 PolarHBondContact O-N 2.82Å; A114-I117 PolarHBondContact O-N 2.89Å; A114-K118 WeakPolarHBondContact O-CG 3.48Å; A114-K118 PolarHBondContact O-N 3.5Å
115E95.1Very high96.1Very high105 Ų10549.9 Ų49.949%0.49129%0.286SS..Hα-helixtrans-65.4-34.1176.2-68.2-56.3122.500112.8P113 K118 D119P113-E115 VanDerWaalsContact C-N 3.27Å; P113-E115 PolarHBondContact O-N 2.88Å; E115-K118 PolarHBondContact O-N 2.97Å; E115-K118 WeakPolarHBondContact OE1-CD 3.44Å; E115-K118 IonicContact OE1-NZ 2.83Å; E115-K118 PolarHBondContact OE1-NZ 2.86Å; E115-K118 VanDerWaalsContact OE1-NZ 3.14Å; E115-D119 PolarHBondContact O-N 3.13Å
116T96.9Very high96.2Very high44 Ų4450.7 Ų50.727%0.2728%0.281SS..Hα-helixtrans-64.5-45.3171.5-54.80000110.3P113 A114 K118 D119 L120P113-T116 WeakPolarHBondContact O-CA 3.48Å; P113-T116 VanDerWaalsContact O-CB 3.28Å; P113-T116 WeakPolarHBondContact O-CB 3.33Å; P113-T116 PolarHBondContact O-N 2.69Å; A114-T116 VanDerWaalsContact C-N 3.32Å; A114-T116 PolarHBondContact O-N 2.82Å; T116-K118 PolarHBondContact O-N 2.77Å; T116-D119 PolarHBondContact O-N 3.23Å; T116-L120 HydrophobicContact CG2-CD1 4.15Å; T116-L120 HydrophobicContact CG2-CG 4.39Å; T116-L120 VanDerWaalsContact O-CG 3.27Å; T116-L120 WeakPolarHBondContact O-CG 3.14Å; T116-L120 PolarHBondContact O-N 2.93Å
117I97.9Very high96.4Very high0 Ų044.2 Ų44.20%025%0.253CS..Hα-helixtrans-62.3-43.7177.6-61173.4000110.9L112 P113 A114 D119 L120 M121 F204 M207 F208L112-I117 HydrophobicContact CB-CD1 4.13Å; L112-I117 HydrophobicContact CB-CG1 3.82Å; L112-I117 HydrophobicContact CD1-CG1 4.3Å; P113-I117 PolarHBondContact O-N 2.89Å; A114-I117 PolarHBondContact O-N 2.89Å; I117-D119 VanDerWaalsContact C-N 3.31Å; I117-D119 PolarHBondContact O-N 2.97Å; I117-L120 PolarHBondContact O-N 2.8Å; I117-M121 HydrophobicContact CG2-CG 4.38Å; I117-M121 WeakPolarHBondContact O-CB 3.38Å; I117-M121 WeakPolarHBondContact O-CG 3.44Å; I117-M121 PolarHBondContact O-N 3.38Å; I117-F204 HydrophobicContact CG2-CD2 4.14Å; I117-F204 HydrophobicContact CG2-CE2 4.02Å; I117-M207 HydrophobicContact CD1-CB 4.24Å; I117-M207 HydrophobicContact CG1-CB 4.19Å; I117-M207 HydrophobicContact CG2-CB 3.88Å; I117-M207 HydrophobicContact CG2-CE 4.38Å; I117-M207 HydrophobicContact CG2-SD 4.25Å; I117-F208 HydrophobicContact CB-CE2 4.44Å; I117-F208 HydrophobicContact CB-CZ 4.35Å; I117-F208 HydrophobicContact CD1-CD1 3.67Å; I117-F208 HydrophobicContact CD1-CD2 3.97Å; I117-F208 HydrophobicContact CD1-CE1 3.72Å; I117-F208 HydrophobicContact CD1-CE2 4Å; I117-F208 HydrophobicContact CD1-CG 3.8Å; I117-F208 HydrophobicContact CD1-CZ 3.87Å; I117-F208 HydrophobicContact CG2-CD2 4.24Å; I117-F208 HydrophobicContact CG2-CE2 3.66Å; I117-F208 HydrophobicContact CG2-CZ 4.02Å
118K97.7Very high96.6Very high25 Ų2543.6 Ų43.611%0.10925%0.248CC..Hα-helixtrans-56.9-44.6174.8-76.8178.4-176.1174.80111.7A114 E115 T116 M121 R122 E265 Y294A114-K118 WeakPolarHBondContact O-CG 3.48Å; A114-K118 PolarHBondContact O-N 3.5Å; E115-K118 PolarHBondContact O-N 2.97Å; E115-K118 WeakPolarHBondContact OE1-CD 3.44Å; E115-K118 IonicContact OE1-NZ 2.83Å; E115-K118 PolarHBondContact OE1-NZ 2.86Å; E115-K118 VanDerWaalsContact OE1-NZ 3.14Å; T116-K118 PolarHBondContact O-N 2.77Å; K118-M121 PolarHBondContact O-N 3.08Å; K118-R122 WeakPolarHBondContact O-CB 3.28Å; K118-R122 PolarHBondContact O-N 3.45Å; K118-E265 WeakPolarHBondContact CE-OE1 3Å; K118-E265 IonicContact NZ-OE1 2.63Å; K118-E265 PolarHBondContact NZ-OE1 3.2Å; K118-E265 IonicContact NZ-OE2 2.72Å; K118-Y294 HydrophobicContact CD-CE2 4.29Å; K118-Y294 HydrophobicContact CG-CD1 4.39Å; K118-Y294 HydrophobicContact CG-CE1 3.64Å; K118-Y294 HydrophobicContact CG-CE2 4.05Å; K118-Y294 VanDerWaalsContact CG-CZ 3.44Å; K118-Y294 WeakPolarHBondContact CG-OH 3.26Å
119D97.9Very high96.9Very high66 Ų6641.2 Ų41.235%0.35323%0.23SC..Hα-helixtrans-67.4-46.1178.7-170.764.3000112.8E115 T116 I117 M121 R122 Q123E115-D119 PolarHBondContact O-N 3.13Å; T116-D119 PolarHBondContact O-N 3.23Å; I117-D119 VanDerWaalsContact C-N 3.31Å; I117-D119 PolarHBondContact O-N 2.97Å; D119-M121 VanDerWaalsContact C-N 3.29Å; D119-M121 PolarHBondContact O-N 3.3Å; D119-R122 PolarHBondContact O-N 3.48Å; D119-R122 IonicContact OD1-NH1 3.77Å; D119-R122 PolarHBondContact OD1-NH1 3.22Å; D119-Q123 WeakPolarHBondContact O-CG 3.49Å; D119-Q123 PolarHBondContact O-N 3.32Å; D119-Q123 PolarHBondContact OD2-NE2 2.82Å
120L98.4Very high97.1Very high5 Ų536.7 Ų36.73%0.02620%0.198CC..Hα-helixtrans-56.8-43.5174.4-67.7173.9000111.3L100 Y103 L112 T116 I117 Q123 F124 V148 V154 M207L100-L120 HydrophobicContact CD1-CD1 4.44Å; Y103-L120 HydrophobicContact CD1-CD1 4.44Å; Y103-L120 HydrophobicContact CE1-CD1 3.93Å; L112-L120 HydrophobicContact CD1-CD1 3.97Å; T116-L120 HydrophobicContact CG2-CD1 4.15Å; T116-L120 HydrophobicContact CG2-CG 4.39Å; T116-L120 VanDerWaalsContact O-CG 3.27Å; T116-L120 WeakPolarHBondContact O-CG 3.14Å; T116-L120 PolarHBondContact O-N 2.93Å; I117-L120 PolarHBondContact O-N 2.8Å; L120-Q123 PolarHBondContact O-N 3.03Å; L120-F124 VanDerWaalsContact O-CB 3.3Å; L120-F124 WeakPolarHBondContact O-CB 3.39Å; L120-F124 PolarHBondContact O-N 3.11Å; L120-V148 HydrophobicContact CD2-CG1 4.43Å; L120-V154 HydrophobicContact CB-CG2 4.2Å; L120-V154 HydrophobicContact CD2-CG2 3.42Å; L120-V154 VanDerWaalsContact CD2-CG2 3.42Å; L120-V154 HydrophobicContact CG-CG2 4.42Å; L120-M207 HydrophobicContact CB-SD 4.1Å; L120-M207 HydrophobicContact CD1-SD 4.11Å
121M98.6Very high97.3Very high0 Ų031.9 Ų31.90%017%0.167CC..Hα-helixtrans-63.2-43.2176.6-80.9-61.2-63.100112.9I117 K118 D119 Q123 F124 L125 V200 F204 M207 M275 L295I117-M121 HydrophobicContact CG2-CG 4.38Å; I117-M121 WeakPolarHBondContact O-CB 3.38Å; I117-M121 WeakPolarHBondContact O-CG 3.44Å; I117-M121 PolarHBondContact O-N 3.38Å; K118-M121 PolarHBondContact O-N 3.08Å; D119-M121 VanDerWaalsContact C-N 3.29Å; D119-M121 PolarHBondContact O-N 3.3Å; M121-Q123 VanDerWaalsContact C-N 3.33Å; M121-Q123 PolarHBondContact O-N 3.22Å; M121-F124 PolarHBondContact O-N 3.16Å; M121-F124 HydrophobicContact SD-CD1 4.28Å; M121-L125 HydrophobicContact CE-CD1 4.2Å; M121-L125 HydrophobicContact CE-CG 4.46Å; M121-L125 WeakPolarHBondContact O-CB 3.42Å; M121-L125 WeakPolarHBondContact O-CG 3.17Å; M121-L125 PolarHBondContact O-N 3.46Å; M121-V200 HydrophobicContact CE-CG1 3.63Å; M121-V200 HydrophobicContact SD-CG1 4.5Å; M121-F204 HydrophobicContact CE-CB 3.76Å; M121-F204 HydrophobicContact CE-CD1 4.19Å; M121-F204 HydrophobicContact CE-CD2 4.01Å; M121-F204 HydrophobicContact CE-CG 3.73Å; M121-F204 HydrophobicContact CG-CD2 3.44Å; M121-F204 VanDerWaalsContact CG-CD2 3.44Å; M121-F204 HydrophobicContact CG-CE2 3.82Å; M121-F204 HydrophobicContact CG-CG 4.16Å; M121-F204 HydrophobicContact SD-CB 3.64Å; M121-F204 HydrophobicContact SD-CD2 3.65Å; M121-F204 HydrophobicContact SD-CG 3.8Å; M121-M207 HydrophobicContact CG-CE 3.55Å; M121-M207 HydrophobicContact SD-CE 3.18Å; M121-M207 WeakPolarHBondContact SD-CE 3.47Å; M121-M275 HydrophobicContact CE-CE 3.71Å; M121-M275 HydrophobicContact CE-SD 4.16Å; M121-L295 HydrophobicContact CB-CD2 4.06Å
122R98.5Very high97.3Very high44 Ų4432.5 Ų32.517%0.16617%0.166CC..Hα-helixtrans-60.9-45.1176.6-171.2-174.8-61.9107.31.3111K118 D119 R126 L290 L295K118-R122 WeakPolarHBondContact O-CB 3.28Å; K118-R122 PolarHBondContact O-N 3.45Å; D119-R122 PolarHBondContact O-N 3.48Å; D119-R122 IonicContact OD1-NH1 3.77Å; D119-R122 PolarHBondContact OD1-NH1 3.22Å; R122-R126 VanDerWaalsContact O-CG 3.28Å; R122-R126 WeakPolarHBondContact O-CG 3.46Å; R122-R126 PolarHBondContact O-N 3.34Å; R122-L290 HydrophobicContact CG-CD2 4.23Å; R122-L290 WeakPolarHBondContact O-CD2 3.45Å; R122-L295 PolarHBondContact NE-O 3.23Å; R122-L295 PolarHBondContact NH2-O 3.34Å
123Q98.7Very high97.2Very high21 Ų2135 Ų3510%0.09819%0.19CC..Hα-helixtrans-66.3-42.4177.5-69.3-171.260.500112.5N70 D119 L120 M121 R126 G127 G152 T153 V154N70-Q123 VanDerWaalsContact CB-O 3.29Å; N70-Q123 WeakPolarHBondContact CB-O 3.29Å; N70-Q123 VanDerWaalsContact CG-O 3.25Å; N70-Q123 WeakPolarHBondContact ND2-CB 3.35Å; N70-Q123 PolarHBondContact ND2-OE1 3.11Å; N70-Q123 VanDerWaalsContact ND2-OE1 3.16Å; N70-Q123 PolarHBondContact OD1-O 2.93Å; D119-Q123 WeakPolarHBondContact O-CG 3.49Å; D119-Q123 PolarHBondContact O-N 3.32Å; D119-Q123 PolarHBondContact OD2-NE2 2.82Å; L120-Q123 PolarHBondContact O-N 3.03Å; M121-Q123 VanDerWaalsContact C-N 3.33Å; M121-Q123 PolarHBondContact O-N 3.22Å; Q123-R126 PolarHBondContact O-N 3.42Å; Q123-G127 PolarHBondContact O-N 3.02Å; Q123-G127 VanDerWaalsContact O-N 3.11Å; Q123-G152 PolarHBondContact NE2-O 3.33Å; Q123-T153 VanDerWaalsContact OE1-CA 3.3Å; Q123-V154 HydrophobicContact CB-CB 3.79Å; Q123-V154 HydrophobicContact CB-CG2 3.95Å
124F98.7Very high96.9Very high3 Ų333.1 Ų33.11%0.01318%0.175CC..Hα-helixtrans-57.4-53.8174.7-178.5-173.7000110.6L120 M121 R126 G127 L128 L141 I146 V154 L156 V200 I203L120-F124 VanDerWaalsContact O-CB 3.3Å; L120-F124 WeakPolarHBondContact O-CB 3.39Å; L120-F124 PolarHBondContact O-N 3.11Å; M121-F124 PolarHBondContact O-N 3.16Å; M121-F124 HydrophobicContact SD-CD1 4.28Å; F124-R126 VanDerWaalsContact C-N 3.31Å; F124-R126 PolarHBondContact O-N 3.16Å; F124-G127 PolarHBondContact O-N 3Å; F124-G127 VanDerWaalsContact O-N 3.16Å; F124-L128 PolarHBondContact O-N 3.21Å; F124-L141 HydrophobicContact CE2-CD1 4.09Å; F124-L141 HydrophobicContact CE2-CD2 3.78Å; F124-L141 HydrophobicContact CZ-CD1 4Å; F124-L141 HydrophobicContact CZ-CD2 3.93Å; F124-L141 HydrophobicContact CZ-CG 4.45Å; F124-I146 HydrophobicContact CD1-CD1 4.08Å; F124-I146 HydrophobicContact CE1-CD1 3.54Å; F124-I146 HydrophobicContact CE2-CD1 4.06Å; F124-I146 HydrophobicContact CE2-CG1 4.49Å; F124-I146 HydrophobicContact CZ-CD1 3.52Å; F124-I146 HydrophobicContact CZ-CG1 4.36Å; F124-V154 HydrophobicContact CB-CG1 4.35Å; F124-L156 HydrophobicContact CD2-CD1 4.28Å; F124-L156 HydrophobicContact CD2-CD2 3.52Å; F124-L156 HydrophobicContact CD2-CG 4.41Å; F124-L156 HydrophobicContact CE2-CD1 4.36Å; F124-L156 HydrophobicContact CE2-CD2 3.59Å; F124-V200 HydrophobicContact CD1-CG1 4.3Å; F124-V200 HydrophobicContact CD1-CG2 4.47Å; F124-V200 HydrophobicContact CE1-CB 4.13Å; F124-V200 HydrophobicContact CE1-CG1 4.05Å; F124-V200 HydrophobicContact CE1-CG2 3.77Å; F124-V200 HydrophobicContact CE2-CG2 3.97Å; F124-V200 HydrophobicContact CZ-CB 4.3Å; F124-V200 HydrophobicContact CZ-CG2 3.49Å; F124-V200 VanDerWaalsContact CZ-CG2 3.49Å; F124-I203 HydrophobicContact CE1-CB 4.32Å; F124-I203 HydrophobicContact CE1-CD1 4.16Å; F124-I203 HydrophobicContact CE1-CG2 4.18Å; F124-I203 HydrophobicContact CZ-CD1 4.19Å
125L98.8Very high96.6Very high0 Ų036.6 Ų36.60%020%0.195CC..Hα-helixtrans-63.4-34.3-179-73.8167.9000112.8M121 L128 D129 M197 V200 M275 A286 A289 L290 L295M121-L125 HydrophobicContact CE-CD1 4.2Å; M121-L125 HydrophobicContact CE-CG 4.46Å; M121-L125 WeakPolarHBondContact O-CB 3.42Å; M121-L125 WeakPolarHBondContact O-CG 3.17Å; M121-L125 PolarHBondContact O-N 3.46Å; L125-L128 PolarHBondContact O-N 3.37Å; L125-D129 VanDerWaalsContact O-CB 3.25Å; L125-D129 WeakPolarHBondContact O-CB 3.3Å; L125-D129 PolarHBondContact O-N 3.03Å; L125-M197 HydrophobicContact CD2-CE 3.79Å; L125-M197 HydrophobicContact CD2-SD 4.13Å; L125-V200 HydrophobicContact CD2-CG1 4.01Å; L125-M275 HydrophobicContact CD1-CE 3.96Å; L125-M275 HydrophobicContact CD2-CE 4.23Å; L125-A286 HydrophobicContact CD2-CB 4.36Å; L125-A289 HydrophobicContact CD1-CB 3.82Å; L125-A289 HydrophobicContact CD2-CB 4.04Å; L125-L290 HydrophobicContact CB-CD1 4.46Å; L125-L290 HydrophobicContact CB-CD2 3.53Å; L125-L290 HydrophobicContact CB-CG 3.77Å; L125-L295 HydrophobicContact CD1-CD1 3.41Å; L125-L295 VanDerWaalsContact CD1-CD1 3.41Å
126R98.6Very high96.2Very high127 Ų12732 Ų3248%0.47917%0.174SC..Hα-helixtrans-60.5-47.9172.5-78.5172.7177.2179.9-1.5111.8R122 Q123 F124 L128 F130 L290R122-R126 VanDerWaalsContact O-CG 3.28Å; R122-R126 WeakPolarHBondContact O-CG 3.46Å; R122-R126 PolarHBondContact O-N 3.34Å; Q123-R126 PolarHBondContact O-N 3.42Å; F124-R126 VanDerWaalsContact C-N 3.31Å; F124-R126 PolarHBondContact O-N 3.16Å; R126-L128 VanDerWaalsContact C-N 3.31Å; R126-L128 PolarHBondContact O-N 2.86Å; R126-F130 PolarHBondContact O-N 2.95Å; R126-F130 VanDerWaalsContact O-N 3.11Å; R126-L290 HydrophobicContact CG-CD1 4.15Å; R126-L290 HydrophobicContact CG-CD2 3.86Å
127G98.2Very high95.8Very high0 Ų031.1 Ų31.10%017%0.169CC..Hα-helixtrans-60.6-42.3175.800000112.1Q123 F124 F130 L131Q123-G127 PolarHBondContact O-N 3.02Å; Q123-G127 VanDerWaalsContact O-N 3.11Å; F124-G127 PolarHBondContact O-N 3Å; F124-G127 VanDerWaalsContact O-N 3.16Å; G127-F130 PolarHBondContact O-N 3.13Å; G127-L131 WeakPolarHBondContact O-CG 3.34Å; G127-L131 PolarHBondContact O-N 2.72Å; G127-L131 VanDerWaalsContact O-N 3.12Å
128L98.1Very high95.4Very high0 Ų031.3 Ų31.30%017%0.17CC..Hα-helixtrans-71.3-41.5-177.9-17261.3000112.4F124 L125 R126 F130 L131 H132 L141 L156 D196 M197 V200 A286F124-L128 PolarHBondContact O-N 3.21Å; L125-L128 PolarHBondContact O-N 3.37Å; R126-L128 VanDerWaalsContact C-N 3.31Å; R126-L128 PolarHBondContact O-N 2.86Å; L128-F130 VanDerWaalsContact C-N 3.3Å; L128-F130 PolarHBondContact O-N 3.45Å; L128-L131 PolarHBondContact O-N 3.42Å; L128-L131 VanDerWaalsContact O-N 3.15Å; L128-H132 WeakPolarHBondContact CD1-NE2 3.5Å; L128-H132 PolarHBondContact O-CD2 3.32Å; L128-H132 PolarHBondContact O-N 3.15Å; L128-L141 HydrophobicContact CD1-CD1 4.06Å; L128-L141 HydrophobicContact CD2-CD1 4.15Å; L128-L156 HydrophobicContact CB-CD1 4.14Å; L128-D196 HydrophobicContact CD1-CB 3.97Å; L128-D196 HydrophobicContact CD2-CB 3.99Å; L128-M197 HydrophobicContact CD2-SD 3.78Å; L128-V200 HydrophobicContact CD2-CG2 3.44Å; L128-V200 VanDerWaalsContact CD2-CG2 3.44Å; L128-A286 HydrophobicContact CB-CB 4.5Å; L128-A286 HydrophobicContact CG-CB 4.44Å
129D98.4Very high94.9Very high44 Ų4434.5 Ų34.524%0.23518%0.181CC..Hα-helixtrans-58.6-44174.8-172.355.6000111.1L125 L131 H132 A133 A286 F287 L290L125-D129 VanDerWaalsContact O-CB 3.25Å; L125-D129 WeakPolarHBondContact O-CB 3.3Å; L125-D129 PolarHBondContact O-N 3.03Å; D129-L131 PolarHBondContact O-N 2.94Å; D129-H132 PolarHBondContact O-N 2.89Å; D129-A133 VanDerWaalsContact O-CB 3.31Å; D129-A133 WeakPolarHBondContact O-CB 3.36Å; D129-A133 PolarHBondContact O-N 2.82Å; D129-A286 HydrophobicContact CB-CB 3.8Å; D129-F287 WeakPolarHBondContact OD1-CA 3.38Å; D129-F287 WeakPolarHBondContact OD1-CB 3.49Å; D129-F287 PolarHBondContact OD1-N 2.76Å; D129-L290 HydrophobicContact CB-CD1 4.1Å
130F97.2Very high94.4Very high24 Ų2432.7 Ų32.711%0.10517%0.171CC..Hα-helixtrans-58.7-44.2173.4169.7-97.5000112.7L63 F66 H68 V71 R126 G127 L128 N134L63-F130 HydrophobicContact CD2-CE1 3.86Å; L63-F130 HydrophobicContact CD2-CZ 3.8Å; F66-F130 HydrophobicContact CB-CE2 3.71Å; F66-F130 HydrophobicContact CB-CZ 3.64Å; F66-F130 HydrophobicContact CD1-CE2 4.08Å; F66-F130 HydrophobicContact CD2-CE2 4.29Å; F66-F130 HydrophobicContact CD2-CZ 4.04Å; F66-F130 AromaticContact CG-CE2 3.77Å; F66-F130 HydrophobicContact CG-CE2 3.77Å; F66-F130 AromaticContact CG-CZ 3.86Å; F66-F130 HydrophobicContact CG-CZ 3.86Å; H68-F130 HydrophobicContact CB-CD1 3.93Å; H68-F130 HydrophobicContact CB-CD2 4.26Å; H68-F130 HydrophobicContact CB-CE1 3.91Å; H68-F130 HydrophobicContact CB-CE2 4.26Å; H68-F130 HydrophobicContact CB-CG 4.09Å; H68-F130 HydrophobicContact CB-CZ 4.08Å; H68-F130 AromaticContact CD2-CD2 3.7Å; H68-F130 AromaticContact CD2-CG 3.54Å; H68-F130 AromaticContact CG-CD1 3.92Å; H68-F130 AromaticContact CG-CG 3.75Å; V71-F130 HydrophobicContact CG2-CD1 3.78Å; V71-F130 HydrophobicContact CG2-CE1 4.23Å; R126-F130 PolarHBondContact O-N 2.95Å; R126-F130 VanDerWaalsContact O-N 3.11Å; G127-F130 PolarHBondContact O-N 3.13Å; L128-F130 VanDerWaalsContact C-N 3.3Å; L128-F130 PolarHBondContact O-N 3.45Å; F130-N134 WeakPolarHBondContact CE2-ND2 3.32Å; F130-N134 PolarHBondContact O-N 2.8Å; F130-N134 PolarHBondContact O-ND2 3Å
131L94.6Very high94.2Very high0 Ų032.6 Ų32.60%017%0.171CC..Hα-helixtrans-62.7-46175.9-68.8179.6000111.3L63 V71 G127 L128 D129 A133 N134 C135 I136 L156 F159L63-L131 HydrophobicContact CD1-CD2 3.89Å; V71-L131 HydrophobicContact CG1-CD2 4.38Å; V71-L131 HydrophobicContact CG2-CD2 4.33Å; V71-L131 HydrophobicContact CG2-CG 4.36Å; G127-L131 WeakPolarHBondContact O-CG 3.34Å; G127-L131 PolarHBondContact O-N 2.72Å; G127-L131 VanDerWaalsContact O-N 3.12Å; L128-L131 PolarHBondContact O-N 3.42Å; L128-L131 VanDerWaalsContact O-N 3.15Å; D129-L131 PolarHBondContact O-N 2.94Å; L131-A133 PolarHBondContact O-N 3.27Å; L131-N134 CarbonylContact O-C 3.56Å; L131-N134 PolarHBondContact O-N 2.86Å; L131-N134 VanDerWaalsContact O-N 3.11Å; L131-C135 PolarHBondContact O-N 2.83Å; L131-I136 CarbonylContact C-O 3.58Å; L131-I136 HydrophobicContact CB-CB 4.2Å; L131-I136 HydrophobicContact CB-CG2 4.41Å; L131-I136 HydrophobicContact CD2-CB 4.46Å; L131-I136 HydrophobicContact CD2-CD1 4.1Å; L131-I136 HydrophobicContact CD2-CG2 4.3Å; L131-I136 WeakPolarHBondContact O-CB 3.5Å; L131-I136 PolarHBondContact O-N 2.77Å; L131-L156 HydrophobicContact CD1-CD1 3.92Å; L131-F159 HydrophobicContact CD1-CB 4.11Å; L131-F159 HydrophobicContact CD1-CD1 4.32Å; L131-F159 HydrophobicContact CD1-CG 4.1Å; L131-F159 HydrophobicContact CD2-CD2 3.87Å; L131-F159 HydrophobicContact CD2-CE2 4.01Å; L131-F159 HydrophobicContact CD2-CG 4.16Å; L131-F159 HydrophobicContact CD2-CZ 4.44Å
132H94.1Very high94Very high27 Ų2734.2 Ų34.213%0.12518%0.178CC..Hα-helixtrans-63.6-41.3-179.7-72.6-170.7000111.9L128 D129 N134 C135 I136 T193 D196L128-H132 WeakPolarHBondContact CD1-NE2 3.5Å; L128-H132 PolarHBondContact O-CD2 3.32Å; L128-H132 PolarHBondContact O-N 3.15Å; D129-H132 PolarHBondContact O-N 2.89Å; H132-N134 PolarHBondContact O-N 3.05Å; H132-C135 PolarHBondContact O-N 3.44Å; H132-I136 PolarHBondContact CD2-O 3.18Å; H132-I136 VanDerWaalsContact CD2-O 3.31Å; H132-T193 HydrophobicContact CB-CG2 4.19Å; H132-T193 PolarHBondContact CE1-O 3.09Å; H132-D196 IonicContact CD2-OD2 3.72Å; H132-D196 IonicContact CE1-OD2 2.92Å; H132-D196 IonicContact NE2-OD2 3.63Å; H132-D196 PolarHBondContact NE2-OD2 2.85Å
133A94Very high93.9Very high75 Ų7532.1 Ų32.162%0.6217%0.17SC*.Hα-helixtrans-62.2-26.817500000112.9D129 L131 C135D129-A133 VanDerWaalsContact O-CB 3.31Å; D129-A133 WeakPolarHBondContact O-CB 3.36Å; D129-A133 PolarHBondContact O-N 2.82Å; L131-A133 PolarHBondContact O-N 3.27Å; A133-C135 VanDerWaalsContact C-N 3.33Å
134N89.4Confident93.6Very high40 Ų4034.3 Ų34.321%0.21418%0.18CC..THydrogen-bonded Turntrans-95.118.4174.5-72.7-82.2000113.3L63 F130 L131 H132 I136L63-N134 HydrophobicContact CD2-CB 3.95Å; F130-N134 WeakPolarHBondContact CE2-ND2 3.32Å; F130-N134 PolarHBondContact O-N 2.8Å; F130-N134 PolarHBondContact O-ND2 3Å; L131-N134 CarbonylContact O-C 3.56Å; L131-N134 PolarHBondContact O-N 2.86Å; L131-N134 VanDerWaalsContact O-N 3.11Å; H132-N134 PolarHBondContact O-N 3.05Å; N134-I136 VanDerWaalsContact C-N 3.28Å; N134-I136 HydrophobicContact CB-CD1 4.2Å; N134-I136 PolarHBondContact O-N 2.84Å
135C87.9Confident93.3Very high118 Ų11834.7 Ų34.780%0.79718%0.182SC*.THydrogen-bonded Turntrans60.930.8178.6-53.50000114.4L131 H132 A133L131-C135 PolarHBondContact O-N 2.83Å; H132-C135 PolarHBondContact O-N 3.44Å; A133-C135 VanDerWaalsContact C-N 3.33Å
136I87.3Confident93.3Very high8 Ų834.8 Ų34.84%0.04118%0.183CC..  trans-106.4124.6177.8-61.1160.9000108.7L59 L63 L131 H132 N134 F159L59-I136 HydrophobicContact CD1-CD1 4.28Å; L59-I136 HydrophobicContact CD1-CG1 4.04Å; L59-I136 HydrophobicContact CD2-CD1 3.5Å; L59-I136 HydrophobicContact CD2-CG1 3.92Å; L59-I136 HydrophobicContact CG-CD1 4.14Å; L59-I136 HydrophobicContact CG-CG1 4.42Å; L63-I136 HydrophobicContact CD1-CD1 3.22Å; L63-I136 HydrophobicContact CD2-CD1 3.88Å; L63-I136 HydrophobicContact CG-CD1 3.92Å; L131-I136 CarbonylContact C-O 3.58Å; L131-I136 HydrophobicContact CB-CB 4.2Å; L131-I136 HydrophobicContact CB-CG2 4.41Å; L131-I136 HydrophobicContact CD2-CB 4.46Å; L131-I136 HydrophobicContact CD2-CD1 4.1Å; L131-I136 HydrophobicContact CD2-CG2 4.3Å; L131-I136 WeakPolarHBondContact O-CB 3.5Å; L131-I136 PolarHBondContact O-N 2.77Å; H132-I136 PolarHBondContact CD2-O 3.18Å; H132-I136 VanDerWaalsContact CD2-O 3.31Å; N134-I136 VanDerWaalsContact C-N 3.28Å; N134-I136 HydrophobicContact CB-CD1 4.2Å; N134-I136 PolarHBondContact O-N 2.84Å; I136-F159 HydrophobicContact CG2-CD2 4.42Å
137V88.1Confident93.2Very high27 Ų2730.2 Ų30.216%0.16417%0.168CC..  trans-102.2128168.9-171.40000107.4R139 T193 V195 D196V137-R139 HydrophobicContact CB-CG 4.13Å; V137-R139 HydrophobicContact CG1-CG 3.72Å; V137-T193 HydrophobicContact CG2-CG2 3.87Å; V137-V195 HydrophobicContact CG1-CG2 3.72Å; V137-D196 WeakPolarHBondContact CG1-OD2 3.45Å
138H90.7Very high93.2Very high3 Ų330.2 Ų30.21%0.01417%0.168CC..  trans-71.9-46.7-174.8-170.5-63.7000112.3D140 L141 A157 D196H138-D140 PolarHBondContact CE1-O 3.49Å; H138-D140 PolarHBondContact ND1-N 2.74Å; H138-D140 PolarHBondContact O-N 3.38Å; H138-L141 HydrophobicContact CB-CD1 4.26Å; H138-L141 HydrophobicContact CB-CD2 4.25Å; H138-L141 HydrophobicContact CB-CG 3.86Å; H138-L141 VanDerWaalsContact CD2-CD2 3.5Å; H138-L141 WeakPolarHBondContact CD2-CD2 3.38Å; H138-L141 PolarHBondContact ND1-N 2.79Å; H138-A157 PolarHBondContact CE1-O 3.39Å; H138-A157 PolarHBondContact NE2-O 3.36Å; H138-D196 WeakPolarHBondContact CB-OD1 3.33Å; H138-D196 PolarHBondContact N-OD1 3.39Å; H138-D196 PolarHBondContact N-OD2 3.33Å
139R87.6Confident93.1Very high92 Ų9231.6 Ų31.635%0.34718%0.176SC..  trans69-21.5174.5-52.1172.1-179.7-155.2-12.2117.4V137 Y191 D196V137-R139 HydrophobicContact CB-CG 4.13Å; V137-R139 HydrophobicContact CG1-CG 3.72Å; R139-Y191 HydrophobicContact CG-CE2 4.44Å; R139-Y191 PolarHBondContact NH1-OH 3.41Å; R139-D196 PolarHBondContact N-OD1 3.47Å
140D87Confident92.7Very high28 Ų2834.5 Ų34.515%0.1520%0.2CC..  trans-12543.8178.3-16723.8000111.5Y17 H138 K142 N145Y17-D140 PolarHBondContact OH-OD2 3.31Å; H138-D140 PolarHBondContact CE1-O 3.49Å; H138-D140 PolarHBondContact ND1-N 2.74Å; H138-D140 PolarHBondContact O-N 3.38Å; D140-K142 VanDerWaalsContact CG-NZ 3.25Å; D140-K142 PolarHBondContact O-N 2.81Å; D140-K142 IonicContact OD1-NZ 3.19Å; D140-K142 PolarHBondContact OD1-NZ 3.11Å; D140-K142 IonicContact OD2-NZ 2.68Å; D140-K142 PolarHBondContact OD2-NZ 3.34Å; D140-N145 PolarHBondContact O-ND2 3.24Å; D140-N145 PolarHBondContact OD2-ND2 3.25Å
141L93.5Very high92.5Very high3 Ų336.6 Ų36.62%0.01623%0.228CC..  trans-72.7123.8176-78.5173.7000110.3F124 L128 H138 L156 Y180 D196 V200 I203F124-L141 HydrophobicContact CE2-CD1 4.09Å; F124-L141 HydrophobicContact CE2-CD2 3.78Å; F124-L141 HydrophobicContact CZ-CD1 4Å; F124-L141 HydrophobicContact CZ-CD2 3.93Å; F124-L141 HydrophobicContact CZ-CG 4.45Å; L128-L141 HydrophobicContact CD1-CD1 4.06Å; L128-L141 HydrophobicContact CD2-CD1 4.15Å; H138-L141 HydrophobicContact CB-CD1 4.26Å; H138-L141 HydrophobicContact CB-CD2 4.25Å; H138-L141 HydrophobicContact CB-CG 3.86Å; H138-L141 VanDerWaalsContact CD2-CD2 3.5Å; H138-L141 WeakPolarHBondContact CD2-CD2 3.38Å; H138-L141 PolarHBondContact ND1-N 2.79Å; L141-L156 HydrophobicContact CD2-CD2 4.4Å; L141-Y180 VanDerWaalsContact O-CB 3.3Å; L141-Y180 WeakPolarHBondContact O-CB 3.5Å; L141-D196 HydrophobicContact CD1-CB 3.64Å; L141-V200 HydrophobicContact CD1-CG2 4.22Å; L141-I203 HydrophobicContact CB-CD1 4.36Å
142K94.1Very high92.5Very high34 Ų3437.5 Ų37.515%0.14824%0.238CC..SBendtrans-159.9161.7177.160.1-174.3176-130.90108.9D140 E144 N145 I146 Y180D140-K142 VanDerWaalsContact CG-NZ 3.25Å; D140-K142 PolarHBondContact O-N 2.81Å; D140-K142 IonicContact OD1-NZ 3.19Å; D140-K142 PolarHBondContact OD1-NZ 3.11Å; D140-K142 IonicContact OD2-NZ 2.68Å; D140-K142 PolarHBondContact OD2-NZ 3.34Å; K142-E144 WeakPolarHBondContact CB-OE2 3.38Å; K142-E144 HydrophobicContact CD-CB 4.46Å; K142-E144 WeakPolarHBondContact CD-OE2 3.41Å; K142-E144 HydrophobicContact CG-CB 4.28Å; K142-E144 VanDerWaalsContact CG-OE2 3.25Å; K142-E144 WeakPolarHBondContact CG-OE2 3.41Å; K142-E144 PolarHBondContact O-N 2.79Å; K142-E144 VanDerWaalsContact O-N 3.11Å; K142-N145 HydrophobicContact CG-CB 4.21Å; K142-N145 PolarHBondContact O-N 3.2Å; K142-I146 PolarHBondContact O-N 3.25Å; K142-Y180 HydrophobicContact CB-CD2 3.63Å; K142-Y180 HydrophobicContact CB-CE2 3.78Å; K142-Y180 HydrophobicContact CB-CG 4.21Å
143P96.4Very high92.7Very high0 Ų038.6 Ų38.60%025%0.246CC..G310 helixtrans-54-32.4-178.7-28.436.9000114.1L100 R101 N145 I146 Y180 I203L100-P143 HydrophobicContact CB-CB 4.25Å; L100-P143 WeakPolarHBondContact CB-O 3.39Å; L100-P143 HydrophobicContact CG-CB 4.47Å; L100-P143 PolarHBondContact N-O 3.12Å; R101-P143 HydrophobicContact CB-CB 3.99Å; P143-N145 VanDerWaalsContact C-N 3.25Å; P143-N145 PolarHBondContact O-N 2.98Å; P143-I146 PolarHBondContact O-N 2.91Å; P143-Y180 VanDerWaalsContact CD-OH 3.31Å; P143-Y180 WeakPolarHBondContact CD-OH 3.34Å; P143-Y180 HydrophobicContact CG-CE1 4.24Å; P143-I203 HydrophobicContact CG-CG1 4.41Å
144E92.8Very high92.9Very high67 Ų6735.1 Ų35.131%0.31322%0.218SC..G310 helixtrans-69.4-20.7179.1-5879.4-173.300113.3R101 K142R101-E144 HydrophobicContact CB-CG 4.39Å; R101-E144 IonicContact CZ-OE1 3.57Å; R101-E144 IonicContact NE-OE1 2.69Å; R101-E144 PolarHBondContact NE-OE1 3.5Å; R101-E144 IonicContact NH2-OE1 3.45Å; R101-E144 PolarHBondContact NH2-OE1 2.91Å; K142-E144 WeakPolarHBondContact CB-OE2 3.38Å; K142-E144 HydrophobicContact CD-CB 4.46Å; K142-E144 WeakPolarHBondContact CD-OE2 3.41Å; K142-E144 HydrophobicContact CG-CB 4.28Å; K142-E144 VanDerWaalsContact CG-OE2 3.25Å; K142-E144 WeakPolarHBondContact CG-OE2 3.41Å; K142-E144 PolarHBondContact O-N 2.79Å; K142-E144 VanDerWaalsContact O-N 3.11Å
145N93.4Very high93.3Very high11 Ų1134.3 Ų34.36%0.05921%0.212CC..G310 helixtrans-101.74.2178.6-71.1-8.6000113D140 K142 P143 A157 D158D140-N145 PolarHBondContact O-ND2 3.24Å; D140-N145 PolarHBondContact OD2-ND2 3.25Å; K142-N145 HydrophobicContact CG-CB 4.21Å; K142-N145 PolarHBondContact O-N 3.2Å; P143-N145 VanDerWaalsContact C-N 3.25Å; P143-N145 PolarHBondContact O-N 2.98Å; N145-A157 PolarHBondContact O-N 3.05Å; N145-D158 HydrophobicContact CB-CB 4.47Å
146I97.2Very high93.7Very high2 Ų228.7 Ų28.71%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-109.9113.5173.9-60.5167.8000107D99 L100 F124 K142 P143 V154 L156 I203D99-I146 CarbonylContact C-O 3.44Å; D99-I146 WeakPolarHBondContact CA-O 3.47Å; L100-I146 HydrophobicContact CB-CB 4.02Å; L100-I146 HydrophobicContact CB-CG2 4.18Å; L100-I146 WeakPolarHBondContact CB-O 3.36Å; L100-I146 HydrophobicContact CD2-CB 4.28Å; L100-I146 HydrophobicContact CD2-CD1 4.04Å; L100-I146 HydrophobicContact CD2-CG2 4.2Å; L100-I146 PolarHBondContact N-O 2.87Å; F124-I146 HydrophobicContact CD1-CD1 4.08Å; F124-I146 HydrophobicContact CE1-CD1 3.54Å; F124-I146 HydrophobicContact CE2-CD1 4.06Å; F124-I146 HydrophobicContact CE2-CG1 4.49Å; F124-I146 HydrophobicContact CZ-CD1 3.52Å; F124-I146 HydrophobicContact CZ-CG1 4.36Å; K142-I146 PolarHBondContact O-N 3.25Å; P143-I146 PolarHBondContact O-N 2.91Å; I146-V154 HydrophobicContact CG2-CG1 3.61Å; I146-L156 HydrophobicContact CG1-CD2 4.06Å; I146-I203 HydrophobicContact CD1-CD1 3.64Å; I146-I203 HydrophobicContact CD1-CG2 3.94Å
147L97.4Very high93.9Very high32 Ų3228.7 Ų28.717%0.16818%0.175CC..EExtended strand (participates in β ladder)trans-93.2145.6-178-50.7-179.1000110.4V96 Q98 D99 V154 K155 A157V96-L147 HydrophobicContact CB-CB 3.78Å; V96-L147 HydrophobicContact CB-CD1 3.88Å; V96-L147 HydrophobicContact CB-CG 4.41Å; V96-L147 HydrophobicContact CG1-CB 3.67Å; V96-L147 HydrophobicContact CG2-CB 4.07Å; V96-L147 HydrophobicContact CG2-CD1 3.88Å; Q98-L147 WeakPolarHBondContact O-CA 3.43Å; D99-L147 HydrophobicContact CB-CD2 4.07Å; L147-V154 CarbonylContact O-C 3.36Å; L147-V154 WeakPolarHBondContact O-CA 3.38Å; L147-K155 HydrophobicContact CB-CB 4.33Å; L147-K155 PolarHBondContact N-O 3.34Å; L147-K155 PolarHBondContact O-N 3.32Å; L147-A157 HydrophobicContact CD1-CB 3.66Å; L147-A157 HydrophobicContact CG-CB 3.84Å
148V97.4Very high93.8Very high0 Ų029.2 Ų29.20%018%0.177CC..EExtended strand (participates in β ladder)trans-128.1119.4179.1-172.40000109.1Q98 L100 Y103 L120 T153Q98-V148 VanDerWaalsContact CG-O 3.3Å; Q98-V148 WeakPolarHBondContact CG-O 3.48Å; Q98-V148 PolarHBondContact O-N 2.78Å; L100-V148 HydrophobicContact CB-CG2 4.25Å; L100-V148 HydrophobicContact CD1-CG2 4.01Å; Y103-V148 HydrophobicContact CD2-CB 4.26Å; Y103-V148 HydrophobicContact CD2-CG1 3.86Å; Y103-V148 HydrophobicContact CE2-CG1 3.97Å; Y103-V148 HydrophobicContact CG-CB 4.32Å; Y103-V148 HydrophobicContact CG-CG1 4.19Å; Y103-V148 HydrophobicContact CG-CG2 4.37Å; L120-V148 HydrophobicContact CD2-CG1 4.43Å; V148-T153 WeakPolarHBondContact CA-O 3.48Å
149T95.8Very high93.1Very high28 Ų2829.5 Ų29.517%0.17218%0.178CC..  trans-70.3160.8175.7710000110.6V96 G151 G152 T153V96-T149 HydrophobicContact CG1-CG2 3.88Å; T149-G151 PolarHBondContact O-N 3.15Å; T149-G151 VanDerWaalsContact O-N 3.15Å; T149-G151 PolarHBondContact OG1-N 2.9Å; T149-G152 PolarHBondContact O-N 3.48Å; T149-G152 PolarHBondContact OG1-N 3.38Å; T149-T153 PolarHBondContact N-O 2.9Å; T149-T153 VanDerWaalsContact OG1-CB 3.25Å; T149-T153 WeakPolarHBondContact OG1-CB 3.34Å; T149-T153 PolarHBondContact OG1-N 3.18Å; T149-T153 PolarHBondContact OG1-OG1 3.5Å
150S91.4Very high91.8Very high105 Ų10525.7 Ų25.773%0.73417%0.168SC*.THydrogen-bonded Turntrans-55.7-26169.642.70000113.7D97 G152D97-S150 PolarHBondContact OD2-N 2.81Å; D97-S150 PolarHBondContact OD2-OG 3.49Å; S150-G152 VanDerWaalsContact C-N 3.33Å
151G93.2Very high90.4Very high68 Ų6824.5 Ų24.570%0.70116%0.162SC*.THydrogen-bonded Turntrans-84.35.9173.700000115.3T149T149-G151 PolarHBondContact O-N 3.15Å; T149-G151 VanDerWaalsContact O-N 3.15Å; T149-G151 PolarHBondContact OG1-N 2.9Å
152G94.4Very high88.5Confident20 Ų2026.3 Ų26.321%0.20618%0.177CC..SBendtrans78.616.9-18000000114.6Q123 T149 S150Q123-G152 PolarHBondContact NE2-O 3.33Å; T149-G152 PolarHBondContact O-N 3.48Å; T149-G152 PolarHBondContact OG1-N 3.38Å; S150-G152 VanDerWaalsContact C-N 3.33Å
153T97.9Very high86.5Confident49 Ų4932.5 Ų32.530%0.30120%0.2SC..  trans-83.8127175.5-48.10000110.6Q123 V148 T149Q123-T153 VanDerWaalsContact OE1-CA 3.3Å; V148-T153 WeakPolarHBondContact CA-O 3.48Å; T149-T153 PolarHBondContact N-O 2.9Å; T149-T153 VanDerWaalsContact OG1-CB 3.25Å; T149-T153 WeakPolarHBondContact OG1-CB 3.34Å; T149-T153 PolarHBondContact OG1-N 3.18Å; T149-T153 PolarHBondContact OG1-OG1 3.5Å
154V98.3Very high84.3Confident3 Ų333.1 Ų33.12%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-83.2136174.6175.40000110N70 L120 Q123 F124 I146 L147N70-V154 WeakPolarHBondContact CA-O 3.01Å; N70-V154 WeakPolarHBondContact CB-O 3.27Å; N70-V154 PolarHBondContact ND2-O 3.36Å; L120-V154 HydrophobicContact CB-CG2 4.2Å; L120-V154 HydrophobicContact CD2-CG2 3.42Å; L120-V154 VanDerWaalsContact CD2-CG2 3.42Å; L120-V154 HydrophobicContact CG-CG2 4.42Å; Q123-V154 HydrophobicContact CB-CB 3.79Å; Q123-V154 HydrophobicContact CB-CG2 3.95Å; F124-V154 HydrophobicContact CB-CG1 4.35Å; I146-V154 HydrophobicContact CG2-CG1 3.61Å; L147-V154 CarbonylContact O-C 3.36Å; L147-V154 WeakPolarHBondContact O-CA 3.38Å
155K97.9Very high82.1Confident22 Ų2230.4 Ų30.410%0.09619%0.19CC..EExtended strand (participates in β ladder)trans-132.7124.1172.3-75.9178.4170.8-69.50111P69 V71 E94 V96 L147P69-K155 WeakPolarHBondContact O-CG 3.48Å; P69-K155 PolarHBondContact O-NZ 2.92Å; V71-K155 PolarHBondContact O-NZ 2.69Å; E94-K155 WeakPolarHBondContact OE1-CD 3.47Å; E94-K155 WeakPolarHBondContact OE1-CE 3.27Å; E94-K155 IonicContact OE1-NZ 3.72Å; E94-K155 PolarHBondContact OE1-NZ 3.15Å; E94-K155 IonicContact OE2-NZ 2.82Å; V96-K155 HydrophobicContact CG2-CD 3.74Å; L147-K155 HydrophobicContact CB-CB 4.33Å; L147-K155 PolarHBondContact N-O 3.34Å; L147-K155 PolarHBondContact O-N 3.32Å
156L96.4Very high80Confident0 Ų033.9 Ų33.90%022%0.215CC..EExtended strand (participates in β ladder)trans-75.3129.6173-58.9-174.6000110.6N70 V72 F124 L128 L131 L141 I146 F159N70-L156 PolarHBondContact O-N 3.08Å; V72-L156 WeakPolarHBondContact CB-O 3.38Å; V72-L156 WeakPolarHBondContact CG1-O 2.96Å; V72-L156 PolarHBondContact N-O 3.1Å; F124-L156 HydrophobicContact CD2-CD1 4.28Å; F124-L156 HydrophobicContact CD2-CD2 3.52Å; F124-L156 HydrophobicContact CD2-CG 4.41Å; F124-L156 HydrophobicContact CE2-CD1 4.36Å; F124-L156 HydrophobicContact CE2-CD2 3.59Å; L128-L156 HydrophobicContact CB-CD1 4.14Å; L131-L156 HydrophobicContact CD1-CD1 3.92Å; L141-L156 HydrophobicContact CD2-CD2 4.4Å; I146-L156 HydrophobicContact CG1-CD2 4.06Å; L156-F159 WeakPolarHBondContact O-CE1 3.36Å
157A92.1Very high77.4Confident8 Ų841.9 Ų41.97%0.06625%0.246CC..  trans-124.5167.5-179.600000111V72 H138 N145 L147 F159V72-A157 HydrophobicContact CB-CB 4.34Å; V72-A157 HydrophobicContact CG1-CB 4.01Å; H138-A157 PolarHBondContact CE1-O 3.39Å; H138-A157 PolarHBondContact NE2-O 3.36Å; N145-A157 PolarHBondContact O-N 3.05Å; L147-A157 HydrophobicContact CD1-CB 3.66Å; L147-A157 HydrophobicContact CG-CB 3.84Å; A157-F159 PolarHBondContact O-N 3.19Å; A157-F159 VanDerWaalsContact O-N 3.13Å
158D84.1Confident74.8Confident39 Ų3943.9 Ų43.921%0.20926%0.255CS..SBendtrans60.623.6173.4-78.67000116.2K35 N145K35-D158 IonicContact NZ-OD1 3.14Å; K35-D158 PolarHBondContact NZ-OD1 3.21Å; K35-D158 IonicContact NZ-OD2 3.69Å; K35-D158 PolarHBondContact NZ-OD2 3.44Å; N145-D158 HydrophobicContact CB-CB 4.47Å
159F76.1Confident72.1Confident8 Ų847.6 Ų47.64%0.03527%0.273CS..  trans-81.1158.4169.159.4-88.2000112.4L60 L63 V71 V72 L131 I136 L156 A157 L161L60-F159 HydrophobicContact CD2-CD2 3.71Å; L60-F159 HydrophobicContact CD2-CE2 3.23Å; L60-F159 HydrophobicContact CD2-CZ 3.99Å; L63-F159 HydrophobicContact CD1-CD2 4.22Å; L63-F159 HydrophobicContact CD1-CE2 3.45Å; L63-F159 VanDerWaalsContact CD1-CE2 3.45Å; L63-F159 HydrophobicContact CD1-CZ 4.21Å; V71-F159 HydrophobicContact CG1-CD1 4.32Å; V71-F159 HydrophobicContact CG1-CE1 3.29Å; V71-F159 HydrophobicContact CG1-CE2 4.23Å; V71-F159 HydrophobicContact CG1-CZ 3.24Å; V72-F159 HydrophobicContact CG1-CE1 3.96Å; L131-F159 HydrophobicContact CD1-CB 4.11Å; L131-F159 HydrophobicContact CD1-CD1 4.32Å; L131-F159 HydrophobicContact CD1-CG 4.1Å; L131-F159 HydrophobicContact CD2-CD2 3.87Å; L131-F159 HydrophobicContact CD2-CE2 4.01Å; L131-F159 HydrophobicContact CD2-CG 4.16Å; L131-F159 HydrophobicContact CD2-CZ 4.44Å; I136-F159 HydrophobicContact CG2-CD2 4.42Å; L156-F159 WeakPolarHBondContact O-CE1 3.36Å; A157-F159 PolarHBondContact O-N 3.19Å; A157-F159 VanDerWaalsContact O-N 3.13Å; F159-L161 VanDerWaalsContact C-N 3.27Å; F159-L161 PolarHBondContact O-N 2.91Å; F159-L161 VanDerWaalsContact O-N 3.15Å
160G60.8Low69.5Low13 Ų1350.5 Ų50.513%0.13430%0.3CS..SBendtrans73.47.6162.200000116.8E56E56-G160 WeakPolarHBondContact CG-O 3.31Å; E56-G160 VanDerWaalsContact OE2-O 3.1Å
161L58.5Low66.7Low3 Ų352.6 Ų52.62%0.01630%0.302CS..  trans-106.2-6177.8-63.5166.7000113.3K35 E56 L60 L91 F159 R163 I164 Y165K35-L161 HydrophobicContact CD-CD1 4.26Å; E56-L161 VanDerWaalsContact OE2-C 3.28Å; E56-L161 WeakPolarHBondContact OE2-CA 3.4Å; L60-L161 HydrophobicContact CD1-CD2 3.91Å; L60-L161 HydrophobicContact CD1-CG 4.35Å; L91-L161 HydrophobicContact CD1-CD1 4.1Å; L91-L161 HydrophobicContact CD1-CD2 3.75Å; F159-L161 VanDerWaalsContact C-N 3.27Å; F159-L161 PolarHBondContact O-N 2.91Å; F159-L161 VanDerWaalsContact O-N 3.15Å; L161-R163 VanDerWaalsContact C-N 3.27Å; L161-R163 PolarHBondContact O-N 3.48Å; L161-R163 VanDerWaalsContact O-N 3.16Å; L161-I164 HydrophobicContact CD2-CD1 3.84Å; L161-I164 PolarHBondContact O-N 2.74Å; L161-Y165 VanDerWaalsContact C-CD2 3.45Å; L161-Y165 HydrophobicContact CB-CD2 3.85Å; L161-Y165 HydrophobicContact CB-CE2 3.14Å; L161-Y165 HydrophobicContact CD1-CE2 4.21Å; L161-Y165 HydrophobicContact CG-CE2 4.23Å; L161-Y165 WeakPolarHBondContact O-CD2 3.46Å; L161-Y165 WeakPolarHBondContact O-CE2 3.47Å; L161-Y165 PolarHBondContact O-N 3.37Å
162A53.1Low63.8Low41 Ų4153.5 Ų53.534%0.33929%0.294SS..Hα-helixtrans-61.1-25.8-172.200000114.6
163R52Low60.9Low163 Ų16358.9 Ų58.962%0.61533%0.326SS*.Hα-helixtrans-93-20.8177.6-45.3171.7143.2166.5-4.9113.2E56 L161 Y165 S166E56-R163 VanDerWaalsContact OE1-CA 3.27Å; E56-R163 WeakPolarHBondContact OE1-CA 3.27Å; E56-R163 WeakPolarHBondContact OE1-CB 3.48Å; E56-R163 PolarHBondContact OE1-N 2.84Å; L161-R163 VanDerWaalsContact C-N 3.27Å; L161-R163 PolarHBondContact O-N 3.48Å; L161-R163 VanDerWaalsContact O-N 3.16Å; R163-Y165 PolarHBondContact O-N 3.38Å; R163-S166 PolarHBondContact O-OG 2.97Å
164I50.3Low58.3Low14 Ų1459.4 Ų59.47%0.07233%0.329CS..Hα-helixtrans-58.5-40.1161.2-77.3161.1000110V37 T53 E56 L161V37-I164 HydrophobicContact CG1-CG2 3.9Å; T53-I164 VanDerWaalsContact CA-CG1 3.41Å; T53-I164 HydrophobicContact CG2-CD1 3.69Å; T53-I164 HydrophobicContact CG2-CG1 3.86Å; T53-I164 HydrophobicContact CG2-CG2 4.48Å; E56-I164 HydrophobicContact CB-CD1 3.56Å; E56-I164 HydrophobicContact CB-CG1 4.06Å; E56-I164 HydrophobicContact CG-CD1 4.27Å; E56-I164 HydrophobicContact CG-CG1 4.27Å; E56-I164 PolarHBondContact OE1-N 3.17Å; E56-I164 VanDerWaalsContact OE2-CB 3.23Å; E56-I164 WeakPolarHBondContact OE2-CB 3.45Å; E56-I164 WeakPolarHBondContact OE2-CD1 3.4Å; E56-I164 WeakPolarHBondContact OE2-CG1 3.39Å; E56-I164 PolarHBondContact OE2-N 2.98Å; L161-I164 HydrophobicContact CD2-CD1 3.84Å; L161-I164 PolarHBondContact O-N 2.74Å
165Y47.5Very low55.9Low10 Ų1066 Ų664%0.03937%0.368CS..Hα-helixtrans-82.9-16.6-170.3-61.5-52.7000115.7Y17 V37 L161 R163 Y167 Q168 M169Y17-Y165 HydrophobicContact CD1-CD1 4.2Å; Y17-Y165 AromaticContact CD1-CD2 3.37Å; Y17-Y165 HydrophobicContact CD1-CD2 3.37Å; Y17-Y165 HydrophobicContact CD1-CE1 4.42Å; Y17-Y165 AromaticContact CD1-CE2 3.59Å; Y17-Y165 HydrophobicContact CD1-CE2 3.59Å; Y17-Y165 AromaticContact CD1-CG 3.73Å; Y17-Y165 HydrophobicContact CD1-CG 3.73Å; Y17-Y165 HydrophobicContact CD2-CE2 4.45Å; Y17-Y165 AromaticContact CE1-CD2 3.82Å; Y17-Y165 HydrophobicContact CE1-CD2 3.82Å; Y17-Y165 HydrophobicContact CE1-CE2 4.3Å; Y17-Y165 HydrophobicContact CE1-CG 4.34Å; Y17-Y165 AromaticContact CG-CD2 3.98Å; Y17-Y165 HydrophobicContact CG-CD2 3.98Å; Y17-Y165 AromaticContact CG-CE2 3.68Å; Y17-Y165 HydrophobicContact CG-CE2 3.68Å; V37-Y165 HydrophobicContact CB-CE1 4.5Å; V37-Y165 HydrophobicContact CG1-CE1 3.68Å; V37-Y165 HydrophobicContact CG2-CE1 4.15Å; V37-Y165 WeakPolarHBondContact CG2-OH 3.39Å; L161-Y165 VanDerWaalsContact C-CD2 3.45Å; L161-Y165 HydrophobicContact CB-CD2 3.85Å; L161-Y165 HydrophobicContact CB-CE2 3.14Å; L161-Y165 HydrophobicContact CD1-CE2 4.21Å; L161-Y165 HydrophobicContact CG-CE2 4.23Å; L161-Y165 WeakPolarHBondContact O-CD2 3.46Å; L161-Y165 WeakPolarHBondContact O-CE2 3.47Å; L161-Y165 PolarHBondContact O-N 3.37Å; R163-Y165 PolarHBondContact O-N 3.38Å; Y165-Y167 PolarHBondContact O-N 2.95Å; Y165-Y167 VanDerWaalsContact O-N 3.11Å; Y165-Q168 PolarHBondContact O-N 2.95Å; Y165-Q168 VanDerWaalsContact O-N 3.15Å; Y165-M169 WeakPolarHBondContact O-CG 3.3Å; Y165-M169 PolarHBondContact O-N 3.35Å; Y165-M169 VanDerWaalsContact O-N 3.08Å
166S48.1Very low54.3Low84 Ų8467.4 Ų67.459%0.58738%0.379SS*.THydrogen-bonded Turntrans-61.8-22.6-179.767.10000113.6R163R163-S166 PolarHBondContact O-OG 2.97Å
167Y42.7Very low53.5Low170 Ų17070.2 Ų70.267%0.66740%0.396SS*.THydrogen-bonded Turntrans-76.4-29.4178.7-169.8-83.8000113.3P40 Y165P40-Y167 HydrophobicContact CB-CD1 4.31Å; P40-Y167 HydrophobicContact CB-CE1 3.81Å; P40-Y167 HydrophobicContact CG-CD1 3.17Å; P40-Y167 HydrophobicContact CG-CE1 3.13Å; P40-Y167 HydrophobicContact CG-CG 4.19Å; Y165-Y167 PolarHBondContact O-N 2.95Å; Y165-Y167 VanDerWaalsContact O-N 3.11Å
168Q42.8Very low53.4Low73 Ų7370.8 Ų70.834%0.34140%0.398SS..THydrogen-bonded Turntrans-102.5-25.3-177.8-74.7-179.1-14.900113.7R38 Y165 A170 L171R38-Q168 PolarHBondContact O-NE2 3.25Å; R38-Q168 PolarHBondContact O-OE1 2.98Å; R38-Q168 VanDerWaalsContact O-OE1 3.07Å; Y165-Q168 PolarHBondContact O-N 2.95Å; Y165-Q168 VanDerWaalsContact O-N 3.15Å; Q168-A170 PolarHBondContact O-N 3.18Å; Q168-L171 PolarHBondContact O-N 3.32Å
169M40.3Very low54Low78 Ų7872.8 Ų72.838%0.38440%0.402SS..G310 helixtrans-68.2-12.7-179.6-77-17574.800114.6Y17 Y165 L171Y17-M169 HydrophobicContact CE1-SD 4.27Å; Y165-M169 WeakPolarHBondContact O-CG 3.3Å; Y165-M169 PolarHBondContact O-N 3.35Å; Y165-M169 VanDerWaalsContact O-N 3.08Å; M169-L171 PolarHBondContact O-N 3.46Å; M169-L171 VanDerWaalsContact O-N 3.08Å
170A41.2Very low55Low89 Ų8972.8 Ų72.874%0.73640%0.402SS*.G310 helixtrans-65.2-7.2173.300000113.4Q168Q168-A170 PolarHBondContact O-N 3.18Å
171L32.9Very low56.6Low149 Ų14975.5 Ų75.578%0.7841%0.408SS*.G310 helixtrans-119.3-1.7-168-68.7166.1000115.6Q168 M169Q168-L171 PolarHBondContact O-N 3.32Å; M169-L171 PolarHBondContact O-N 3.46Å; M169-L171 VanDerWaalsContact O-N 3.08Å
172T33.2Very low58.4Low87 Ų8775.4 Ų75.453%0.53441%0.408SS..  trans-135132.1178.847.70000113.2V174T172-V174 PolarHBondContact O-N 3.34Å
173P33.8Very low60.5Low134 Ų13473.5 Ų73.587%0.8739%0.392SS*.  trans-76.677.7172.131.3-31000109.1
174V41.3Very low62.5Low60 Ų6066.2 Ų66.236%0.36437%0.365SS..  trans-80120.8166-177.50000106.6A16 T172 V176A16-V174 HydrophobicContact CB-CG1 3.95Å; T172-V174 PolarHBondContact O-N 3.34Å; V174-V176 WeakPolarHBondContact O-CG2 3.25Å; V174-V176 PolarHBondContact O-N 2.92Å
175V48.7Very low64.5Low140 Ų14067.8 Ų67.885%0.84838%0.375SS*.  trans-60.3102.4168.7178.40000107
176V65.1Low66.7Low53 Ų5367.6 Ų67.632%0.32138%0.375SS..  trans-87.9120178.5-170.90000108.5V174 L178 R181V174-V176 WeakPolarHBondContact O-CG2 3.25Å; V174-V176 PolarHBondContact O-N 2.92Å; V176-L178 PolarHBondContact O-N 2.92Å; V176-L178 VanDerWaalsContact O-N 3.16Å; V176-R181 VanDerWaalsContact CB-NH2 3.27Å
177T78.1Confident68.8Low59 Ų5963.8 Ų63.836%0.36235%0.348SS..  trans-55.2118.6178.2-50.50000111W179 Y180T177-W179 HydrophobicContact CG2-CB 3.95Å; T177-W179 HydrophobicContact CG2-CD2 3.68Å; T177-W179 HydrophobicContact CG2-CE3 3.8Å; T177-W179 HydrophobicContact CG2-CG 3.74Å; T177-Y180 HydrophobicContact CG2-CD2 4.32Å; T177-Y180 HydrophobicContact CG2-CE2 4.23Å
178L90.9Very high70.9Confident19 Ų1963 Ų6310%0.09935%0.35CS..  trans-81.5-18.3-179.7-61.1179.3000113.2V176 Y180 R181 L186 S218 Q222V176-L178 PolarHBondContact O-N 2.92Å; V176-L178 VanDerWaalsContact O-N 3.16Å; L178-Y180 PolarHBondContact O-N 3.18Å; L178-R181 WeakPolarHBondContact O-CB 3.48Å; L178-R181 PolarHBondContact O-N 2.96Å; L178-L186 HydrophobicContact CD2-CD2 4.37Å; L178-S218 VanDerWaalsContact CD1-C 3.47Å; L178-Q222 HydrophobicContact CB-CG 4.4Å
179W96.4Very high72.9Confident81 Ų8161 Ų6131%0.30735%0.345SS..THydrogen-bonded Turntrans-61.6-24.2-159.7-57-15.1000115.3T177 P212 F214 C215 G216 Q222T177-W179 HydrophobicContact CG2-CB 3.95Å; T177-W179 HydrophobicContact CG2-CD2 3.68Å; T177-W179 HydrophobicContact CG2-CE3 3.8Å; T177-W179 HydrophobicContact CG2-CG 3.74Å; W179-P212 HydrophobicContact CD2-CB 4.47Å; W179-P212 HydrophobicContact CD2-CG 4.47Å; W179-P212 HydrophobicContact CE3-CB 3.91Å; W179-P212 HydrophobicContact CE3-CG 3.53Å; W179-P212 HydrophobicContact CZ3-CG 3.7Å; W179-F214 VanDerWaalsContact CA-O 3.25Å; W179-F214 WeakPolarHBondContact CA-O 3.38Å; W179-F214 WeakPolarHBondContact CB-O 3.22Å; W179-C215 HydrophobicContact CD2-CB 4.49Å; W179-C215 HydrophobicContact CZ2-CB 4.47Å; W179-G216 PolarHBondContact NE1-O 3.37Å; W179-Q222 PolarHBondContact O-NE2 3.04Å
180Y96.9Very high74.9Confident9 Ų963.6 Ų63.64%0.03537%0.365CS..THydrogen-bonded Turntrans-109.92-178.8-50.6-81.5000113.3L141 K142 P143 T177 L178 S199 C202 I203 E206L141-Y180 VanDerWaalsContact O-CB 3.3Å; L141-Y180 WeakPolarHBondContact O-CB 3.5Å; K142-Y180 HydrophobicContact CB-CD2 3.63Å; K142-Y180 HydrophobicContact CB-CE2 3.78Å; K142-Y180 HydrophobicContact CB-CG 4.21Å; P143-Y180 VanDerWaalsContact CD-OH 3.31Å; P143-Y180 WeakPolarHBondContact CD-OH 3.34Å; P143-Y180 HydrophobicContact CG-CE1 4.24Å; T177-Y180 HydrophobicContact CG2-CD2 4.32Å; T177-Y180 HydrophobicContact CG2-CE2 4.23Å; L178-Y180 PolarHBondContact O-N 3.18Å; Y180-S199 PolarHBondContact O-OG 2.86Å; Y180-C202 HydrophobicContact CD1-CB 3.69Å; Y180-C202 HydrophobicContact CE1-CB 4.31Å; Y180-I203 HydrophobicContact CD1-CD1 4.43Å; Y180-I203 HydrophobicContact CD1-CG1 3.77Å; Y180-I203 HydrophobicContact CE1-CG1 3.83Å; Y180-E206 WeakPolarHBondContact CE1-OE2 3.48Å; Y180-E206 VanDerWaalsContact CZ-OE2 3.25Å; Y180-E206 PolarHBondContact OH-OE1 3.41Å; Y180-E206 PolarHBondContact OH-OE2 3.38Å
181R95.2Very high76.9Confident69 Ų6964.6 Ų64.626%0.2635%0.351SS..  trans-73.7136.5-178.5-68.8-177.1176.7-175.6-4.9111V176 L178 V185 L186 W198V176-R181 VanDerWaalsContact CB-NH2 3.27Å; L178-R181 WeakPolarHBondContact O-CB 3.48Å; L178-R181 PolarHBondContact O-N 2.96Å; R181-V185 HydrophobicContact CB-CG1 4.46Å; R181-V185 HydrophobicContact CG-CG1 4.45Å; R181-L186 HydrophobicContact CB-CD2 3.86Å; R181-L186 HydrophobicContact CB-CG 4.06Å; R181-W198 PolarHBondContact O-NE1 2.7Å; R181-W198 VanDerWaalsContact O-NE1 3.16Å
182A96.3Very high79.5Confident1 Ų160 Ų601%0.00833%0.334CS..  trans-67.8152.5175.100000112.3E184 V185 L186 V195 W198A182-E184 VanDerWaalsContact C-N 3.27Å; A182-E184 HydrophobicContact CB-CG 4.35Å; A182-E184 WeakPolarHBondContact CB-OE2 3.42Å; A182-E184 PolarHBondContact O-N 3.4Å; A182-V185 HydrophobicContact CB-CG2 4.3Å; A182-V185 WeakPolarHBondContact O-CB 3.3Å; A182-V185 PolarHBondContact O-N 3.36Å; A182-L186 PolarHBondContact O-N 3.06Å; A182-L186 VanDerWaalsContact O-N 3.11Å; A182-V195 HydrophobicContact CB-CB 4.03Å; A182-V195 HydrophobicContact CB-CG1 4.1Å; A182-W198 VanDerWaalsContact CA-CD1 3.45Å; A182-W198 HydrophobicContact CB-CB 3.61Å; A182-W198 HydrophobicContact CB-CD2 4.43Å; A182-W198 HydrophobicContact CB-CG 3.75Å
183P97.4Very high82.2Confident1 Ų158.4 Ų58.41%0.00632%0.324CS..Hα-helixtrans-54.6-40.8179.9-25.432.5000113.3V185 L186 L187 W198 L223 I226 F278P183-V185 VanDerWaalsContact C-N 3.27Å; P183-V185 PolarHBondContact O-N 3.13Å; P183-L186 PolarHBondContact O-N 3.05Å; P183-L187 WeakPolarHBondContact O-CB 3.38Å; P183-L187 VanDerWaalsContact O-CG 3.25Å; P183-L187 WeakPolarHBondContact O-CG 3.21Å; P183-L187 PolarHBondContact O-N 2.71Å; P183-W198 VanDerWaalsContact CD-CD2 3.42Å; P183-W198 VanDerWaalsContact CD-CE3 3.42Å; P183-W198 HydrophobicContact CG-CD2 4.25Å; P183-W198 HydrophobicContact CG-CE3 3.92Å; P183-W198 HydrophobicContact CG-CH2 3.65Å; P183-W198 HydrophobicContact CG-CZ2 3.98Å; P183-W198 HydrophobicContact CG-CZ3 3.58Å; P183-L223 HydrophobicContact CB-CD2 4Å; P183-I226 HydrophobicContact CG-CD1 4.45Å; P183-F278 HydrophobicContact CB-CD2 3.55Å; P183-F278 HydrophobicContact CB-CE2 3.41Å; P183-F278 VanDerWaalsContact CB-CE2 3.41Å; P183-F278 HydrophobicContact CB-CZ 4.34Å; P183-F278 HydrophobicContact CG-CD2 3.74Å; P183-F278 HydrophobicContact CG-CE2 4.13Å
184E93.8Very high85.1Confident11 Ų1153.4 Ų53.45%0.05129%0.292CS..Hα-helixtrans-64.6-29.2177.963.2-88.9-152.100113.2A182 Q188 S189 V195 R283A182-E184 VanDerWaalsContact C-N 3.27Å; A182-E184 HydrophobicContact CB-CG 4.35Å; A182-E184 WeakPolarHBondContact CB-OE2 3.42Å; A182-E184 PolarHBondContact O-N 3.4Å; E184-Q188 PolarHBondContact O-N 2.87Å; E184-S189 PolarHBondContact O-N 3.38Å; E184-V195 HydrophobicContact CG-CG1 3.95Å; E184-V195 WeakPolarHBondContact OE1-CG1 3.36Å; E184-R283 IonicContact OE1-CZ 2.74Å; E184-R283 IonicContact OE1-NH1 3.58Å; E184-R283 PolarHBondContact OE1-NH1 3.26Å; E184-R283 IonicContact OE1-NH2 2.71Å; E184-R283 PolarHBondContact OE1-NH2 3.17Å; E184-R283 IonicContact OE2-CZ 3.74Å; E184-R283 IonicContact OE2-NH1 3.07Å; E184-R283 PolarHBondContact OE2-NH1 3.08Å; E184-R283 IonicContact OE2-NH2 3.51Å; E184-R283 PolarHBondContact OE2-NH2 3.37Å
185V91.7Very high87.7Confident46 Ų4650.9 Ų50.928%0.27928%0.276SS..Hα-helixtrans-74.4-41.3174.4178.30000110.3R181 A182 P183 L187 Q188 Y191 V195R181-V185 HydrophobicContact CB-CG1 4.46Å; R181-V185 HydrophobicContact CG-CG1 4.45Å; A182-V185 HydrophobicContact CB-CG2 4.3Å; A182-V185 WeakPolarHBondContact O-CB 3.3Å; A182-V185 PolarHBondContact O-N 3.36Å; P183-V185 VanDerWaalsContact C-N 3.27Å; P183-V185 PolarHBondContact O-N 3.13Å; V185-L187 VanDerWaalsContact C-N 3.29Å; V185-L187 PolarHBondContact O-N 3.35Å; V185-Q188 PolarHBondContact O-N 3.35Å; V185-Q188 VanDerWaalsContact O-N 3.15Å; V185-Y191 HydrophobicContact CG2-CG 4.47Å; V185-V195 HydrophobicContact CG2-CB 4.24Å; V185-V195 HydrophobicContact CG2-CG1 3.68Å
186L93.4Very high89.9Confident7 Ų744.2 Ų44.24%0.03724%0.236CC..Hα-helixtrans-66-33.4176.4-61.8169.7000112L178 R181 A182 P183 Q188 E219 Q222 L223 I226L178-L186 HydrophobicContact CD2-CD2 4.37Å; R181-L186 HydrophobicContact CB-CD2 3.86Å; R181-L186 HydrophobicContact CB-CG 4.06Å; A182-L186 PolarHBondContact O-N 3.06Å; A182-L186 VanDerWaalsContact O-N 3.11Å; P183-L186 PolarHBondContact O-N 3.05Å; L186-Q188 VanDerWaalsContact C-N 3.26Å; L186-E219 HydrophobicContact CB-CB 4.43Å; L186-E219 HydrophobicContact CD2-CB 4.31Å; L186-E219 HydrophobicContact CD2-CG 4.05Å; L186-Q222 HydrophobicContact CD1-CB 4.01Å; L186-Q222 HydrophobicContact CD1-CG 3.43Å; L186-Q222 VanDerWaalsContact CD1-CG 3.43Å; L186-Q222 HydrophobicContact CD2-CB 4.37Å; L186-Q222 HydrophobicContact CD2-CG 4.12Å; L186-Q222 HydrophobicContact CG-CG 4.43Å; L186-L223 HydrophobicContact CB-CD1 4.21Å; L186-L223 HydrophobicContact CB-CD2 4.27Å; L186-L223 HydrophobicContact CB-CG 4.08Å; L186-L223 HydrophobicContact CD1-CD2 4.09Å; L186-L223 HydrophobicContact CD1-CG 4.02Å; L186-I226 HydrophobicContact CD1-CD1 3.83Å
187L91.8Very high91.5Very high3 Ų341.7 Ų41.72%0.01622%0.221CC..THydrogen-bonded Turntrans-831175.2-67.6171.1000113.5P183 V185 S189 L223 W238 P239 V242 L244 F278P183-L187 WeakPolarHBondContact O-CB 3.38Å; P183-L187 VanDerWaalsContact O-CG 3.25Å; P183-L187 WeakPolarHBondContact O-CG 3.21Å; P183-L187 PolarHBondContact O-N 2.71Å; V185-L187 VanDerWaalsContact C-N 3.29Å; V185-L187 PolarHBondContact O-N 3.35Å; L187-S189 PolarHBondContact O-N 3.12Å; L187-L223 HydrophobicContact CD2-CD1 3.68Å; L187-L223 HydrophobicContact CG-CD1 4.07Å; L187-L223 HydrophobicContact CG-CD2 4.48Å; L187-W238 HydrophobicContact CD1-CZ2 4.32Å; L187-W238 HydrophobicContact CD2-CH2 4.46Å; L187-W238 HydrophobicContact CD2-CZ2 3.93Å; L187-P239 HydrophobicContact CD1-CG 3.94Å; L187-V242 HydrophobicContact CB-CB 4.41Å; L187-V242 HydrophobicContact CB-CG1 4.04Å; L187-V242 WeakPolarHBondContact O-CG1 3.21Å; L187-L244 HydrophobicContact CD2-CB 4Å; L187-L244 HydrophobicContact CD2-CD2 4.22Å; L187-F278 HydrophobicContact CD1-CE2 4.3Å; L187-F278 HydrophobicContact CD1-CZ 3.82Å
188Q87.8Confident92.5Very high153 Ų15338.9 Ų38.972%0.71520%0.204SC*.THydrogen-bonded Turntrans56.531.9-179-53.9179-0.100113.6E184 V185 L186E184-Q188 PolarHBondContact O-N 2.87Å; V185-Q188 PolarHBondContact O-N 3.35Å; V185-Q188 VanDerWaalsContact O-N 3.15Å; L186-Q188 VanDerWaalsContact C-N 3.26Å
189S84.9Confident92.9Very high33 Ų3338.3 Ų38.323%0.23120%0.201CC..  trans-85.7170.8177-170.90000111.6E184 L187E184-S189 PolarHBondContact O-N 3.38Å; L187-S189 PolarHBondContact O-N 3.12Å
190T81.6Confident93Very high131 Ų13134.4 Ų34.480%0.80419%0.186SC*.  trans-62.1140.8170.855.50000110.6
191Y82.9Confident93.1Very high111 Ų11134 Ų3444%0.43519%0.185SC..  trans-141157.2-175.567.8-95.3000113.1R139 V185 V195R139-Y191 HydrophobicContact CG-CE2 4.44Å; R139-Y191 PolarHBondContact NH1-OH 3.41Å; V185-Y191 HydrophobicContact CG2-CG 4.47Å; Y191-V195 HydrophobicContact CD2-CG1 4.1Å; Y191-V195 HydrophobicContact CD2-CG2 4.41Å; Y191-V195 HydrophobicContact CG-CG1 4.12Å
192A87.8Confident93.3Very high53 Ų5330.7 Ų30.744%0.43817%0.172SC..  trans-144.2-156.3-179.300000110.3P194 V195A192-P194 VanDerWaalsContact C-N 3.29Å; A192-P194 WeakPolarHBondContact O-CD 3.23Å; A192-P194 VanDerWaalsContact O-N 3.17Å; A192-V195 VanDerWaalsContact O-CG2 3.27Å; A192-V195 WeakPolarHBondContact O-CG2 3.28Å; A192-V195 PolarHBondContact O-N 3.47Å
193T89.7Confident93.4Very high53 Ų5330.7 Ų30.733%0.32517%0.172SC..THydrogen-bonded Turntrans-51.2-30.817951.80000116.1H132 V137 V195 D196H132-T193 HydrophobicContact CB-CG2 4.19Å; H132-T193 PolarHBondContact CE1-O 3.09Å; V137-T193 HydrophobicContact CG2-CG2 3.87Å; T193-V195 PolarHBondContact O-N 2.99Å; T193-V195 VanDerWaalsContact O-N 3.09Å; T193-D196 PolarHBondContact O-N 2.75Å
194P95.6Very high93.4Very high29 Ų2930.7 Ų30.719%0.18817%0.172CC..Hα-helixtrans-61.1-20.9-179.7-26.937.6000114.9A192 D196 M197 W198 P280 R283A192-P194 VanDerWaalsContact C-N 3.29Å; A192-P194 WeakPolarHBondContact O-CD 3.23Å; A192-P194 VanDerWaalsContact O-N 3.17Å; P194-D196 PolarHBondContact O-N 3.31Å; P194-M197 WeakPolarHBondContact O-CB 3.37Å; P194-M197 PolarHBondContact O-N 3.38Å; P194-M197 VanDerWaalsContact O-N 3.15Å; P194-W198 PolarHBondContact O-N 2.9Å; P194-P280 HydrophobicContact CB-CB 3.86Å; P194-P280 HydrophobicContact CG-CB 4.23Å; P194-R283 VanDerWaalsContact C-NH1 3.29Å; P194-R283 WeakPolarHBondContact O-CD 3.29Å; P194-R283 PolarHBondContact O-NH1 3.08Å
195V94.8Very high93.7Very high6 Ų630.1 Ų30.14%0.03617%0.169CC..Hα-helixtrans-60.9-35.6177.7-59.50000112.1V137 A182 E184 V185 Y191 A192 T193 M197 W198 S199V137-V195 HydrophobicContact CG1-CG2 3.72Å; A182-V195 HydrophobicContact CB-CB 4.03Å; A182-V195 HydrophobicContact CB-CG1 4.1Å; E184-V195 HydrophobicContact CG-CG1 3.95Å; E184-V195 WeakPolarHBondContact OE1-CG1 3.36Å; V185-V195 HydrophobicContact CG2-CB 4.24Å; V185-V195 HydrophobicContact CG2-CG1 3.68Å; Y191-V195 HydrophobicContact CD2-CG1 4.1Å; Y191-V195 HydrophobicContact CD2-CG2 4.41Å; Y191-V195 HydrophobicContact CG-CG1 4.12Å; A192-V195 VanDerWaalsContact O-CG2 3.27Å; A192-V195 WeakPolarHBondContact O-CG2 3.28Å; A192-V195 PolarHBondContact O-N 3.47Å; T193-V195 PolarHBondContact O-N 2.99Å; T193-V195 VanDerWaalsContact O-N 3.09Å; V195-M197 VanDerWaalsContact C-N 3.31Å; V195-W198 WeakPolarHBondContact O-CB 3.47Å; V195-W198 PolarHBondContact O-N 3.21Å; V195-S199 PolarHBondContact O-N 2.94Å; V195-S199 PolarHBondContact O-OG 3.28Å
196D96.6Very high94Very high0 Ų028 Ų280%016%0.156CC..Hα-helixtrans-68.6-36.7179.4-68.2-23.4000110.4L128 H132 V137 H138 R139 L141 T193 P194 W198 S199 V200L128-D196 HydrophobicContact CD1-CB 3.97Å; L128-D196 HydrophobicContact CD2-CB 3.99Å; H132-D196 IonicContact CD2-OD2 3.72Å; H132-D196 IonicContact CE1-OD2 2.92Å; H132-D196 IonicContact NE2-OD2 3.63Å; H132-D196 PolarHBondContact NE2-OD2 2.85Å; V137-D196 WeakPolarHBondContact CG1-OD2 3.45Å; H138-D196 WeakPolarHBondContact CB-OD1 3.33Å; H138-D196 PolarHBondContact N-OD1 3.39Å; H138-D196 PolarHBondContact N-OD2 3.33Å; R139-D196 PolarHBondContact N-OD1 3.47Å; L141-D196 HydrophobicContact CD1-CB 3.64Å; T193-D196 PolarHBondContact O-N 2.75Å; P194-D196 PolarHBondContact O-N 3.31Å; D196-W198 VanDerWaalsContact C-N 3.27Å; D196-W198 PolarHBondContact O-N 3.47Å; D196-S199 WeakPolarHBondContact O-CB 3.44Å; D196-S199 PolarHBondContact O-N 3.11Å; D196-S199 VanDerWaalsContact O-N 3.13Å; D196-V200 VanDerWaalsContact O-CG2 3.29Å; D196-V200 WeakPolarHBondContact O-CG2 3.34Å; D196-V200 PolarHBondContact O-N 2.99Å
197M98.7Very high94.2Very high1 Ų127.8 Ų27.81%0.00516%0.155CC..Hα-helixtrans-66.1-30178.3-67.6-58-55.300112.7L125 L128 P194 V195 V200 G201 M275 R283 I284 A286 A289L125-M197 HydrophobicContact CD2-CE 3.79Å; L125-M197 HydrophobicContact CD2-SD 4.13Å; L128-M197 HydrophobicContact CD2-SD 3.78Å; P194-M197 WeakPolarHBondContact O-CB 3.37Å; P194-M197 PolarHBondContact O-N 3.38Å; P194-M197 VanDerWaalsContact O-N 3.15Å; V195-M197 VanDerWaalsContact C-N 3.31Å; M197-V200 HydrophobicContact SD-CG2 4.42Å; M197-G201 PolarHBondContact O-N 2.99Å; M197-G201 VanDerWaalsContact O-N 3.12Å; M197-M275 HydrophobicContact CE-CE 4.29Å; M197-M275 HydrophobicContact CE-CG 4.11Å; M197-R283 HydrophobicContact CB-CG 4.35Å; M197-I284 HydrophobicContact CE-CG2 4.06Å; M197-I284 VanDerWaalsContact CG-O 3.3Å; M197-I284 WeakPolarHBondContact CG-O 3.22Å; M197-A286 HydrophobicContact SD-CB 3.79Å; M197-A286 PolarHBondContact SD-N 3.07Å; M197-A286 VanDerWaalsContact SD-N 3.42Å; M197-A289 HydrophobicContact CE-CB 4.06Å
198W98.8Very high94.5Very high0 Ų028.3 Ų28.30%016%0.157CC..Hα-helixtrans-63.7-49.7169.7-179.4-85.9000111.4R181 A182 P183 P194 V195 D196 V200 G201 C202 F214 I226 I230 L276R181-W198 PolarHBondContact O-NE1 2.7Å; R181-W198 VanDerWaalsContact O-NE1 3.16Å; A182-W198 VanDerWaalsContact CA-CD1 3.45Å; A182-W198 HydrophobicContact CB-CB 3.61Å; A182-W198 HydrophobicContact CB-CD2 4.43Å; A182-W198 HydrophobicContact CB-CG 3.75Å; P183-W198 VanDerWaalsContact CD-CD2 3.42Å; P183-W198 VanDerWaalsContact CD-CE3 3.42Å; P183-W198 HydrophobicContact CG-CD2 4.25Å; P183-W198 HydrophobicContact CG-CE3 3.92Å; P183-W198 HydrophobicContact CG-CH2 3.65Å; P183-W198 HydrophobicContact CG-CZ2 3.98Å; P183-W198 HydrophobicContact CG-CZ3 3.58Å; P194-W198 PolarHBondContact O-N 2.9Å; V195-W198 WeakPolarHBondContact O-CB 3.47Å; V195-W198 PolarHBondContact O-N 3.21Å; D196-W198 VanDerWaalsContact C-N 3.27Å; D196-W198 PolarHBondContact O-N 3.47Å; W198-V200 VanDerWaalsContact C-N 3.26Å; W198-V200 PolarHBondContact O-N 3.18Å; W198-G201 PolarHBondContact O-N 3.02Å; W198-C202 PolarHBondContact O-N 3.16Å; W198-F214 HydrophobicContact CZ2-CD2 4.45Å; W198-F214 AromaticContact CZ2-CE2 3.93Å; W198-F214 HydrophobicContact CZ2-CE2 3.93Å; W198-I226 HydrophobicContact CH2-CD1 4.33Å; W198-I226 HydrophobicContact CH2-CG1 4.39Å; W198-I226 HydrophobicContact CH2-CG2 3.41Å; W198-I226 VanDerWaalsContact CH2-CG2 3.41Å; W198-I226 HydrophobicContact CZ2-CB 4.31Å; W198-I226 HydrophobicContact CZ2-CD1 3.56Å; W198-I226 HydrophobicContact CZ2-CG1 3.72Å; W198-I226 HydrophobicContact CZ2-CG2 3.66Å; W198-I230 HydrophobicContact CH2-CD1 4.07Å; W198-I230 HydrophobicContact CZ3-CD1 4.39Å; W198-L276 HydrophobicContact CD2-CD2 3.98Å; W198-L276 HydrophobicContact CE3-CD2 4.13Å; W198-L276 HydrophobicContact CH2-CB 4.37Å; W198-L276 HydrophobicContact CH2-CD2 4.22Å; W198-L276 HydrophobicContact CZ2-CD2 4.08Å; W198-L276 HydrophobicContact CZ3-CB 4.18Å; W198-L276 HydrophobicContact CZ3-CD2 4.28Å; W198-L276 VanDerWaalsContact CZ3-O 3.22Å; W198-L276 WeakPolarHBondContact CZ3-O 3.3Å
199S98.5Very high94.9Very high6 Ų625 Ų254%0.04214%0.138CC..Hα-helixtrans-59.9-38.5178.3-52.10000111.5Y180 V195 D196 G201 C202 I203Y180-S199 PolarHBondContact O-OG 2.86Å; V195-S199 PolarHBondContact O-N 2.94Å; V195-S199 PolarHBondContact O-OG 3.28Å; D196-S199 WeakPolarHBondContact O-CB 3.44Å; D196-S199 PolarHBondContact O-N 3.11Å; D196-S199 VanDerWaalsContact O-N 3.13Å; S199-G201 PolarHBondContact O-N 3.04Å; S199-C202 PolarHBondContact O-N 3.35Å; S199-I203 WeakPolarHBondContact O-CD1 3.4Å; S199-I203 VanDerWaalsContact O-CG1 3.23Å; S199-I203 WeakPolarHBondContact O-CG1 3.48Å; S199-I203 PolarHBondContact O-N 3.44Å
200V98.8Very high95.3Very high0 Ų028.1 Ų28.10%015%0.145CC..Hα-helixtrans-56.3-47.9171.9174.80000111M121 F124 L125 L128 L141 D196 M197 W198 C202 I203 F204 M275M121-V200 HydrophobicContact CE-CG1 3.63Å; M121-V200 HydrophobicContact SD-CG1 4.5Å; F124-V200 HydrophobicContact CD1-CG1 4.3Å; F124-V200 HydrophobicContact CD1-CG2 4.47Å; F124-V200 HydrophobicContact CE1-CB 4.13Å; F124-V200 HydrophobicContact CE1-CG1 4.05Å; F124-V200 HydrophobicContact CE1-CG2 3.77Å; F124-V200 HydrophobicContact CE2-CG2 3.97Å; F124-V200 HydrophobicContact CZ-CB 4.3Å; F124-V200 HydrophobicContact CZ-CG2 3.49Å; F124-V200 VanDerWaalsContact CZ-CG2 3.49Å; L125-V200 HydrophobicContact CD2-CG1 4.01Å; L128-V200 HydrophobicContact CD2-CG2 3.44Å; L128-V200 VanDerWaalsContact CD2-CG2 3.44Å; L141-V200 HydrophobicContact CD1-CG2 4.22Å; D196-V200 VanDerWaalsContact O-CG2 3.29Å; D196-V200 WeakPolarHBondContact O-CG2 3.34Å; D196-V200 PolarHBondContact O-N 2.99Å; M197-V200 HydrophobicContact SD-CG2 4.42Å; W198-V200 VanDerWaalsContact C-N 3.26Å; W198-V200 PolarHBondContact O-N 3.18Å; V200-C202 PolarHBondContact O-N 3.18Å; V200-I203 PolarHBondContact O-N 2.91Å; V200-F204 VanDerWaalsContact O-CB 3.31Å; V200-F204 WeakPolarHBondContact O-CB 3.25Å; V200-F204 PolarHBondContact O-N 3.13Å; V200-M275 HydrophobicContact CG1-CE 3.94Å; V200-M275 HydrophobicContact CG1-SD 3.75Å
201G98.8Very high96Very high0 Ų028.9 Ų28.90%014%0.137CC..Hα-helixtrans-59-44.917700000112.9M197 W198 S199 I203 F204 A205 L272M197-G201 PolarHBondContact O-N 2.99Å; M197-G201 VanDerWaalsContact O-N 3.12Å; W198-G201 PolarHBondContact O-N 3.02Å; S199-G201 PolarHBondContact O-N 3.04Å; G201-I203 VanDerWaalsContact C-N 3.33Å; G201-I203 PolarHBondContact O-N 2.86Å; G201-F204 PolarHBondContact O-N 3.29Å; G201-A205 PolarHBondContact O-N 3Å; G201-A205 VanDerWaalsContact O-N 3.11Å; G201-L272 WeakPolarHBondContact O-CD1 3.42Å
202C98.8Very high96.7Very high0 Ų024.4 Ų24.40%012%0.121CC..Hα-helixtrans-58.3-44.8175.1-69.50000112.4Y180 W198 S199 V200 E206Y180-C202 HydrophobicContact CD1-CB 3.69Å; Y180-C202 HydrophobicContact CE1-CB 4.31Å; W198-C202 PolarHBondContact O-N 3.16Å; S199-C202 PolarHBondContact O-N 3.35Å; V200-C202 PolarHBondContact O-N 3.18Å; C202-E206 WeakPolarHBondContact O-CB 3.3Å; C202-E206 PolarHBondContact O-N 3.16Å
203I98.8Very high97.2Very high1 Ų122.5 Ų22.51%0.00510%0.104CC..Hα-helixtrans-71.5-36.3-178.7-64.6165.9000110.9L100 F124 L141 P143 I146 Y180 S199 V200 G201 E206 M207L100-I203 HydrophobicContact CD2-CG2 3.63Å; F124-I203 HydrophobicContact CE1-CB 4.32Å; F124-I203 HydrophobicContact CE1-CD1 4.16Å; F124-I203 HydrophobicContact CE1-CG2 4.18Å; F124-I203 HydrophobicContact CZ-CD1 4.19Å; L141-I203 HydrophobicContact CB-CD1 4.36Å; P143-I203 HydrophobicContact CG-CG1 4.41Å; I146-I203 HydrophobicContact CD1-CD1 3.64Å; I146-I203 HydrophobicContact CD1-CG2 3.94Å; Y180-I203 HydrophobicContact CD1-CD1 4.43Å; Y180-I203 HydrophobicContact CD1-CG1 3.77Å; Y180-I203 HydrophobicContact CE1-CG1 3.83Å; S199-I203 WeakPolarHBondContact O-CD1 3.4Å; S199-I203 VanDerWaalsContact O-CG1 3.23Å; S199-I203 WeakPolarHBondContact O-CG1 3.48Å; S199-I203 PolarHBondContact O-N 3.44Å; V200-I203 PolarHBondContact O-N 2.91Å; G201-I203 VanDerWaalsContact C-N 3.33Å; G201-I203 PolarHBondContact O-N 2.86Å; I203-E206 PolarHBondContact O-N 3.39Å; I203-M207 HydrophobicContact CG2-CE 4.31Å; I203-M207 WeakPolarHBondContact O-CG 3.41Å; I203-M207 PolarHBondContact O-N 3.16Å
204F98.8Very high97.6Very high0 Ų020.3 Ų20.30%09%0.09CC..Hα-helixtrans-59.8-48.3175.8-179.9-149000111.5I117 M121 V200 G201 E206 M207 F208 M264 L272 M275 Y294I117-F204 HydrophobicContact CG2-CD2 4.14Å; I117-F204 HydrophobicContact CG2-CE2 4.02Å; M121-F204 HydrophobicContact CE-CB 3.76Å; M121-F204 HydrophobicContact CE-CD1 4.19Å; M121-F204 HydrophobicContact CE-CD2 4.01Å; M121-F204 HydrophobicContact CE-CG 3.73Å; M121-F204 HydrophobicContact CG-CD2 3.44Å; M121-F204 VanDerWaalsContact CG-CD2 3.44Å; M121-F204 HydrophobicContact CG-CE2 3.82Å; M121-F204 HydrophobicContact CG-CG 4.16Å; M121-F204 HydrophobicContact SD-CB 3.64Å; M121-F204 HydrophobicContact SD-CD2 3.65Å; M121-F204 HydrophobicContact SD-CG 3.8Å; V200-F204 VanDerWaalsContact O-CB 3.31Å; V200-F204 WeakPolarHBondContact O-CB 3.25Å; V200-F204 PolarHBondContact O-N 3.13Å; G201-F204 PolarHBondContact O-N 3.29Å; F204-E206 VanDerWaalsContact C-N 3.34Å; F204-E206 PolarHBondContact O-N 3.19Å; F204-M207 HydrophobicContact CD2-CE 4.48Å; F204-M207 PolarHBondContact O-N 3.17Å; F204-F208 HydrophobicContact CD2-CE2 4.12Å; F204-F208 HydrophobicContact CE2-CD2 4.48Å; F204-F208 AromaticContact CE2-CE2 3.59Å; F204-F208 HydrophobicContact CE2-CE2 3.59Å; F204-F208 HydrophobicContact CE2-CZ 4.43Å; F204-F208 HydrophobicContact CZ-CE2 4.21Å; F204-F208 WeakPolarHBondContact O-CD2 3.24Å; F204-M264 HydrophobicContact CD1-CE 4.17Å; F204-M264 HydrophobicContact CD2-CE 4.35Å; F204-M264 HydrophobicContact CE1-CE 3.75Å; F204-M264 HydrophobicContact CE1-SD 4.37Å; F204-M264 HydrophobicContact CE2-CE 3.99Å; F204-M264 HydrophobicContact CG-CE 4.43Å; F204-M264 HydrophobicContact CZ-CE 3.64Å; F204-M264 HydrophobicContact CZ-SD 4.48Å; F204-L272 HydrophobicContact CB-CD1 4.41Å; F204-L272 HydrophobicContact CD1-CB 4.03Å; F204-L272 HydrophobicContact CD1-CD1 3.92Å; F204-L272 HydrophobicContact CE1-CB 4.06Å; F204-M275 HydrophobicContact CD1-SD 4.26Å; F204-Y294 HydrophobicContact CE1-CE1 4.34Å; F204-Y294 AromaticContact CE2-CE1 3.64Å; F204-Y294 HydrophobicContact CE2-CE1 3.64Å; F204-Y294 AromaticContact CE2-CZ 3.93Å; F204-Y294 AromaticContact CZ-CD1 3.96Å; F204-Y294 HydrophobicContact CZ-CD1 3.96Å; F204-Y294 AromaticContact CZ-CE1 3.27Å; F204-Y294 HydrophobicContact CZ-CE1 3.27Å; F204-Y294 HydrophobicContact CZ-CE2 4.48Å; F204-Y294 AromaticContact CZ-CZ 3.59Å
205A98.6Very high97.6Very high0 Ų021.3 Ų21.30%010%0.097CC..Hα-helixtrans-64-38.6173.800000112.3G201 M207 F208 R209 L213 V261 L272G201-A205 PolarHBondContact O-N 3Å; G201-A205 VanDerWaalsContact O-N 3.11Å; A205-M207 VanDerWaalsContact C-N 3.3Å; A205-M207 PolarHBondContact O-N 2.9Å; A205-F208 PolarHBondContact O-N 2.77Å; A205-R209 WeakPolarHBondContact O-CG 3.4Å; A205-R209 PolarHBondContact O-N 3.23Å; A205-L213 HydrophobicContact CB-CB 4.18Å; A205-L213 HydrophobicContact CB-CD1 4Å; A205-L213 HydrophobicContact CB-CD2 3.76Å; A205-L213 HydrophobicContact CB-CG 4.18Å; A205-V261 HydrophobicContact CB-CG2 4.03Å; A205-L272 HydrophobicContact CB-CD1 4.26Å; A205-L272 HydrophobicContact CB-CD2 4.03Å
206E98.4Very high97.6Very high0 Ų021.1 Ų21.10%010%0.096CC..Hα-helixtrans-64.3-31.5177.9179163.3-169.900113R101 L104 Y180 C202 I203 F204 F208 R209 R210 P212R101-E206 IonicContact CZ-OE1 2.85Å; R101-E206 IonicContact NH1-OE1 3.61Å; R101-E206 PolarHBondContact NH1-OE1 3.13Å; R101-E206 IonicContact NH2-OE1 2.88Å; L104-E206 HydrophobicContact CD1-CG 4.29Å; Y180-E206 WeakPolarHBondContact CE1-OE2 3.48Å; Y180-E206 VanDerWaalsContact CZ-OE2 3.25Å; Y180-E206 PolarHBondContact OH-OE1 3.41Å; Y180-E206 PolarHBondContact OH-OE2 3.38Å; C202-E206 WeakPolarHBondContact O-CB 3.3Å; C202-E206 PolarHBondContact O-N 3.16Å; I203-E206 PolarHBondContact O-N 3.39Å; F204-E206 VanDerWaalsContact C-N 3.34Å; F204-E206 PolarHBondContact O-N 3.19Å; E206-F208 PolarHBondContact O-N 3.03Å; E206-R209 PolarHBondContact O-N 3.47Å; E206-R210 VanDerWaalsContact O-CA 3.3Å; E206-R210 WeakPolarHBondContact O-CA 3.39Å; E206-R210 PolarHBondContact O-N 2.98Å; E206-P212 WeakPolarHBondContact OE2-CA 3.25Å
207M98.5Very high97.5Very high3 Ų327.8 Ų27.82%0.01513%0.132CC..Hα-helixtrans-61.5-31176.2-76.6-170.6-8600113.2L100 L104 I117 L120 M121 I203 F204 A205L100-M207 HydrophobicContact CD1-SD 4.34Å; L100-M207 HydrophobicContact CD2-CG 4.32Å; L100-M207 HydrophobicContact CD2-SD 4.26Å; L104-M207 HydrophobicContact CD1-CG 4.35Å; L104-M207 HydrophobicContact CD2-CB 4.36Å; L104-M207 HydrophobicContact CD2-CG 4.23Å; I117-M207 HydrophobicContact CD1-CB 4.24Å; I117-M207 HydrophobicContact CG1-CB 4.19Å; I117-M207 HydrophobicContact CG2-CB 3.88Å; I117-M207 HydrophobicContact CG2-CE 4.38Å; I117-M207 HydrophobicContact CG2-SD 4.25Å; L120-M207 HydrophobicContact CB-SD 4.1Å; L120-M207 HydrophobicContact CD1-SD 4.11Å; M121-M207 HydrophobicContact CG-CE 3.55Å; M121-M207 HydrophobicContact SD-CE 3.18Å; M121-M207 WeakPolarHBondContact SD-CE 3.47Å; I203-M207 HydrophobicContact CG2-CE 4.31Å; I203-M207 WeakPolarHBondContact O-CG 3.41Å; I203-M207 PolarHBondContact O-N 3.16Å; F204-M207 HydrophobicContact CD2-CE 4.48Å; F204-M207 PolarHBondContact O-N 3.17Å; A205-M207 VanDerWaalsContact C-N 3.3Å; A205-M207 PolarHBondContact O-N 2.9Å
208F97.6Very high97.2Very high15 Ų1530.2 Ų30.27%0.06615%0.149CC..Hα-helixtrans-81.4-47.3170.5-70.6-89.3000111.7I117 F204 A205 E206 R210 V261 E263 M264 Y294I117-F208 HydrophobicContact CB-CE2 4.44Å; I117-F208 HydrophobicContact CB-CZ 4.35Å; I117-F208 HydrophobicContact CD1-CD1 3.67Å; I117-F208 HydrophobicContact CD1-CD2 3.97Å; I117-F208 HydrophobicContact CD1-CE1 3.72Å; I117-F208 HydrophobicContact CD1-CE2 4Å; I117-F208 HydrophobicContact CD1-CG 3.8Å; I117-F208 HydrophobicContact CD1-CZ 3.87Å; I117-F208 HydrophobicContact CG2-CD2 4.24Å; I117-F208 HydrophobicContact CG2-CE2 3.66Å; I117-F208 HydrophobicContact CG2-CZ 4.02Å; F204-F208 HydrophobicContact CD2-CE2 4.12Å; F204-F208 HydrophobicContact CE2-CD2 4.48Å; F204-F208 AromaticContact CE2-CE2 3.59Å; F204-F208 HydrophobicContact CE2-CE2 3.59Å; F204-F208 HydrophobicContact CE2-CZ 4.43Å; F204-F208 HydrophobicContact CZ-CE2 4.21Å; F204-F208 WeakPolarHBondContact O-CD2 3.24Å; A205-F208 PolarHBondContact O-N 2.77Å; E206-F208 PolarHBondContact O-N 3.03Å; F208-R210 VanDerWaalsContact C-N 3.33Å; F208-R210 PolarHBondContact O-N 3.35Å; F208-V261 HydrophobicContact CB-CG1 3.33Å; F208-V261 HydrophobicContact CD1-CG1 4.28Å; F208-V261 HydrophobicContact CD2-CG1 4.08Å; F208-V261 HydrophobicContact CG-CG1 3.66Å; F208-E263 HydrophobicContact CD1-CB 4.13Å; F208-M264 HydrophobicContact CD2-CE 3.52Å; F208-M264 HydrophobicContact CE2-CE 3.38Å; F208-M264 HydrophobicContact CG-CE 4.48Å; F208-M264 HydrophobicContact CZ-CE 4.25Å; F208-Y294 WeakPolarHBondContact CZ-OH 3.47Å
209R95.4Very high96.9Very high84 Ų8434 Ų3432%0.31717%0.167SC..Hα-helixtrans-74.1-22.2-171.9-66.6-17869.1-171.6-6113.9A205 E206 K211 L213 V260 V261A205-R209 WeakPolarHBondContact O-CG 3.4Å; A205-R209 PolarHBondContact O-N 3.23Å; E206-R209 PolarHBondContact O-N 3.47Å; R209-K211 PolarHBondContact O-N 3.41Å; R209-K211 VanDerWaalsContact O-N 3.07Å; R209-L213 PolarHBondContact NH1-O 3.25Å; R209-L213 VanDerWaalsContact NH1-O 3.14Å; R209-V260 VanDerWaalsContact CD-O 3.26Å; R209-V260 WeakPolarHBondContact CD-O 3.25Å; R209-V260 WeakPolarHBondContact CG-O 3.18Å; R209-V260 PolarHBondContact NE-O 3.37Å; R209-V261 HydrophobicContact CG-CG2 3.96Å
210R94.6Very high96.7Very high98 Ų9835.9 Ų35.937%0.3718%0.183SC..SBendtrans55.215.6-167.2-60.1167.3-73177.5-6.9113.8P110 E206 F208P110-R210 PolarHBondContact O-NH1 3.47Å; P110-R210 PolarHBondContact O-NH2 2.88Å; E206-R210 VanDerWaalsContact O-CA 3.3Å; E206-R210 WeakPolarHBondContact O-CA 3.39Å; E206-R210 PolarHBondContact O-N 2.98Å; F208-R210 VanDerWaalsContact C-N 3.33Å; F208-R210 PolarHBondContact O-N 3.35Å
211K94.8Very high96.5Very high147 Ų14738.6 Ų38.664%0.63920%0.197SC*.SBendtrans-143.3146.3179.8-65.9-175.9-178.3178.40108.3R209R209-K211 PolarHBondContact O-N 3.41Å; R209-K211 VanDerWaalsContact O-N 3.07Å
212P97.5Very high96.5Very high16 Ų1638.6 Ų38.610%0.10420%0.197CC..  trans-58.9144.6-177.6-16.825.7000112.2W179 E206W179-P212 HydrophobicContact CD2-CB 4.47Å; W179-P212 HydrophobicContact CD2-CG 4.47Å; W179-P212 HydrophobicContact CE3-CB 3.91Å; W179-P212 HydrophobicContact CE3-CG 3.53Å; W179-P212 HydrophobicContact CZ3-CG 3.7Å; E206-P212 WeakPolarHBondContact OE2-CA 3.25Å
213L98.3Very high96.4Very high14 Ų1438.6 Ų38.67%0.07320%0.197CC..SBendtrans-66-46-176-179.759.1000112A205 R209 L229 V260 L276A205-L213 HydrophobicContact CB-CB 4.18Å; A205-L213 HydrophobicContact CB-CD1 4Å; A205-L213 HydrophobicContact CB-CD2 3.76Å; A205-L213 HydrophobicContact CB-CG 4.18Å; R209-L213 PolarHBondContact NH1-O 3.25Å; R209-L213 VanDerWaalsContact NH1-O 3.14Å; L213-L229 HydrophobicContact CD1-CD2 4.11Å; L213-L229 HydrophobicContact CD2-CD2 4.18Å; L213-V260 HydrophobicContact CD1-CG2 4.19Å; L213-L276 HydrophobicContact CD2-CD1 3.61Å
214F98.1Very high96.4Very high7 Ų739 Ų393%0.03120%0.202CC..  trans-128.8107.5-176.1-54.5-60.7000110.6W179 W198 Q222 K225 I226 L229 L276W179-F214 VanDerWaalsContact CA-O 3.25Å; W179-F214 WeakPolarHBondContact CA-O 3.38Å; W179-F214 WeakPolarHBondContact CB-O 3.22Å; W198-F214 HydrophobicContact CZ2-CD2 4.45Å; W198-F214 AromaticContact CZ2-CE2 3.93Å; W198-F214 HydrophobicContact CZ2-CE2 3.93Å; F214-Q222 PolarHBondContact O-NE2 3.26Å; F214-Q222 PolarHBondContact O-OE1 3.07Å; F214-K225 HydrophobicContact CD1-CB 4.29Å; F214-K225 WeakPolarHBondContact CD1-O 3.49Å; F214-K225 WeakPolarHBondContact CE1-O 3.44Å; F214-I226 HydrophobicContact CD1-CG1 4.28Å; F214-I226 HydrophobicContact CD2-CG1 3.91Å; F214-I226 HydrophobicContact CE1-CG1 4.45Å; F214-I226 HydrophobicContact CE2-CG1 4.09Å; F214-I226 HydrophobicContact CG-CG1 4Å; F214-I226 HydrophobicContact CZ-CG1 4.35Å; F214-L229 HydrophobicContact CE1-CB 3.9Å; F214-L229 HydrophobicContact CE1-CD2 4.04Å; F214-L229 HydrophobicContact CZ-CB 4.18Å; F214-L229 HydrophobicContact CZ-CD2 3.79Å; F214-L276 HydrophobicContact CE2-CD1 4.29Å; F214-L276 HydrophobicContact CE2-CD2 4.37Å; F214-L276 HydrophobicContact CZ-CD1 4.35Å
215C96.3Very high96.3Very high49 Ų4941.8 Ų41.833%0.33121%0.214SC..  trans-10763.9-175.8-54.60000112.6W179 K225W179-C215 HydrophobicContact CD2-CB 4.49Å; W179-C215 HydrophobicContact CZ2-CB 4.47Å; C215-K225 PolarHBondContact O-NZ 3.22Å
216G95.8Very high96.3Very high2 Ų241.8 Ų41.82%0.02121%0.214CC..  trans-75.9151.7179.100000114.3W179 D221W179-G216 PolarHBondContact NE1-O 3.37Å; G216-D221 VanDerWaalsContact CA-OD2 3.26Å; G216-D221 WeakPolarHBondContact CA-OD2 3.37Å
217N92.9Very high96.3Very high141 Ų14141.8 Ų41.875%0.75421%0.214SC*.SBendtrans-107.3-7178.9-63.4-38.7000113.9D221N217-D221 PolarHBondContact N-OD2 2.92Å
218S92.4Very high96.2Very high51 Ų5144.9 Ų44.936%0.35723%0.23SC..SBendtrans-147.9166.8171.468.30000109.1L178 A220 D221 Q222L178-S218 VanDerWaalsContact CD1-C 3.47Å; S218-A220 VanDerWaalsContact C-N 3.29Å; S218-A220 PolarHBondContact O-N 2.94Å; S218-D221 PolarHBondContact O-N 3.15Å; S218-D221 WeakPolarHBondContact OG-CB 3.36Å; S218-D221 PolarHBondContact OG-N 3.46Å; S218-D221 VanDerWaalsContact OG-N 3.13Å; S218-Q222 VanDerWaalsContact O-CB 3.29Å; S218-Q222 WeakPolarHBondContact O-CB 3.27Å; S218-Q222 PolarHBondContact O-N 3.28Å
219E92.3Very high96.2Very high80 Ų8044.5 Ų44.537%0.37423%0.229SC..Hα-helixtrans-59.2-41.2177.8-66.485.217400112.1L186 Q222 L223L186-E219 HydrophobicContact CB-CB 4.43Å; L186-E219 HydrophobicContact CD2-CB 4.31Å; L186-E219 HydrophobicContact CD2-CG 4.05Å; E219-Q222 PolarHBondContact O-N 3.48Å; E219-L223 WeakPolarHBondContact O-CB 3.34Å; E219-L223 WeakPolarHBondContact O-CG 3.4Å; E219-L223 PolarHBondContact O-N 3.07Å
220A94.4Very high96.4Very high46 Ų4642 Ų4238%0.3822%0.222SC..Hα-helixtrans-68.1-41.6177.500000112.4S218 L223 G224 L244S218-A220 VanDerWaalsContact C-N 3.29Å; S218-A220 PolarHBondContact O-N 2.94Å; A220-L223 PolarHBondContact O-N 3.49Å; A220-G224 PolarHBondContact O-N 3.33Å; A220-L244 HydrophobicContact CB-CD2 4.44Å
221D95.8Very high96.5Very high56 Ų5637.4 Ų37.430%0.29921%0.205SC..Hα-helixtrans-64.5-42.4175-179.244.4000111.2G216 N217 S218 G224 K225G216-D221 VanDerWaalsContact CA-OD2 3.26Å; G216-D221 WeakPolarHBondContact CA-OD2 3.37Å; N217-D221 PolarHBondContact N-OD2 2.92Å; S218-D221 PolarHBondContact O-N 3.15Å; S218-D221 WeakPolarHBondContact OG-CB 3.36Å; S218-D221 PolarHBondContact OG-N 3.46Å; S218-D221 VanDerWaalsContact OG-N 3.13Å; D221-G224 PolarHBondContact O-N 2.79Å; D221-K225 WeakPolarHBondContact O-CG 3.18Å; D221-K225 PolarHBondContact O-N 3.41Å; D221-K225 WeakPolarHBondContact OD1-CE 3.46Å; D221-K225 IonicContact OD1-NZ 2.96Å; D221-K225 WeakPolarHBondContact OD2-CE 3.22Å; D221-K225 IonicContact OD2-NZ 2.87Å; D221-K225 PolarHBondContact OD2-NZ 3.05Å
222Q97.6Very high96.7Very high0 Ų031.4 Ų31.40%018%0.18CC..Hα-helixtrans-60-48.7176-176.467.818.500111.1L178 W179 L186 F214 S218 E219 G224 K225 I226L178-Q222 HydrophobicContact CB-CG 4.4Å; W179-Q222 PolarHBondContact O-NE2 3.04Å; L186-Q222 HydrophobicContact CD1-CB 4.01Å; L186-Q222 HydrophobicContact CD1-CG 3.43Å; L186-Q222 VanDerWaalsContact CD1-CG 3.43Å; L186-Q222 HydrophobicContact CD2-CB 4.37Å; L186-Q222 HydrophobicContact CD2-CG 4.12Å; L186-Q222 HydrophobicContact CG-CG 4.43Å; F214-Q222 PolarHBondContact O-NE2 3.26Å; F214-Q222 PolarHBondContact O-OE1 3.07Å; S218-Q222 VanDerWaalsContact O-CB 3.29Å; S218-Q222 WeakPolarHBondContact O-CB 3.27Å; S218-Q222 PolarHBondContact O-N 3.28Å; E219-Q222 PolarHBondContact O-N 3.48Å; Q222-G224 VanDerWaalsContact C-N 3.31Å; Q222-G224 PolarHBondContact O-N 3.01Å; Q222-K225 PolarHBondContact O-N 2.97Å; Q222-I226 HydrophobicContact CG-CD1 4.21Å; Q222-I226 VanDerWaalsContact O-CG1 3.24Å; Q222-I226 WeakPolarHBondContact O-CG1 3.43Å; Q222-I226 PolarHBondContact O-N 3.32Å
223L97.8Very high96.7Very high0 Ų031.1 Ų31.10%018%0.178CC..Hα-helixtrans-60.2-40.8174.6-76.6166.7000112.1P183 L186 L187 E219 A220 K225 I226 F227 L244 F249P183-L223 HydrophobicContact CB-CD2 4Å; L186-L223 HydrophobicContact CB-CD1 4.21Å; L186-L223 HydrophobicContact CB-CD2 4.27Å; L186-L223 HydrophobicContact CB-CG 4.08Å; L186-L223 HydrophobicContact CD1-CD2 4.09Å; L186-L223 HydrophobicContact CD1-CG 4.02Å; L187-L223 HydrophobicContact CD2-CD1 3.68Å; L187-L223 HydrophobicContact CG-CD1 4.07Å; L187-L223 HydrophobicContact CG-CD2 4.48Å; E219-L223 WeakPolarHBondContact O-CB 3.34Å; E219-L223 WeakPolarHBondContact O-CG 3.4Å; E219-L223 PolarHBondContact O-N 3.07Å; A220-L223 PolarHBondContact O-N 3.49Å; L223-K225 PolarHBondContact O-N 3.28Å; L223-I226 WeakPolarHBondContact O-CB 3.06Å; L223-I226 PolarHBondContact O-N 2.87Å; L223-F227 HydrophobicContact CB-CE2 4.06Å; L223-F227 HydrophobicContact CB-CZ 4.35Å; L223-F227 HydrophobicContact CD2-CZ 4.01Å; L223-F227 WeakPolarHBondContact O-CD2 3.42Å; L223-F227 VanDerWaalsContact O-CG 3.22Å; L223-F227 WeakPolarHBondContact O-CG 3.45Å; L223-F227 PolarHBondContact O-N 3.44Å; L223-L244 HydrophobicContact CD1-CD2 3.65Å; L223-F249 HydrophobicContact CB-CE1 3.66Å; L223-F249 HydrophobicContact CB-CZ 3.54Å; L223-F249 HydrophobicContact CD1-CE2 4.37Å; L223-F249 HydrophobicContact CD1-CZ 3.77Å; L223-F249 HydrophobicContact CG-CZ 4.3Å
224G97.7Very high96.6Very high11 Ų1133.9 Ų33.911%0.11320%0.197CC..Hα-helixtrans-56.3-47.6174.400000112.5A220 D221 Q222 I226 F227 D228 R252A220-G224 PolarHBondContact O-N 3.33Å; D221-G224 PolarHBondContact O-N 2.79Å; Q222-G224 VanDerWaalsContact C-N 3.31Å; Q222-G224 PolarHBondContact O-N 3.01Å; G224-I226 VanDerWaalsContact C-N 3.33Å; G224-I226 PolarHBondContact O-N 3.45Å; G224-F227 PolarHBondContact O-N 2.92Å; G224-D228 PolarHBondContact O-N 2.91Å; G224-D228 VanDerWaalsContact O-N 3.1Å; G224-R252 PolarHBondContact O-NH1 3.32Å
225K97.9Very high96.4Very high58 Ų5840.9 Ų40.925%0.25223%0.23SC..Hα-helixtrans-66.9-34.2178-69.8176-170.3171.90112.8F214 C215 D221 Q222 L223 D228F214-K225 HydrophobicContact CD1-CB 4.29Å; F214-K225 WeakPolarHBondContact CD1-O 3.49Å; F214-K225 WeakPolarHBondContact CE1-O 3.44Å; C215-K225 PolarHBondContact O-NZ 3.22Å; D221-K225 WeakPolarHBondContact O-CG 3.18Å; D221-K225 PolarHBondContact O-N 3.41Å; D221-K225 WeakPolarHBondContact OD1-CE 3.46Å; D221-K225 IonicContact OD1-NZ 2.96Å; D221-K225 WeakPolarHBondContact OD2-CE 3.22Å; D221-K225 IonicContact OD2-NZ 2.87Å; D221-K225 PolarHBondContact OD2-NZ 3.05Å; Q222-K225 PolarHBondContact O-N 2.97Å; L223-K225 PolarHBondContact O-N 3.28Å; K225-D228 WeakPolarHBondContact O-CB 3.31Å; K225-D228 PolarHBondContact O-N 3.33Å
226I98.5Very high96.4Very high0 Ų046.1 Ų46.10%026%0.255CS..Hα-helixtrans-60.3-50.7173.1-70.5169.8000109.9P183 L186 W198 F214 Q222 L223 G224 D228 L229 I230P183-I226 HydrophobicContact CG-CD1 4.45Å; L186-I226 HydrophobicContact CD1-CD1 3.83Å; W198-I226 HydrophobicContact CH2-CD1 4.33Å; W198-I226 HydrophobicContact CH2-CG1 4.39Å; W198-I226 HydrophobicContact CH2-CG2 3.41Å; W198-I226 VanDerWaalsContact CH2-CG2 3.41Å; W198-I226 HydrophobicContact CZ2-CB 4.31Å; W198-I226 HydrophobicContact CZ2-CD1 3.56Å; W198-I226 HydrophobicContact CZ2-CG1 3.72Å; W198-I226 HydrophobicContact CZ2-CG2 3.66Å; F214-I226 HydrophobicContact CD1-CG1 4.28Å; F214-I226 HydrophobicContact CD2-CG1 3.91Å; F214-I226 HydrophobicContact CE1-CG1 4.45Å; F214-I226 HydrophobicContact CE2-CG1 4.09Å; F214-I226 HydrophobicContact CG-CG1 4Å; F214-I226 HydrophobicContact CZ-CG1 4.35Å; Q222-I226 HydrophobicContact CG-CD1 4.21Å; Q222-I226 VanDerWaalsContact O-CG1 3.24Å; Q222-I226 WeakPolarHBondContact O-CG1 3.43Å; Q222-I226 PolarHBondContact O-N 3.32Å; L223-I226 WeakPolarHBondContact O-CB 3.06Å; L223-I226 PolarHBondContact O-N 2.87Å; G224-I226 VanDerWaalsContact C-N 3.33Å; G224-I226 PolarHBondContact O-N 3.45Å; I226-D228 PolarHBondContact O-N 3.11Å; I226-L229 PolarHBondContact O-N 3.2Å; I226-L229 VanDerWaalsContact O-N 3.08Å; I226-I230 HydrophobicContact CG2-CD1 3.69Å; I226-I230 HydrophobicContact CG2-CG1 3.89Å; I226-I230 PolarHBondContact O-N 3.39Å; I226-I230 VanDerWaalsContact O-N 3.08Å
227F98.3Very high96.4Very high0 Ų047.5 Ų47.50%026%0.262CS..Hα-helixtrans-67.6-23.1-178.3-56.8-32.7000113.3L223 G224 L229 I230 G231 L232 P233 W238 F249 R252 F278L223-F227 HydrophobicContact CB-CE2 4.06Å; L223-F227 HydrophobicContact CB-CZ 4.35Å; L223-F227 HydrophobicContact CD2-CZ 4.01Å; L223-F227 WeakPolarHBondContact O-CD2 3.42Å; L223-F227 VanDerWaalsContact O-CG 3.22Å; L223-F227 WeakPolarHBondContact O-CG 3.45Å; L223-F227 PolarHBondContact O-N 3.44Å; G224-F227 PolarHBondContact O-N 2.92Å; F227-L229 PolarHBondContact O-N 3.18Å; F227-I230 HydrophobicContact CD1-CG1 4.38Å; F227-G231 WeakPolarHBondContact CD1-O 3.45Å; F227-G231 WeakPolarHBondContact O-CA 3.42Å; F227-G231 PolarHBondContact O-N 3.48Å; F227-L232 HydrophobicContact CD2-CD1 3.81Å; F227-L232 HydrophobicContact CE2-CD1 3.87Å; F227-L232 HydrophobicContact CG-CD1 4.27Å; F227-L232 HydrophobicContact CZ-CD1 4.37Å; F227-P233 HydrophobicContact CD1-CG 4.36Å; F227-P233 VanDerWaalsContact CE1-CD 3.41Å; F227-P233 HydrophobicContact CE1-CG 3.79Å; F227-P233 HydrophobicContact CZ-CG 4.45Å; F227-W238 HydrophobicContact CE1-CZ3 4.48Å; F227-W238 HydrophobicContact CE2-CH2 4.05Å; F227-W238 HydrophobicContact CE2-CZ3 4.1Å; F227-W238 AromaticContact CZ-CH2 3.82Å; F227-W238 HydrophobicContact CZ-CH2 3.82Å; F227-W238 AromaticContact CZ-CZ3 3.61Å; F227-W238 HydrophobicContact CZ-CZ3 3.61Å; F227-F249 HydrophobicContact CD2-CB 4.18Å; F227-F249 AromaticContact CD2-CD1 3.75Å; F227-F249 HydrophobicContact CD2-CD1 3.75Å; F227-F249 HydrophobicContact CD2-CD2 4.49Å; F227-F249 HydrophobicContact CD2-CE1 4.23Å; F227-F249 AromaticContact CD2-CG 3.89Å; F227-F249 HydrophobicContact CD2-CG 3.89Å; F227-F249 HydrophobicContact CE2-CB 4.27Å; F227-F249 AromaticContact CE2-CD1 3.73Å; F227-F249 HydrophobicContact CE2-CD1 3.73Å; F227-F249 AromaticContact CE2-CD2 3.81Å; F227-F249 HydrophobicContact CE2-CD2 3.81Å; F227-F249 AromaticContact CE2-CE1 3.93Å; F227-F249 HydrophobicContact CE2-CE1 3.93Å; F227-F249 HydrophobicContact CE2-CE2 4.01Å; F227-F249 AromaticContact CE2-CG 3.66Å; F227-F249 HydrophobicContact CE2-CG 3.66Å; F227-F249 HydrophobicContact CE2-CZ 4.05Å; F227-R252 VanDerWaalsContact C-CD 3.46Å; F227-R252 HydrophobicContact CB-CG 4.22Å; F227-R252 WeakPolarHBondContact O-CD 3.24Å; F227-F278 AromaticContact CE1-CD2 3.85Å; F227-F278 HydrophobicContact CE1-CD2 3.85Å; F227-F278 AromaticContact CE1-CE2 3.72Å; F227-F278 HydrophobicContact CE1-CE2 3.72Å; F227-F278 HydrophobicContact CZ-CD2 4.47Å; F227-F278 AromaticContact CZ-CE2 3.89Å; F227-F278 HydrophobicContact CZ-CE2 3.89Å
228D97.2Very high96.6Very high67 Ų6742.1 Ų42.136%0.35823%0.231SC..Hα-helixtrans-60-27.2172-76.4-36.9000113.1G224 K225 I226 R252 R255G224-D228 PolarHBondContact O-N 2.91Å; G224-D228 VanDerWaalsContact O-N 3.1Å; K225-D228 WeakPolarHBondContact O-CB 3.31Å; K225-D228 PolarHBondContact O-N 3.33Å; I226-D228 PolarHBondContact O-N 3.11Å; D228-R252 IonicContact OD1-CZ 3.44Å; D228-R252 IonicContact OD1-NH1 2.91Å; D228-R252 PolarHBondContact OD1-NH1 3.22Å; D228-R252 IonicContact OD2-NH1 2.81Å; D228-R255 VanDerWaalsContact O-CD 3.26Å; D228-R255 WeakPolarHBondContact O-CD 3.39Å; D228-R255 PolarHBondContact O-NE 3.25Å
229L97.8Very high96.6Very high7 Ų741.3 Ų41.34%0.03722%0.224CC..Hα-helixtrans-96.7-57.1176.9-175.461.5000111.9L213 F214 I226 F227 G231 R255 V260 L276L213-L229 HydrophobicContact CD1-CD2 4.11Å; L213-L229 HydrophobicContact CD2-CD2 4.18Å; F214-L229 HydrophobicContact CE1-CB 3.9Å; F214-L229 HydrophobicContact CE1-CD2 4.04Å; F214-L229 HydrophobicContact CZ-CB 4.18Å; F214-L229 HydrophobicContact CZ-CD2 3.79Å; I226-L229 PolarHBondContact O-N 3.2Å; I226-L229 VanDerWaalsContact O-N 3.08Å; F227-L229 PolarHBondContact O-N 3.18Å; L229-G231 VanDerWaalsContact C-N 3.35Å; L229-G231 PolarHBondContact O-N 2.93Å; L229-R255 PolarHBondContact O-N 3.37Å; L229-V260 HydrophobicContact CD1-CG1 4.43Å; L229-V260 HydrophobicContact CD1-CG2 3.63Å; L229-V260 HydrophobicContact CD2-CG2 4.12Å; L229-L276 HydrophobicContact CD2-CD1 4.32Å
230I97.9Very high96.4Very high31 Ų3149 Ų4916%0.15925%0.25CC..Hα-helixtrans-86.6-5.6-170.370.6165.8000113.8W198 I226 F227 L276 F278W198-I230 HydrophobicContact CH2-CD1 4.07Å; W198-I230 HydrophobicContact CZ3-CD1 4.39Å; I226-I230 HydrophobicContact CG2-CD1 3.69Å; I226-I230 HydrophobicContact CG2-CG1 3.89Å; I226-I230 PolarHBondContact O-N 3.39Å; I226-I230 VanDerWaalsContact O-N 3.08Å; F227-I230 HydrophobicContact CD1-CG1 4.38Å; I230-L276 HydrophobicContact CG2-CB 4.22Å; I230-F278 HydrophobicContact CD1-CB 4.02Å
231G98.1Very high96Very high3 Ų354.5 Ų54.53%0.03127%0.273CS..  trans80.1167.6-171.300000113F227 L229 P233 R252F227-G231 WeakPolarHBondContact CD1-O 3.45Å; F227-G231 WeakPolarHBondContact O-CA 3.42Å; F227-G231 PolarHBondContact O-N 3.48Å; L229-G231 VanDerWaalsContact C-N 3.35Å; L229-G231 PolarHBondContact O-N 2.93Å; G231-P233 WeakPolarHBondContact O-CD 3.16Å; G231-R252 WeakPolarHBondContact CA-O 3.41Å
232L98.1Very high95.7Very high21 Ų2153.1 Ų53.111%0.1127%0.267CS..PPolyproline II helixtrans-76.2122.7172.7-175.567.5000109F227 W238 R246 F249 R252F227-L232 HydrophobicContact CD2-CD1 3.81Å; F227-L232 HydrophobicContact CE2-CD1 3.87Å; F227-L232 HydrophobicContact CG-CD1 4.27Å; F227-L232 HydrophobicContact CZ-CD1 4.37Å; L232-W238 HydrophobicContact CD1-CZ3 4.31Å; L232-R246 HydrophobicContact CD1-CG 4.45Å; L232-R246 HydrophobicContact CD2-CG 4.45Å; L232-F249 HydrophobicContact CD1-CB 3.68Å; L232-F249 HydrophobicContact CD1-CG 4.41Å; L232-R252 HydrophobicContact CB-CG 4.25Å; L232-R252 PolarHBondContact N-O 3.28Å
233P97.6Very high95.3Very high10 Ų1058 Ų587%0.06530%0.301CS..PPolyproline II helixtrans-56.9152.6-179.7-24.333000112.6F227 G231 D237 W238 R246 F278F227-P233 HydrophobicContact CD1-CG 4.36Å; F227-P233 VanDerWaalsContact CE1-CD 3.41Å; F227-P233 HydrophobicContact CE1-CG 3.79Å; F227-P233 HydrophobicContact CZ-CG 4.45Å; G231-P233 WeakPolarHBondContact O-CD 3.16Å; P233-D237 HydrophobicContact CB-CB 4.39Å; P233-W238 HydrophobicContact CG-CZ3 4.48Å; P233-R246 VanDerWaalsContact O-CZ 3.32Å; P233-R246 PolarHBondContact O-NE 2.76Å; P233-R246 PolarHBondContact O-NH2 2.99Å; P233-F278 HydrophobicContact CB-CB 4.33Å; P233-F278 HydrophobicContact CB-CD1 3.65Å; P233-F278 HydrophobicContact CB-CE1 3.99Å; P233-F278 HydrophobicContact CB-CG 3.93Å; P233-F278 HydrophobicContact CG-CB 3.75Å; P233-F278 HydrophobicContact CG-CD1 3.46Å; P233-F278 VanDerWaalsContact CG-CD1 3.46Å; P233-F278 HydrophobicContact CG-CD2 3.45Å; P233-F278 VanDerWaalsContact CG-CD2 3.45Å; P233-F278 HydrophobicContact CG-CE1 3.8Å; P233-F278 HydrophobicContact CG-CE2 3.78Å; P233-F278 HydrophobicContact CG-CG 3.26Å; P233-F278 HydrophobicContact CG-CZ 3.95Å
234P95.6Very high95Very high72 Ų7260.1 Ų60.147%0.46831%0.312SS..PPolyproline II helixtrans-64.8161.7171.229.5-34.2000111D236 D237 W238P234-D236 VanDerWaalsContact C-N 3.31Å; P234-D236 PolarHBondContact O-N 3.29Å; P234-D237 HydrophobicContact CG-CB 4.03Å; P234-D237 PolarHBondContact O-N 3.27Å; P234-W238 PolarHBondContact O-N 2.76Å
235E95Very high94.8Very high153 Ų15363.4 Ų63.472%0.71533%0.331SS*.G310 helixtrans-60.6-39.2-177.4-169.8168.5177.300112.6D237 W238E235-D237 PolarHBondContact O-N 2.54Å; E235-W238 WeakPolarHBondContact O-CB 3.48Å; E235-W238 PolarHBondContact O-N 3.36Å
236D95.9Very high94.7Very high160 Ų16064.3 Ų64.386%0.85633%0.333SS*.G310 helixtrans-63.2-24178.6-66.4-25.7000114P234P234-D236 VanDerWaalsContact C-N 3.31Å; P234-D236 PolarHBondContact O-N 3.29Å
237D96Very high94.5Very high31 Ų3167.8 Ų67.817%0.16637%0.368CS..G310 helixtrans-90.8-7.6176.5-79.1-25.7000112.5P233 P234 E235 F278 N279 K282P233-D237 HydrophobicContact CB-CB 4.39Å; P234-D237 HydrophobicContact CG-CB 4.03Å; P234-D237 PolarHBondContact O-N 3.27Å; E235-D237 PolarHBondContact O-N 2.54Å; D237-F278 HydrophobicContact CB-CD1 4.41Å; D237-F278 WeakPolarHBondContact O-CE1 3.31Å; D237-N279 HydrophobicContact CB-CB 4.16Å; D237-N279 PolarHBondContact OD1-ND2 3.16Å; D237-K282 WeakPolarHBondContact OD1-CE 3.39Å; D237-K282 IonicContact OD1-NZ 3.85Å; D237-K282 PolarHBondContact OD1-NZ 3.18Å; D237-K282 IonicContact OD2-NZ 3.36Å; D237-K282 PolarHBondContact OD2-NZ 3.4Å
238W96.2Very high94.3Very high27 Ų2770.6 Ų70.610%0.10239%0.391CS..SBendtrans-81.6130.5178.9-158.6-89.8000111.1L187 F227 L232 P233 P234 E235 L244 R246 F249 F278L187-W238 HydrophobicContact CD1-CZ2 4.32Å; L187-W238 HydrophobicContact CD2-CH2 4.46Å; L187-W238 HydrophobicContact CD2-CZ2 3.93Å; F227-W238 HydrophobicContact CE1-CZ3 4.48Å; F227-W238 HydrophobicContact CE2-CH2 4.05Å; F227-W238 HydrophobicContact CE2-CZ3 4.1Å; F227-W238 AromaticContact CZ-CH2 3.82Å; F227-W238 HydrophobicContact CZ-CH2 3.82Å; F227-W238 AromaticContact CZ-CZ3 3.61Å; F227-W238 HydrophobicContact CZ-CZ3 3.61Å; L232-W238 HydrophobicContact CD1-CZ3 4.31Å; P233-W238 HydrophobicContact CG-CZ3 4.48Å; P234-W238 PolarHBondContact O-N 2.76Å; E235-W238 WeakPolarHBondContact O-CB 3.48Å; E235-W238 PolarHBondContact O-N 3.36Å; W238-L244 WeakPolarHBondContact CZ2-O 3.41Å; W238-L244 PolarHBondContact NE1-O 2.74Å; W238-R246 HydrophobicContact CB-CB 4.5Å; W238-R246 HydrophobicContact CD2-CB 3.54Å; W238-R246 HydrophobicContact CD2-CG 3.91Å; W238-R246 HydrophobicContact CE3-CB 3.91Å; W238-R246 HydrophobicContact CE3-CG 3.74Å; W238-R246 HydrophobicContact CG-CB 3.79Å; W238-R246 HydrophobicContact CG-CG 4.34Å; W238-R246 HydrophobicContact CZ2-CB 4.22Å; W238-R246 HydrophobicContact CZ3-CB 4.37Å; W238-R246 HydrophobicContact CZ3-CG 4.14Å; W238-F249 AromaticContact CH2-CD2 3.81Å; W238-F249 HydrophobicContact CH2-CD2 3.81Å; W238-F249 AromaticContact CH2-CE2 3.76Å; W238-F249 HydrophobicContact CH2-CE2 3.76Å; W238-F249 HydrophobicContact CZ2-CD2 4.4Å; W238-F249 HydrophobicContact CZ2-CE2 4.18Å; W238-F278 HydrophobicContact CD2-CZ 4.42Å; W238-F278 HydrophobicContact CE3-CE1 4.12Å; W238-F278 AromaticContact CE3-CZ 3.74Å; W238-F278 HydrophobicContact CE3-CZ 3.74Å; W238-F278 HydrophobicContact CH2-CZ 4.48Å; W238-F278 HydrophobicContact CZ3-CE2 4.25Å; W238-F278 AromaticContact CZ3-CZ 3.79Å; W238-F278 HydrophobicContact CZ3-CZ 3.79Å
239P92.6Very high94.3Very high34 Ų3468.2 Ų68.222%0.22138%0.378CS..  trans-66.3141179.427.3-34.7000111.6L187 V242L187-P239 HydrophobicContact CD1-CG 3.94Å; P239-V242 HydrophobicContact CB-CG1 3.79Å; P239-V242 HydrophobicContact CG-CB 4.33Å; P239-V242 HydrophobicContact CG-CG1 3.49Å; P239-V242 VanDerWaalsContact CG-CG1 3.49Å; P239-V242 HydrophobicContact CG-CG2 3.89Å
240R88.4Confident94.2Very high241 Ų24171.5 Ų71.591%0.90940%0.4SS*.SBendtrans-75.9-34.4-174.6-64.3-175.1-179-161.2-1.1113.8
241D86.1Confident94Very high163 Ų16375.9 Ų75.987%0.87243%0.43SS*.SBendtrans-105.245.9-169.8-56.7-45.6000112.6
242V90Very high93.8Very high27 Ų2778.7 Ų78.716%0.16444%0.44CS..  trans-117.4146.2178.9-60.30000111.8L187 P239 L244L187-V242 HydrophobicContact CB-CB 4.41Å; L187-V242 HydrophobicContact CB-CG1 4.04Å; L187-V242 WeakPolarHBondContact O-CG1 3.21Å; P239-V242 HydrophobicContact CB-CG1 3.79Å; P239-V242 HydrophobicContact CG-CB 4.33Å; P239-V242 HydrophobicContact CG-CG1 3.49Å; P239-V242 VanDerWaalsContact CG-CG1 3.49Å; P239-V242 HydrophobicContact CG-CG2 3.89Å; V242-L244 VanDerWaalsContact C-N 3.34Å; V242-L244 WeakPolarHBondContact CG2-O 3.17Å; V242-L244 PolarHBondContact O-N 2.98Å
243S89.4Confident93.7Very high103 Ų10380 Ų8072%0.7246%0.459SS*.SBendtrans-72.3-26.2-17856.40000113.6P245S243-P245 WeakPolarHBondContact O-CD 3.22Å
244L91.7Very high93.6Very high44 Ų4484.5 Ų84.523%0.2349%0.488CS..SBendtrans-97.6107.1-179.7-169.263.6000110.1L187 A220 L223 W238 V242 A248 F249L187-L244 HydrophobicContact CD2-CB 4Å; L187-L244 HydrophobicContact CD2-CD2 4.22Å; A220-L244 HydrophobicContact CB-CD2 4.44Å; L223-L244 HydrophobicContact CD1-CD2 3.65Å; W238-L244 WeakPolarHBondContact CZ2-O 3.41Å; W238-L244 PolarHBondContact NE1-O 2.74Å; V242-L244 VanDerWaalsContact C-N 3.34Å; V242-L244 WeakPolarHBondContact CG2-O 3.17Å; V242-L244 PolarHBondContact O-N 2.98Å; L244-A248 HydrophobicContact CD1-CB 4.13Å; L244-F249 HydrophobicContact CD2-CE2 3.78Å; L244-F249 HydrophobicContact CD2-CZ 3.6Å; L244-F249 HydrophobicContact CG-CE2 3.97Å; L244-F249 HydrophobicContact CG-CZ 4.27Å
245P93.1Very high93.6Very high79 Ų7988 Ų8851%0.51349%0.492SS..  trans-75.6150.9-175.130.5-35.4000111.9S243 G247 A248S243-P245 WeakPolarHBondContact O-CD 3.22Å; P245-G247 PolarHBondContact O-N 3.23Å; P245-A248 HydrophobicContact CG-CB 4.28Å; P245-A248 VanDerWaalsContact O-CB 3.24Å; P245-A248 WeakPolarHBondContact O-CB 3.24Å; P245-A248 PolarHBondContact O-N 3.44Å
246R95.5Very high93.7Very high78 Ų7884.9 Ų84.929%0.29448%0.484SS..G310 helixtrans-51.6-40.4174.4-172.8178.8172.4-81.8-4.8112.8L232 P233 W238 A248 F249L232-R246 HydrophobicContact CD1-CG 4.45Å; L232-R246 HydrophobicContact CD2-CG 4.45Å; P233-R246 VanDerWaalsContact O-CZ 3.32Å; P233-R246 PolarHBondContact O-NE 2.76Å; P233-R246 PolarHBondContact O-NH2 2.99Å; W238-R246 HydrophobicContact CB-CB 4.5Å; W238-R246 HydrophobicContact CD2-CB 3.54Å; W238-R246 HydrophobicContact CD2-CG 3.91Å; W238-R246 HydrophobicContact CE3-CB 3.91Å; W238-R246 HydrophobicContact CE3-CG 3.74Å; W238-R246 HydrophobicContact CG-CB 3.79Å; W238-R246 HydrophobicContact CG-CG 4.34Å; W238-R246 HydrophobicContact CZ2-CB 4.22Å; W238-R246 HydrophobicContact CZ3-CB 4.37Å; W238-R246 HydrophobicContact CZ3-CG 4.14Å; R246-A248 PolarHBondContact O-N 3.46Å; R246-A248 VanDerWaalsContact O-N 3.13Å; R246-F249 PolarHBondContact O-N 2.96Å; R246-F249 VanDerWaalsContact O-N 3.11Å
247G94.4Very high93.8Very high72 Ų7277.3 Ų77.374%0.74244%0.444SS*.G310 helixtrans-64.7-10.6-179.700000115P245 F249P245-G247 PolarHBondContact O-N 3.23Å; G247-F249 PolarHBondContact O-N 2.99Å
248A94.4Very high93.9Very high59 Ų5979.1 Ų79.149%0.48845%0.452SS..G310 helixtrans-70.4-13.4171.900000112.9L244 P245 R246L244-A248 HydrophobicContact CD1-CB 4.13Å; P245-A248 HydrophobicContact CG-CB 4.28Å; P245-A248 VanDerWaalsContact O-CB 3.24Å; P245-A248 WeakPolarHBondContact O-CB 3.24Å; P245-A248 PolarHBondContact O-N 3.44Å; R246-A248 PolarHBondContact O-N 3.46Å; R246-A248 VanDerWaalsContact O-N 3.13Å
249F96.6Very high93.9Very high17 Ų1781.3 Ų81.38%0.07547%0.471CS..SBendtrans-111.6135.3-177.7-61.4-84.5000111.5L223 F227 L232 W238 L244 R246 G247L223-F249 HydrophobicContact CB-CE1 3.66Å; L223-F249 HydrophobicContact CB-CZ 3.54Å; L223-F249 HydrophobicContact CD1-CE2 4.37Å; L223-F249 HydrophobicContact CD1-CZ 3.77Å; L223-F249 HydrophobicContact CG-CZ 4.3Å; F227-F249 HydrophobicContact CD2-CB 4.18Å; F227-F249 AromaticContact CD2-CD1 3.75Å; F227-F249 HydrophobicContact CD2-CD1 3.75Å; F227-F249 HydrophobicContact CD2-CD2 4.49Å; F227-F249 HydrophobicContact CD2-CE1 4.23Å; F227-F249 AromaticContact CD2-CG 3.89Å; F227-F249 HydrophobicContact CD2-CG 3.89Å; F227-F249 HydrophobicContact CE2-CB 4.27Å; F227-F249 AromaticContact CE2-CD1 3.73Å; F227-F249 HydrophobicContact CE2-CD1 3.73Å; F227-F249 AromaticContact CE2-CD2 3.81Å; F227-F249 HydrophobicContact CE2-CD2 3.81Å; F227-F249 AromaticContact CE2-CE1 3.93Å; F227-F249 HydrophobicContact CE2-CE1 3.93Å; F227-F249 HydrophobicContact CE2-CE2 4.01Å; F227-F249 AromaticContact CE2-CG 3.66Å; F227-F249 HydrophobicContact CE2-CG 3.66Å; F227-F249 HydrophobicContact CE2-CZ 4.05Å; L232-F249 HydrophobicContact CD1-CB 3.68Å; L232-F249 HydrophobicContact CD1-CG 4.41Å; W238-F249 AromaticContact CH2-CD2 3.81Å; W238-F249 HydrophobicContact CH2-CD2 3.81Å; W238-F249 AromaticContact CH2-CE2 3.76Å; W238-F249 HydrophobicContact CH2-CE2 3.76Å; W238-F249 HydrophobicContact CZ2-CD2 4.4Å; W238-F249 HydrophobicContact CZ2-CE2 4.18Å; L244-F249 HydrophobicContact CD2-CE2 3.78Å; L244-F249 HydrophobicContact CD2-CZ 3.6Å; L244-F249 HydrophobicContact CG-CE2 3.97Å; L244-F249 HydrophobicContact CG-CZ 4.27Å; R246-F249 PolarHBondContact O-N 2.96Å; R246-F249 VanDerWaalsContact O-N 3.11Å; G247-F249 PolarHBondContact O-N 2.99Å
250P94.9Very high94.1Very high77 Ų7781.8 Ų81.850%0.547%0.473SS..  trans-66.8142177.427-34.7000111R252P250-R252 VanDerWaalsContact CG-NH2 3.33Å; P250-R252 PolarHBondContact O-N 3.44Å; P250-R252 PolarHBondContact O-NE 3.25Å
251P93.9Very high94.5Very high122 Ų12270.4 Ų70.479%0.79243%0.431SS*.  trans-56.5130.9174-2332.7000111.5
252R93.8Very high94.9Very high62 Ų6267.5 Ų67.523%0.23442%0.42CS..  trans-152.3142.1177.559.5-172.690.6167.516.1110.8G224 F227 D228 G231 L232 P250G224-R252 PolarHBondContact O-NH1 3.32Å; F227-R252 VanDerWaalsContact C-CD 3.46Å; F227-R252 HydrophobicContact CB-CG 4.22Å; F227-R252 WeakPolarHBondContact O-CD 3.24Å; D228-R252 IonicContact OD1-CZ 3.44Å; D228-R252 IonicContact OD1-NH1 2.91Å; D228-R252 PolarHBondContact OD1-NH1 3.22Å; D228-R252 IonicContact OD2-NH1 2.81Å; G231-R252 WeakPolarHBondContact CA-O 3.41Å; L232-R252 HydrophobicContact CB-CG 4.25Å; L232-R252 PolarHBondContact N-O 3.28Å; P250-R252 VanDerWaalsContact CG-NH2 3.33Å; P250-R252 PolarHBondContact O-N 3.44Å; P250-R252 PolarHBondContact O-NE 3.25Å
253G95.8Very high95.1Very high49 Ų4971.9 Ų71.951%0.50544%0.439SS..  trans-86.1161.717700000112.6
254P96.4Very high95.5Very high104 Ų10467.2 Ų67.268%0.67541%0.406SS*.  trans-64.6152.9174.929.3-35.4000111.3
255R96.4Very high95.6Very high146 Ų14669.2 Ų69.255%0.55141%0.414SS*.  trans-114.8151.5173.3-62.2-175-173.6178.74.6110.5D228 L229 V257D228-R255 VanDerWaalsContact O-CD 3.26Å; D228-R255 WeakPolarHBondContact O-CD 3.39Å; D228-R255 PolarHBondContact O-NE 3.25Å; L229-R255 PolarHBondContact O-N 3.37Å; R255-V257 PolarHBondContact O-N 3.11Å
256P96.9Very high95.8Very high87 Ų8773.4 Ų73.457%0.56543%0.427SS*.  trans-58.2137.1172.9-2333.6000111.3Q258 S259P256-Q258 PolarHBondContact O-N 2.9Å; P256-S259 VanDerWaalsContact O-CB 3.27Å; P256-S259 WeakPolarHBondContact O-CB 3.48Å; P256-S259 PolarHBondContact O-N 3.35Å; P256-S259 PolarHBondContact O-OG 3.22Å
257V97.3Very high95.9Very high1 Ų171.1 Ų71.11%0.00642%0.423CS..G310 helixtrans-55.6-37.3176.8165.30000111.4R255 S259 V260 V261 M264 A269 L272 L273R255-V257 PolarHBondContact O-N 3.11Å; V257-S259 PolarHBondContact O-N 3.13Å; V257-V260 WeakPolarHBondContact O-CG2 3.29Å; V257-V260 PolarHBondContact O-N 3.13Å; V257-V261 HydrophobicContact CG1-CB 4.23Å; V257-V261 HydrophobicContact CG1-CG2 4.36Å; V257-V261 PolarHBondContact O-N 3.47Å; V257-M264 HydrophobicContact CG1-SD 3.66Å; V257-A269 HydrophobicContact CB-CB 3.81Å; V257-A269 HydrophobicContact CG1-CB 3.99Å; V257-A269 HydrophobicContact CG2-CB 4.18Å; V257-L272 HydrophobicContact CG1-CD2 3.61Å; V257-L272 HydrophobicContact CG2-CD2 4.13Å; V257-L273 HydrophobicContact CG2-CD1 4.1Å; V257-L273 HydrophobicContact CG2-CD2 3.81Å; V257-L273 HydrophobicContact CG2-CG 3.71Å
258Q97.4Very high96Very high70 Ų7067.7 Ų67.733%0.32739%0.388SS..G310 helixtrans-60.9-19.2-179.9-64.881-100113P256 V260 V261 P262P256-Q258 PolarHBondContact O-N 2.9Å; Q258-V260 PolarHBondContact O-N 3.29Å; Q258-V261 WeakPolarHBondContact CA-O 3.26Å; Q258-P262 WeakPolarHBondContact O-CA 3.47Å
259S96.4Very high96.2Very high72 Ų7265.2 Ų65.250%0.50337%0.367SS..G310 helixtrans-65.9-23.5172.669.80000113.4P256 V257P256-S259 VanDerWaalsContact O-CB 3.27Å; P256-S259 WeakPolarHBondContact O-CB 3.48Å; P256-S259 PolarHBondContact O-N 3.35Å; P256-S259 PolarHBondContact O-OG 3.22Å; V257-S259 PolarHBondContact O-N 3.13Å
260V96.5Very high96.3Very high45 Ų4569.3 Ų69.327%0.27339%0.386SS..THydrogen-bonded Turntrans-118.2-21.2178.5-66.50000113.2R209 L213 L229 V257 Q258R209-V260 VanDerWaalsContact CD-O 3.26Å; R209-V260 WeakPolarHBondContact CD-O 3.25Å; R209-V260 WeakPolarHBondContact CG-O 3.18Å; R209-V260 PolarHBondContact NE-O 3.37Å; L213-V260 HydrophobicContact CD1-CG2 4.19Å; L229-V260 HydrophobicContact CD1-CG1 4.43Å; L229-V260 HydrophobicContact CD1-CG2 3.63Å; L229-V260 HydrophobicContact CD2-CG2 4.12Å; V257-V260 WeakPolarHBondContact O-CG2 3.29Å; V257-V260 PolarHBondContact O-N 3.13Å; Q258-V260 PolarHBondContact O-N 3.29Å
261V96.6Very high96.5Very high2 Ų265.6 Ų65.61%0.01236%0.362CS..  trans-131.277.8173.7-164.30000110.4A205 F208 R209 V257 Q258 E263 M264A205-V261 HydrophobicContact CB-CG2 4.03Å; F208-V261 HydrophobicContact CB-CG1 3.33Å; F208-V261 HydrophobicContact CD1-CG1 4.28Å; F208-V261 HydrophobicContact CD2-CG1 4.08Å; F208-V261 HydrophobicContact CG-CG1 3.66Å; R209-V261 HydrophobicContact CG-CG2 3.96Å; V257-V261 HydrophobicContact CG1-CB 4.23Å; V257-V261 HydrophobicContact CG1-CG2 4.36Å; V257-V261 PolarHBondContact O-N 3.47Å; Q258-V261 WeakPolarHBondContact CA-O 3.26Å; V261-E263 PolarHBondContact O-N 2.84Å; V261-M264 HydrophobicContact CB-CB 4.11Å; V261-M264 HydrophobicContact CG1-CB 3.74Å; V261-M264 HydrophobicContact CG1-CE 4.18Å; V261-M264 PolarHBondContact O-N 2.86Å
262P95.9Very high96.7Very high101 Ų10159.8 Ų59.866%0.65633%0.325SS*.THydrogen-bonded Turntrans-61.6-27.7-171.9-24.634.6000115Q258 M264Q258-P262 WeakPolarHBondContact O-CA 3.47Å; P262-M264 VanDerWaalsContact C-N 3.32Å
263E94.8Very high96.9Very high119 Ų11960.3 Ų60.356%0.55633%0.332SS*.THydrogen-bonded Turntrans-82.4-7.9-176.6-64.3170.1-115.800113.5F208 V261F208-E263 HydrophobicContact CD1-CB 4.13Å; V261-E263 PolarHBondContact O-N 2.84Å
264M95.9Very high97.1Very high6 Ų660.5 Ų60.53%0.0332%0.319CS..  trans-81.1123.2-176.1-175.6172.9-78.500111.2F204 F208 V257 V261 P262 A269 L272F204-M264 HydrophobicContact CD1-CE 4.17Å; F204-M264 HydrophobicContact CD2-CE 4.35Å; F204-M264 HydrophobicContact CE1-CE 3.75Å; F204-M264 HydrophobicContact CE1-SD 4.37Å; F204-M264 HydrophobicContact CE2-CE 3.99Å; F204-M264 HydrophobicContact CG-CE 4.43Å; F204-M264 HydrophobicContact CZ-CE 3.64Å; F204-M264 HydrophobicContact CZ-SD 4.48Å; F208-M264 HydrophobicContact CD2-CE 3.52Å; F208-M264 HydrophobicContact CE2-CE 3.38Å; F208-M264 HydrophobicContact CG-CE 4.48Å; F208-M264 HydrophobicContact CZ-CE 4.25Å; V257-M264 HydrophobicContact CG1-SD 3.66Å; V261-M264 HydrophobicContact CB-CB 4.11Å; V261-M264 HydrophobicContact CG1-CB 3.74Å; V261-M264 HydrophobicContact CG1-CE 4.18Å; V261-M264 PolarHBondContact O-N 2.86Å; P262-M264 VanDerWaalsContact C-N 3.32Å; M264-A269 HydrophobicContact CG-CB 4.36Å; M264-A269 HydrophobicContact SD-CB 4.31Å; M264-A269 PolarHBondContact SD-N 3.49Å; M264-L272 HydrophobicContact CE-CD2 4.18Å; M264-L272 HydrophobicContact SD-CB 4.12Å; M264-L272 HydrophobicContact SD-CD2 3.91Å
265E95.4Very high97.2Very high86 Ų8655.6 Ų55.640%0.40229%0.287SS..  trans-65.7164.3174.471.2-172.8175.100112.5K118 S267 G268 A269 Y294K118-E265 WeakPolarHBondContact CE-OE1 3Å; K118-E265 IonicContact NZ-OE1 2.63Å; K118-E265 PolarHBondContact NZ-OE1 3.2Å; K118-E265 IonicContact NZ-OE2 2.72Å; E265-S267 PolarHBondContact O-N 2.83Å; E265-S267 PolarHBondContact OE1-OG 3.37Å; E265-G268 PolarHBondContact O-N 2.82Å; E265-G268 VanDerWaalsContact O-N 3.1Å; E265-A269 PolarHBondContact O-N 3.01Å; E265-Y294 HydrophobicContact CG-CD2 3.97Å; E265-Y294 HydrophobicContact CG-CE2 3.77Å; E265-Y294 WeakPolarHBondContact OE1-CD2 3.07Å; E265-Y294 WeakPolarHBondContact OE1-CE2 3.04Å
266E96.3Very high97.3Very high166 Ų16648.7 Ų48.778%0.77626%0.262SS*.Hα-helixtrans-58.2-45.9-173.5-64.8-174.2169.700113.3G268 A269 Q270E266-G268 VanDerWaalsContact C-N 3.3Å; E266-G268 PolarHBondContact O-N 2.98Å; E266-A269 WeakPolarHBondContact O-CB 3.41Å; E266-A269 PolarHBondContact O-N 3.05Å; E266-Q270 PolarHBondContact O-N 2.91Å
267S97.2Very high97.4Very high31 Ų3146.5 Ų46.522%0.21725%0.246CC..Hα-helixtrans-65.1-34.3177.959.60000112E265 L271 H292E265-S267 PolarHBondContact O-N 2.83Å; E265-S267 PolarHBondContact OE1-OG 3.37Å; S267-L271 PolarHBondContact O-N 3.41Å; S267-H292 PolarHBondContact O-CE1 3.22Å
268G97.9Very high97.5Very high0 Ų047.3 Ų47.30%025%0.25CC..Hα-helixtrans-67.1-42.5173.500000112E265 E266 Q270 L271 L272E265-G268 PolarHBondContact O-N 2.82Å; E265-G268 VanDerWaalsContact O-N 3.1Å; E266-G268 VanDerWaalsContact C-N 3.3Å; E266-G268 PolarHBondContact O-N 2.98Å; G268-Q270 VanDerWaalsContact C-N 3.34Å; G268-Q270 PolarHBondContact O-N 3.5Å; G268-L271 PolarHBondContact O-N 2.9Å; G268-L272 WeakPolarHBondContact O-CB 3.5Å; G268-L272 PolarHBondContact O-N 3.14Å
269A98.3Very high97.4Very high6 Ų645 Ų455%0.0524%0.24CC..Hα-helixtrans-63.7-40176.300000111.9V257 M264 E265 E266 L272 L273V257-A269 HydrophobicContact CB-CB 3.81Å; V257-A269 HydrophobicContact CG1-CB 3.99Å; V257-A269 HydrophobicContact CG2-CB 4.18Å; M264-A269 HydrophobicContact CG-CB 4.36Å; M264-A269 HydrophobicContact SD-CB 4.31Å; M264-A269 PolarHBondContact SD-N 3.49Å; E265-A269 PolarHBondContact O-N 3.01Å; E266-A269 WeakPolarHBondContact O-CB 3.41Å; E266-A269 PolarHBondContact O-N 3.05Å; A269-L272 PolarHBondContact O-N 3.5Å; A269-L273 WeakPolarHBondContact O-CG 3.45Å; A269-L273 PolarHBondContact O-N 3.1Å
270Q98.3Very high97.4Very high103 Ų10343.2 Ų43.248%0.48123%0.227SC..Hα-helixtrans-61.5-52.2173.8-178.4179.6-11.600111.3E266 G268 L272 L273 E274E266-Q270 PolarHBondContact O-N 2.91Å; G268-Q270 VanDerWaalsContact C-N 3.34Å; G268-Q270 PolarHBondContact O-N 3.5Å; Q270-L272 VanDerWaalsContact C-N 3.25Å; Q270-L272 PolarHBondContact O-N 3.22Å; Q270-L273 PolarHBondContact O-N 3.37Å; Q270-L273 VanDerWaalsContact O-N 3.07Å; Q270-E274 WeakPolarHBondContact CG-OE1 3.42Å; Q270-E274 PolarHBondContact NE2-OE1 2.97Å; Q270-E274 WeakPolarHBondContact O-CG 3.45Å; Q270-E274 PolarHBondContact O-N 3.24Å
271L98.8Very high97.3Very high0 Ų049.6 Ų49.60%025%0.253CS..Hα-helixtrans-57.1-41.2178.1-178.956.8000111.7S267 G268 L273 E274 M275 I284 A289 H292 Y294 L295S267-L271 PolarHBondContact O-N 3.41Å; G268-L271 PolarHBondContact O-N 2.9Å; L271-L273 PolarHBondContact O-N 2.86Å; L271-E274 PolarHBondContact O-N 3.45Å; L271-M275 HydrophobicContact CD1-CE 3.79Å; L271-M275 HydrophobicContact CD2-CE 3.98Å; L271-M275 HydrophobicContact CG-CE 3.7Å; L271-M275 HydrophobicContact CG-SD 4.43Å; L271-M275 WeakPolarHBondContact O-CG 3.36Å; L271-M275 PolarHBondContact O-N 3.35Å; L271-I284 HydrophobicContact CD1-CD1 4.13Å; L271-A289 HydrophobicContact CD1-CB 4.08Å; L271-H292 HydrophobicContact CD1-CB 3.8Å; L271-H292 HydrophobicContact CD2-CB 4.27Å; L271-Y294 HydrophobicContact CD2-CD1 3.77Å; L271-Y294 HydrophobicContact CD2-CG 4.32Å; L271-L295 HydrophobicContact CD2-CD1 4.18Å; L271-L295 HydrophobicContact CD2-CG 4.12Å
272L98.8Very high97.4Very high0 Ų055.6 Ų55.60%028%0.279CS..Hα-helixtrans-60.9-43.7176.7179.362.9000111.8G201 F204 A205 V257 M264 G268 A269 Q270 M275 L276G201-L272 WeakPolarHBondContact O-CD1 3.42Å; F204-L272 HydrophobicContact CB-CD1 4.41Å; F204-L272 HydrophobicContact CD1-CB 4.03Å; F204-L272 HydrophobicContact CD1-CD1 3.92Å; F204-L272 HydrophobicContact CE1-CB 4.06Å; A205-L272 HydrophobicContact CB-CD1 4.26Å; A205-L272 HydrophobicContact CB-CD2 4.03Å; V257-L272 HydrophobicContact CG1-CD2 3.61Å; V257-L272 HydrophobicContact CG2-CD2 4.13Å; M264-L272 HydrophobicContact CE-CD2 4.18Å; M264-L272 HydrophobicContact SD-CB 4.12Å; M264-L272 HydrophobicContact SD-CD2 3.91Å; G268-L272 WeakPolarHBondContact O-CB 3.5Å; G268-L272 PolarHBondContact O-N 3.14Å; A269-L272 PolarHBondContact O-N 3.5Å; Q270-L272 VanDerWaalsContact C-N 3.25Å; Q270-L272 PolarHBondContact O-N 3.22Å; L272-M275 WeakPolarHBondContact O-CB 3.47Å; L272-M275 PolarHBondContact O-N 2.91Å; L272-L276 HydrophobicContact CD1-CD1 3.74Å; L272-L276 HydrophobicContact CD1-CG 4.02Å; L272-L276 HydrophobicContact CD2-CD1 4.47Å; L272-L276 HydrophobicContact CG-CD1 3.9Å; L272-L276 HydrophobicContact CG-CG 4.41Å; L272-L276 WeakPolarHBondContact O-CB 3.4Å; L272-L276 WeakPolarHBondContact O-CG 3.49Å; L272-L276 PolarHBondContact O-N 2.92Å
273L98.6Very high97.5Very high72 Ų7251.5 Ų51.538%0.37725%0.25SS..Hα-helixtrans-68-35.1177.7-70.2174.1000112.4V257 A269 Q270 L271 M275 L276 T277V257-L273 HydrophobicContact CG2-CD1 4.1Å; V257-L273 HydrophobicContact CG2-CD2 3.81Å; V257-L273 HydrophobicContact CG2-CG 3.71Å; A269-L273 WeakPolarHBondContact O-CG 3.45Å; A269-L273 PolarHBondContact O-N 3.1Å; Q270-L273 PolarHBondContact O-N 3.37Å; Q270-L273 VanDerWaalsContact O-N 3.07Å; L271-L273 PolarHBondContact O-N 2.86Å; L273-M275 VanDerWaalsContact C-N 3.3Å; L273-M275 PolarHBondContact O-N 3.49Å; L273-L276 CarbonylContact O-C 3.53Å; L273-L276 PolarHBondContact O-N 3.18Å; L273-T277 PolarHBondContact O-N 3.05Å; L273-T277 PolarHBondContact O-OG1 3.42Å
274E98.8Very high97.7Very high54 Ų5446.7 Ų46.725%0.25223%0.228SC..Hα-helixtrans-64.2-35.3173.4-69.7177.1-172.900111.9Q270 L271 T277 I284 H292Q270-E274 WeakPolarHBondContact CG-OE1 3.42Å; Q270-E274 PolarHBondContact NE2-OE1 2.97Å; Q270-E274 WeakPolarHBondContact O-CG 3.45Å; Q270-E274 PolarHBondContact O-N 3.24Å; L271-E274 PolarHBondContact O-N 3.45Å; E274-T277 PolarHBondContact O-OG1 3.28Å; E274-I284 HydrophobicContact CB-CB 4.07Å; E274-I284 HydrophobicContact CB-CD1 4.43Å; E274-I284 HydrophobicContact CB-CG2 3.96Å; E274-I284 WeakPolarHBondContact O-CG2 3.28Å; E274-I284 PolarHBondContact O-N 3.29Å; E274-I284 VanDerWaalsContact OE2-CD1 3.27Å; E274-I284 WeakPolarHBondContact OE2-CD1 3.37Å; E274-H292 IonicContact OE1-NE2 2.9Å; E274-H292 IonicContact OE2-CD2 3.58Å; E274-H292 PolarHBondContact OE2-CD2 3.48Å; E274-H292 IonicContact OE2-NE2 2.91Å
275M98.8Very high97.8Very high0 Ų048.8 Ų48.80%024%0.244CC..Hα-helixtrans-71.7-39.6171.2-68.2174.217900112.7M121 L125 M197 V200 F204 L271 L272 L273 T277 R283 I284 A289M121-M275 HydrophobicContact CE-CE 3.71Å; M121-M275 HydrophobicContact CE-SD 4.16Å; L125-M275 HydrophobicContact CD1-CE 3.96Å; L125-M275 HydrophobicContact CD2-CE 4.23Å; M197-M275 HydrophobicContact CE-CE 4.29Å; M197-M275 HydrophobicContact CE-CG 4.11Å; V200-M275 HydrophobicContact CG1-CE 3.94Å; V200-M275 HydrophobicContact CG1-SD 3.75Å; F204-M275 HydrophobicContact CD1-SD 4.26Å; L271-M275 HydrophobicContact CD1-CE 3.79Å; L271-M275 HydrophobicContact CD2-CE 3.98Å; L271-M275 HydrophobicContact CG-CE 3.7Å; L271-M275 HydrophobicContact CG-SD 4.43Å; L271-M275 WeakPolarHBondContact O-CG 3.36Å; L271-M275 PolarHBondContact O-N 3.35Å; L272-M275 WeakPolarHBondContact O-CB 3.47Å; L272-M275 PolarHBondContact O-N 2.91Å; L273-M275 VanDerWaalsContact C-N 3.3Å; L273-M275 PolarHBondContact O-N 3.49Å; M275-T277 VanDerWaalsContact C-N 3.26Å; M275-T277 PolarHBondContact O-N 3.03Å; M275-R283 WeakPolarHBondContact O-CD 3.22Å; M275-R283 VanDerWaalsContact O-CG 3.28Å; M275-R283 WeakPolarHBondContact O-CG 3.37Å; M275-I284 HydrophobicContact CB-CG2 4.45Å; M275-I284 HydrophobicContact CG-CG2 3.79Å; M275-A289 HydrophobicContact CE-CB 4.02Å
276L98.8Very high98Very high2 Ų244.8 Ų44.81%0.0123%0.225CC..THydrogen-bonded Turntrans-90.323-179.4-62.4-178.8000113.3W198 L213 F214 L229 I230 L272 L273 F278W198-L276 HydrophobicContact CD2-CD2 3.98Å; W198-L276 HydrophobicContact CE3-CD2 4.13Å; W198-L276 HydrophobicContact CH2-CB 4.37Å; W198-L276 HydrophobicContact CH2-CD2 4.22Å; W198-L276 HydrophobicContact CZ2-CD2 4.08Å; W198-L276 HydrophobicContact CZ3-CB 4.18Å; W198-L276 HydrophobicContact CZ3-CD2 4.28Å; W198-L276 VanDerWaalsContact CZ3-O 3.22Å; W198-L276 WeakPolarHBondContact CZ3-O 3.3Å; L213-L276 HydrophobicContact CD2-CD1 3.61Å; F214-L276 HydrophobicContact CE2-CD1 4.29Å; F214-L276 HydrophobicContact CE2-CD2 4.37Å; F214-L276 HydrophobicContact CZ-CD1 4.35Å; L229-L276 HydrophobicContact CD2-CD1 4.32Å; I230-L276 HydrophobicContact CG2-CB 4.22Å; L272-L276 HydrophobicContact CD1-CD1 3.74Å; L272-L276 HydrophobicContact CD1-CG 4.02Å; L272-L276 HydrophobicContact CD2-CD1 4.47Å; L272-L276 HydrophobicContact CG-CD1 3.9Å; L272-L276 HydrophobicContact CG-CG 4.41Å; L272-L276 WeakPolarHBondContact O-CB 3.4Å; L272-L276 WeakPolarHBondContact O-CG 3.49Å; L272-L276 PolarHBondContact O-N 2.92Å; L273-L276 CarbonylContact O-C 3.53Å; L273-L276 PolarHBondContact O-N 3.18Å; L276-F278 PolarHBondContact O-N 2.74Å
277T98.7Very high98.1Very high40 Ų4042 Ų4225%0.24521%0.211CC..  trans-69.9126.2174.2-67.80000110L273 E274 M275 K282 R283L273-T277 PolarHBondContact O-N 3.05Å; L273-T277 PolarHBondContact O-OG1 3.42Å; E274-T277 PolarHBondContact O-OG1 3.28Å; M275-T277 VanDerWaalsContact C-N 3.26Å; M275-T277 PolarHBondContact O-N 3.03Å; T277-K282 HydrophobicContact CG2-CB 3.75Å; T277-R283 PolarHBondContact O-NE 2.96Å; T277-R283 PolarHBondContact O-NH2 3.27Å
278F98.4Very high98.1Very high18 Ų1848.7 Ų48.78%0.07923%0.231CC..SBendtrans-59.9-53.6-175.6-179.9-96.1000112.4P183 L187 F227 I230 P233 D237 W238 L276 P280 R283P183-F278 HydrophobicContact CB-CD2 3.55Å; P183-F278 HydrophobicContact CB-CE2 3.41Å; P183-F278 VanDerWaalsContact CB-CE2 3.41Å; P183-F278 HydrophobicContact CB-CZ 4.34Å; P183-F278 HydrophobicContact CG-CD2 3.74Å; P183-F278 HydrophobicContact CG-CE2 4.13Å; L187-F278 HydrophobicContact CD1-CE2 4.3Å; L187-F278 HydrophobicContact CD1-CZ 3.82Å; F227-F278 AromaticContact CE1-CD2 3.85Å; F227-F278 HydrophobicContact CE1-CD2 3.85Å; F227-F278 AromaticContact CE1-CE2 3.72Å; F227-F278 HydrophobicContact CE1-CE2 3.72Å; F227-F278 HydrophobicContact CZ-CD2 4.47Å; F227-F278 AromaticContact CZ-CE2 3.89Å; F227-F278 HydrophobicContact CZ-CE2 3.89Å; I230-F278 HydrophobicContact CD1-CB 4.02Å; P233-F278 HydrophobicContact CB-CB 4.33Å; P233-F278 HydrophobicContact CB-CD1 3.65Å; P233-F278 HydrophobicContact CB-CE1 3.99Å; P233-F278 HydrophobicContact CB-CG 3.93Å; P233-F278 HydrophobicContact CG-CB 3.75Å; P233-F278 HydrophobicContact CG-CD1 3.46Å; P233-F278 VanDerWaalsContact CG-CD1 3.46Å; P233-F278 HydrophobicContact CG-CD2 3.45Å; P233-F278 VanDerWaalsContact CG-CD2 3.45Å; P233-F278 HydrophobicContact CG-CE1 3.8Å; P233-F278 HydrophobicContact CG-CE2 3.78Å; P233-F278 HydrophobicContact CG-CG 3.26Å; P233-F278 HydrophobicContact CG-CZ 3.95Å; D237-F278 HydrophobicContact CB-CD1 4.41Å; D237-F278 WeakPolarHBondContact O-CE1 3.31Å; W238-F278 HydrophobicContact CD2-CZ 4.42Å; W238-F278 HydrophobicContact CE3-CE1 4.12Å; W238-F278 AromaticContact CE3-CZ 3.74Å; W238-F278 HydrophobicContact CE3-CZ 3.74Å; W238-F278 HydrophobicContact CH2-CZ 4.48Å; W238-F278 HydrophobicContact CZ3-CE2 4.25Å; W238-F278 AromaticContact CZ3-CZ 3.79Å; W238-F278 HydrophobicContact CZ3-CZ 3.79Å; L276-F278 PolarHBondContact O-N 2.74Å; F278-P280 WeakPolarHBondContact O-CD 3.3Å; F278-R283 PolarHBondContact O-NH2 3.23Å
279N97.1Very high98.1Very high23 Ų2348.7 Ų48.712%0.12323%0.231CC..SBendtrans-69.3115.6179.6-177-22.7000110D237 H281 K282 R283D237-N279 HydrophobicContact CB-CB 4.16Å; D237-N279 PolarHBondContact OD1-ND2 3.16Å; N279-H281 PolarHBondContact O-N 3.39Å; N279-H281 VanDerWaalsContact O-N 3.13Å; N279-H281 WeakPolarHBondContact OD1-CB 3.32Å; N279-H281 PolarHBondContact OD1-CD2 3.48Å; N279-H281 PolarHBondContact OD1-N 3.16Å; N279-K282 HydrophobicContact CB-CB 4.35Å; N279-K282 HydrophobicContact CB-CD 4.1Å; N279-K282 HydrophobicContact CB-CG 4.23Å; N279-K282 PolarHBondContact O-N 2.93Å; N279-R283 PolarHBondContact O-N 2.91Å
280P95.2Very high98.1Very high34 Ų3450 Ų5022%0.22124%0.237CC..THydrogen-bonded Turntrans-63.1-22.6-175.925.8-34.9000113.6P194 F278 K282P194-P280 HydrophobicContact CB-CB 3.86Å; P194-P280 HydrophobicContact CG-CB 4.23Å; F278-P280 WeakPolarHBondContact O-CD 3.3Å; P280-K282 VanDerWaalsContact C-N 3.32Å
281H95.6Very high98.1Very high178 Ų17850.2 Ų50.282%0.82424%0.238SC*.THydrogen-bonded Turntrans-75.8-21.2176.4-60.8-67.8000113.4N279N279-H281 PolarHBondContact O-N 3.39Å; N279-H281 VanDerWaalsContact O-N 3.13Å; N279-H281 WeakPolarHBondContact OD1-CB 3.32Å; N279-H281 PolarHBondContact OD1-CD2 3.48Å; N279-H281 PolarHBondContact OD1-N 3.16Å
282K97.9Very high98Very high128 Ų12851.1 Ų51.156%0.55724%0.242SC*.THydrogen-bonded Turntrans-97.6-11.6177-61.9178-176.4167.70112.2D237 T277 N279 P280D237-K282 WeakPolarHBondContact OD1-CE 3.39Å; D237-K282 IonicContact OD1-NZ 3.85Å; D237-K282 PolarHBondContact OD1-NZ 3.18Å; D237-K282 IonicContact OD2-NZ 3.36Å; D237-K282 PolarHBondContact OD2-NZ 3.4Å; T277-K282 HydrophobicContact CG2-CB 3.75Å; N279-K282 HydrophobicContact CB-CB 4.35Å; N279-K282 HydrophobicContact CB-CD 4.1Å; N279-K282 HydrophobicContact CB-CG 4.23Å; N279-K282 PolarHBondContact O-N 2.93Å; P280-K282 VanDerWaalsContact C-N 3.32Å
283R98.4Very high97.9Very high16 Ų1654.7 Ų54.76%0.0627%0.267CS..SBendtrans-70137.8-177.7-164.1179-61.9150.76.6111E184 P194 M197 M275 T277 F278 N279E184-R283 IonicContact OE1-CZ 2.74Å; E184-R283 IonicContact OE1-NH1 3.58Å; E184-R283 PolarHBondContact OE1-NH1 3.26Å; E184-R283 IonicContact OE1-NH2 2.71Å; E184-R283 PolarHBondContact OE1-NH2 3.17Å; E184-R283 IonicContact OE2-CZ 3.74Å; E184-R283 IonicContact OE2-NH1 3.07Å; E184-R283 PolarHBondContact OE2-NH1 3.08Å; E184-R283 IonicContact OE2-NH2 3.51Å; E184-R283 PolarHBondContact OE2-NH2 3.37Å; P194-R283 VanDerWaalsContact C-NH1 3.29Å; P194-R283 WeakPolarHBondContact O-CD 3.29Å; P194-R283 PolarHBondContact O-NH1 3.08Å; M197-R283 HydrophobicContact CB-CG 4.35Å; M275-R283 WeakPolarHBondContact O-CD 3.22Å; M275-R283 VanDerWaalsContact O-CG 3.28Å; M275-R283 WeakPolarHBondContact O-CG 3.37Å; T277-R283 PolarHBondContact O-NE 2.96Å; T277-R283 PolarHBondContact O-NH2 3.27Å; F278-R283 PolarHBondContact O-NH2 3.23Å; N279-R283 PolarHBondContact O-N 2.91Å
284I98.7Very high97.8Very high18 Ų1851.7 Ų51.79%0.09225%0.251CS..PPolyproline II helixtrans-62.9139.1-179.7-166.9165.3000111.5M197 L271 E274 M275 R288 A289M197-I284 HydrophobicContact CE-CG2 4.06Å; M197-I284 VanDerWaalsContact CG-O 3.3Å; M197-I284 WeakPolarHBondContact CG-O 3.22Å; L271-I284 HydrophobicContact CD1-CD1 4.13Å; E274-I284 HydrophobicContact CB-CB 4.07Å; E274-I284 HydrophobicContact CB-CD1 4.43Å; E274-I284 HydrophobicContact CB-CG2 3.96Å; E274-I284 WeakPolarHBondContact O-CG2 3.28Å; E274-I284 PolarHBondContact O-N 3.29Å; E274-I284 VanDerWaalsContact OE2-CD1 3.27Å; E274-I284 WeakPolarHBondContact OE2-CD1 3.37Å; M275-I284 HydrophobicContact CB-CG2 4.45Å; M275-I284 HydrophobicContact CG-CG2 3.79Å; I284-R288 HydrophobicContact CD1-CB 4.04Å; I284-R288 HydrophobicContact CG1-CB 3.7Å; I284-A289 HydrophobicContact CD1-CB 3.99Å; I284-A289 HydrophobicContact CG1-CB 4.17Å; I284-A289 HydrophobicContact CG2-CB 4.4Å
285S98.7Very high97.5Very high50 Ų5049.3 Ų49.335%0.3524%0.24SC..PPolyproline II helixtrans-79.5157.6172.261.20000111.6F287 R288 A289S285-F287 VanDerWaalsContact C-N 3.34Å; S285-F287 PolarHBondContact O-N 3.39Å; S285-R288 PolarHBondContact O-N 3.41Å; S285-R288 WeakPolarHBondContact OG-CB 3.35Å; S285-R288 WeakPolarHBondContact OG-CG 3.22Å; S285-R288 PolarHBondContact OG-N 3.1Å; S285-A289 WeakPolarHBondContact O-CB 3.41Å; S285-A289 PolarHBondContact O-N 3.14Å
286A98.3Very high96.8Very high1 Ų154.4 Ų54.41%0.00826%0.264CS..Hα-helixtrans-53.4-47.2174.700000113L125 L128 D129 M197 R288 A289 L290L125-A286 HydrophobicContact CD2-CB 4.36Å; L128-A286 HydrophobicContact CB-CB 4.5Å; L128-A286 HydrophobicContact CG-CB 4.44Å; D129-A286 HydrophobicContact CB-CB 3.8Å; M197-A286 HydrophobicContact SD-CB 3.79Å; M197-A286 PolarHBondContact SD-N 3.07Å; M197-A286 VanDerWaalsContact SD-N 3.42Å; A286-R288 PolarHBondContact O-N 3.29Å; A286-A289 PolarHBondContact O-N 2.71Å; A286-L290 PolarHBondContact O-N 3.39Å
287F98.1Very high94.9Very high109 Ų10962 Ų6248%0.47830%0.296SS..Hα-helixtrans-53.2-53.9175.1-177.6-103.1000113.7D129 S285 A289 L290 Q291D129-F287 WeakPolarHBondContact OD1-CA 3.38Å; D129-F287 WeakPolarHBondContact OD1-CB 3.49Å; D129-F287 PolarHBondContact OD1-N 2.76Å; S285-F287 VanDerWaalsContact C-N 3.34Å; S285-F287 PolarHBondContact O-N 3.39Å; F287-A289 VanDerWaalsContact C-N 3.33Å; F287-A289 PolarHBondContact O-N 2.63Å; F287-L290 WeakPolarHBondContact O-CB 3.46Å; F287-L290 PolarHBondContact O-N 2.83Å; F287-Q291 VanDerWaalsContact CE1-NE2 3.29Å
288R98.4Very high92.7Very high171 Ų17167.7 Ų67.765%0.64533%0.325SS*.Hα-helixtrans-64.6-36.1178.3-71.1-178.1177.2175.2-0.2112.5I284 S285 A286 L290 Q291 H292I284-R288 HydrophobicContact CD1-CB 4.04Å; I284-R288 HydrophobicContact CG1-CB 3.7Å; S285-R288 PolarHBondContact O-N 3.41Å; S285-R288 WeakPolarHBondContact OG-CB 3.35Å; S285-R288 WeakPolarHBondContact OG-CG 3.22Å; S285-R288 PolarHBondContact OG-N 3.1Å; A286-R288 PolarHBondContact O-N 3.29Å; R288-L290 VanDerWaalsContact C-N 3.3Å; R288-L290 PolarHBondContact O-N 3.49Å; R288-Q291 WeakPolarHBondContact O-CB 3.46Å; R288-Q291 PolarHBondContact O-N 2.96Å; R288-H292 PolarHBondContact O-N 2.65Å
289A98.5Very high90.1Very high0 Ų075.6 Ų75.60%036%0.363CS..Hα-helixtrans-63.4-37.9177.400000111.6L125 M197 L271 M275 I284 S285 A286 F287 Q291 H292 L295L125-A289 HydrophobicContact CD1-CB 3.82Å; L125-A289 HydrophobicContact CD2-CB 4.04Å; M197-A289 HydrophobicContact CE-CB 4.06Å; L271-A289 HydrophobicContact CD1-CB 4.08Å; M275-A289 HydrophobicContact CE-CB 4.02Å; I284-A289 HydrophobicContact CD1-CB 3.99Å; I284-A289 HydrophobicContact CG1-CB 4.17Å; I284-A289 HydrophobicContact CG2-CB 4.4Å; S285-A289 WeakPolarHBondContact O-CB 3.41Å; S285-A289 PolarHBondContact O-N 3.14Å; A286-A289 PolarHBondContact O-N 2.71Å; F287-A289 VanDerWaalsContact C-N 3.33Å; F287-A289 PolarHBondContact O-N 2.63Å; A289-Q291 PolarHBondContact O-N 2.88Å; A289-H292 VanDerWaalsContact O-CB 3.22Å; A289-H292 WeakPolarHBondContact O-CB 3.27Å; A289-H292 PolarHBondContact O-N 3.46Å; A289-H292 VanDerWaalsContact O-N 3.08Å; A289-L295 WeakPolarHBondContact O-CD1 3.37Å
290L97.9Very high87.4Confident33 Ų3377.5 Ų77.517%0.17339%0.387CS..Hα-helixtrans-61-24.1173.3-73.7167.3000113.5R122 L125 R126 D129 A286 F287 R288 H296R122-L290 HydrophobicContact CG-CD2 4.23Å; R122-L290 WeakPolarHBondContact O-CD2 3.45Å; L125-L290 HydrophobicContact CB-CD1 4.46Å; L125-L290 HydrophobicContact CB-CD2 3.53Å; L125-L290 HydrophobicContact CB-CG 3.77Å; R126-L290 HydrophobicContact CG-CD1 4.15Å; R126-L290 HydrophobicContact CG-CD2 3.86Å; D129-L290 HydrophobicContact CB-CD1 4.1Å; A286-L290 PolarHBondContact O-N 3.39Å; F287-L290 WeakPolarHBondContact O-CB 3.46Å; F287-L290 PolarHBondContact O-N 2.83Å; R288-L290 VanDerWaalsContact C-N 3.3Å; R288-L290 PolarHBondContact O-N 3.49Å; L290-H296 PolarHBondContact O-NE2 3.35Å
291Q97Very high84.6Confident108 Ų10882.8 Ų82.851%0.50541%0.414SS..THydrogen-bonded Turntrans-92.3-1.4178.7-62.9178.2-19.900113.4F287 R288 A289 H296F287-Q291 VanDerWaalsContact CE1-NE2 3.29Å; R288-Q291 WeakPolarHBondContact O-CB 3.46Å; R288-Q291 PolarHBondContact O-N 2.96Å; A289-Q291 PolarHBondContact O-N 2.88Å; Q291-H296 VanDerWaalsContact C-CD2 3.46Å; Q291-H296 WeakPolarHBondContact CA-NE2 3.26Å; Q291-H296 PolarHBondContact O-CD2 3.06Å; Q291-H296 VanDerWaalsContact O-CD2 3.32Å
292H97.9Very high82Confident18 Ų1879.8 Ų79.88%0.08341%0.41CS..SBendtrans-69.6144.5-178.1-169.7-84000111.1S267 L271 E274 R288 A289 Y294 L295 H296S267-H292 PolarHBondContact O-CE1 3.22Å; L271-H292 HydrophobicContact CD1-CB 3.8Å; L271-H292 HydrophobicContact CD2-CB 4.27Å; E274-H292 IonicContact OE1-NE2 2.9Å; E274-H292 IonicContact OE2-CD2 3.58Å; E274-H292 PolarHBondContact OE2-CD2 3.48Å; E274-H292 IonicContact OE2-NE2 2.91Å; R288-H292 PolarHBondContact O-N 2.65Å; A289-H292 VanDerWaalsContact O-CB 3.22Å; A289-H292 WeakPolarHBondContact O-CB 3.27Å; A289-H292 PolarHBondContact O-N 3.46Å; A289-H292 VanDerWaalsContact O-N 3.08Å; H292-Y294 WeakPolarHBondContact ND1-CB 3.17Å; H292-Y294 PolarHBondContact ND1-N 2.91Å; H292-Y294 VanDerWaalsContact ND1-N 3.16Å; H292-Y294 PolarHBondContact O-N 2.85Å; H292-Y294 VanDerWaalsContact O-N 3.13Å; H292-L295 PolarHBondContact O-N 3.17Å; H292-H296 PolarHBondContact O-N 3.2Å
293S95.9Very high79.2Confident76 Ų7686.1 Ų86.153%0.53144%0.442SS..THydrogen-bonded Turntrans-52.7-37.8-177.855.50000113.1L295 H296S293-L295 PolarHBondContact O-N 2.63Å; S293-H296 PolarHBondContact O-N 3.01Å
294Y96.5Very high78.2Confident8 Ų889.7 Ų89.73%0.03146%0.461CS..THydrogen-bonded Turntrans-53.3-34.4174-176.4-106.4000114.7K118 F204 F208 E265 L271 H292K118-Y294 HydrophobicContact CD-CE2 4.29Å; K118-Y294 HydrophobicContact CG-CD1 4.39Å; K118-Y294 HydrophobicContact CG-CE1 3.64Å; K118-Y294 HydrophobicContact CG-CE2 4.05Å; K118-Y294 VanDerWaalsContact CG-CZ 3.44Å; K118-Y294 WeakPolarHBondContact CG-OH 3.26Å; F204-Y294 HydrophobicContact CE1-CE1 4.34Å; F204-Y294 AromaticContact CE2-CE1 3.64Å; F204-Y294 HydrophobicContact CE2-CE1 3.64Å; F204-Y294 AromaticContact CE2-CZ 3.93Å; F204-Y294 AromaticContact CZ-CD1 3.96Å; F204-Y294 HydrophobicContact CZ-CD1 3.96Å; F204-Y294 AromaticContact CZ-CE1 3.27Å; F204-Y294 HydrophobicContact CZ-CE1 3.27Å; F204-Y294 HydrophobicContact CZ-CE2 4.48Å; F204-Y294 AromaticContact CZ-CZ 3.59Å; F208-Y294 WeakPolarHBondContact CZ-OH 3.47Å; E265-Y294 HydrophobicContact CG-CD2 3.97Å; E265-Y294 HydrophobicContact CG-CE2 3.77Å; E265-Y294 WeakPolarHBondContact OE1-CD2 3.07Å; E265-Y294 WeakPolarHBondContact OE1-CE2 3.04Å; L271-Y294 HydrophobicContact CD2-CD1 3.77Å; L271-Y294 HydrophobicContact CD2-CG 4.32Å; H292-Y294 WeakPolarHBondContact ND1-CB 3.17Å; H292-Y294 PolarHBondContact ND1-N 2.91Å; H292-Y294 VanDerWaalsContact ND1-N 3.16Å; H292-Y294 PolarHBondContact O-N 2.85Å; H292-Y294 VanDerWaalsContact O-N 3.13Å
295L93.4Very high77.2Confident4 Ų493.4 Ų93.42%0.02148%0.48CS..THydrogen-bonded Turntrans-102.2-12-176.7-63.1-177.6000113.5M121 R122 L125 L271 A289 H292 S293M121-L295 HydrophobicContact CB-CD2 4.06Å; R122-L295 PolarHBondContact NE-O 3.23Å; R122-L295 PolarHBondContact NH2-O 3.34Å; L125-L295 HydrophobicContact CD1-CD1 3.41Å; L125-L295 VanDerWaalsContact CD1-CD1 3.41Å; L271-L295 HydrophobicContact CD2-CD1 4.18Å; L271-L295 HydrophobicContact CD2-CG 4.12Å; A289-L295 WeakPolarHBondContact O-CD1 3.37Å; H292-L295 PolarHBondContact O-N 3.17Å; S293-L295 PolarHBondContact O-N 2.63Å
296H82.7Confident76Confident108 Ų10895.8 Ų95.850%0.549%0.488SS..SBendtrans-83130.9166.2-84.2-83.1000109.2L290 Q291 H292 S293 D298L290-H296 PolarHBondContact O-NE2 3.35Å; Q291-H296 VanDerWaalsContact C-CD2 3.46Å; Q291-H296 WeakPolarHBondContact CA-NE2 3.26Å; Q291-H296 PolarHBondContact O-CD2 3.06Å; Q291-H296 VanDerWaalsContact O-CD2 3.32Å; H292-H296 PolarHBondContact O-N 3.2Å; S293-H296 PolarHBondContact O-N 3.01Å; H296-D298 PolarHBondContact O-N 3.4Å
297K59.9Low74.6Confident160 Ų160101.4 Ų101.470%0.69652%0.516SS*.  trans-67.9127.9161.3-74-176.6174.2-176.40105.6E299K297-E299 PolarHBondContact O-N 3.36Å
298D51.3Low73.2Confident160 Ų160100.9 Ų100.986%0.85652%0.518SS*.  trans-56.4102150.7-79.4-29000104.7H296 G300H296-D298 PolarHBondContact O-N 3.4Å; D298-G300 PolarHBondContact O-N 2.91Å
299E44.5Very low71.5Confident185 Ų18596.3 Ų96.386%0.86451%0.51SS*.  trans-6295.1159.1-71.3-169.1167.800104K297 N301K297-E299 PolarHBondContact O-N 3.36Å; E299-N301 PolarHBondContact O-N 2.9Å
300G41.6Very low69.6Low62 Ų62103.1 Ų103.164%0.63955%0.546SS*.  trans-45.4121.3175.800000107.6D298 P302D298-G300 PolarHBondContact O-N 2.91Å; G300-P302 WeakPolarHBondContact O-CD 3.33Å; G300-P302 VanDerWaalsContact O-N 3.1Å
301N35.3Very low67.4Low145 Ų145108.5 Ų108.578%0.77558%0.575SS**  trans-47.4121169.6-166.738.1000106.6E299 E303E299-N301 PolarHBondContact O-N 2.9Å; N301-E303 PolarHBondContact O-N 3.23Å
302P42Very low64.9Low115 Ų115108.6 Ų108.675%0.74758%0.581SS**  trans-63.9111.8176.924.5-29.2000107G300G300-P302 WeakPolarHBondContact O-CD 3.33Å; G300-P302 VanDerWaalsContact O-N 3.1Å
303E38.2Very low61.9Low262 Ų262116.8 Ų116.8100%1.22463%0.626SS**  trans-670157.4-74.4-169.5160.900110N301N301-E303 PolarHBondContact O-N 3.23Å

Retrieved 303 of 303 residues in 871 ms (Link to these results)

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