A0A087YAR6_POEFO Loading...

phosphorylase kinase

AlphaFold DB , UniProt , Accession A0A087YAR6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 390 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
1M32.4Very low33.9Very low238 Ų238151.3 Ų151.3100%1.17281%0.813SS**  096.90-79.3177.9-170.500107.5K3M1-K3 PolarHBondContact O-N 3.4Å
2T33.5Very low34.9Very low139 Ų139144.3 Ų144.385%0.85378%0.781SS**PPolyproline II helixtrans-60.2117.9164.733.40000108
3K30.7Very low36.2Very low197 Ų197141.2 Ų141.286%0.85776%0.764SS**PPolyproline II helixtrans-99.4119166.1-92.9-172.8172-175.90107.5M1 I5M1-K3 PolarHBondContact O-N 3.4Å; K3-I5 PolarHBondContact O-N 3.33Å
4D31.9Very low37.7Very low148 Ų148141.6 Ų141.679%0.79175%0.749SS**PPolyproline II helixtrans-51.7126174.8-58-61.3000110.8V6D4-V6 PolarHBondContact O-N 3.46Å
5I30.2Very low39.5Very low162 Ų162133.6 Ų133.683%0.83171%0.708SS**  trans-81.9103.8171-62.2172.5000106.2K3 L7K3-I5 PolarHBondContact O-N 3.33Å; I5-L7 PolarHBondContact O-N 3.13Å
6V29Very low41.6Very low116 Ų116125.4 Ų125.470%0.70367%0.665SS**  trans-67.4125.1169.4177.40000107.7D4 G8D4-V6 PolarHBondContact O-N 3.46Å; V6-G8 PolarHBondContact O-N 3.48Å; V6-G8 VanDerWaalsContact O-N 3.13Å
7L33.5Very low44Very low174 Ų174119.1 Ų119.191%0.91164%0.635SS**THydrogen-bonded Turntrans-59.7109.4168.1-9084.6000108.5I5I5-L7 PolarHBondContact O-N 3.13Å
8G32.3Very low46.3Very low66 Ų66118.1 Ų118.168%0.6862%0.624SS**THydrogen-bonded Turntrans173.2-20.617500000117.3V6V6-G8 PolarHBondContact O-N 3.48Å; V6-G8 VanDerWaalsContact O-N 3.13Å
9D34.2Very low48.7Very low153 Ų153116.7 Ų116.782%0.81861%0.614SS**  trans-102.2115.7-167-67.7-24.3000113.1L11D9-L11 PolarHBondContact O-N 3.35Å
10E44.2Very low50.9Low168 Ų168110.9 Ų110.979%0.78558%0.583SS**PPolyproline II helixtrans-50.9129.1163.5-68.8-176.1143.700109.8
11L41.3Very low52.9Low103 Ų103111 Ų11154%0.53958%0.577SS.*PPolyproline II helixtrans-59.5131.6177.4-72.9162.6000109.6D9 V15D9-L11 PolarHBondContact O-N 3.35Å; L11-V15 HydrophobicContact CB-CB 4.48Å; L11-V15 HydrophobicContact CD2-CG1 4.1Å
12P45.8Very low55.8Low67 Ų67105.1 Ų105.144%0.43555%0.546SS..PPolyproline II helixtrans-54.4145.1177-22.127000112.3W14 V15P12-W14 PolarHBondContact O-N 3.22Å; P12-V15 HydrophobicContact CB-CG2 4Å; P12-V15 HydrophobicContact CG-CG2 4Å; P12-V15 PolarHBondContact O-N 3.18Å
13D51.2Low58.8Low104 Ų104101.4 Ų101.456%0.55652%0.518SS*.THydrogen-bonded Turntrans-39.3-36.6-175-65.1-9.9000115.9S99 T100D13-S99 WeakPolarHBondContact O-CB 3.31Å; D13-T100 WeakPolarHBondContact CA-OG1 3.44Å; D13-T100 WeakPolarHBondContact CB-OG1 3.44Å; D13-T100 WeakPolarHBondContact OD1-CB 3.43Å; D13-T100 WeakPolarHBondContact OD1-CG2 3.47Å; D13-T100 PolarHBondContact OD1-OG1 2.89Å
14W57.9Low62Low148 Ų14892.1 Ų92.156%0.56148%0.478SS*.THydrogen-bonded Turntrans-87.6-15.6-17559.1-88.7000114.2P12 K18P12-W14 PolarHBondContact O-N 3.22Å; W14-K18 HydrophobicContact CE3-CB 4.22Å; W14-K18 HydrophobicContact CE3-CD 3.43Å; W14-K18 VanDerWaalsContact CE3-CD 3.43Å; W14-K18 HydrophobicContact CZ3-CD 3.48Å; W14-K18 VanDerWaalsContact CZ3-CD 3.48Å; W14-K18 WeakPolarHBondContact O-CA 3.37Å; W14-K18 WeakPolarHBondContact O-CB 3.47Å; W14-K18 PolarHBondContact O-N 3.3Å
15V64.7Low65Low21 Ų2187.3 Ų87.313%0.12745%0.452CS..Hα-helixtrans-69.1-57.9-167.7179.40000111.3L11 P12 A17 K18 E19L11-V15 HydrophobicContact CB-CB 4.48Å; L11-V15 HydrophobicContact CD2-CG1 4.1Å; P12-V15 HydrophobicContact CB-CG2 4Å; P12-V15 HydrophobicContact CG-CG2 4Å; P12-V15 PolarHBondContact O-N 3.18Å; V15-A17 VanDerWaalsContact C-N 3.35Å; V15-A17 PolarHBondContact O-N 2.86Å; V15-K18 PolarHBondContact O-N 3.37Å; V15-E19 HydrophobicContact CG1-CG 4.49Å; V15-E19 WeakPolarHBondContact O-CG 3.04Å; V15-E19 PolarHBondContact O-N 3.36Å
16G73Confident68Low2 Ų280.6 Ų80.62%0.02142%0.419CS..Hα-helixtrans-63.9-38.6-179.600000113.4F20 E98G16-F20 PolarHBondContact O-N 3.3Å; G16-E98 WeakPolarHBondContact CA-O 3.28Å
17A82Confident71.2Confident19 Ų1978.3 Ų78.316%0.15740%0.4CS..Hα-helixtrans-63.8-45.8174.500000111.3V15 F20 Y21 F104V15-A17 VanDerWaalsContact C-N 3.35Å; V15-A17 PolarHBondContact O-N 2.86Å; A17-F20 PolarHBondContact O-N 2.84Å; A17-Y21 HydrophobicContact CB-CE2 4.48Å; A17-Y21 WeakPolarHBondContact O-CD2 3.42Å; A17-Y21 PolarHBondContact O-N 2.88Å; A17-F104 HydrophobicContact CB-CE2 4.28Å
18K86.4Confident74Confident101 Ų10174.7 Ų74.744%0.43938%0.378SS..Hα-helixtrans-63.5-43.8178.8-177.8-176.6-179.7-177.90111.6W14 V15 F20 Y21 Q22W14-K18 HydrophobicContact CE3-CB 4.22Å; W14-K18 HydrophobicContact CE3-CD 3.43Å; W14-K18 VanDerWaalsContact CE3-CD 3.43Å; W14-K18 HydrophobicContact CZ3-CD 3.48Å; W14-K18 VanDerWaalsContact CZ3-CD 3.48Å; W14-K18 WeakPolarHBondContact O-CA 3.37Å; W14-K18 WeakPolarHBondContact O-CB 3.47Å; W14-K18 PolarHBondContact O-N 3.3Å; V15-K18 PolarHBondContact O-N 3.37Å; K18-F20 VanDerWaalsContact C-N 3.34Å; K18-F20 PolarHBondContact O-N 3.19Å; K18-Y21 PolarHBondContact O-N 3.46Å; K18-Q22 VanDerWaalsContact CE-NE2 3.3Å; K18-Q22 HydrophobicContact CG-CG 4.22Å; K18-Q22 VanDerWaalsContact O-CB 3.27Å; K18-Q22 WeakPolarHBondContact O-CB 3.18Å; K18-Q22 WeakPolarHBondContact O-CG 3.27Å; K18-Q22 PolarHBondContact O-N 3.15Å
19E90.3Very high76.8Confident91 Ų9174.3 Ų74.343%0.42536%0.362SS..Hα-helixtrans-59.4-45.1176.5-74.1178.9179.100111.6V15 Q22 K23 Y97V15-E19 HydrophobicContact CG1-CG 4.49Å; V15-E19 WeakPolarHBondContact O-CG 3.04Å; V15-E19 PolarHBondContact O-N 3.36Å; E19-Q22 PolarHBondContact O-N 3.16Å; E19-K23 PolarHBondContact O-N 3.3Å; E19-K23 VanDerWaalsContact O-N 3.16Å; E19-Y97 HydrophobicContact CB-CD1 3.79Å; E19-Y97 HydrophobicContact CB-CE1 3.83Å
20F93.5Very high79.4Confident0 Ų071.1 Ų71.10%034%0.344CS..Hα-helixtrans-58.2-53.7173.6171.9-98.9000111.5G16 A17 K18 Q22 K23 Y24 P26 V52 Y97 F104 V106G16-F20 PolarHBondContact O-N 3.3Å; A17-F20 PolarHBondContact O-N 2.84Å; K18-F20 VanDerWaalsContact C-N 3.34Å; K18-F20 PolarHBondContact O-N 3.19Å; F20-Q22 VanDerWaalsContact C-N 3.26Å; F20-Q22 PolarHBondContact O-N 2.84Å; F20-K23 PolarHBondContact O-N 3.39Å; F20-K23 VanDerWaalsContact O-N 3.15Å; F20-Y24 AromaticContact CD2-CD2 3.76Å; F20-Y24 HydrophobicContact CD2-CD2 3.76Å; F20-Y24 HydrophobicContact CD2-CG 4.28Å; F20-Y24 AromaticContact CE2-CD2 3.87Å; F20-Y24 HydrophobicContact CE2-CD2 3.87Å; F20-Y24 AromaticContact CE2-CG 3.95Å; F20-Y24 HydrophobicContact CE2-CG 3.95Å; F20-Y24 WeakPolarHBondContact O-CB 3.43Å; F20-Y24 PolarHBondContact O-N 2.68Å; F20-P26 HydrophobicContact CE1-CG 4.21Å; F20-V52 HydrophobicContact CD2-CG2 4.49Å; F20-V52 HydrophobicContact CE2-CB 4.13Å; F20-V52 HydrophobicContact CE2-CG1 4.4Å; F20-V52 HydrophobicContact CE2-CG2 3.65Å; F20-V52 HydrophobicContact CZ-CB 4.21Å; F20-V52 HydrophobicContact CZ-CG1 3.97Å; F20-V52 HydrophobicContact CZ-CG2 3.9Å; F20-Y97 HydrophobicContact CB-CD2 3.91Å; F20-Y97 HydrophobicContact CB-CE2 4.39Å; F20-Y97 HydrophobicContact CB-CG 4.03Å; F20-Y97 AromaticContact CD2-CD2 3.97Å; F20-Y97 HydrophobicContact CD2-CD2 3.97Å; F20-Y97 HydrophobicContact CD2-CE2 4.17Å; F20-Y97 HydrophobicContact CG-CD2 4.43Å; F20-F104 HydrophobicContact CB-CD2 4.36Å; F20-F104 HydrophobicContact CB-CG 4.27Å; F20-F104 AromaticContact CD1-CD1 3.72Å; F20-F104 HydrophobicContact CD1-CD1 3.72Å; F20-F104 AromaticContact CD1-CE1 3.8Å; F20-F104 HydrophobicContact CD1-CE1 3.8Å; F20-F104 HydrophobicContact CD1-CG 4.29Å; F20-F104 HydrophobicContact CD1-CZ 4.41Å; F20-F104 HydrophobicContact CD2-CB 4.05Å; F20-F104 HydrophobicContact CD2-CD1 4.14Å; F20-F104 HydrophobicContact CD2-CG 4.19Å; F20-F104 AromaticContact CE1-CD1 3.94Å; F20-F104 HydrophobicContact CE1-CD1 3.94Å; F20-F104 HydrophobicContact CE1-CE1 4.07Å; F20-F104 HydrophobicContact CE2-CD1 4.34Å; F20-F104 HydrophobicContact CG-CB 4.29Å; F20-F104 AromaticContact CG-CD1 3.84Å; F20-F104 HydrophobicContact CG-CD1 3.84Å; F20-F104 HydrophobicContact CG-CD2 4.49Å; F20-F104 HydrophobicContact CG-CE1 4.3Å; F20-F104 AromaticContact CG-CG 3.96Å; F20-F104 HydrophobicContact CG-CG 3.96Å; F20-F104 HydrophobicContact CZ-CD1 4.25Å; F20-V106 HydrophobicContact CD2-CG2 4.34Å; F20-V106 HydrophobicContact CE2-CG2 4.11Å
21Y93Very high81.3Confident114 Ų11464 Ų6445%0.44732%0.317SS..Hα-helixtrans-67.4-24.4-177.7-73.8-67.4000113.7A17 K18 Y24 P26 R44A17-Y21 HydrophobicContact CB-CE2 4.48Å; A17-Y21 WeakPolarHBondContact O-CD2 3.42Å; A17-Y21 PolarHBondContact O-N 2.88Å; K18-Y21 PolarHBondContact O-N 3.46Å; Y21-Y24 VanDerWaalsContact O-O 3.14Å; Y21-P26 HydrophobicContact CD1-CG 4.23Å; Y21-P26 HydrophobicContact CE1-CG 3.71Å; Y21-R44 PolarHBondContact O-NE 3.34Å; Y21-R44 PolarHBondContact O-NH2 3.06Å
22Q94.1Very high83.3Confident115 Ų11568.6 Ų68.654%0.53733%0.327SS..Hα-helixtrans-71.7-34173.1-80.5178.7-1000112.7K18 E19 F20 R44K18-Q22 VanDerWaalsContact CE-NE2 3.3Å; K18-Q22 HydrophobicContact CG-CG 4.22Å; K18-Q22 VanDerWaalsContact O-CB 3.27Å; K18-Q22 WeakPolarHBondContact O-CB 3.18Å; K18-Q22 WeakPolarHBondContact O-CG 3.27Å; K18-Q22 PolarHBondContact O-N 3.15Å; E19-Q22 PolarHBondContact O-N 3.16Å; F20-Q22 VanDerWaalsContact C-N 3.26Å; F20-Q22 PolarHBondContact O-N 2.84Å; Q22-R44 WeakPolarHBondContact O-CD 3.5Å
23K95.9Very high84.5Confident60 Ų6067.6 Ų67.626%0.26133%0.329SS..Hα-helixtrans-95.1-32.3-178.7-166.8174.7179-173.90112.8E19 F20 H43 R44 D95 Y97E19-K23 PolarHBondContact O-N 3.3Å; E19-K23 VanDerWaalsContact O-N 3.16Å; F20-K23 PolarHBondContact O-N 3.39Å; F20-K23 VanDerWaalsContact O-N 3.15Å; K23-H43 WeakPolarHBondContact CE-NE2 3.27Å; K23-H43 WeakPolarHBondContact CG-NE2 3.4Å; K23-R44 PolarHBondContact O-N 2.67Å; K23-D95 WeakPolarHBondContact CE-OD2 3.46Å; K23-D95 IonicContact NZ-OD1 3.09Å; K23-D95 PolarHBondContact NZ-OD1 3.35Å; K23-D95 IonicContact NZ-OD2 3.24Å; K23-D95 PolarHBondContact NZ-OD2 2.81Å; K23-Y97 VanDerWaalsContact CD-OH 3.32Å; K23-Y97 WeakPolarHBondContact CD-OH 3.41Å
24Y97.2Very high85.5Confident2 Ų269.4 Ų69.41%0.00834%0.343CS..EExtended strand (participates in β ladder)trans-124.9147.9-171.1-62.4-72.8000112.8F20 Y21 V42 H43 R44 L50 D95 Y97 V106F20-Y24 AromaticContact CD2-CD2 3.76Å; F20-Y24 HydrophobicContact CD2-CD2 3.76Å; F20-Y24 HydrophobicContact CD2-CG 4.28Å; F20-Y24 AromaticContact CE2-CD2 3.87Å; F20-Y24 HydrophobicContact CE2-CD2 3.87Å; F20-Y24 AromaticContact CE2-CG 3.95Å; F20-Y24 HydrophobicContact CE2-CG 3.95Å; F20-Y24 WeakPolarHBondContact O-CB 3.43Å; F20-Y24 PolarHBondContact O-N 2.68Å; Y21-Y24 VanDerWaalsContact O-O 3.14Å; Y24-V42 CarbonylContact C-O 3.58Å; Y24-V42 WeakPolarHBondContact CA-O 3.12Å; Y24-H43 HydrophobicContact CD1-CB 4.04Å; Y24-H43 HydrophobicContact CE1-CB 3.75Å; Y24-H43 AromaticContact CE1-CD2 3.42Å; Y24-H43 VanDerWaalsContact CE1-CD2 3.42Å; Y24-H43 WeakPolarHBondContact CE1-CD2 3.48Å; Y24-H43 AromaticContact CE1-CG 3.91Å; Y24-H43 AromaticContact CZ-CD2 3.71Å; Y24-R44 PolarHBondContact O-NE 3.35Å; Y24-R44 PolarHBondContact O-NH2 3.2Å; Y24-L50 HydrophobicContact CD1-CD1 4.39Å; Y24-L50 HydrophobicContact CE1-CD1 3.61Å; Y24-D95 HydrophobicContact CE2-CB 4.47Å; Y24-D95 WeakPolarHBondContact CE2-OD2 3.32Å; Y24-D95 PolarHBondContact OH-OD2 3.36Å; Y24-Y97 HydrophobicContact CD2-CE2 4.16Å; Y24-Y97 AromaticContact CE2-CE2 3.85Å; Y24-Y97 HydrophobicContact CE2-CE2 3.85Å; Y24-V106 HydrophobicContact CD2-CG2 4.27Å; Y24-V106 HydrophobicContact CE1-CG1 4.16Å; Y24-V106 HydrophobicContact CE2-CG2 4.01Å
25D94.6Very high86.3Confident48 Ų4865.2 Ų65.226%0.25734%0.336SS..EExtended strand (participates in β ladder)trans-116103.1173.8-165.641.3000110.1K27 C41 V42 R44D25-K27 VanDerWaalsContact OD2-CE 3.28Å; D25-K27 WeakPolarHBondContact OD2-CE 3.32Å; D25-K27 IonicContact OD2-NZ 3.4Å; D25-K27 PolarHBondContact OD2-NZ 3.48Å; D25-C41 CarbonylContact O-C 3.59Å; D25-C41 VanDerWaalsContact O-CA 3.32Å; D25-C41 WeakPolarHBondContact O-CA 3.02Å; D25-V42 PolarHBondContact N-O 3.31Å; D25-V42 PolarHBondContact O-N 2.96Å; D25-R44 HydrophobicContact CB-CG 4.34Å; D25-R44 IonicContact OD1-CZ 2.68Å; D25-R44 IonicContact OD1-NH1 3.66Å; D25-R44 IonicContact OD1-NH2 3.47Å; D25-R44 PolarHBondContact OD1-NH2 2.83Å
26P93.9Very high87.3Confident20 Ų2065.4 Ų65.413%0.1334%0.338CS..EExtended strand (participates in β ladder)trans-71.8142.9-17927.6-31.5000112F20 Y21F20-P26 HydrophobicContact CE1-CG 4.21Å; Y21-P26 HydrophobicContact CD1-CG 4.23Å; Y21-P26 HydrophobicContact CE1-CG 3.71Å
27K95.4Very high88.2Confident69 Ų6966.9 Ų66.930%0.335%0.347SS..EExtended strand (participates in β ladder)trans-121.5-143.3-173.4-55.7-62-168.3-175.60110.5D25 R39 R40 V42D25-K27 VanDerWaalsContact OD2-CE 3.28Å; D25-K27 WeakPolarHBondContact OD2-CE 3.32Å; D25-K27 IonicContact OD2-NZ 3.4Å; D25-K27 PolarHBondContact OD2-NZ 3.48Å; K27-R39 PolarHBondContact O-NE 3.47Å; K27-R39 PolarHBondContact O-NH2 2.89Å; K27-R40 WeakPolarHBondContact CA-O 3.45Å; K27-R40 HydrophobicContact CB-CB 4.31Å; K27-R40 VanDerWaalsContact CB-NH2 3.32Å; K27-R40 WeakPolarHBondContact CB-O 3.46Å; K27-R40 PolarHBondContact N-O 2.91Å; K27-V42 HydrophobicContact CG-CG2 4.1Å
28E93.2Very high88.6Confident97 Ų9767.9 Ų67.945%0.45335%0.351SS..EExtended strand (participates in β ladder)trans-64.6157.1-178.870.6-76.4176.800113.5I30 R39 R40E28-I30 HydrophobicContact CG-CG2 4.35Å; E28-R39 VanDerWaalsContact O-CA 3.29Å; E28-R39 WeakPolarHBondContact O-CA 2.94Å; E28-R39 WeakPolarHBondContact O-CB 3.36Å; E28-R40 VanDerWaalsContact CD-NE 3.35Å; E28-R40 PolarHBondContact O-N 2.93Å; E28-R40 IonicContact OE1-CZ 2.68Å; E28-R40 IonicContact OE1-NE 3.96Å; E28-R40 PolarHBondContact OE1-NE 3.38Å; E28-R40 IonicContact OE1-NH2 3.56Å; E28-R40 IonicContact OE2-CZ 3.12Å; E28-R40 IonicContact OE2-NE 2.64Å; E28-R40 PolarHBondContact OE2-NE 3.37Å; E28-R40 IonicContact OE2-NH2 2.67Å; E28-R40 PolarHBondContact OE2-NH2 2.49Å
29V92Very high89.1Confident58 Ų5867 Ų6735%0.35235%0.345SS..EExtended strand (participates in β ladder)trans-77.5128.7173.1176.70000108.9G31 R32 V37 R39V29-G31 WeakPolarHBondContact CG1-O 3.42Å; V29-R32 HydrophobicContact CG1-CG 3.89Å; V29-V37 HydrophobicContact CB-CG2 4.37Å; V29-V37 HydrophobicContact CG1-CG2 3.6Å; V29-V37 HydrophobicContact CG2-CG2 3.87Å; V29-R39 HydrophobicContact CG2-CG 4.02Å
30I88.8Confident89.4Confident86 Ų8664.5 Ų64.544%0.44133%0.332SS..EExtended strand (participates in β ladder)trans-112.2-18178.761.5176.2000112.5E28 V38 R40 A51 L109E28-I30 HydrophobicContact CG-CG2 4.35Å; I30-V38 HydrophobicContact CD1-CG1 3.96Å; I30-V38 HydrophobicContact CG1-CB 4.2Å; I30-V38 HydrophobicContact CG1-CG1 3.79Å; I30-V38 WeakPolarHBondContact CG1-O 3.47Å; I30-V38 PolarHBondContact N-O 3.39Å; I30-R40 HydrophobicContact CG2-CB 4.28Å; I30-A51 HydrophobicContact CD1-CB 4.12Å; I30-L109 HydrophobicContact CD1-CD1 3.82Å
31G83.6Confident89.5Confident20 Ų2064.5 Ų64.521%0.20633%0.332CS..EExtended strand (participates in β ladder)trans-154.7155.8176.500000112.5V29 V38V29-G31 WeakPolarHBondContact CG1-O 3.42Å; G31-V38 PolarHBondContact N-O 2.83Å; G31-V38 VanDerWaalsContact N-O 3.07Å; G31-V38 PolarHBondContact O-N 2.87Å
32R82.1Confident89.7Confident199 Ų19960.3 Ų60.375%0.75132%0.318SS*.EExtended strand (participates in β ladder)trans-138.7124.3175.5-68.1-177.1-179-88.72.3109.2V29 V37V29-R32 HydrophobicContact CG1-CG 3.89Å; R32-V37 HydrophobicContact CG-CG2 4.29Å
33G72.6Confident89.9Confident46 Ų4656 Ų5647%0.47430%0.298SS..  trans-101.5-171.7166.900000111.4S36G33-S36 PolarHBondContact N-O 3.44Å
34V71.3Confident89.9Confident142 Ų14259.1 Ų59.186%0.86131%0.308SS*.SBendtrans-66.5-46-179.8179.40000111.7
35S75.3Confident89.8Confident60 Ų6066.6 Ų66.642%0.4234%0.342SS..SBendtrans-122.212.9-178.353.90000113.1E56S35-E56 PolarHBondContact O-N 3.17Å
36S86.1Confident89.9Confident24 Ų2468.6 Ų68.617%0.16836%0.357CS..EExtended strand (participates in β ladder)trans-140.9152.9-177.764.60000113.3G33 I54G33-S36 PolarHBondContact N-O 3.44Å; S36-I54 CarbonylContact C-O 3.56Å; S36-I54 WeakPolarHBondContact CA-O 3.32Å; S36-I54 WeakPolarHBondContact CB-O 3.43Å
37V90.2Very high90Very high34 Ų3470 Ų7021%0.20637%0.374CS..EExtended strand (participates in β ladder)trans-125.6133.8171.463.60000109.3V29 R32 R39 I54V29-V37 HydrophobicContact CB-CG2 4.37Å; V29-V37 HydrophobicContact CG1-CG2 3.6Å; V29-V37 HydrophobicContact CG2-CG2 3.87Å; R32-V37 HydrophobicContact CG-CG2 4.29Å; V37-R39 HydrophobicContact CG2-CG 4.27Å; V37-I54 HydrophobicContact CG1-CB 3.87Å; V37-I54 HydrophobicContact CG1-CD1 4.29Å; V37-I54 HydrophobicContact CG1-CG1 4.41Å; V37-I54 PolarHBondContact N-O 2.6Å; V37-I54 PolarHBondContact O-N 2.71Å
38V92.2Very high90Very high40 Ų4071.7 Ų71.724%0.24238%0.383CS..EExtended strand (participates in β ladder)trans-103.1125.5174.9-170.50000108.5I30 G31 A51 V52 K53I30-V38 HydrophobicContact CD1-CG1 3.96Å; I30-V38 HydrophobicContact CG1-CB 4.2Å; I30-V38 HydrophobicContact CG1-CG1 3.79Å; I30-V38 WeakPolarHBondContact CG1-O 3.47Å; I30-V38 PolarHBondContact N-O 3.39Å; G31-V38 PolarHBondContact N-O 2.83Å; G31-V38 VanDerWaalsContact N-O 3.07Å; G31-V38 PolarHBondContact O-N 2.87Å; V38-A51 HydrophobicContact CG1-CB 4.31Å; V38-V52 CarbonylContact C-O 3.54Å; V38-V52 VanDerWaalsContact CA-O 3.29Å; V38-V52 WeakPolarHBondContact CA-O 3.28Å; V38-K53 HydrophobicContact CG2-CB 4.27Å; V38-K53 HydrophobicContact CG2-CG 4.23Å
39R95.1Very high90.2Very high81 Ų8170 Ų7031%0.30638%0.376SS..EExtended strand (participates in β ladder)trans-120.7149.2177.9-61.1-179.174.6165.70.4110.1K27 E28 V29 V37 A51 V52 I54K27-R39 PolarHBondContact O-NE 3.47Å; K27-R39 PolarHBondContact O-NH2 2.89Å; E28-R39 VanDerWaalsContact O-CA 3.29Å; E28-R39 WeakPolarHBondContact O-CA 2.94Å; E28-R39 WeakPolarHBondContact O-CB 3.36Å; V29-R39 HydrophobicContact CG2-CG 4.02Å; V37-R39 HydrophobicContact CG2-CG 4.27Å; R39-A51 CarbonylContact O-C 3.51Å; R39-A51 WeakPolarHBondContact O-CA 3.38Å; R39-V52 HydrophobicContact CB-CG1 4.03Å; R39-V52 PolarHBondContact N-O 2.64Å; R39-V52 PolarHBondContact O-N 2.67Å; R39-I54 HydrophobicContact CG-CD1 4.45Å
40R96.5Very high90.4Very high40 Ų4067.3 Ų67.315%0.15136%0.359CS..EExtended strand (participates in β ladder)trans-65.5142.1159.7-176.8177.462.691.53.8108.1K27 E28 I30 E49 L50 L109K27-R40 WeakPolarHBondContact CA-O 3.45Å; K27-R40 HydrophobicContact CB-CB 4.31Å; K27-R40 VanDerWaalsContact CB-NH2 3.32Å; K27-R40 WeakPolarHBondContact CB-O 3.46Å; K27-R40 PolarHBondContact N-O 2.91Å; E28-R40 VanDerWaalsContact CD-NE 3.35Å; E28-R40 PolarHBondContact O-N 2.93Å; E28-R40 IonicContact OE1-CZ 2.68Å; E28-R40 IonicContact OE1-NE 3.96Å; E28-R40 PolarHBondContact OE1-NE 3.38Å; E28-R40 IonicContact OE1-NH2 3.56Å; E28-R40 IonicContact OE2-CZ 3.12Å; E28-R40 IonicContact OE2-NE 2.64Å; E28-R40 PolarHBondContact OE2-NE 3.37Å; E28-R40 IonicContact OE2-NH2 2.67Å; E28-R40 PolarHBondContact OE2-NH2 2.49Å; I30-R40 HydrophobicContact CG2-CB 4.28Å; R40-E49 IonicContact CZ-OE1 3.45Å; R40-E49 IonicContact NE-OE1 3.77Å; R40-E49 IonicContact NH1-OE1 2.94Å; R40-E49 PolarHBondContact NH1-OE1 3.4Å; R40-L50 CarbonylContact C-O 3.53Å; R40-L50 WeakPolarHBondContact CA-O 3.41Å; R40-L109 HydrophobicContact CG-CD1 4.47Å; R40-L109 HydrophobicContact CG-CD2 4.05Å
41C96.4Very high90.8Very high0 Ų063.7 Ų63.70%034%0.342CS..EExtended strand (participates in β ladder)trans-135.8161.517065.50000110.6D25 E49 L50 V52D25-C41 CarbonylContact O-C 3.59Å; D25-C41 VanDerWaalsContact O-CA 3.32Å; D25-C41 WeakPolarHBondContact O-CA 3.02Å; C41-E49 WeakPolarHBondContact O-CA 3.46Å; C41-L50 PolarHBondContact N-O 2.8Å; C41-L50 PolarHBondContact O-N 3.34Å; C41-V52 HydrophobicContact CB-CG1 3.99Å
42V97.4Very high91.5Very high25 Ų2562.7 Ų62.715%0.15233%0.332CS..EExtended strand (participates in β ladder)trans-121.8127.8178.5-176.10000108.9Y24 D25 K27 R44 Q48 E49Y24-V42 CarbonylContact C-O 3.58Å; Y24-V42 WeakPolarHBondContact CA-O 3.12Å; D25-V42 PolarHBondContact N-O 3.31Å; D25-V42 PolarHBondContact O-N 2.96Å; K27-V42 HydrophobicContact CG-CG2 4.1Å; V42-R44 PolarHBondContact O-N 2.79Å; V42-Q48 WeakPolarHBondContact CA-O 3.44Å; V42-E49 HydrophobicContact CG2-CG 4.34Å
43H97.4Very high92.1Very high25 Ų2554.6 Ų54.612%0.11630%0.302CS..EExtended strand (participates in β ladder)trans-69117.5172.3-173.9-71.5000109.5K23 Y24 H45 T46 G47 Q48K23-H43 WeakPolarHBondContact CE-NE2 3.27Å; K23-H43 WeakPolarHBondContact CG-NE2 3.4Å; Y24-H43 HydrophobicContact CD1-CB 4.04Å; Y24-H43 HydrophobicContact CE1-CB 3.75Å; Y24-H43 AromaticContact CE1-CD2 3.42Å; Y24-H43 VanDerWaalsContact CE1-CD2 3.42Å; Y24-H43 WeakPolarHBondContact CE1-CD2 3.48Å; Y24-H43 AromaticContact CE1-CG 3.91Å; Y24-H43 AromaticContact CZ-CD2 3.71Å; H43-H45 VanDerWaalsContact C-N 3.31Å; H43-H45 AromaticContact CE1-ND1 3.91Å; H43-H45 PolarHBondContact ND1-N 2.88Å; H43-H45 PolarHBondContact O-N 3.44Å; H43-T46 VanDerWaalsContact CB-OG1 3.31Å; H43-T46 WeakPolarHBondContact CB-OG1 3.35Å; H43-T46 PolarHBondContact ND1-N 2.84Å; H43-T46 PolarHBondContact ND1-OG1 2.83Å; H43-T46 PolarHBondContact O-N 2.86Å; H43-G47 WeakPolarHBondContact O-CA 3.39Å; H43-G47 PolarHBondContact O-N 3.19Å; H43-Q48 HydrophobicContact CB-CB 4.42Å; H43-Q48 PolarHBondContact N-O 3.17Å
44R96.3Very high93Very high125 Ų12553.1 Ų53.147%0.47228%0.284SS..THydrogen-bonded Turntrans-58.2-38.6-168-70.2-174.3-177.1-76.3-11.7113.8Y21 Q22 K23 Y24 D25 V42Y21-R44 PolarHBondContact O-NE 3.34Å; Y21-R44 PolarHBondContact O-NH2 3.06Å; Q22-R44 WeakPolarHBondContact O-CD 3.5Å; K23-R44 PolarHBondContact O-N 2.67Å; Y24-R44 PolarHBondContact O-NE 3.35Å; Y24-R44 PolarHBondContact O-NH2 3.2Å; D25-R44 HydrophobicContact CB-CG 4.34Å; D25-R44 IonicContact OD1-CZ 2.68Å; D25-R44 IonicContact OD1-NH1 3.66Å; D25-R44 IonicContact OD1-NH2 3.47Å; D25-R44 PolarHBondContact OD1-NH2 2.83Å; V42-R44 PolarHBondContact O-N 2.79Å
45H94.8Very high93.9Very high159 Ų15946.7 Ų46.774%0.73624%0.244SC*.THydrogen-bonded Turntrans-84-29.9-176.1-58.890.3000114.3H43H43-H45 VanDerWaalsContact C-N 3.31Å; H43-H45 AromaticContact CE1-ND1 3.91Å; H43-H45 PolarHBondContact ND1-N 2.88Å; H43-H45 PolarHBondContact O-N 3.44Å
46T96.6Very high94.4Very high90 Ų9046.9 Ų46.955%0.55224%0.239SC*.THydrogen-bonded Turntrans-105.8-15.6-172.260.80000112H43 Q48H43-T46 VanDerWaalsContact CB-OG1 3.31Å; H43-T46 WeakPolarHBondContact CB-OG1 3.35Å; H43-T46 PolarHBondContact ND1-N 2.84Å; H43-T46 PolarHBondContact ND1-OG1 2.83Å; H43-T46 PolarHBondContact O-N 2.86Å; T46-Q48 PolarHBondContact O-N 3.03Å; T46-Q48 WeakPolarHBondContact OG1-CB 3.49Å; T46-Q48 PolarHBondContact OG1-N 3.49Å
47G95.8Very high94.3Very high49 Ų4945.8 Ų45.851%0.50523%0.231SC..  trans69.73.9-172.400000113.9H43 E49H43-G47 WeakPolarHBondContact O-CA 3.39Å; H43-G47 PolarHBondContact O-N 3.19Å; G47-E49 PolarHBondContact O-N 3.1Å
48Q96.6Very high93.6Very high105 Ų10545.3 Ų45.349%0.49123%0.228SC..  trans-67130.5-178-173.2177.89.600110.7V42 H43 T46 L50V42-Q48 WeakPolarHBondContact CA-O 3.44Å; H43-Q48 HydrophobicContact CB-CB 4.42Å; H43-Q48 PolarHBondContact N-O 3.17Å; T46-Q48 PolarHBondContact O-N 3.03Å; T46-Q48 WeakPolarHBondContact OG1-CB 3.49Å; T46-Q48 PolarHBondContact OG1-N 3.49Å; Q48-L50 HydrophobicContact CG-CD2 4.09Å; Q48-L50 HydrophobicContact CG-CG 4.33Å
49E96.9Very high92.3Very high62 Ų6247.1 Ų47.129%0.2925%0.247SC..EExtended strand (participates in β ladder)trans-86.9132.4175.8-56.5-165.6120.400111R40 C41 V42 G47 L109 R111R40-E49 IonicContact CZ-OE1 3.45Å; R40-E49 IonicContact NE-OE1 3.77Å; R40-E49 IonicContact NH1-OE1 2.94Å; R40-E49 PolarHBondContact NH1-OE1 3.4Å; C41-E49 WeakPolarHBondContact O-CA 3.46Å; V42-E49 HydrophobicContact CG2-CG 4.34Å; G47-E49 PolarHBondContact O-N 3.1Å; E49-L109 HydrophobicContact CB-CD2 3.89Å; E49-R111 IonicContact OE2-CZ 2.91Å; E49-R111 IonicContact OE2-NH1 3.34Å; E49-R111 PolarHBondContact OE2-NH1 3.18Å; E49-R111 IonicContact OE2-NH2 3.75Å; E49-R111 PolarHBondContact OE2-NH2 3.3Å
50L97.3Very high90.9Very high2 Ų252.7 Ų52.71%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-137.7175.3-173.3-63176.5000109.8Y24 R40 C41 Q48 I94 V106 F107Y24-L50 HydrophobicContact CD1-CD1 4.39Å; Y24-L50 HydrophobicContact CE1-CD1 3.61Å; R40-L50 CarbonylContact C-O 3.53Å; R40-L50 WeakPolarHBondContact CA-O 3.41Å; C41-L50 PolarHBondContact N-O 2.8Å; C41-L50 PolarHBondContact O-N 3.34Å; Q48-L50 HydrophobicContact CG-CD2 4.09Å; Q48-L50 HydrophobicContact CG-CG 4.33Å; L50-I94 HydrophobicContact CD1-CD1 3.99Å; L50-I94 HydrophobicContact CD2-CD1 3.36Å; L50-I94 HydrophobicContact CG-CD1 4.25Å; L50-V106 HydrophobicContact CB-CG1 4.1Å; L50-V106 HydrophobicContact CD1-CG1 3.7Å; L50-F107 WeakPolarHBondContact CB-O 3.42Å
51A96.9Very high89.6Confident9 Ų957.3 Ų57.37%0.07430%0.298CS..EExtended strand (participates in β ladder)trans-112.2142.9169.400000109.9I30 V38 R39 V106 F107 L109I30-A51 HydrophobicContact CD1-CB 4.12Å; V38-A51 HydrophobicContact CG1-CB 4.31Å; R39-A51 CarbonylContact O-C 3.51Å; R39-A51 WeakPolarHBondContact O-CA 3.38Å; A51-V106 CarbonylContact O-C 3.52Å; A51-V106 WeakPolarHBondContact O-CA 3.28Å; A51-F107 PolarHBondContact N-O 3.1Å; A51-F107 PolarHBondContact O-N 2.68Å; A51-L109 HydrophobicContact CB-CD1 4.16Å
52V96.9Very high88.6Confident0 Ų059.5 Ų59.50%031%0.309CS..EExtended strand (participates in β ladder)trans-122.6122.6171.261.20000109.8F20 V38 R39 C41 I54 F104 L105 V106F20-V52 HydrophobicContact CD2-CG2 4.49Å; F20-V52 HydrophobicContact CE2-CB 4.13Å; F20-V52 HydrophobicContact CE2-CG1 4.4Å; F20-V52 HydrophobicContact CE2-CG2 3.65Å; F20-V52 HydrophobicContact CZ-CB 4.21Å; F20-V52 HydrophobicContact CZ-CG1 3.97Å; F20-V52 HydrophobicContact CZ-CG2 3.9Å; V38-V52 CarbonylContact C-O 3.54Å; V38-V52 VanDerWaalsContact CA-O 3.29Å; V38-V52 WeakPolarHBondContact CA-O 3.28Å; R39-V52 HydrophobicContact CB-CG1 4.03Å; R39-V52 PolarHBondContact N-O 2.64Å; R39-V52 PolarHBondContact O-N 2.67Å; C41-V52 HydrophobicContact CB-CG1 3.99Å; V52-I54 HydrophobicContact CG1-CD1 4.31Å; V52-I54 HydrophobicContact CG1-CG1 4.21Å; V52-I54 HydrophobicContact CG2-CG1 3.98Å; V52-F104 HydrophobicContact CG2-CB 4.1Å; V52-F104 HydrophobicContact CG2-CD1 4.22Å; V52-L105 CarbonylContact C-O 3.58Å; V52-L105 VanDerWaalsContact CA-O 3.3Å; V52-L105 WeakPolarHBondContact CA-O 3.29Å; V52-V106 HydrophobicContact CG2-CG2 4.26Å
53K94.6Very high87.9Confident28 Ų2862.1 Ų62.112%0.12232%0.324CS..EExtended strand (participates in β ladder)trans-88.1117.4167.2-175.6-178.3179.6-173.70107.1V38 I55 E77 L105 F107 D171V38-K53 HydrophobicContact CG2-CB 4.27Å; V38-K53 HydrophobicContact CG2-CG 4.23Å; K53-I55 HydrophobicContact CG-CG1 4.27Å; K53-E77 IonicContact NZ-OE1 3.7Å; K53-E77 PolarHBondContact NZ-OE1 2.93Å; K53-E77 VanDerWaalsContact NZ-OE1 3.1Å; K53-E77 IonicContact NZ-OE2 3.27Å; K53-E77 PolarHBondContact NZ-OE2 3.27Å; K53-L105 HydrophobicContact CB-CB 4.33Å; K53-L105 HydrophobicContact CD-CD1 4.49Å; K53-L105 PolarHBondContact N-O 2.94Å; K53-L105 PolarHBondContact O-N 2.71Å; K53-F107 HydrophobicContact CB-CD2 4.46Å; K53-F107 HydrophobicContact CB-CE2 3.94Å; K53-F107 HydrophobicContact CD-CE2 4.47Å; K53-D171 IonicContact NZ-OD1 2.71Å
54I92.8Very high87.3Confident16 Ų1665 Ų658%0.08235%0.353CS..EExtended strand (participates in β ladder)trans-107.1115.2179.6-49.5175.5000106.8S36 V37 R39 V52 F102 I103 F104S36-I54 CarbonylContact C-O 3.56Å; S36-I54 WeakPolarHBondContact CA-O 3.32Å; S36-I54 WeakPolarHBondContact CB-O 3.43Å; V37-I54 HydrophobicContact CG1-CB 3.87Å; V37-I54 HydrophobicContact CG1-CD1 4.29Å; V37-I54 HydrophobicContact CG1-CG1 4.41Å; V37-I54 PolarHBondContact N-O 2.6Å; V37-I54 PolarHBondContact O-N 2.71Å; R39-I54 HydrophobicContact CG-CD1 4.45Å; V52-I54 HydrophobicContact CG1-CD1 4.31Å; V52-I54 HydrophobicContact CG1-CG1 4.21Å; V52-I54 HydrophobicContact CG2-CG1 3.98Å; I54-F102 HydrophobicContact CG2-CB 4.3Å; I54-F102 HydrophobicContact CG2-CD1 3.86Å; I54-F102 HydrophobicContact CG2-CG 4.33Å; I54-I103 WeakPolarHBondContact CA-O 3.45Å; I54-F104 HydrophobicContact CB-CD1 4.46Å; I54-F104 HydrophobicContact CD1-CD1 4.33Å; I54-F104 HydrophobicContact CD1-CE1 4.19Å; I54-F104 HydrophobicContact CG1-CD1 3.88Å; I54-F104 HydrophobicContact CG1-CE1 4.14Å; I54-F104 HydrophobicContact CG2-CD1 4.07Å; I54-F104 HydrophobicContact CG2-CE1 3.81Å; I54-F104 HydrophobicContact CG2-CZ 4.44Å
55I90.2Very high86.7Confident7 Ų765.6 Ų65.64%0.03636%0.361CS..EExtended strand (participates in β ladder)trans-103.7126.2180-56.9165.9000107.2K53 I57 V70 T74 F102 I103 L105K53-I55 HydrophobicContact CG-CG1 4.27Å; I55-I57 HydrophobicContact CG2-CG2 4.27Å; I55-V70 HydrophobicContact CG2-CG1 4.14Å; I55-T74 HydrophobicContact CD1-CG2 3.71Å; I55-F102 CarbonylContact O-C 3.48Å; I55-F102 VanDerWaalsContact O-CA 3.23Å; I55-F102 WeakPolarHBondContact O-CA 3.19Å; I55-I103 HydrophobicContact CB-CB 4.3Å; I55-I103 PolarHBondContact N-O 3.01Å; I55-I103 PolarHBondContact O-N 3.21Å; I55-L105 HydrophobicContact CD1-CD1 4.15Å
56E85.9Confident86.1Confident64 Ų6462.1 Ų62.130%0.29935%0.345SS..EExtended strand (participates in β ladder)trans-88124.8178.1-172.4175.7-158.100109.7S35 T58 K61 F102S35-E56 PolarHBondContact O-N 3.17Å; E56-T58 HydrophobicContact CG-CG2 3.73Å; E56-K61 IonicContact OE1-NZ 2.6Å; E56-K61 PolarHBondContact OE1-NZ 2.95Å; E56-K61 IonicContact OE2-NZ 3.56Å; E56-K61 PolarHBondContact OE2-NZ 2.83Å; E56-F102 HydrophobicContact CB-CD1 4.13Å; E56-F102 HydrophobicContact CB-CE1 3.93Å; E56-F102 HydrophobicContact CG-CD1 4.25Å; E56-F102 HydrophobicContact CG-CE1 3.71Å; E56-F102 HydrophobicContact CG-CZ 4.45Å
57I82.9Confident85.5Confident1 Ų159.5 Ų59.51%0.00533%0.328CS..  trans-123.544.2-179.355.1162.1000110.6I55 L67 V70 K71 S99 T101 I103I55-I57 HydrophobicContact CG2-CG2 4.27Å; I57-L67 HydrophobicContact CB-CD1 3.66Å; I57-L67 HydrophobicContact CG2-CD1 4.43Å; I57-L67 WeakPolarHBondContact O-CD1 3.49Å; I57-V70 HydrophobicContact CG2-CG1 3.73Å; I57-K71 HydrophobicContact CD1-CG 4.4Å; I57-S99 WeakPolarHBondContact CD1-O 3.44Å; I57-T101 VanDerWaalsContact CG1-C 3.4Å; I57-T101 WeakPolarHBondContact CG1-O 3.29Å; I57-T101 PolarHBondContact N-O 2.87Å; I57-I103 HydrophobicContact CD1-CD1 4.16Å; I57-I103 HydrophobicContact CD1-CG1 3.85Å; I57-I103 HydrophobicContact CG1-CG1 4.4Å; I57-I103 HydrophobicContact CG2-CD1 4.23Å; I57-I103 HydrophobicContact CG2-CG1 4.49Å
58T75.8Confident85.1Confident24 Ų2463 Ų6315%0.14733%0.331CS..  trans-79.4126.3-178.150.70000112.4E56 E60 K61 T101E56-T58 HydrophobicContact CG-CG2 3.73Å; T58-E60 PolarHBondContact O-N 2.85Å; T58-E60 VanDerWaalsContact O-N 3.14Å; T58-K61 PolarHBondContact O-N 2.74Å; T58-K61 VanDerWaalsContact O-N 3.11Å; T58-T101 HydrophobicContact CG2-CG2 4.2Å
59A64.9Low84.5Confident78 Ų7863.1 Ų63.165%0.64533%0.331SS*.THydrogen-bonded Turntrans-60.4-20.3177.600000114.6K61A59-K61 VanDerWaalsContact C-N 3.31Å; A59-K61 PolarHBondContact O-N 3.49Å
60E67.1Low84Confident197 Ų19761.4 Ų61.492%0.92133%0.325SS*.THydrogen-bonded Turntrans-72.4-24.1176.9-65.1-176.9176.400113.3T58T58-E60 PolarHBondContact O-N 2.85Å; T58-E60 VanDerWaalsContact O-N 3.14Å
61K68.2Low83.5Confident138 Ų13863 Ų6360%0.633%0.332SS*.THydrogen-bonded Turntrans-103.6-12.4-175.9-68.6179.1178.9161.30113.4E56 T58 A59E56-K61 IonicContact OE1-NZ 2.6Å; E56-K61 PolarHBondContact OE1-NZ 2.95Å; E56-K61 IonicContact OE2-NZ 3.56Å; E56-K61 PolarHBondContact OE2-NZ 2.83Å; T58-K61 PolarHBondContact O-N 2.74Å; T58-K61 VanDerWaalsContact O-N 3.11Å; A59-K61 VanDerWaalsContact C-N 3.31Å; A59-K61 PolarHBondContact O-N 3.49Å
62M76.1Confident83Confident46 Ų4664.7 Ų64.723%0.22734%0.343CS..SBendtrans-137.9142.4-170.3-53.3-168.88100110.4Q66 V70M62-Q66 HydrophobicContact CB-CB 4.08Å; M62-Q66 HydrophobicContact CE-CB 3.97Å; M62-V70 HydrophobicContact CE-CG2 3.49Å; M62-V70 VanDerWaalsContact CE-CG2 3.49Å; M62-V70 HydrophobicContact SD-CG2 4.3Å
63T82.9Confident82.6Confident79 Ų7967 Ų6749%0.48536%0.36SS..  trans-66.6159.1170.7690000110.3Q65 Q66 L67T63-Q65 PolarHBondContact O-N 2.82Å; T63-Q66 PolarHBondContact O-N 2.78Å; T63-Q66 WeakPolarHBondContact OG1-CG 3.38Å; T63-Q66 PolarHBondContact OG1-N 3.2Å; T63-Q66 PolarHBondContact OG1-OE1 3.18Å; T63-L67 WeakPolarHBondContact O-CB 3.41Å; T63-L67 PolarHBondContact O-N 3.23Å
64A83.4Confident82.4Confident87 Ų8766 Ų6672%0.71936%0.356SS*.Hα-helixtrans-55.1-36177.200000112.6E68A64-E68 PolarHBondContact O-N 2.84Å; A64-E68 VanDerWaalsContact O-N 3.14Å
65Q84.3Confident82.3Confident136 Ų13669.1 Ų69.164%0.63637%0.372SS*.Hα-helixtrans-66.8-47175.6-174.4-177-17.100112T63 L67 E68 E69T63-Q65 PolarHBondContact O-N 2.82Å; Q65-L67 VanDerWaalsContact C-N 3.28Å; Q65-L67 PolarHBondContact O-N 2.86Å; Q65-E68 PolarHBondContact O-N 2.84Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.46Å; Q65-E69 PolarHBondContact NE2-OE1 2.85Å; Q65-E69 WeakPolarHBondContact O-CG 3.39Å; Q65-E69 PolarHBondContact O-N 2.84Å
66Q83.2Confident82.3Confident87 Ų8774.2 Ų74.241%0.40739%0.394SS..Hα-helixtrans-63.4-36.6178-73.3172.8-32.900112M62 T63 E69 V70M62-Q66 HydrophobicContact CB-CB 4.08Å; M62-Q66 HydrophobicContact CE-CB 3.97Å; T63-Q66 PolarHBondContact O-N 2.78Å; T63-Q66 WeakPolarHBondContact OG1-CG 3.38Å; T63-Q66 PolarHBondContact OG1-N 3.2Å; T63-Q66 PolarHBondContact OG1-OE1 3.18Å; Q66-E69 PolarHBondContact O-N 2.81Å; Q66-V70 WeakPolarHBondContact O-CG2 3.35Å; Q66-V70 PolarHBondContact O-N 2.92Å
67L83.9Confident82.7Confident35 Ų3571.7 Ų71.718%0.18338%0.382CS..Hα-helixtrans-61.8-47.1176.3-175.667000111I57 T63 Q65 V70 K71I57-L67 HydrophobicContact CB-CD1 3.66Å; I57-L67 HydrophobicContact CG2-CD1 4.43Å; I57-L67 WeakPolarHBondContact O-CD1 3.49Å; T63-L67 WeakPolarHBondContact O-CB 3.41Å; T63-L67 PolarHBondContact O-N 3.23Å; Q65-L67 VanDerWaalsContact C-N 3.28Å; Q65-L67 PolarHBondContact O-N 2.86Å; L67-V70 PolarHBondContact O-N 3.15Å; L67-K71 WeakPolarHBondContact O-CG 3.3Å; L67-K71 PolarHBondContact O-N 2.87Å
68E85.5Confident83.3Confident122 Ų12272.7 Ų72.757%0.5739%0.387SS*.Hα-helixtrans-64.1-39.9177.2-172.956.6-151.200111.8A64 Q65 K71 S72A64-E68 PolarHBondContact O-N 2.84Å; A64-E68 VanDerWaalsContact O-N 3.14Å; Q65-E68 PolarHBondContact O-N 2.84Å; E68-K71 PolarHBondContact O-N 2.96Å; E68-S72 WeakPolarHBondContact O-CB 3.37Å; E68-S72 PolarHBondContact O-N 3.3Å
69E85.8Confident84.2Confident108 Ų10876.9 Ų76.951%0.50541%0.405SS..Hα-helixtrans-61.8-43.6175.2-73.5169.7-170.400112.1Q65 Q66 S73Q65-E69 WeakPolarHBondContact CG-OE1 3.46Å; Q65-E69 PolarHBondContact NE2-OE1 2.85Å; Q65-E69 WeakPolarHBondContact O-CG 3.39Å; Q65-E69 PolarHBondContact O-N 2.84Å; Q66-E69 PolarHBondContact O-N 2.81Å; E69-S73 WeakPolarHBondContact O-CB 3.32Å; E69-S73 PolarHBondContact O-N 3.14Å; E69-S73 PolarHBondContact O-OG 2.63Å
70V85.3Confident85.7Confident25 Ų2573.5 Ų73.515%0.15238%0.376CS..Hα-helixtrans-67.1-43.3176.6172.90000111.5I55 I57 M62 Q66 L67 S73 T74I55-V70 HydrophobicContact CG2-CG1 4.14Å; I57-V70 HydrophobicContact CG2-CG1 3.73Å; M62-V70 HydrophobicContact CE-CG2 3.49Å; M62-V70 VanDerWaalsContact CE-CG2 3.49Å; M62-V70 HydrophobicContact SD-CG2 4.3Å; Q66-V70 WeakPolarHBondContact O-CG2 3.35Å; Q66-V70 PolarHBondContact O-N 2.92Å; L67-V70 PolarHBondContact O-N 3.15Å; V70-S73 WeakPolarHBondContact CA-OG 3.48Å; V70-S73 PolarHBondContact O-OG 2.69Å; V70-T74 VanDerWaalsContact O-CB 3.3Å; V70-T74 WeakPolarHBondContact O-CB 3.49Å; V70-T74 PolarHBondContact O-N 3.07Å; V70-T74 PolarHBondContact O-OG1 3.4Å
71K86.5Confident87.1Confident36 Ų3664.1 Ų64.116%0.15733%0.333CS..Hα-helixtrans-62-49.7175.8-76.2-171.9175.4-164.70111.3I57 L67 E68 S73 T74 L75 E98I57-K71 HydrophobicContact CD1-CG 4.4Å; L67-K71 WeakPolarHBondContact O-CG 3.3Å; L67-K71 PolarHBondContact O-N 2.87Å; E68-K71 PolarHBondContact O-N 2.96Å; K71-S73 PolarHBondContact O-N 3.34Å; K71-T74 PolarHBondContact O-N 3.3Å; K71-L75 WeakPolarHBondContact O-CB 3.41Å; K71-L75 WeakPolarHBondContact O-CG 3.29Å; K71-L75 PolarHBondContact O-N 2.92Å; K71-E98 IonicContact NZ-OE1 2.9Å
72S87.8Confident88.4Confident45 Ų4561.6 Ų61.632%0.31533%0.326SS..Hα-helixtrans-60.7-44.2-179.9-172.10000112.3E68 L75 K76E68-S72 WeakPolarHBondContact O-CB 3.37Å; E68-S72 PolarHBondContact O-N 3.3Å; S72-L75 PolarHBondContact O-N 3.46Å; S72-K76 WeakPolarHBondContact O-CG 3.48Å; S72-K76 PolarHBondContact O-N 3.28Å
73S87.6Confident89.3Confident49 Ų4962.9 Ų62.934%0.34333%0.332SS..Hα-helixtrans-65.9-40.9176.254.20000112.4E69 V70 K71 K76 E77E69-S73 WeakPolarHBondContact O-CB 3.32Å; E69-S73 PolarHBondContact O-N 3.14Å; E69-S73 PolarHBondContact O-OG 2.63Å; V70-S73 WeakPolarHBondContact CA-OG 3.48Å; V70-S73 PolarHBondContact O-OG 2.69Å; K71-S73 PolarHBondContact O-N 3.34Å; S73-K76 PolarHBondContact O-N 2.92Å; S73-E77 PolarHBondContact O-N 3.49Å
74T90.7Very high89.9Confident7 Ų759.1 Ų59.14%0.04331%0.309CS..Hα-helixtrans-65.8-40.2176.8-53.80000111.6I55 V70 K71 K76 E77 I78 I103 L105I55-T74 HydrophobicContact CD1-CG2 3.71Å; V70-T74 VanDerWaalsContact O-CB 3.3Å; V70-T74 WeakPolarHBondContact O-CB 3.49Å; V70-T74 PolarHBondContact O-N 3.07Å; V70-T74 PolarHBondContact O-OG1 3.4Å; K71-T74 PolarHBondContact O-N 3.3Å; T74-K76 PolarHBondContact O-N 3.3Å; T74-E77 WeakPolarHBondContact O-CB 3.23Å; T74-E77 PolarHBondContact O-N 2.94Å; T74-I78 HydrophobicContact CG2-CD1 4.26Å; T74-I78 VanDerWaalsContact O-CG1 3.31Å; T74-I78 WeakPolarHBondContact O-CG1 3.36Å; T74-I78 PolarHBondContact O-N 3.36Å; T74-I103 HydrophobicContact CG2-CD1 3.77Å; T74-I103 HydrophobicContact CG2-CG2 3.96Å; T74-L105 HydrophobicContact CG2-CD1 4.38Å
75L90.4Very high90.4Very high80 Ų8059.8 Ų59.842%0.41930%0.296SS..Hα-helixtrans-63.4-40.7175.1-73.7171.7000111.7K71 S72 I78 Q79K71-L75 WeakPolarHBondContact O-CB 3.41Å; K71-L75 WeakPolarHBondContact O-CG 3.29Å; K71-L75 PolarHBondContact O-N 2.92Å; S72-L75 PolarHBondContact O-N 3.46Å; L75-I78 PolarHBondContact O-N 3.5Å; L75-Q79 VanDerWaalsContact O-CG 3.28Å; L75-Q79 WeakPolarHBondContact O-CG 3.4Å; L75-Q79 PolarHBondContact O-N 2.57Å
76K90.9Very high90.8Very high115 Ų11556.7 Ų56.750%0.530%0.3SS..Hα-helixtrans-62.2-42.6172.8-72.4172.3-176.1175.10111.7S72 S73 T74 I78 Q79 V80S72-K76 WeakPolarHBondContact O-CG 3.48Å; S72-K76 PolarHBondContact O-N 3.28Å; S73-K76 PolarHBondContact O-N 2.92Å; T74-K76 PolarHBondContact O-N 3.3Å; K76-I78 PolarHBondContact O-N 3.24Å; K76-Q79 PolarHBondContact O-N 3.48Å; K76-V80 WeakPolarHBondContact O-CG2 3.42Å; K76-V80 PolarHBondContact O-N 2.96Å
77E93.8Very high91.4Very high10 Ų1054.1 Ų54.15%0.04729%0.288CS..Hα-helixtrans-57.6-48.5174.8-174.3-179-176.800110.8K53 S73 T74 Q79 V80 L81 F172K53-E77 IonicContact NZ-OE1 3.7Å; K53-E77 PolarHBondContact NZ-OE1 2.93Å; K53-E77 VanDerWaalsContact NZ-OE1 3.1Å; K53-E77 IonicContact NZ-OE2 3.27Å; K53-E77 PolarHBondContact NZ-OE2 3.27Å; S73-E77 PolarHBondContact O-N 3.49Å; T74-E77 WeakPolarHBondContact O-CB 3.23Å; T74-E77 PolarHBondContact O-N 2.94Å; E77-Q79 PolarHBondContact O-N 3.05Å; E77-V80 PolarHBondContact O-N 3.36Å; E77-L81 HydrophobicContact CG-CD1 3.92Å; E77-L81 WeakPolarHBondContact O-CB 3.31Å; E77-L81 VanDerWaalsContact O-CG 3.32Å; E77-L81 WeakPolarHBondContact O-CG 3.42Å; E77-L81 PolarHBondContact O-N 3.3Å; E77-F172 HydrophobicContact CG-CB 3.96Å
78I94.4Very high92Very high22 Ų2256.6 Ų56.611%0.11331%0.309CS..Hα-helixtrans-60.2-44.6177.1-67.9166000111.3T74 L75 K76 L81 N82 L93 L105T74-I78 HydrophobicContact CG2-CD1 4.26Å; T74-I78 VanDerWaalsContact O-CG1 3.31Å; T74-I78 WeakPolarHBondContact O-CG1 3.36Å; T74-I78 PolarHBondContact O-N 3.36Å; L75-I78 PolarHBondContact O-N 3.5Å; K76-I78 PolarHBondContact O-N 3.24Å; I78-L81 PolarHBondContact O-N 3.05Å; I78-N82 WeakPolarHBondContact CG2-ND2 2.91Å; I78-N82 WeakPolarHBondContact O-CB 3.37Å; I78-N82 PolarHBondContact O-N 3.47Å; I78-N82 PolarHBondContact O-ND2 2.83Å; I78-N82 VanDerWaalsContact O-ND2 3.17Å; I78-L93 HydrophobicContact CB-CD2 4.36Å; I78-L93 HydrophobicContact CG1-CD2 4.31Å; I78-L93 HydrophobicContact CG2-CD2 3.92Å; I78-L105 HydrophobicContact CD1-CD2 3.73Å; I78-L105 HydrophobicContact CG1-CD2 3.71Å
79Q95.3Very high92.6Very high112 Ų11251.3 Ų51.352%0.52329%0.285SS..Hα-helixtrans-60.5-48.2178.5-75.7173.6-6.300111.4L75 K76 E77 N82 M83L75-Q79 VanDerWaalsContact O-CG 3.28Å; L75-Q79 WeakPolarHBondContact O-CG 3.4Å; L75-Q79 PolarHBondContact O-N 2.57Å; K76-Q79 PolarHBondContact O-N 3.48Å; E77-Q79 PolarHBondContact O-N 3.05Å; Q79-N82 PolarHBondContact O-N 2.86Å; Q79-M83 HydrophobicContact CB-CE 4.32Å; Q79-M83 WeakPolarHBondContact O-CG 3.19Å; Q79-M83 PolarHBondContact O-N 3.04Å
80V96.1Very high93.2Very high7 Ų746.3 Ų46.34%0.04226%0.262CS..Hα-helixtrans-59.5-49.6176.7166.40000110.7K76 E77 N82 M83 V84 I149 F172K76-V80 WeakPolarHBondContact O-CG2 3.42Å; K76-V80 PolarHBondContact O-N 2.96Å; E77-V80 PolarHBondContact O-N 3.36Å; V80-N82 VanDerWaalsContact C-N 3.27Å; V80-N82 PolarHBondContact O-N 3.03Å; V80-M83 PolarHBondContact O-N 2.85Å; V80-M83 VanDerWaalsContact O-N 3.1Å; V80-V84 WeakPolarHBondContact O-CG1 3.28Å; V80-V84 WeakPolarHBondContact O-CG2 3.44Å; V80-V84 PolarHBondContact O-N 3.15Å; V80-V84 VanDerWaalsContact O-N 3.07Å; V80-I149 HydrophobicContact CG1-CD1 4.29Å; V80-I149 HydrophobicContact CG1-CG2 3.98Å; V80-F172 HydrophobicContact CG1-CB 4.14Å; V80-F172 HydrophobicContact CG1-CD1 3.46Å; V80-F172 VanDerWaalsContact CG1-CD1 3.46Å; V80-F172 HydrophobicContact CG1-CE1 4.2Å; V80-F172 HydrophobicContact CG1-CG 4.06Å
81L96.4Very high93.7Very high1 Ų145.5 Ų45.51%0.00526%0.256CS..Hα-helixtrans-57.7-38.9178.8-78165.7000112.6E77 I78 K85 I91 L93 F107 F172E77-L81 HydrophobicContact CG-CD1 3.92Å; E77-L81 WeakPolarHBondContact O-CB 3.31Å; E77-L81 VanDerWaalsContact O-CG 3.32Å; E77-L81 WeakPolarHBondContact O-CG 3.42Å; E77-L81 PolarHBondContact O-N 3.3Å; I78-L81 PolarHBondContact O-N 3.05Å; L81-K85 PolarHBondContact O-N 2.99Å; L81-I91 HydrophobicContact CD2-CG2 3.92Å; L81-L93 HydrophobicContact CB-CB 3.97Å; L81-L93 HydrophobicContact CB-CD2 4.14Å; L81-L93 HydrophobicContact CD1-CB 4.28Å; L81-L93 HydrophobicContact CD1-CD2 4.29Å; L81-F107 HydrophobicContact CD1-CE1 3.76Å; L81-F107 HydrophobicContact CD1-CZ 3.97Å; L81-F107 HydrophobicContact CD2-CE1 4.32Å; L81-F172 HydrophobicContact CD2-CD2 3.52Å; L81-F172 HydrophobicContact CD2-CE2 3.93Å; L81-F172 HydrophobicContact CD2-CG 4.2Å; L81-F172 HydrophobicContact CG-CB 4.4Å; L81-F172 HydrophobicContact CG-CD2 4.2Å; L81-F172 HydrophobicContact CG-CG 4.44Å
82N95.6Very high94.2Very high84 Ų8445.3 Ų45.345%0.44926%0.258SS..Hα-helixtrans-69.2-38176.2-78.7-38.2000112.6I78 Q79 V80 V84 K85I78-N82 WeakPolarHBondContact CG2-ND2 2.91Å; I78-N82 WeakPolarHBondContact O-CB 3.37Å; I78-N82 PolarHBondContact O-N 3.47Å; I78-N82 PolarHBondContact O-ND2 2.83Å; I78-N82 VanDerWaalsContact O-ND2 3.17Å; Q79-N82 PolarHBondContact O-N 2.86Å; V80-N82 VanDerWaalsContact C-N 3.27Å; V80-N82 PolarHBondContact O-N 3.03Å; N82-V84 VanDerWaalsContact C-N 3.33Å; N82-V84 PolarHBondContact O-N 2.8Å; N82-K85 WeakPolarHBondContact O-CB 3.33Å
83M95.4Very high94.6Very high74 Ų7443.3 Ų43.337%0.36524%0.244SC..Hα-helixtrans-64.9-37.4176.2-69-177.6-14500112.3Q79 V80 I149Q79-M83 HydrophobicContact CB-CE 4.32Å; Q79-M83 WeakPolarHBondContact O-CG 3.19Å; Q79-M83 PolarHBondContact O-N 3.04Å; V80-M83 PolarHBondContact O-N 2.85Å; V80-M83 VanDerWaalsContact O-N 3.1Å; M83-I149 HydrophobicContact CB-CD1 4.41Å; M83-I149 HydrophobicContact SD-CD1 4.38Å
84V96.1Very high95Very high0 Ų043.2 Ų43.20%024%0.239CC..THydrogen-bonded Turntrans-94.23.2-173.5-53.30000113.1V80 N82 G86 I90 Y143 L144 I149V80-V84 WeakPolarHBondContact O-CG1 3.28Å; V80-V84 WeakPolarHBondContact O-CG2 3.44Å; V80-V84 PolarHBondContact O-N 3.15Å; V80-V84 VanDerWaalsContact O-N 3.07Å; N82-V84 VanDerWaalsContact C-N 3.33Å; N82-V84 PolarHBondContact O-N 2.8Å; V84-G86 PolarHBondContact O-N 3.25Å; V84-I90 HydrophobicContact CB-CD1 4.11Å; V84-I90 HydrophobicContact CG2-CD1 4.29Å; V84-I90 HydrophobicContact CG2-CG2 3.79Å; V84-Y143 HydrophobicContact CB-CD1 4.5Å; V84-Y143 HydrophobicContact CB-CE1 4.07Å; V84-L144 HydrophobicContact CB-CD2 4.09Å; V84-L144 HydrophobicContact CG1-CD2 3.44Å; V84-L144 VanDerWaalsContact CG1-CD2 3.44Å; V84-L144 HydrophobicContact CG2-CD2 4.46Å; V84-I149 HydrophobicContact CG1-CD1 3.61Å
85K94.2Very high95.3Very high100 Ų10044.8 Ų44.844%0.43525%0.247SC..THydrogen-bonded Turntrans-57.3133-179-173.6163.4-177.9161.10111L81 N82 T92 L93L81-K85 PolarHBondContact O-N 2.99Å; N82-K85 WeakPolarHBondContact O-CB 3.33Å; K85-T92 HydrophobicContact CD-CG2 4.45Å; K85-T92 HydrophobicContact CG-CG2 4.18Å; K85-L93 PolarHBondContact NZ-O 3.13Å
86G91.8Very high95.5Very high71 Ų7143.6 Ų43.673%0.73225%0.246SC*.THydrogen-bonded Turntrans107.3-14176.700000115.1V84V84-G86 PolarHBondContact O-N 3.25Å
87H96.6Very high95.6Very high33 Ų3339.6 Ų39.615%0.15323%0.228CC..  trans-72.6129.3173.6-168.5-86000111.3S89 I90 Y143H87-S89 PolarHBondContact ND1-N 3Å; H87-S89 PolarHBondContact O-N 3.02Å; H87-I90 HydrophobicContact CB-CB 4.21Å; H87-I90 HydrophobicContact CB-CD1 3.9Å; H87-I90 HydrophobicContact CB-CG1 4.1Å; H87-I90 PolarHBondContact O-N 2.81Å; H87-I90 VanDerWaalsContact O-N 3.15Å; H87-Y143 HydrophobicContact CB-CD1 3.78Å; H87-Y143 HydrophobicContact CB-CE1 3.79Å; H87-Y143 HydrophobicContact CB-CG 4.35Å; H87-Y143 AromaticContact CD2-CD1 3.81Å; H87-Y143 AromaticContact CD2-CD2 3.82Å; H87-Y143 AromaticContact CD2-CG 3.48Å; H87-Y143 VanDerWaalsContact CD2-CG 3.48Å; H87-Y143 AromaticContact CG-CD1 3.93Å
88S96.3Very high95.4Very high88 Ų8842.8 Ų42.862%0.61524%0.243SC*.THydrogen-bonded Turntrans-59.1-35.2-173.353.20000113.5K168S88-K168 PolarHBondContact O-NZ 3.11Å
89S97.7Very high95Very high10 Ų1042 Ų427%0.0724%0.239CC..THydrogen-bonded Turntrans-99.318.4-177.7-55.60000114.3H87 I167 K168 L169H87-S89 PolarHBondContact ND1-N 3Å; H87-S89 PolarHBondContact O-N 3.02Å; S89-I167 WeakPolarHBondContact CA-O 3.46Å; S89-K168 CarbonylContact O-C 3.51Å; S89-K168 WeakPolarHBondContact O-CA 3.45Å; S89-L169 PolarHBondContact O-N 2.97Å
90I98.2Very high94.4Very high3 Ų339 Ų392%0.01523%0.228CC..BIsolated β-bridgetrans-118.6146.1169.6-62.1174.5000108.5V84 H87 A140 Y143 L144 K168 F172V84-I90 HydrophobicContact CB-CD1 4.11Å; V84-I90 HydrophobicContact CG2-CD1 4.29Å; V84-I90 HydrophobicContact CG2-CG2 3.79Å; H87-I90 HydrophobicContact CB-CB 4.21Å; H87-I90 HydrophobicContact CB-CD1 3.9Å; H87-I90 HydrophobicContact CB-CG1 4.1Å; H87-I90 PolarHBondContact O-N 2.81Å; H87-I90 VanDerWaalsContact O-N 3.15Å; I90-A140 HydrophobicContact CD1-CB 4.36Å; I90-A140 HydrophobicContact CG1-CB 3.9Å; I90-Y143 HydrophobicContact CD1-CD1 3.86Å; I90-Y143 HydrophobicContact CD1-CE1 4.5Å; I90-L144 HydrophobicContact CD1-CD2 3.79Å; I90-L144 HydrophobicContact CD1-CG 4.17Å; I90-K168 PolarHBondContact O-NZ 2.77Å; I90-F172 HydrophobicContact CG2-CE2 3.77Å; I90-F172 HydrophobicContact CG2-CZ 3.59Å
91I96.8Very high93.8Very high9 Ų941.1 Ų41.15%0.04624%0.242CC..  trans-66.5133.7177.4-163.567.7000110.8L81 F107 D108 M110 K168 L169 F172L81-I91 HydrophobicContact CD2-CG2 3.92Å; I91-F107 HydrophobicContact CD1-CB 4.34Å; I91-F107 HydrophobicContact CG1-CB 3.96Å; I91-F107 HydrophobicContact CG1-CD1 3.76Å; I91-F107 HydrophobicContact CG1-CG 4.14Å; I91-F107 HydrophobicContact CG2-CD1 4.19Å; I91-F107 HydrophobicContact CG2-CE1 4.28Å; I91-D108 HydrophobicContact CD1-CB 3.99Å; I91-M110 HydrophobicContact CD1-CG 3.92Å; I91-M110 HydrophobicContact CD1-SD 4.24Å; I91-K168 HydrophobicContact CD1-CB 4.44Å; I91-K168 HydrophobicContact CD1-CD 4.01Å; I91-L169 WeakPolarHBondContact CB-O 3.47Å; I91-L169 WeakPolarHBondContact CG2-O 3.34Å; I91-L169 PolarHBondContact N-O 2.7Å; I91-F172 HydrophobicContact CG2-CE2 4.33Å
92T95.4Very high93.5Very high32 Ų3244.3 Ų44.320%0.19626%0.256CS..  trans-87.6120.6180-420000110.2K85 I94 F107 D108K85-T92 HydrophobicContact CD-CG2 4.45Å; K85-T92 HydrophobicContact CG-CG2 4.18Å; T92-I94 PolarHBondContact O-N 2.62Å; T92-F107 WeakPolarHBondContact O-CA 3.47Å; T92-F107 WeakPolarHBondContact O-CD1 3.48Å; T92-D108 WeakPolarHBondContact CB-OD2 3.24Å; T92-D108 PolarHBondContact OG1-OD2 2.89Å
93L96.9Very high93.3Very high2 Ų240.6 Ų40.61%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-74.4112.1161.4-17666.6000108.7I78 L81 K85 D95 L105 F107I78-L93 HydrophobicContact CB-CD2 4.36Å; I78-L93 HydrophobicContact CG1-CD2 4.31Å; I78-L93 HydrophobicContact CG2-CD2 3.92Å; L81-L93 HydrophobicContact CB-CB 3.97Å; L81-L93 HydrophobicContact CB-CD2 4.14Å; L81-L93 HydrophobicContact CD1-CB 4.28Å; L81-L93 HydrophobicContact CD1-CD2 4.29Å; K85-L93 PolarHBondContact NZ-O 3.13Å; L93-D95 WeakPolarHBondContact CD1-O 3.29Å; L93-L105 HydrophobicContact CD1-CB 3.9Å; L93-L105 HydrophobicContact CD1-CD2 4.26Å; L93-F107 HydrophobicContact CB-CD1 4.42Å; L93-F107 HydrophobicContact CB-CE1 4.06Å; L93-F107 HydrophobicContact CD1-CD1 4.24Å; L93-F107 HydrophobicContact CD1-CE1 3.7Å; L93-F107 HydrophobicContact CD1-CE2 4.5Å; L93-F107 HydrophobicContact CD1-CZ 3.85Å; L93-F107 HydrophobicContact CG-CE1 4.48Å
94I96.3Very high93.2Very high48 Ų4837.1 Ų37.125%0.24622%0.219CC..EExtended strand (participates in β ladder)trans-83.7-58-177.2-62.5172.6000109.3L50 T92 V106L50-I94 HydrophobicContact CD1-CD1 3.99Å; L50-I94 HydrophobicContact CD2-CD1 3.36Å; L50-I94 HydrophobicContact CG-CD1 4.25Å; T92-I94 PolarHBondContact O-N 2.62Å; I94-V106 HydrophobicContact CB-CG1 4.35Å; I94-V106 PolarHBondContact N-O 3.27Å
95D95.8Very high93.2Very high39 Ų3937.1 Ų37.121%0.20922%0.219CC..EExtended strand (participates in β ladder)trans-139.4156.7177.9-70.5-39.1000110.2K23 Y24 L93 Y97 V106K23-D95 WeakPolarHBondContact CE-OD2 3.46Å; K23-D95 IonicContact NZ-OD1 3.09Å; K23-D95 PolarHBondContact NZ-OD1 3.35Å; K23-D95 IonicContact NZ-OD2 3.24Å; K23-D95 PolarHBondContact NZ-OD2 2.81Å; Y24-D95 HydrophobicContact CE2-CB 4.47Å; Y24-D95 WeakPolarHBondContact CE2-OD2 3.32Å; Y24-D95 PolarHBondContact OH-OD2 3.36Å; L93-D95 WeakPolarHBondContact CD1-O 3.29Å; D95-Y97 HydrophobicContact CB-CE2 3.67Å; D95-Y97 PolarHBondContact OD2-OH 2.87Å; D95-V106 HydrophobicContact CB-CB 4.23Å; D95-V106 HydrophobicContact CB-CG2 4.28Å; D95-V106 PolarHBondContact O-N 3.39Å
96S95.1Very high93.4Very high56 Ų5632.4 Ų32.439%0.39220%0.198SC..EExtended strand (participates in β ladder)trans-135.1138.4170.557.90000110.3F104S96-F104 CarbonylContact C-O 3.57Å; S96-F104 VanDerWaalsContact CA-O 3.27Å; S96-F104 WeakPolarHBondContact CA-O 2.98Å
97Y93.8Very high93.6Very high30 Ų3030 Ų3012%0.11817%0.167CC..EExtended strand (participates in β ladder)trans-130.3135.4175.8-54.6-88.2000109.7E19 F20 K23 Y24 D95 I103 F104 V106E19-Y97 HydrophobicContact CB-CD1 3.79Å; E19-Y97 HydrophobicContact CB-CE1 3.83Å; F20-Y97 HydrophobicContact CB-CD2 3.91Å; F20-Y97 HydrophobicContact CB-CE2 4.39Å; F20-Y97 HydrophobicContact CB-CG 4.03Å; F20-Y97 AromaticContact CD2-CD2 3.97Å; F20-Y97 HydrophobicContact CD2-CD2 3.97Å; F20-Y97 HydrophobicContact CD2-CE2 4.17Å; F20-Y97 HydrophobicContact CG-CD2 4.43Å; K23-Y97 VanDerWaalsContact CD-OH 3.32Å; K23-Y97 WeakPolarHBondContact CD-OH 3.41Å; Y24-Y97 HydrophobicContact CD2-CE2 4.16Å; Y24-Y97 AromaticContact CE2-CE2 3.85Å; Y24-Y97 HydrophobicContact CE2-CE2 3.85Å; D95-Y97 HydrophobicContact CB-CE2 3.67Å; D95-Y97 PolarHBondContact OD2-OH 2.87Å; Y97-I103 WeakPolarHBondContact O-CA 3.48Å; Y97-F104 HydrophobicContact CD2-CB 4.33Å; Y97-F104 PolarHBondContact N-O 2.88Å; Y97-F104 PolarHBondContact O-N 3.27Å; Y97-V106 HydrophobicContact CE2-CG2 4.35Å
98E89.8Confident93.5Very high78 Ų7830.3 Ų30.336%0.36417%0.17SC..EExtended strand (participates in β ladder)trans-115.7132.5176.5-178.4173.3177.100109.8G16 K71 I103G16-E98 WeakPolarHBondContact CA-O 3.28Å; K71-E98 IonicContact NZ-OE1 2.9Å; E98-I103 HydrophobicContact CG-CG1 4.29Å
99S86.2Confident93.5Very high5 Ų527.5 Ų27.54%0.03515%0.148CC..  trans-125.4174.2167.266.20000108.6D13 I57 T101 F102D13-S99 WeakPolarHBondContact O-CB 3.31Å; I57-S99 WeakPolarHBondContact CD1-O 3.44Å; S99-T101 PolarHBondContact O-N 2.81Å; S99-F102 PolarHBondContact N-O 2.8Å; S99-F102 WeakPolarHBondContact OG-CA 3.47Å; S99-F102 PolarHBondContact OG-N 3.5Å; S99-F102 PolarHBondContact OG-O 3.42Å
100T81.1Confident93.4Very high48 Ų4827.9 Ų27.929%0.29415%0.149SC..SBendtrans-69.3-20.817952.50000114.3D13D13-T100 WeakPolarHBondContact CA-OG1 3.44Å; D13-T100 WeakPolarHBondContact CB-OG1 3.44Å; D13-T100 WeakPolarHBondContact OD1-CB 3.43Å; D13-T100 WeakPolarHBondContact OD1-CG2 3.47Å; D13-T100 PolarHBondContact OD1-OG1 2.89Å
101T84.6Confident93.1Very high53 Ų5334.1 Ų34.133%0.32517%0.172SC..SBendtrans-112.4-23.3-176.748.80000113.5I57 T58 S99I57-T101 VanDerWaalsContact CG1-C 3.4Å; I57-T101 WeakPolarHBondContact CG1-O 3.29Å; I57-T101 PolarHBondContact N-O 2.87Å; T58-T101 HydrophobicContact CG2-CG2 4.2Å; S99-T101 PolarHBondContact O-N 2.81Å
102F89.1Confident92.9Very high68 Ų6838.2 Ų38.230%0.29819%0.187SC..EExtended strand (participates in β ladder)trans-142.6146.1-177.5-58.8-77000113.1I54 I55 E56 S99 F104I54-F102 HydrophobicContact CG2-CB 4.3Å; I54-F102 HydrophobicContact CG2-CD1 3.86Å; I54-F102 HydrophobicContact CG2-CG 4.33Å; I55-F102 CarbonylContact O-C 3.48Å; I55-F102 VanDerWaalsContact O-CA 3.23Å; I55-F102 WeakPolarHBondContact O-CA 3.19Å; E56-F102 HydrophobicContact CB-CD1 4.13Å; E56-F102 HydrophobicContact CB-CE1 3.93Å; E56-F102 HydrophobicContact CG-CD1 4.25Å; E56-F102 HydrophobicContact CG-CE1 3.71Å; E56-F102 HydrophobicContact CG-CZ 4.45Å; S99-F102 PolarHBondContact N-O 2.8Å; S99-F102 WeakPolarHBondContact OG-CA 3.47Å; S99-F102 PolarHBondContact OG-N 3.5Å; S99-F102 PolarHBondContact OG-O 3.42Å; F102-F104 HydrophobicContact CB-CD2 4.36Å; F102-F104 HydrophobicContact CB-CE2 3.63Å; F102-F104 HydrophobicContact CB-CZ 3.71Å; F102-F104 HydrophobicContact CG-CZ 4.29Å
103I92Very high92.8Very high5 Ų538 Ų383%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-111130.2164.4-55.3173.4000108.3I54 I55 I57 T74 Y97 E98 L105I54-I103 WeakPolarHBondContact CA-O 3.45Å; I55-I103 HydrophobicContact CB-CB 4.3Å; I55-I103 PolarHBondContact N-O 3.01Å; I55-I103 PolarHBondContact O-N 3.21Å; I57-I103 HydrophobicContact CD1-CD1 4.16Å; I57-I103 HydrophobicContact CD1-CG1 3.85Å; I57-I103 HydrophobicContact CG1-CG1 4.4Å; I57-I103 HydrophobicContact CG2-CD1 4.23Å; I57-I103 HydrophobicContact CG2-CG1 4.49Å; T74-I103 HydrophobicContact CG2-CD1 3.77Å; T74-I103 HydrophobicContact CG2-CG2 3.96Å; Y97-I103 WeakPolarHBondContact O-CA 3.48Å; E98-I103 HydrophobicContact CG-CG1 4.29Å; I103-L105 HydrophobicContact CG2-CD2 3.96Å; I103-L105 HydrophobicContact CG2-CG 4.34Å
104F94.5Very high92.7Very high2 Ų240.8 Ų40.81%0.00920%0.204CC..EExtended strand (participates in β ladder)trans-111.7120.2179-55.5-95.8000109.5A17 F20 V52 I54 S96 Y97 F102A17-F104 HydrophobicContact CB-CE2 4.28Å; F20-F104 HydrophobicContact CB-CD2 4.36Å; F20-F104 HydrophobicContact CB-CG 4.27Å; F20-F104 AromaticContact CD1-CD1 3.72Å; F20-F104 HydrophobicContact CD1-CD1 3.72Å; F20-F104 AromaticContact CD1-CE1 3.8Å; F20-F104 HydrophobicContact CD1-CE1 3.8Å; F20-F104 HydrophobicContact CD1-CG 4.29Å; F20-F104 HydrophobicContact CD1-CZ 4.41Å; F20-F104 HydrophobicContact CD2-CB 4.05Å; F20-F104 HydrophobicContact CD2-CD1 4.14Å; F20-F104 HydrophobicContact CD2-CG 4.19Å; F20-F104 AromaticContact CE1-CD1 3.94Å; F20-F104 HydrophobicContact CE1-CD1 3.94Å; F20-F104 HydrophobicContact CE1-CE1 4.07Å; F20-F104 HydrophobicContact CE2-CD1 4.34Å; F20-F104 HydrophobicContact CG-CB 4.29Å; F20-F104 AromaticContact CG-CD1 3.84Å; F20-F104 HydrophobicContact CG-CD1 3.84Å; F20-F104 HydrophobicContact CG-CD2 4.49Å; F20-F104 HydrophobicContact CG-CE1 4.3Å; F20-F104 AromaticContact CG-CG 3.96Å; F20-F104 HydrophobicContact CG-CG 3.96Å; F20-F104 HydrophobicContact CZ-CD1 4.25Å; V52-F104 HydrophobicContact CG2-CB 4.1Å; V52-F104 HydrophobicContact CG2-CD1 4.22Å; I54-F104 HydrophobicContact CB-CD1 4.46Å; I54-F104 HydrophobicContact CD1-CD1 4.33Å; I54-F104 HydrophobicContact CD1-CE1 4.19Å; I54-F104 HydrophobicContact CG1-CD1 3.88Å; I54-F104 HydrophobicContact CG1-CE1 4.14Å; I54-F104 HydrophobicContact CG2-CD1 4.07Å; I54-F104 HydrophobicContact CG2-CE1 3.81Å; I54-F104 HydrophobicContact CG2-CZ 4.44Å; S96-F104 CarbonylContact C-O 3.57Å; S96-F104 VanDerWaalsContact CA-O 3.27Å; S96-F104 WeakPolarHBondContact CA-O 2.98Å; Y97-F104 HydrophobicContact CD2-CB 4.33Å; Y97-F104 PolarHBondContact N-O 2.88Å; Y97-F104 PolarHBondContact O-N 3.27Å; F102-F104 HydrophobicContact CB-CD2 4.36Å; F102-F104 HydrophobicContact CB-CE2 3.63Å; F102-F104 HydrophobicContact CB-CZ 3.71Å; F102-F104 HydrophobicContact CG-CZ 4.29Å
105L95.6Very high92.7Very high0 Ų038.5 Ų38.50%019%0.192CC..EExtended strand (participates in β ladder)trans-115.2117.9175-54.1-178.3000109.1V52 K53 I55 T74 I78 L93 I103 F107V52-L105 CarbonylContact C-O 3.58Å; V52-L105 VanDerWaalsContact CA-O 3.3Å; V52-L105 WeakPolarHBondContact CA-O 3.29Å; K53-L105 HydrophobicContact CB-CB 4.33Å; K53-L105 HydrophobicContact CD-CD1 4.49Å; K53-L105 PolarHBondContact N-O 2.94Å; K53-L105 PolarHBondContact O-N 2.71Å; I55-L105 HydrophobicContact CD1-CD1 4.15Å; T74-L105 HydrophobicContact CG2-CD1 4.38Å; I78-L105 HydrophobicContact CD1-CD2 3.73Å; I78-L105 HydrophobicContact CG1-CD2 3.71Å; L93-L105 HydrophobicContact CD1-CB 3.9Å; L93-L105 HydrophobicContact CD1-CD2 4.26Å; I103-L105 HydrophobicContact CG2-CD2 3.96Å; I103-L105 HydrophobicContact CG2-CG 4.34Å; L105-F107 HydrophobicContact CB-CD2 4.31Å; L105-F107 HydrophobicContact CB-CE2 3.4Å; L105-F107 VanDerWaalsContact CB-CE2 3.4Å; L105-F107 HydrophobicContact CB-CZ 3.69Å; L105-F107 HydrophobicContact CD1-CE2 4.42Å; L105-F107 HydrophobicContact CD1-CZ 4.17Å; L105-F107 WeakPolarHBondContact O-CD2 3.21Å; L105-F107 WeakPolarHBondContact O-CE2 3.43Å
106V97.5Very high92.5Very high0 Ų037.6 Ų37.60%019%0.187CC..EExtended strand (participates in β ladder)trans-99.2128.8-176.5-174.50000109.9F20 Y24 L50 A51 V52 I94 D95 Y97F20-V106 HydrophobicContact CD2-CG2 4.34Å; F20-V106 HydrophobicContact CE2-CG2 4.11Å; Y24-V106 HydrophobicContact CD2-CG2 4.27Å; Y24-V106 HydrophobicContact CE1-CG1 4.16Å; Y24-V106 HydrophobicContact CE2-CG2 4.01Å; L50-V106 HydrophobicContact CB-CG1 4.1Å; L50-V106 HydrophobicContact CD1-CG1 3.7Å; A51-V106 CarbonylContact O-C 3.52Å; A51-V106 WeakPolarHBondContact O-CA 3.28Å; V52-V106 HydrophobicContact CG2-CG2 4.26Å; I94-V106 HydrophobicContact CB-CG1 4.35Å; I94-V106 PolarHBondContact N-O 3.27Å; D95-V106 HydrophobicContact CB-CB 4.23Å; D95-V106 HydrophobicContact CB-CG2 4.28Å; D95-V106 PolarHBondContact O-N 3.39Å; Y97-V106 HydrophobicContact CE2-CG2 4.35Å
107F97Very high92.2Very high20 Ų2037.7 Ų37.79%0.08818%0.183CC..EExtended strand (participates in β ladder)trans-130.9165.9-174-60.8-80.2000112.4L50 A51 K53 L81 I91 T92 L93 L105L50-F107 WeakPolarHBondContact CB-O 3.42Å; A51-F107 PolarHBondContact N-O 3.1Å; A51-F107 PolarHBondContact O-N 2.68Å; K53-F107 HydrophobicContact CB-CD2 4.46Å; K53-F107 HydrophobicContact CB-CE2 3.94Å; K53-F107 HydrophobicContact CD-CE2 4.47Å; L81-F107 HydrophobicContact CD1-CE1 3.76Å; L81-F107 HydrophobicContact CD1-CZ 3.97Å; L81-F107 HydrophobicContact CD2-CE1 4.32Å; I91-F107 HydrophobicContact CD1-CB 4.34Å; I91-F107 HydrophobicContact CG1-CB 3.96Å; I91-F107 HydrophobicContact CG1-CD1 3.76Å; I91-F107 HydrophobicContact CG1-CG 4.14Å; I91-F107 HydrophobicContact CG2-CD1 4.19Å; I91-F107 HydrophobicContact CG2-CE1 4.28Å; T92-F107 WeakPolarHBondContact O-CA 3.47Å; T92-F107 WeakPolarHBondContact O-CD1 3.48Å; L93-F107 HydrophobicContact CB-CD1 4.42Å; L93-F107 HydrophobicContact CB-CE1 4.06Å; L93-F107 HydrophobicContact CD1-CD1 4.24Å; L93-F107 HydrophobicContact CD1-CE1 3.7Å; L93-F107 HydrophobicContact CD1-CE2 4.5Å; L93-F107 HydrophobicContact CD1-CZ 3.85Å; L93-F107 HydrophobicContact CG-CE1 4.48Å; L105-F107 HydrophobicContact CB-CD2 4.31Å; L105-F107 HydrophobicContact CB-CE2 3.4Å; L105-F107 VanDerWaalsContact CB-CE2 3.4Å; L105-F107 HydrophobicContact CB-CZ 3.69Å; L105-F107 HydrophobicContact CD1-CE2 4.42Å; L105-F107 HydrophobicContact CD1-CZ 4.17Å; L105-F107 WeakPolarHBondContact O-CD2 3.21Å; L105-F107 WeakPolarHBondContact O-CE2 3.43Å
108D94.5Very high92.1Very high41 Ų4137.3 Ų37.322%0.21918%0.182CC..EExtended strand (participates in β ladder)trans-54.7137.8164.4-63.3-45.8000110.8I91 T92 M110 K168I91-D108 HydrophobicContact CD1-CB 3.99Å; T92-D108 WeakPolarHBondContact CB-OD2 3.24Å; T92-D108 PolarHBondContact OG1-OD2 2.89Å; D108-M110 PolarHBondContact O-N 3.24Å; D108-K168 IonicContact OD2-NZ 3.52Å
109L95.4Very high92.2Very high29 Ų2933.7 Ų33.715%0.15216%0.164CC..  trans-81119.5176-179.263.5000111.1I30 R40 E49 A51 R111I30-L109 HydrophobicContact CD1-CD1 3.82Å; R40-L109 HydrophobicContact CG-CD1 4.47Å; R40-L109 HydrophobicContact CG-CD2 4.05Å; E49-L109 HydrophobicContact CB-CD2 3.89Å; A51-L109 HydrophobicContact CB-CD1 4.16Å; L109-R111 HydrophobicContact CD2-CG 4.2Å; L109-R111 HydrophobicContact CG-CG 4.19Å
110M95.8Very high92.2Very high18 Ų1833.5 Ų33.59%0.08916%0.163CC..  trans-100.287.7178.3-56.9-58.4-73.100110.6I91 D108 R112 G113 L160 L161 D162 K168I91-M110 HydrophobicContact CD1-CG 3.92Å; I91-M110 HydrophobicContact CD1-SD 4.24Å; D108-M110 PolarHBondContact O-N 3.24Å; M110-R112 VanDerWaalsContact C-N 3.29Å; M110-R112 PolarHBondContact O-N 2.93Å; M110-G113 PolarHBondContact O-N 2.83Å; M110-L160 HydrophobicContact CB-CB 3.65Å; M110-L160 HydrophobicContact CB-CD1 4.07Å; M110-L160 HydrophobicContact CB-CG 4.41Å; M110-L160 HydrophobicContact CE-CB 3.97Å; M110-L160 WeakPolarHBondContact CE-O 3.41Å; M110-L160 HydrophobicContact CG-CB 3.6Å; M110-L160 HydrophobicContact CG-CD1 3.73Å; M110-L160 HydrophobicContact CG-CG 4.32Å; M110-L161 CarbonylContact C-O 3.58Å; M110-L161 VanDerWaalsContact CE-C 3.45Å; M110-D162 HydrophobicContact CE-CB 3.92Å; M110-D162 VanDerWaalsContact CE-N 3.3Å; M110-D162 HydrophobicContact SD-CB 4.41Å; M110-K168 HydrophobicContact CE-CB 3.74Å; M110-K168 HydrophobicContact CE-CD 3.92Å; M110-K168 HydrophobicContact CE-CG 3.71Å; M110-K168 HydrophobicContact SD-CB 4.36Å; M110-K168 HydrophobicContact SD-CD 3.69Å; M110-K168 HydrophobicContact SD-CG 4.18Å
111R92.8Very high92.5Very high133 Ų13336 Ų3650%0.50217%0.172SC..THydrogen-bonded Turntrans-64.5-27.5-167.6-61-165.1-167.4-93.9-2.8115.1E49 L109 G113 D163E49-R111 IonicContact OE2-CZ 2.91Å; E49-R111 IonicContact OE2-NH1 3.34Å; E49-R111 PolarHBondContact OE2-NH1 3.18Å; E49-R111 IonicContact OE2-NH2 3.75Å; E49-R111 PolarHBondContact OE2-NH2 3.3Å; L109-R111 HydrophobicContact CD2-CG 4.2Å; L109-R111 HydrophobicContact CG-CG 4.19Å; R111-G113 PolarHBondContact O-N 3.41Å; R111-D163 VanDerWaalsContact CB-OD1 3.29Å; R111-D163 WeakPolarHBondContact CB-OD1 3.46Å; R111-D163 VanDerWaalsContact CD-OD1 3.24Å; R111-D163 WeakPolarHBondContact CD-OD1 3.37Å; R111-D163 VanDerWaalsContact CD-OD2 3.28Å; R111-D163 WeakPolarHBondContact CD-OD2 3.37Å; R111-D163 IonicContact NE-OD2 3.67Å; R111-D163 PolarHBondContact NE-OD2 3.14Å
112R92.6Very high92.7Very high95 Ų9538.2 Ų38.236%0.35818%0.177SC..THydrogen-bonded Turntrans-85.63.2177.9-61.6-172.770.7-139.8-6.4112.5M110 L161 D162M110-R112 VanDerWaalsContact C-N 3.29Å; M110-R112 PolarHBondContact O-N 2.93Å; R112-L161 HydrophobicContact CB-CB 3.69Å; R112-L161 WeakPolarHBondContact CB-O 3.22Å; R112-L161 PolarHBondContact N-O 3.49Å; R112-L161 VanDerWaalsContact N-O 3.13Å; R112-D162 WeakPolarHBondContact CD-O 3.32Å; R112-D162 VanDerWaalsContact CG-O 3.28Å; R112-D162 WeakPolarHBondContact CG-O 3.39Å
113G93.1Very high92.6Very high27 Ų2735.5 Ų35.528%0.27817%0.166SC..  trans66.9-144.8172.800000112.5M110 R111 L160 L161M110-G113 PolarHBondContact O-N 2.83Å; R111-G113 PolarHBondContact O-N 3.41Å; G113-L160 CarbonylContact O-C 3.58Å; G113-L160 VanDerWaalsContact O-CA 3.3Å; G113-L160 WeakPolarHBondContact O-CA 3.44Å; G113-L161 PolarHBondContact O-N 3.07Å
114E94.1Very high92.5Very high61 Ų6136 Ų3629%0.28517%0.169SC..BIsolated β-bridgetrans-82144.7-173.7-58.5171.8-155.900112.2F116 D117 Y118 E157 L160E114-F116 HydrophobicContact CB-CB 4.43Å; E114-F116 PolarHBondContact O-N 3.02Å; E114-D117 PolarHBondContact O-N 3.3Å; E114-Y118 PolarHBondContact O-N 2.9Å; E114-Y118 VanDerWaalsContact O-N 3.13Å; E114-E157 WeakPolarHBondContact CG-O 3.45Å; E114-L160 HydrophobicContact CG-CD2 3.93Å
115L95.7Very high92.5Very high0 Ų036 Ų360%017%0.169CC..Hα-helixtrans-62.4-28.2172.3176.261.9000111.3Y118 L119 I133 P156 I159 L161 L226L115-Y118 HydrophobicContact CD1-CD1 4.02Å; L115-Y118 PolarHBondContact O-N 3.17Å; L115-L119 WeakPolarHBondContact O-CB 3.45Å; L115-L119 PolarHBondContact O-N 3.27Å; L115-I133 HydrophobicContact CD1-CD1 3.96Å; L115-I133 HydrophobicContact CD2-CG2 3.83Å; L115-P156 HydrophobicContact CB-CB 4.49Å; L115-P156 WeakPolarHBondContact CB-O 3.19Å; L115-P156 HydrophobicContact CG-CB 4.43Å; L115-P156 PolarHBondContact N-O 3.23Å; L115-I159 HydrophobicContact CB-CB 3.98Å; L115-I159 HydrophobicContact CB-CG2 4.07Å; L115-I159 VanDerWaalsContact CB-O 3.22Å; L115-I159 WeakPolarHBondContact CB-O 3.36Å; L115-I159 HydrophobicContact CD2-CB 4.02Å; L115-I159 HydrophobicContact CD2-CD1 4.02Å; L115-I159 HydrophobicContact CD2-CG2 3.79Å; L115-I159 PolarHBondContact N-O 2.91Å; L115-L161 HydrophobicContact CB-CD1 4.36Å; L115-L161 HydrophobicContact CD1-CD1 4.09Å; L115-L226 HydrophobicContact CD1-CD2 4.07Å; L115-L226 HydrophobicContact CD2-CD1 4.41Å; L115-L226 HydrophobicContact CD2-CD2 3.91Å; L115-L226 HydrophobicContact CG-CD2 4Å
116F92.3Very high92.4Very high21 Ų2138.9 Ų38.99%0.09219%0.189CC..Hα-helixtrans-58.7-51.6172.2-176.6-95.4000112.3E114 Y118 L119 T120 P156 E157E114-F116 HydrophobicContact CB-CB 4.43Å; E114-F116 PolarHBondContact O-N 3.02Å; F116-Y118 VanDerWaalsContact C-N 3.31Å; F116-Y118 PolarHBondContact O-N 3.42Å; F116-L119 PolarHBondContact O-N 2.8Å; F116-T120 VanDerWaalsContact O-CB 3.24Å; F116-T120 WeakPolarHBondContact O-CB 3.34Å; F116-T120 PolarHBondContact O-N 3.09Å; F116-T120 PolarHBondContact O-OG1 2.98Å; F116-P156 HydrophobicContact CB-CB 3.93Å; F116-P156 HydrophobicContact CD2-CB 4.4Å; F116-P156 PolarHBondContact N-O 3.32Å; F116-P156 VanDerWaalsContact N-O 3.16Å; F116-E157 HydrophobicContact CB-CG 3.89Å; F116-E157 HydrophobicContact CD2-CG 4.32Å; F116-E157 HydrophobicContact CG-CG 4.04Å
117D88.8Confident92.3Very high58 Ų5840.4 Ų40.431%0.3120%0.196SC..Hα-helixtrans-63.3-40.9178.6-79-21.3000110.5E114 T120 E121E114-D117 PolarHBondContact O-N 3.3Å; D117-T120 WeakPolarHBondContact O-CB 3.34Å; D117-T120 PolarHBondContact O-N 2.91Å; D117-T120 VanDerWaalsContact O-N 3.12Å; D117-E121 PolarHBondContact O-N 3.35Å
118Y92.6Very high92.2Very high22 Ų2247.5 Ų47.59%0.08623%0.227CC..Hα-helixtrans-62.4-48.6176.5-179.1-114.4000113.4E114 L115 F116 T120 E121 K122 L125 E129 L161E114-Y118 PolarHBondContact O-N 2.9Å; E114-Y118 VanDerWaalsContact O-N 3.13Å; L115-Y118 HydrophobicContact CD1-CD1 4.02Å; L115-Y118 PolarHBondContact O-N 3.17Å; F116-Y118 VanDerWaalsContact C-N 3.31Å; F116-Y118 PolarHBondContact O-N 3.42Å; Y118-T120 PolarHBondContact O-N 2.89Å; Y118-E121 PolarHBondContact O-N 2.93Å; Y118-K122 HydrophobicContact CD2-CG 4.27Å; Y118-K122 HydrophobicContact CE1-CG 4.29Å; Y118-K122 HydrophobicContact CE2-CD 4.3Å; Y118-K122 VanDerWaalsContact CE2-CE 3.49Å; Y118-K122 HydrophobicContact CE2-CG 3.74Å; Y118-K122 WeakPolarHBondContact O-CB 3.42Å; Y118-K122 WeakPolarHBondContact O-CG 3.46Å; Y118-K122 PolarHBondContact O-N 2.7Å; Y118-K122 WeakPolarHBondContact OH-CE 3.25Å; Y118-L125 HydrophobicContact CD1-CD2 4.26Å; Y118-L125 HydrophobicContact CE1-CD1 4.38Å; Y118-L125 HydrophobicContact CE1-CD2 3.77Å; Y118-E129 WeakPolarHBondContact CE1-OE1 3.41Å; Y118-E129 VanDerWaalsContact CZ-OE1 3.23Å; Y118-E129 PolarHBondContact OH-OE1 2.78Å; Y118-L161 VanDerWaalsContact CB-CD1 3.46Å; Y118-L161 HydrophobicContact CD1-CD1 3.85Å; Y118-L161 HydrophobicContact CG-CD1 3.68Å
119L91.9Very high92.2Very high1 Ų148.3 Ų48.31%0.00523%0.229CC..Hα-helixtrans-58.5-38.5172.8174.564.4000110L115 F116 K122 V123 L125 T225 L226L115-L119 WeakPolarHBondContact O-CB 3.45Å; L115-L119 PolarHBondContact O-N 3.27Å; F116-L119 PolarHBondContact O-N 2.8Å; L119-K122 CarbonylContact O-C 3.5Å; L119-K122 PolarHBondContact O-N 3.39Å; L119-V123 WeakPolarHBondContact O-CA 3.48Å; L119-V123 PolarHBondContact O-N 3.08Å; L119-L125 HydrophobicContact CD1-CD2 4.46Å; L119-L125 HydrophobicContact CD1-CG 4.04Å; L119-T225 HydrophobicContact CD2-CG2 3.88Å; L119-L226 HydrophobicContact CD1-CD2 4.46Å; L119-L226 HydrophobicContact CD2-CD2 4.26Å
120T85.4Confident92.3Very high1 Ų146.9 Ų46.91%0.00622%0.222CC..Hα-helixtrans-67.5-40.9-174.6-63.80000112F116 D117 Y118 F355 R370F116-T120 VanDerWaalsContact O-CB 3.24Å; F116-T120 WeakPolarHBondContact O-CB 3.34Å; F116-T120 PolarHBondContact O-N 3.09Å; F116-T120 PolarHBondContact O-OG1 2.98Å; D117-T120 WeakPolarHBondContact O-CB 3.34Å; D117-T120 PolarHBondContact O-N 2.91Å; D117-T120 VanDerWaalsContact O-N 3.12Å; Y118-T120 PolarHBondContact O-N 2.89Å; T120-F355 HydrophobicContact CG2-CD1 3.58Å; T120-F355 HydrophobicContact CG2-CD2 3.34Å; T120-F355 HydrophobicContact CG2-CE1 3.44Å; T120-F355 VanDerWaalsContact CG2-CE1 3.44Å; T120-F355 HydrophobicContact CG2-CE2 3.22Å; T120-F355 HydrophobicContact CG2-CG 3.52Å; T120-F355 HydrophobicContact CG2-CZ 3.26Å; T120-R370 PolarHBondContact O-NH1 3.22Å
121E87.4Confident92.4Very high102 Ų10249.3 Ų49.348%0.47723%0.23SC..Hα-helixtrans-63.6-42.8171.3-167.1-164.8167.400112.2D117 Y118D117-E121 PolarHBondContact O-N 3.35Å; Y118-E121 PolarHBondContact O-N 2.93Å
122K87.8Confident92.5Very high99 Ų9946.8 Ų46.843%0.4323%0.233SC..Hα-helixtrans-81.7-14.3-176.2-68.3-67-174.9-178.50114.7Y118 L119 T124 L125Y118-K122 HydrophobicContact CD2-CG 4.27Å; Y118-K122 HydrophobicContact CE1-CG 4.29Å; Y118-K122 HydrophobicContact CE2-CD 4.3Å; Y118-K122 VanDerWaalsContact CE2-CE 3.49Å; Y118-K122 HydrophobicContact CE2-CG 3.74Å; Y118-K122 WeakPolarHBondContact O-CB 3.42Å; Y118-K122 WeakPolarHBondContact O-CG 3.46Å; Y118-K122 PolarHBondContact O-N 2.7Å; Y118-K122 WeakPolarHBondContact OH-CE 3.25Å; L119-K122 CarbonylContact O-C 3.5Å; L119-K122 PolarHBondContact O-N 3.39Å; K122-T124 PolarHBondContact O-N 3.25Å; K122-L125 HydrophobicContact CB-CD2 3.81Å; K122-L125 HydrophobicContact CG-CD2 4.1Å
123V87.7Confident92.8Very high11 Ų1142.8 Ų42.87%0.06722%0.218CC..SBendtrans67.7-51.2-173.2176.30000113.8L119 G229 K348 D351 R370L119-V123 WeakPolarHBondContact O-CA 3.48Å; L119-V123 PolarHBondContact O-N 3.08Å; V123-G229 WeakPolarHBondContact O-CA 3.47Å; V123-K348 HydrophobicContact CG1-CG 4.48Å; V123-D351 HydrophobicContact CG1-CB 4.34Å; V123-D351 HydrophobicContact CG2-CB 3.79Å; V123-R370 VanDerWaalsContact CA-NH2 3.33Å
124T90.1Very high93Very high15 Ų1541.5 Ų41.59%0.09221%0.205CC..SBendtrans-148.4146.3176.948.60000109.7K122 L227 K348K122-T124 PolarHBondContact O-N 3.25Å; T124-L227 WeakPolarHBondContact CG2-O 3.5Å; T124-K348 VanDerWaalsContact OG1-CE 3.26Å; T124-K348 WeakPolarHBondContact OG1-CE 3.31Å; T124-K348 PolarHBondContact OG1-NZ 3.25Å
125L93.8Very high93.2Very high3 Ų342.7 Ų42.72%0.01621%0.207CC..  trans-94.4156.9175.6-56-171.8000112.1Y118 L119 K122 E129 T130 I133 L226 R260Y118-L125 HydrophobicContact CD1-CD2 4.26Å; Y118-L125 HydrophobicContact CE1-CD1 4.38Å; Y118-L125 HydrophobicContact CE1-CD2 3.77Å; L119-L125 HydrophobicContact CD1-CD2 4.46Å; L119-L125 HydrophobicContact CD1-CG 4.04Å; K122-L125 HydrophobicContact CB-CD2 3.81Å; K122-L125 HydrophobicContact CG-CD2 4.1Å; L125-E129 HydrophobicContact CD1-CG 4.36Å; L125-T130 WeakPolarHBondContact CB-OG1 3.37Å; L125-I133 HydrophobicContact CD1-CD1 3.66Å; L125-L226 HydrophobicContact CD1-CB 4.33Å; L125-L226 HydrophobicContact CD1-CD2 3.81Å; L125-L226 HydrophobicContact CD1-CG 4.49Å; L125-L226 PolarHBondContact N-O 2.94Å; L125-R260 VanDerWaalsContact O-CZ 3.31Å; L125-R260 PolarHBondContact O-NH1 2.93Å; L125-R260 PolarHBondContact O-NH2 3.44Å
126S94.5Very high93.4Very high59 Ų5943.4 Ų43.441%0.41321%0.213SC..  trans-75.1153.5171.672.60000110.5K128 E129 T130S126-K128 PolarHBondContact O-N 3.28Å; S126-E129 PolarHBondContact O-N 3.14Å; S126-E129 VanDerWaalsContact O-N 3.15Å; S126-E129 WeakPolarHBondContact OG-CB 3.47Å; S126-E129 PolarHBondContact OG-N 3.35Å; S126-T130 WeakPolarHBondContact O-CB 3.36Å; S126-T130 PolarHBondContact O-N 3.19Å; S126-T130 PolarHBondContact O-OG1 3Å; S126-T130 VanDerWaalsContact O-OG1 3.04Å
127E95.3Very high93.7Very high32 Ų3242.4 Ų42.415%0.1521%0.208CC..Hα-helixtrans-59.6-30.6175.3-77.8-174.7-142.600112.8R131 L227 R260 S261 V264 F290E127-R131 WeakPolarHBondContact O-CB 3.25Å; E127-R131 PolarHBondContact O-N 2.82Å; E127-L227 HydrophobicContact CG-CD2 3.91Å; E127-R260 WeakPolarHBondContact OE1-CA 3.43Å; E127-S261 PolarHBondContact OE1-N 3.4Å; E127-S261 PolarHBondContact OE1-OG 2.94Å; E127-S261 PolarHBondContact OE2-OG 2.97Å; E127-V264 HydrophobicContact CG-CG1 4.37Å; E127-F290 HydrophobicContact CB-CE2 4.43Å
128K94.3Very high94.1Very high169 Ų16939.6 Ų39.674%0.73519%0.194SC*.Hα-helixtrans-62.1-48.2176.2-177.5-178.4176.3-1760111.4S126 S132S126-K128 PolarHBondContact O-N 3.28Å; K128-S132 PolarHBondContact O-N 3.16Å
129E95Very high94.4Very high58 Ų5841.8 Ų41.827%0.27120%0.204SC..Hα-helixtrans-70.6-47.1-179.5-175.3171.9-156.800111.4Y118 L125 S126 R131 S132 I133Y118-E129 WeakPolarHBondContact CE1-OE1 3.41Å; Y118-E129 VanDerWaalsContact CZ-OE1 3.23Å; Y118-E129 PolarHBondContact OH-OE1 2.78Å; L125-E129 HydrophobicContact CD1-CG 4.36Å; S126-E129 PolarHBondContact O-N 3.14Å; S126-E129 VanDerWaalsContact O-N 3.15Å; S126-E129 WeakPolarHBondContact OG-CB 3.47Å; S126-E129 PolarHBondContact OG-N 3.35Å; E129-R131 VanDerWaalsContact C-N 3.25Å; E129-R131 PolarHBondContact O-N 2.91Å; E129-S132 WeakPolarHBondContact O-CB 3.3Å; E129-S132 PolarHBondContact O-N 2.72Å; E129-I133 HydrophobicContact CG-CD1 4.13Å; E129-I133 PolarHBondContact O-N 2.85Å
130T97.2Very high94.7Very high0 Ų041.7 Ų41.70%020%0.204CC..Hα-helixtrans-56.9-39.2174.3-57.20000111.8L125 S126 S132 I133 M134 L223 L226 L227L125-T130 WeakPolarHBondContact CB-OG1 3.37Å; S126-T130 WeakPolarHBondContact O-CB 3.36Å; S126-T130 PolarHBondContact O-N 3.19Å; S126-T130 PolarHBondContact O-OG1 3Å; S126-T130 VanDerWaalsContact O-OG1 3.04Å; T130-S132 VanDerWaalsContact C-N 3.34Å; T130-S132 PolarHBondContact O-N 3.48Å; T130-I133 PolarHBondContact O-N 2.74Å; T130-M134 HydrophobicContact CG2-CG 3.92Å; T130-M134 VanDerWaalsContact O-CB 3.26Å; T130-M134 WeakPolarHBondContact O-CB 3.41Å; T130-M134 VanDerWaalsContact O-CG 3.28Å; T130-M134 WeakPolarHBondContact O-CG 3.34Å; T130-M134 PolarHBondContact O-N 3.22Å; T130-L223 HydrophobicContact CG2-CD1 3.48Å; T130-L223 VanDerWaalsContact CG2-CD1 3.48Å; T130-L226 HydrophobicContact CG2-CB 4.05Å; T130-L226 HydrophobicContact CG2-CD1 4.11Å; T130-L227 HydrophobicContact CG2-CD1 4.46Å; T130-L227 HydrophobicContact CG2-CD2 4.06Å; T130-L227 HydrophobicContact CG2-CG 4.05Å; T130-L227 WeakPolarHBondContact OG1-CD2 3.26Å
131R97.2Very high95.4Very high69 Ų6941.7 Ų41.726%0.2620%0.204SC..Hα-helixtrans-61.2-41.6175.7-175.6-173.4-61.8103.98.1112.3E127 E129 R135 F290 F291E127-R131 WeakPolarHBondContact O-CB 3.25Å; E127-R131 PolarHBondContact O-N 2.82Å; E129-R131 VanDerWaalsContact C-N 3.25Å; E129-R131 PolarHBondContact O-N 2.91Å; R131-R135 VanDerWaalsContact O-CB 3.22Å; R131-R135 WeakPolarHBondContact O-CB 3.19Å; R131-R135 PolarHBondContact O-N 2.78Å; R131-F290 HydrophobicContact CB-CE1 3.75Å; R131-F290 HydrophobicContact CB-CZ 3.69Å; R131-F290 VanDerWaalsContact CD-O 3.27Å; R131-F290 WeakPolarHBondContact CD-O 3.46Å; R131-F290 HydrophobicContact CG-CD1 4.33Å; R131-F290 HydrophobicContact CG-CE1 3.95Å; R131-F290 HydrophobicContact CG-CZ 4.25Å; R131-F290 PolarHBondContact NE-O 2.79Å; R131-F291 HydrophobicContact CG-CD1 3.8Å; R131-F291 HydrophobicContact CG-CE1 4.22Å
132S96.3Very high95.9Very high80 Ų8040.3 Ų40.356%0.55920%0.198SC*.Hα-helixtrans-64.5-48.2178.2-163.30000111.2K128 E129 T130 A136K128-S132 PolarHBondContact O-N 3.16Å; E129-S132 WeakPolarHBondContact O-CB 3.3Å; E129-S132 PolarHBondContact O-N 2.72Å; T130-S132 VanDerWaalsContact C-N 3.34Å; T130-S132 PolarHBondContact O-N 3.48Å; S132-A136 PolarHBondContact O-N 3.05Å
133I97.9Very high96.4Very high10 Ų1038.8 Ų38.85%0.05119%0.19CC..Hα-helixtrans-62.6-50.4179.3-69.7165.5000110.9L115 L125 E129 T130 R135 A136 L137 I167 L226L115-I133 HydrophobicContact CD1-CD1 3.96Å; L115-I133 HydrophobicContact CD2-CG2 3.83Å; L125-I133 HydrophobicContact CD1-CD1 3.66Å; E129-I133 HydrophobicContact CG-CD1 4.13Å; E129-I133 PolarHBondContact O-N 2.85Å; T130-I133 PolarHBondContact O-N 2.74Å; I133-R135 VanDerWaalsContact C-N 3.32Å; I133-R135 PolarHBondContact O-N 2.97Å; I133-A136 PolarHBondContact O-N 3.42Å; I133-L137 WeakPolarHBondContact O-CB 3.15Å; I133-L137 PolarHBondContact O-N 3.05Å; I133-I167 HydrophobicContact CG1-CG2 4.17Å; I133-I167 HydrophobicContact CG2-CG2 4.1Å; I133-L226 HydrophobicContact CG2-CD1 3.97Å
134M98.6Very high96.9Very high0 Ų038.3 Ų38.30%019%0.187CC..Hα-helixtrans-69.1-29.9-176.8-71.1-56.9-5200113T130 L137 L138 C219 I222 L223 L226 F291T130-M134 HydrophobicContact CG2-CG 3.92Å; T130-M134 VanDerWaalsContact O-CB 3.26Å; T130-M134 WeakPolarHBondContact O-CB 3.41Å; T130-M134 VanDerWaalsContact O-CG 3.28Å; T130-M134 WeakPolarHBondContact O-CG 3.34Å; T130-M134 PolarHBondContact O-N 3.22Å; M134-L137 HydrophobicContact CE-CD2 3.91Å; M134-L137 HydrophobicContact SD-CD2 3.99Å; M134-L138 WeakPolarHBondContact O-CB 3.24Å; M134-L138 VanDerWaalsContact O-CG 3.27Å; M134-L138 WeakPolarHBondContact O-CG 3.21Å; M134-L138 PolarHBondContact O-N 2.99Å; M134-C219 HydrophobicContact CE-CB 4.04Å; M134-C219 WeakPolarHBondContact CE-O 3.33Å; M134-I222 HydrophobicContact SD-CG2 3.88Å; M134-L223 HydrophobicContact CE-CB 3.98Å; M134-L223 HydrophobicContact CG-CB 4.24Å; M134-L223 HydrophobicContact CG-CD1 3.94Å; M134-L223 HydrophobicContact SD-CB 4.03Å; M134-L226 HydrophobicContact CG-CD1 4.34Å; M134-L226 HydrophobicContact SD-CD1 4.04Å; M134-F291 HydrophobicContact CB-CE1 3.97Å; M134-F291 HydrophobicContact CB-CZ 3.9Å
135R98.3Very high97.3Very high86 Ų8638.8 Ų38.833%0.32519%0.188SC..Hα-helixtrans-62.2-54.8172.9176.1-177-73.1-134.23.3110.1R131 I133 L137 L138 E139 L286 F291R131-R135 VanDerWaalsContact O-CB 3.22Å; R131-R135 WeakPolarHBondContact O-CB 3.19Å; R131-R135 PolarHBondContact O-N 2.78Å; I133-R135 VanDerWaalsContact C-N 3.32Å; I133-R135 PolarHBondContact O-N 2.97Å; R135-L137 PolarHBondContact O-N 3.3Å; R135-L138 PolarHBondContact O-N 2.7Å; R135-E139 WeakPolarHBondContact CD-OE1 3.45Å; R135-E139 HydrophobicContact CG-CG 4.39Å; R135-E139 WeakPolarHBondContact CG-OE1 3.13Å; R135-E139 WeakPolarHBondContact O-CB 3.47Å; R135-E139 WeakPolarHBondContact O-CG 3.27Å; R135-E139 PolarHBondContact O-N 2.85Å; R135-L286 HydrophobicContact CG-CD2 4.14Å; R135-F291 HydrophobicContact CB-CD1 3.85Å; R135-F291 HydrophobicContact CB-CE1 3.91Å; R135-F291 PolarHBondContact NH2-O 3.23Å
136A98.4Very high97.5Very high15 Ų1542.6 Ų42.612%0.12422%0.215CC..Hα-helixtrans-59.2-36.817900000112.1S132 I133 A140 I167S132-A136 PolarHBondContact O-N 3.05Å; I133-A136 PolarHBondContact O-N 3.42Å; A136-A140 WeakPolarHBondContact O-CB 3.41Å; A136-A140 PolarHBondContact O-N 3.15Å; A136-I167 HydrophobicContact CB-CD1 3.94Å; A136-I167 HydrophobicContact CB-CG1 3.59Å
137L98.8Very high97.6Very high0 Ų043.5 Ų43.50%021%0.211CC..Hα-helixtrans-67.1-47.7177.3179.361.9000111.1I133 M134 R135 E139 A140 V141 I159 I167 L169 I222I133-L137 WeakPolarHBondContact O-CB 3.15Å; I133-L137 PolarHBondContact O-N 3.05Å; M134-L137 HydrophobicContact CE-CD2 3.91Å; M134-L137 HydrophobicContact SD-CD2 3.99Å; R135-L137 PolarHBondContact O-N 3.3Å; L137-E139 VanDerWaalsContact C-N 3.34Å; L137-E139 PolarHBondContact O-N 2.76Å; L137-A140 WeakPolarHBondContact O-CB 3.3Å; L137-A140 PolarHBondContact O-N 3.36Å; L137-V141 HydrophobicContact CD1-CG2 4.42Å; L137-V141 WeakPolarHBondContact O-CG2 3.49Å; L137-V141 PolarHBondContact O-N 3.46Å; L137-I159 HydrophobicContact CD1-CD1 3.96Å; L137-I159 HydrophobicContact CD1-CG1 4.33Å; L137-I159 HydrophobicContact CD2-CD1 3.82Å; L137-I159 HydrophobicContact CG-CD1 4.49Å; L137-I167 HydrophobicContact CB-CD1 3.82Å; L137-L169 HydrophobicContact CD1-CD1 4.35Å; L137-I222 HydrophobicContact CD2-CD1 3.99Å; L137-I222 HydrophobicContact CD2-CG2 4.29Å
138L98.8Very high97.7Very high0 Ų043.6 Ų43.60%022%0.216CC..Hα-helixtrans-67.6-33.8179-72.8168.1000112.2M134 R135 V141 Q142 L216 C219 A285 L286 F291M134-L138 WeakPolarHBondContact O-CB 3.24Å; M134-L138 VanDerWaalsContact O-CG 3.27Å; M134-L138 WeakPolarHBondContact O-CG 3.21Å; M134-L138 PolarHBondContact O-N 2.99Å; R135-L138 PolarHBondContact O-N 2.7Å; L138-V141 PolarHBondContact O-N 3.29Å; L138-Q142 VanDerWaalsContact O-CB 3.25Å; L138-Q142 WeakPolarHBondContact O-CB 3.5Å; L138-Q142 PolarHBondContact O-N 2.83Å; L138-L216 HydrophobicContact CD2-CD1 3.74Å; L138-C219 HydrophobicContact CD2-CB 4.2Å; L138-A285 HydrophobicContact CD1-CB 3.89Å; L138-A285 HydrophobicContact CD2-CB 4.12Å; L138-L286 HydrophobicContact CB-CD1 4.33Å; L138-L286 HydrophobicContact CB-CD2 3.76Å; L138-L286 HydrophobicContact CB-CG 3.85Å; L138-L286 HydrophobicContact CD1-CD2 4.5Å; L138-F291 HydrophobicContact CD1-CE2 3.49Å; L138-F291 VanDerWaalsContact CD1-CE2 3.49Å; L138-F291 HydrophobicContact CD1-CZ 3.47Å; L138-F291 VanDerWaalsContact CD1-CZ 3.47Å
139E98.6Very high97.8Very high67 Ų6735.6 Ų35.631%0.31318%0.181SC..Hα-helixtrans-62.5-45.5171.3-75.2165.9178.100110.8R135 L137 Q142 Y143 L286R135-E139 WeakPolarHBondContact CD-OE1 3.45Å; R135-E139 HydrophobicContact CG-CG 4.39Å; R135-E139 WeakPolarHBondContact CG-OE1 3.13Å; R135-E139 WeakPolarHBondContact O-CB 3.47Å; R135-E139 WeakPolarHBondContact O-CG 3.27Å; R135-E139 PolarHBondContact O-N 2.85Å; L137-E139 VanDerWaalsContact C-N 3.34Å; L137-E139 PolarHBondContact O-N 2.76Å; E139-Q142 PolarHBondContact O-N 3.07Å; E139-Y143 WeakPolarHBondContact O-CB 3.3Å; E139-Y143 PolarHBondContact O-N 2.85Å; E139-L286 HydrophobicContact CG-CD1 3.98Å; E139-L286 HydrophobicContact CG-CD2 3.96Å
140A98.6Very high98Very high0 Ų032.8 Ų32.80%017%0.168CC..Hα-helixtrans-61.1-45.6173.800000112.1I90 A136 L137 Y143 L144 L169I90-A140 HydrophobicContact CD1-CB 4.36Å; I90-A140 HydrophobicContact CG1-CB 3.9Å; A136-A140 WeakPolarHBondContact O-CB 3.41Å; A136-A140 PolarHBondContact O-N 3.15Å; L137-A140 WeakPolarHBondContact O-CB 3.3Å; L137-A140 PolarHBondContact O-N 3.36Å; A140-Y143 WeakPolarHBondContact O-CB 3.47Å; A140-Y143 PolarHBondContact O-N 3.41Å; A140-L144 WeakPolarHBondContact O-CG 3.22Å; A140-L144 PolarHBondContact O-N 3.4Å; A140-L169 HydrophobicContact CB-CD2 4.41Å
141V98.8Very high98Very high0 Ų032.8 Ų32.80%017%0.168CC..Hα-helixtrans-64.1-42.5177.8172.30000111.4L137 L138 Y143 L144 H145 L154 D215 L216 A282L137-V141 HydrophobicContact CD1-CG2 4.42Å; L137-V141 WeakPolarHBondContact O-CG2 3.49Å; L137-V141 PolarHBondContact O-N 3.46Å; L138-V141 PolarHBondContact O-N 3.29Å; V141-Y143 VanDerWaalsContact C-N 3.29Å; V141-Y143 PolarHBondContact O-N 2.83Å; V141-L144 PolarHBondContact O-N 2.87Å; V141-H145 VanDerWaalsContact CG1-CE1 3.45Å; V141-H145 WeakPolarHBondContact CG1-CE1 3.22Å; V141-H145 WeakPolarHBondContact O-CB 3.4Å; V141-H145 PolarHBondContact O-CD2 3.36Å; V141-H145 VanDerWaalsContact O-CD2 3.3Å; V141-H145 PolarHBondContact O-N 3.3Å; V141-L154 HydrophobicContact CG2-CD1 3.73Å; V141-D215 HydrophobicContact CG1-CB 4.12Å; V141-L216 HydrophobicContact CG1-CD2 4.12Å; V141-A282 HydrophobicContact CG1-CB 4.22Å
142Q98.6Very high98Very high74 Ų7430.4 Ų30.435%0.34616%0.159SC..Hα-helixtrans-57.5-45173.7-176.6-176.742.100110.9L138 E139 H145 S146 A282 L286L138-Q142 VanDerWaalsContact O-CB 3.25Å; L138-Q142 WeakPolarHBondContact O-CB 3.5Å; L138-Q142 PolarHBondContact O-N 2.83Å; E139-Q142 PolarHBondContact O-N 3.07Å; Q142-H145 PolarHBondContact O-N 2.93Å; Q142-S146 PolarHBondContact O-N 3Å; Q142-A282 HydrophobicContact CB-CB 3.77Å; Q142-A282 HydrophobicContact CG-CB 4.49Å; Q142-L286 HydrophobicContact CB-CD1 4.38Å
143Y98.6Very high98Very high67 Ų6726.8 Ų26.826%0.26313%0.133SC..Hα-helixtrans-60.7-49.9177.1-174-105.5000111.3V84 H87 I90 E139 A140 V141 H145 S146 F147V84-Y143 HydrophobicContact CB-CD1 4.5Å; V84-Y143 HydrophobicContact CB-CE1 4.07Å; H87-Y143 HydrophobicContact CB-CD1 3.78Å; H87-Y143 HydrophobicContact CB-CE1 3.79Å; H87-Y143 HydrophobicContact CB-CG 4.35Å; H87-Y143 AromaticContact CD2-CD1 3.81Å; H87-Y143 AromaticContact CD2-CD2 3.82Å; H87-Y143 AromaticContact CD2-CG 3.48Å; H87-Y143 VanDerWaalsContact CD2-CG 3.48Å; H87-Y143 AromaticContact CG-CD1 3.93Å; I90-Y143 HydrophobicContact CD1-CD1 3.86Å; I90-Y143 HydrophobicContact CD1-CE1 4.5Å; E139-Y143 WeakPolarHBondContact O-CB 3.3Å; E139-Y143 PolarHBondContact O-N 2.85Å; A140-Y143 WeakPolarHBondContact O-CB 3.47Å; A140-Y143 PolarHBondContact O-N 3.41Å; V141-Y143 VanDerWaalsContact C-N 3.29Å; V141-Y143 PolarHBondContact O-N 2.83Å; Y143-H145 VanDerWaalsContact C-N 3.31Å; Y143-H145 PolarHBondContact O-N 2.96Å; Y143-S146 WeakPolarHBondContact O-CB 3.33Å; Y143-S146 PolarHBondContact O-N 3.3Å; Y143-S146 VanDerWaalsContact O-N 3.14Å; Y143-S146 PolarHBondContact O-OG 2.82Å; Y143-F147 HydrophobicContact CD1-CE2 4.24Å; Y143-F147 HydrophobicContact CD2-CE2 4.09Å; Y143-F147 HydrophobicContact CE1-CD2 4.36Å; Y143-F147 AromaticContact CE1-CE2 3.76Å; Y143-F147 HydrophobicContact CE1-CE2 3.76Å; Y143-F147 AromaticContact CE2-CE2 3.61Å; Y143-F147 HydrophobicContact CE2-CE2 3.61Å; Y143-F147 HydrophobicContact CE2-CZ 4.24Å; Y143-F147 HydrophobicContact CG-CE2 4.39Å; Y143-F147 AromaticContact CZ-CE2 3.42Å; Y143-F147 VanDerWaalsContact CZ-CE2 3.42Å; Y143-F147 VanDerWaalsContact O-CD2 3.29Å; Y143-F147 WeakPolarHBondContact O-CD2 3.12Å
144L98.4Very high98Very high0 Ų026.4 Ų26.40%013%0.131CC..Hα-helixtrans-54.8-46.9174.7-65.9-179000112.2V84 I90 A140 V141 S146 F147 S148 I149 H151 L169 F172V84-L144 HydrophobicContact CB-CD2 4.09Å; V84-L144 HydrophobicContact CG1-CD2 3.44Å; V84-L144 VanDerWaalsContact CG1-CD2 3.44Å; V84-L144 HydrophobicContact CG2-CD2 4.46Å; I90-L144 HydrophobicContact CD1-CD2 3.79Å; I90-L144 HydrophobicContact CD1-CG 4.17Å; A140-L144 WeakPolarHBondContact O-CG 3.22Å; A140-L144 PolarHBondContact O-N 3.4Å; V141-L144 PolarHBondContact O-N 2.87Å; L144-S146 PolarHBondContact O-N 3.35Å; L144-F147 PolarHBondContact O-N 3.11Å; L144-S148 PolarHBondContact O-N 2.93Å; L144-I149 CarbonylContact C-O 3.47Å; L144-I149 HydrophobicContact CB-CB 4.33Å; L144-I149 HydrophobicContact CD2-CG2 4.28Å; L144-I149 PolarHBondContact O-N 2.89Å; L144-H151 HydrophobicContact CD1-CB 4.28Å; L144-L169 HydrophobicContact CD1-CD2 3.92Å; L144-F172 HydrophobicContact CD1-CE1 3.83Å; L144-F172 HydrophobicContact CD1-CZ 4.39Å; L144-F172 HydrophobicContact CD2-CE1 3.69Å; L144-F172 HydrophobicContact CD2-CZ 4.29Å; L144-F172 HydrophobicContact CG-CE1 4.41Å
145H97.9Very high97.9Very high25 Ų2527.8 Ų27.812%0.11614%0.137CC..Hα-helixtrans-66.3-26.3-177.1-72.2-168.7000112.5V141 Q142 Y143 F147 S148 I149 K212 D215 L216V141-H145 VanDerWaalsContact CG1-CE1 3.45Å; V141-H145 WeakPolarHBondContact CG1-CE1 3.22Å; V141-H145 WeakPolarHBondContact O-CB 3.4Å; V141-H145 PolarHBondContact O-CD2 3.36Å; V141-H145 VanDerWaalsContact O-CD2 3.3Å; V141-H145 PolarHBondContact O-N 3.3Å; Q142-H145 PolarHBondContact O-N 2.93Å; Y143-H145 VanDerWaalsContact C-N 3.31Å; Y143-H145 PolarHBondContact O-N 2.96Å; H145-F147 VanDerWaalsContact C-N 3.29Å; H145-F147 PolarHBondContact O-N 3.43Å; H145-S148 PolarHBondContact O-N 2.81Å; H145-S148 VanDerWaalsContact O-N 3.09Å; H145-I149 PolarHBondContact CD2-O 3.05Å; H145-K212 HydrophobicContact CB-CD 4.05Å; H145-K212 PolarHBondContact CE1-O 3.14Å; H145-K212 PolarHBondContact O-NZ 3.23Å; H145-D215 IonicContact CD2-OD2 3.69Å; H145-D215 IonicContact CE1-OD2 3.17Å; H145-D215 IonicContact NE2-OD2 3.81Å; H145-D215 PolarHBondContact NE2-OD2 3.32Å; H145-L216 WeakPolarHBondContact CE1-CD2 3.44Å
146S97.1Very high97.8Very high84 Ų8423.7 Ų23.759%0.58712%0.122SC*.Hα-helixtrans-67-27.7173.580.10000113.5Q142 Y143 L144 S148Q142-S146 PolarHBondContact O-N 3Å; Y143-S146 WeakPolarHBondContact O-CB 3.33Å; Y143-S146 PolarHBondContact O-N 3.3Å; Y143-S146 VanDerWaalsContact O-N 3.14Å; Y143-S146 PolarHBondContact O-OG 2.82Å; L144-S146 PolarHBondContact O-N 3.35Å; S146-S148 VanDerWaalsContact C-N 3.31Å
147F96.7Very high97.6Very high77 Ų7724.5 Ų24.534%0.33812%0.123SC..THydrogen-bonded Turntrans-91.27.9171.3-66.2-81.4000113.5Y143 L144 H145 I149 Q177Y143-F147 HydrophobicContact CD1-CE2 4.24Å; Y143-F147 HydrophobicContact CD2-CE2 4.09Å; Y143-F147 HydrophobicContact CE1-CD2 4.36Å; Y143-F147 AromaticContact CE1-CE2 3.76Å; Y143-F147 HydrophobicContact CE1-CE2 3.76Å; Y143-F147 AromaticContact CE2-CE2 3.61Å; Y143-F147 HydrophobicContact CE2-CE2 3.61Å; Y143-F147 HydrophobicContact CE2-CZ 4.24Å; Y143-F147 HydrophobicContact CG-CE2 4.39Å; Y143-F147 AromaticContact CZ-CE2 3.42Å; Y143-F147 VanDerWaalsContact CZ-CE2 3.42Å; Y143-F147 VanDerWaalsContact O-CD2 3.29Å; Y143-F147 WeakPolarHBondContact O-CD2 3.12Å; L144-F147 PolarHBondContact O-N 3.11Å; H145-F147 VanDerWaalsContact C-N 3.29Å; H145-F147 PolarHBondContact O-N 3.43Å; F147-I149 HydrophobicContact CB-CD1 3.76Å; F147-I149 HydrophobicContact CB-CG1 4.04Å; F147-I149 PolarHBondContact O-N 3.32Å; F147-Q177 PolarHBondContact O-NE2 2.84Å
148S97.1Very high97.5Very high35 Ų3525 Ų2525%0.24513%0.126CC..THydrogen-bonded Turntrans59.127.6-170.9-63.10000115.3L144 H145 S146 Q177 L178 K212L144-S148 PolarHBondContact O-N 2.93Å; H145-S148 PolarHBondContact O-N 2.81Å; H145-S148 VanDerWaalsContact O-N 3.09Å; S146-S148 VanDerWaalsContact C-N 3.31Å; S148-Q177 WeakPolarHBondContact O-CA 3Å; S148-L178 VanDerWaalsContact CB-O 3.24Å; S148-L178 WeakPolarHBondContact CB-O 3.26Å; S148-L178 PolarHBondContact O-N 3.42Å; S148-K212 VanDerWaalsContact CA-NZ 3.34Å; S148-K212 PolarHBondContact OG-NZ 3.46Å
149I97.9Very high97.4Very high0 Ų025 Ų250%013%0.126CC..EExtended strand (participates in β ladder)trans-90.1132175.4-62.7164.9000109.3V80 M83 V84 L144 H145 F147 V176 Q177V80-I149 HydrophobicContact CG1-CD1 4.29Å; V80-I149 HydrophobicContact CG1-CG2 3.98Å; M83-I149 HydrophobicContact CB-CD1 4.41Å; M83-I149 HydrophobicContact SD-CD1 4.38Å; V84-I149 HydrophobicContact CG1-CD1 3.61Å; L144-I149 CarbonylContact C-O 3.47Å; L144-I149 HydrophobicContact CB-CB 4.33Å; L144-I149 HydrophobicContact CD2-CG2 4.28Å; L144-I149 PolarHBondContact O-N 2.89Å; H145-I149 PolarHBondContact CD2-O 3.05Å; F147-I149 HydrophobicContact CB-CD1 3.76Å; F147-I149 HydrophobicContact CB-CG1 4.04Å; F147-I149 PolarHBondContact O-N 3.32Å; I149-V176 WeakPolarHBondContact CA-O 3.27Å; I149-Q177 HydrophobicContact CG1-CB 4.11Å; I149-Q177 HydrophobicContact CG1-CG 4.23Å
150V97.8Very high97.4Very high0 Ų023.5 Ų23.50%012%0.12CC..EExtended strand (participates in β ladder)trans-110.1132.7171.3-169.30000108.6R152 S175 V176 L178 K212 V214 D215V150-R152 HydrophobicContact CB-CG 4.16Å; V150-R152 HydrophobicContact CG1-CG 3.64Å; V150-S175 VanDerWaalsContact O-CA 3.22Å; V150-S175 WeakPolarHBondContact O-CA 3.34Å; V150-V176 PolarHBondContact N-O 3.49Å; V150-V176 PolarHBondContact O-N 2.51Å; V150-V176 VanDerWaalsContact O-N 3.08Å; V150-L178 HydrophobicContact CG2-CD1 3.48Å; V150-L178 VanDerWaalsContact CG2-CD1 3.48Å; V150-L178 HydrophobicContact CG2-CG 3.88Å; V150-K212 HydrophobicContact CG2-CB 4.22Å; V150-K212 HydrophobicContact CG2-CG 3.74Å; V150-V214 HydrophobicContact CG1-CG2 3.72Å; V150-D215 WeakPolarHBondContact CG1-OD2 3.49Å
151H98.2Very high97.3Very high0 Ų023.6 Ų23.60%012%0.12CC..  trans-80.6-42.2-176.6-171.7-57.2000113.3L144 D153 L154 S170 D171 F172 S175 D215L144-H151 HydrophobicContact CD1-CB 4.28Å; H151-D153 PolarHBondContact ND1-N 2.77Å; H151-D153 PolarHBondContact O-N 3.19Å; H151-D153 VanDerWaalsContact O-N 3.07Å; H151-L154 HydrophobicContact CB-CD2 3.86Å; H151-L154 HydrophobicContact CB-CG 4.05Å; H151-L154 VanDerWaalsContact CG-CD2 3.5Å; H151-S170 PolarHBondContact NE2-O 2.97Å; H151-D171 PolarHBondContact CE1-O 2.9Å; H151-D171 PolarHBondContact NE2-O 3.4Å; H151-F172 AromaticContact CD2-CE1 3.98Å; H151-S175 WeakPolarHBondContact CA-OG 3.28Å; H151-D215 PolarHBondContact N-OD1 2.82Å; H151-D215 PolarHBondContact N-OD2 2.89Å
152R96.8Very high97Very high18 Ų1825.3 Ų25.37%0.06813%0.129CC..SBendtrans66.8-5176.1-53-166.7-68.1164.55.3118V150 F174 V176 E186 C188 Y210 D215V150-R152 HydrophobicContact CB-CG 4.16Å; V150-R152 HydrophobicContact CG1-CG 3.64Å; R152-F174 HydrophobicContact CB-CB 4.35Å; R152-F174 PolarHBondContact NE-O 3.21Å; R152-F174 PolarHBondContact NH2-O 3.15Å; R152-V176 VanDerWaalsContact NH2-CG2 3.29Å; R152-E186 IonicContact CZ-OE2 3.92Å; R152-E186 IonicContact NH1-OE2 3.16Å; R152-E186 PolarHBondContact NH1-OE2 2.71Å; R152-E186 IonicContact NH2-OE2 3.9Å; R152-E186 PolarHBondContact NH2-OE2 3.35Å; R152-E186 VanDerWaalsContact NH2-OE2 3.11Å; R152-C188 PolarHBondContact NH1-SG 2.98Å; R152-C188 VanDerWaalsContact NH1-SG 3.39Å; R152-Y210 HydrophobicContact CG-CE2 4.49Å; R152-Y210 PolarHBondContact NH1-OH 2.8Å; R152-D215 PolarHBondContact N-OD1 2.9Å
153D96.4Very high96.6Very high5 Ų526.3 Ų26.33%0.02714%0.137CC..  trans-141.845.7177.2-16442.3000111.7H151 K155 N158 F174 G189 T190H151-D153 PolarHBondContact ND1-N 2.77Å; H151-D153 PolarHBondContact O-N 3.19Å; H151-D153 VanDerWaalsContact O-N 3.07Å; D153-K155 PolarHBondContact O-N 3.3Å; D153-K155 IonicContact OD1-NZ 3.71Å; D153-K155 WeakPolarHBondContact OD2-CE 3.45Å; D153-K155 IonicContact OD2-NZ 3.24Å; D153-K155 PolarHBondContact OD2-NZ 2.9Å; D153-N158 PolarHBondContact O-ND2 3.25Å; D153-N158 PolarHBondContact OD2-ND2 3.36Å; D153-N158 VanDerWaalsContact OD2-ND2 3.1Å; D153-F174 HydrophobicContact CB-CB 4.34Å; D153-F174 HydrophobicContact CB-CD2 3.74Å; D153-F174 HydrophobicContact CB-CG 4.36Å; D153-G189 WeakPolarHBondContact OD1-CA 3.34Å; D153-T190 WeakPolarHBondContact OD1-CB 3.34Å; D153-T190 PolarHBondContact OD1-N 3.04Å; D153-T190 PolarHBondContact OD1-OG1 2.74Å
154L98.3Very high96.2Very high1 Ų130.5 Ų30.51%0.00516%0.159CC..  trans-71.4119.4173.8-64.4-179.1000110.4V141 H151 L169 D215 A218 I222V141-L154 HydrophobicContact CG2-CD1 3.73Å; H151-L154 HydrophobicContact CB-CD2 3.86Å; H151-L154 HydrophobicContact CB-CG 4.05Å; H151-L154 VanDerWaalsContact CG-CD2 3.5Å; L154-L169 HydrophobicContact CD2-CD1 3.49Å; L154-L169 VanDerWaalsContact CD2-CD1 3.49Å; L154-L169 HydrophobicContact CD2-CD2 3.84Å; L154-L169 HydrophobicContact CD2-CG 4.28Å; L154-D215 HydrophobicContact CD1-CB 3.64Å; L154-D215 WeakPolarHBondContact CD1-O 3.32Å; L154-A218 HydrophobicContact CB-CB 3.76Å; L154-I222 HydrophobicContact CB-CD1 4.1Å
155K96.5Very high95.7Very high30 Ų3031.6 Ų31.613%0.1317%0.17CC..  trans-156.5159.8177.164.3-166.5-172.9-149.50110.5D153 E157 N158 T190 Y193D153-K155 PolarHBondContact O-N 3.3Å; D153-K155 IonicContact OD1-NZ 3.71Å; D153-K155 WeakPolarHBondContact OD2-CE 3.45Å; D153-K155 IonicContact OD2-NZ 3.24Å; D153-K155 PolarHBondContact OD2-NZ 2.9Å; K155-E157 VanDerWaalsContact CB-OE2 3.32Å; K155-E157 WeakPolarHBondContact CB-OE2 3.49Å; K155-E157 HydrophobicContact CD-CB 4.4Å; K155-E157 HydrophobicContact CG-CB 4.1Å; K155-E157 VanDerWaalsContact CG-OE2 3.27Å; K155-E157 WeakPolarHBondContact CG-OE2 3.46Å; K155-E157 PolarHBondContact O-N 3.35Å; K155-E157 VanDerWaalsContact O-N 3.16Å; K155-N158 WeakPolarHBondContact CE-ND2 3.38Å; K155-N158 WeakPolarHBondContact CE-OD1 3.32Å; K155-N158 HydrophobicContact CG-CB 4.15Å; K155-N158 PolarHBondContact O-N 2.86Å; K155-T190 HydrophobicContact CD-CG2 4.35Å; K155-T190 WeakPolarHBondContact CD-OG1 3.34Å; K155-T190 PolarHBondContact NZ-OG1 3.45Å; K155-Y193 HydrophobicContact CB-CD1 4.29Å; K155-Y193 HydrophobicContact CB-CD2 3.8Å; K155-Y193 HydrophobicContact CB-CE1 4.2Å; K155-Y193 HydrophobicContact CB-CE2 3.66Å; K155-Y193 HydrophobicContact CB-CG 4.12Å
156P96.2Very high95.6Very high0 Ų036 Ų360%019%0.19CC..G310 helixtrans-57-26.9-179.5-26.136.7000114.9L115 F116 N158 I159 Y193 I222L115-P156 HydrophobicContact CB-CB 4.49Å; L115-P156 WeakPolarHBondContact CB-O 3.19Å; L115-P156 HydrophobicContact CG-CB 4.43Å; L115-P156 PolarHBondContact N-O 3.23Å; F116-P156 HydrophobicContact CB-CB 3.93Å; F116-P156 HydrophobicContact CD2-CB 4.4Å; F116-P156 PolarHBondContact N-O 3.32Å; F116-P156 VanDerWaalsContact N-O 3.16Å; P156-N158 VanDerWaalsContact C-N 3.29Å; P156-I159 PolarHBondContact O-N 3.36Å; P156-Y193 VanDerWaalsContact CD-CZ 3.42Å; P156-Y193 WeakPolarHBondContact CD-OH 3.29Å; P156-I222 HydrophobicContact CG-CG1 4.41Å
157E93.6Very high95.6Very high31 Ų3132.1 Ų32.115%0.14516%0.163CC..G310 helixtrans-66.8-32175.8-59.385.615800111.5E114 F116 K155 I159E114-E157 WeakPolarHBondContact CG-O 3.45Å; F116-E157 HydrophobicContact CB-CG 3.89Å; F116-E157 HydrophobicContact CD2-CG 4.32Å; F116-E157 HydrophobicContact CG-CG 4.04Å; K155-E157 VanDerWaalsContact CB-OE2 3.32Å; K155-E157 WeakPolarHBondContact CB-OE2 3.49Å; K155-E157 HydrophobicContact CD-CB 4.4Å; K155-E157 HydrophobicContact CG-CB 4.1Å; K155-E157 VanDerWaalsContact CG-OE2 3.27Å; K155-E157 WeakPolarHBondContact CG-OE2 3.46Å; K155-E157 PolarHBondContact O-N 3.35Å; K155-E157 VanDerWaalsContact O-N 3.16Å; E157-I159 VanDerWaalsContact C-N 3.34Å
158N96.1Very high95.7Very high11 Ų1130.1 Ų30.16%0.05915%0.154CC..G310 helixtrans-91.24.8-179.5-67.9-4.2000112.9D153 K155 P156 S170 D171D153-N158 PolarHBondContact O-ND2 3.25Å; D153-N158 PolarHBondContact OD2-ND2 3.36Å; D153-N158 VanDerWaalsContact OD2-ND2 3.1Å; K155-N158 WeakPolarHBondContact CE-ND2 3.38Å; K155-N158 WeakPolarHBondContact CE-OD1 3.32Å; K155-N158 HydrophobicContact CG-CB 4.15Å; K155-N158 PolarHBondContact O-N 2.86Å; P156-N158 VanDerWaalsContact C-N 3.29Å; N158-S170 PolarHBondContact O-N 3.25Å; N158-S170 PolarHBondContact O-OG 3.4Å; N158-D171 HydrophobicContact CB-CB 4.37Å
159I98.1Very high95.8Very high0 Ų028.5 Ų28.50%014%0.143CC..EExtended strand (participates in β ladder)trans-111.2112176.7-60.1167.2000107.9L115 L137 P156 E157 I167 L169 I222L115-I159 HydrophobicContact CB-CB 3.98Å; L115-I159 HydrophobicContact CB-CG2 4.07Å; L115-I159 VanDerWaalsContact CB-O 3.22Å; L115-I159 WeakPolarHBondContact CB-O 3.36Å; L115-I159 HydrophobicContact CD2-CB 4.02Å; L115-I159 HydrophobicContact CD2-CD1 4.02Å; L115-I159 HydrophobicContact CD2-CG2 3.79Å; L115-I159 PolarHBondContact N-O 2.91Å; L137-I159 HydrophobicContact CD1-CD1 3.96Å; L137-I159 HydrophobicContact CD1-CG1 4.33Å; L137-I159 HydrophobicContact CD2-CD1 3.82Å; L137-I159 HydrophobicContact CG-CD1 4.49Å; P156-I159 PolarHBondContact O-N 3.36Å; E157-I159 VanDerWaalsContact C-N 3.34Å; I159-I167 HydrophobicContact CG2-CB 3.66Å; I159-I167 HydrophobicContact CG2-CD1 3.86Å; I159-I167 HydrophobicContact CG2-CG1 4.41Å; I159-I167 HydrophobicContact CG2-CG2 3.68Å; I159-L169 HydrophobicContact CG1-CD1 4.25Å; I159-I222 HydrophobicContact CD1-CD1 4.03Å; I159-I222 HydrophobicContact CD1-CG2 4.4Å
160L97Very high95.6Very high36 Ų3629.1 Ų29.119%0.18815%0.147CC..EExtended strand (participates in β ladder)trans-98.9153.3-175.9-56.9177.8000111.7M110 G113 E114 I167 K168M110-L160 HydrophobicContact CB-CB 3.65Å; M110-L160 HydrophobicContact CB-CD1 4.07Å; M110-L160 HydrophobicContact CB-CG 4.41Å; M110-L160 HydrophobicContact CE-CB 3.97Å; M110-L160 WeakPolarHBondContact CE-O 3.41Å; M110-L160 HydrophobicContact CG-CB 3.6Å; M110-L160 HydrophobicContact CG-CD1 3.73Å; M110-L160 HydrophobicContact CG-CG 4.32Å; G113-L160 CarbonylContact O-C 3.58Å; G113-L160 VanDerWaalsContact O-CA 3.3Å; G113-L160 WeakPolarHBondContact O-CA 3.44Å; E114-L160 HydrophobicContact CG-CD2 3.93Å; L160-I167 CarbonylContact O-C 3.54Å; L160-I167 WeakPolarHBondContact O-CA 3.46Å; L160-K168 PolarHBondContact N-O 2.85Å; L160-K168 PolarHBondContact O-N 3.32Å
161L96.6Very high95.3Very high2 Ų231.7 Ų31.71%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-115.8130.1-178-71158.4000111.8M110 R112 G113 L115 Y118 H166 I167M110-L161 CarbonylContact C-O 3.58Å; M110-L161 VanDerWaalsContact CE-C 3.45Å; R112-L161 HydrophobicContact CB-CB 3.69Å; R112-L161 WeakPolarHBondContact CB-O 3.22Å; R112-L161 PolarHBondContact N-O 3.49Å; R112-L161 VanDerWaalsContact N-O 3.13Å; G113-L161 PolarHBondContact O-N 3.07Å; L115-L161 HydrophobicContact CB-CD1 4.36Å; L115-L161 HydrophobicContact CD1-CD1 4.09Å; Y118-L161 VanDerWaalsContact CB-CD1 3.46Å; Y118-L161 HydrophobicContact CD1-CD1 3.85Å; Y118-L161 HydrophobicContact CG-CD1 3.68Å; L161-H166 WeakPolarHBondContact CA-O 3.49Å; L161-I167 HydrophobicContact CD2-CG2 3.7Å
162D93.4Very high95.2Very high35 Ų3531.7 Ų31.719%0.18716%0.161CC..  trans-80.3178.9171.976.83000111.3M110 R112 H164 G165 H166M110-D162 HydrophobicContact CE-CB 3.92Å; M110-D162 VanDerWaalsContact CE-N 3.3Å; M110-D162 HydrophobicContact SD-CB 4.41Å; R112-D162 WeakPolarHBondContact CD-O 3.32Å; R112-D162 VanDerWaalsContact CG-O 3.28Å; R112-D162 WeakPolarHBondContact CG-O 3.39Å; D162-H164 PolarHBondContact O-N 3.07Å; D162-H164 VanDerWaalsContact O-N 3.15Å; D162-H164 VanDerWaalsContact OD1-C 3.31Å; D162-H164 WeakPolarHBondContact OD1-CA 3.18Å; D162-H164 WeakPolarHBondContact OD1-CB 3.39Å; D162-H164 PolarHBondContact OD1-N 3.14Å; D162-G165 PolarHBondContact O-N 3.23Å; D162-G165 PolarHBondContact OD1-N 2.89Å; D162-H166 PolarHBondContact N-O 3.11Å; D162-H166 IonicContact OD1-CG 3.32Å; D162-H166 PolarHBondContact OD1-N 2.91Å; D162-H166 IonicContact OD1-ND1 3.55Å; D162-H166 WeakPolarHBondContact OD2-CB 3.35Å; D162-H166 IonicContact OD2-CG 3.43Å; D162-H166 IonicContact OD2-ND1 2.71Å; D162-H166 PolarHBondContact OD2-ND1 2.75Å; D162-H166 VanDerWaalsContact OD2-ND1 3.17Å
163D90.3Very high94.9Very high95 Ų9532.3 Ų32.351%0.50817%0.173SC..THydrogen-bonded Turntrans-59-25.1178.8-70.5-49.6000114.4R111R111-D163 VanDerWaalsContact CB-OD1 3.29Å; R111-D163 WeakPolarHBondContact CB-OD1 3.46Å; R111-D163 VanDerWaalsContact CD-OD1 3.24Å; R111-D163 WeakPolarHBondContact CD-OD1 3.37Å; R111-D163 VanDerWaalsContact CD-OD2 3.28Å; R111-D163 WeakPolarHBondContact CD-OD2 3.37Å; R111-D163 IonicContact NE-OD2 3.67Å; R111-D163 PolarHBondContact NE-OD2 3.14Å
164H89.4Confident94.7Very high155 Ų15535.8 Ų35.872%0.71819%0.188SC*.THydrogen-bonded Turntrans-93.4-5.5-179.6-56.1-58.6000112.6D162D162-H164 PolarHBondContact O-N 3.07Å; D162-H164 VanDerWaalsContact O-N 3.15Å; D162-H164 VanDerWaalsContact OD1-C 3.31Å; D162-H164 WeakPolarHBondContact OD1-CA 3.18Å; D162-H164 WeakPolarHBondContact OD1-CB 3.39Å; D162-H164 PolarHBondContact OD1-N 3.14Å
165G88.9Confident94.6Very high23 Ų2336 Ų3624%0.23719%0.189CC..SBendtrans78.616.9-175.200000114.1D162D162-G165 PolarHBondContact O-N 3.23Å; D162-G165 PolarHBondContact OD1-N 2.89Å
166H94.8Very high94.5Very high117 Ų11736.4 Ų36.454%0.54219%0.194SC..  trans-75.3145.2165-52.3124.5000109.8L161 D162L161-H166 WeakPolarHBondContact CA-O 3.49Å; D162-H166 PolarHBondContact N-O 3.11Å; D162-H166 IonicContact OD1-CG 3.32Å; D162-H166 PolarHBondContact OD1-N 2.91Å; D162-H166 IonicContact OD1-ND1 3.55Å; D162-H166 WeakPolarHBondContact OD2-CB 3.35Å; D162-H166 IonicContact OD2-CG 3.43Å; D162-H166 IonicContact OD2-ND1 2.71Å; D162-H166 PolarHBondContact OD2-ND1 2.75Å; D162-H166 VanDerWaalsContact OD2-ND1 3.17Å
167I98Very high94.5Very high4 Ų440.2 Ų40.22%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-90.7148.3179.665.1149.6000112S89 I133 A136 L137 I159 L160 L161S89-I167 WeakPolarHBondContact CA-O 3.46Å; I133-I167 HydrophobicContact CG1-CG2 4.17Å; I133-I167 HydrophobicContact CG2-CG2 4.1Å; A136-I167 HydrophobicContact CB-CD1 3.94Å; A136-I167 HydrophobicContact CB-CG1 3.59Å; L137-I167 HydrophobicContact CB-CD1 3.82Å; I159-I167 HydrophobicContact CG2-CB 3.66Å; I159-I167 HydrophobicContact CG2-CD1 3.86Å; I159-I167 HydrophobicContact CG2-CG1 4.41Å; I159-I167 HydrophobicContact CG2-CG2 3.68Å; L160-I167 CarbonylContact O-C 3.54Å; L160-I167 WeakPolarHBondContact O-CA 3.46Å; L161-I167 HydrophobicContact CD2-CG2 3.7Å
168K98.3Very high94.5Very high35 Ų3539.3 Ų39.315%0.15221%0.208CC..EExtended strand (participates in β ladder)trans-126.2127.3157.9-65.8-175.3171.1-75.30109.7S88 S89 I90 I91 D108 M110 L160S88-K168 PolarHBondContact O-NZ 3.11Å; S89-K168 CarbonylContact O-C 3.51Å; S89-K168 WeakPolarHBondContact O-CA 3.45Å; I90-K168 PolarHBondContact O-NZ 2.77Å; I91-K168 HydrophobicContact CD1-CB 4.44Å; I91-K168 HydrophobicContact CD1-CD 4.01Å; D108-K168 IonicContact OD2-NZ 3.52Å; M110-K168 HydrophobicContact CE-CB 3.74Å; M110-K168 HydrophobicContact CE-CD 3.92Å; M110-K168 HydrophobicContact CE-CG 3.71Å; M110-K168 HydrophobicContact SD-CB 4.36Å; M110-K168 HydrophobicContact SD-CD 3.69Å; M110-K168 HydrophobicContact SD-CG 4.18Å; L160-K168 PolarHBondContact N-O 2.85Å; L160-K168 PolarHBondContact O-N 3.32Å
169L98.4Very high94.4Very high0 Ų044.7 Ų44.70%023%0.233CC..EExtended strand (participates in β ladder)trans-69.9135.7170.4-178.359.5000109.8S89 I91 L137 A140 L144 L154 I159 F172S89-L169 PolarHBondContact O-N 2.97Å; I91-L169 WeakPolarHBondContact CB-O 3.47Å; I91-L169 WeakPolarHBondContact CG2-O 3.34Å; I91-L169 PolarHBondContact N-O 2.7Å; L137-L169 HydrophobicContact CD1-CD1 4.35Å; A140-L169 HydrophobicContact CB-CD2 4.41Å; L144-L169 HydrophobicContact CD1-CD2 3.92Å; L154-L169 HydrophobicContact CD2-CD1 3.49Å; L154-L169 VanDerWaalsContact CD2-CD1 3.49Å; L154-L169 HydrophobicContact CD2-CD2 3.84Å; L154-L169 HydrophobicContact CD2-CG 4.28Å; I159-L169 HydrophobicContact CG1-CD1 4.25Å; L169-F172 HydrophobicContact CD2-CZ 4.35Å; L169-F172 HydrophobicContact CG-CZ 4.28Å
170S95.8Very high93.9Very high14 Ų1450.6 Ų50.610%0.09827%0.271CS..  trans-138.3176-174.868.70000111.4H151 N158H151-S170 PolarHBondContact NE2-O 2.97Å; N158-S170 PolarHBondContact O-N 3.25Å; N158-S170 PolarHBondContact O-OG 3.4Å
171D91.3Very high93.4Very high53 Ų5352.8 Ų52.828%0.28330%0.302SS..  trans61.880178.9-158.73.6000114.8K53 H151 N158 G173K53-D171 IonicContact NZ-OD1 2.71Å; H151-D171 PolarHBondContact CE1-O 2.9Å; H151-D171 PolarHBondContact NE2-O 3.4Å; N158-D171 HydrophobicContact CB-CB 4.37Å; D171-G173 VanDerWaalsContact C-N 3.31Å; D171-G173 PolarHBondContact O-N 3.07Å
172F94.9Very high93.2Very high1 Ų156.4 Ų56.40%0.00432%0.319CS..  trans-92.615-179.1-72.1-97.8000112.6E77 V80 L81 I90 I91 L144 H151 L169 F174 S175E77-F172 HydrophobicContact CG-CB 3.96Å; V80-F172 HydrophobicContact CG1-CB 4.14Å; V80-F172 HydrophobicContact CG1-CD1 3.46Å; V80-F172 VanDerWaalsContact CG1-CD1 3.46Å; V80-F172 HydrophobicContact CG1-CE1 4.2Å; V80-F172 HydrophobicContact CG1-CG 4.06Å; L81-F172 HydrophobicContact CD2-CD2 3.52Å; L81-F172 HydrophobicContact CD2-CE2 3.93Å; L81-F172 HydrophobicContact CD2-CG 4.2Å; L81-F172 HydrophobicContact CG-CB 4.4Å; L81-F172 HydrophobicContact CG-CD2 4.2Å; L81-F172 HydrophobicContact CG-CG 4.44Å; I90-F172 HydrophobicContact CG2-CE2 3.77Å; I90-F172 HydrophobicContact CG2-CZ 3.59Å; I91-F172 HydrophobicContact CG2-CE2 4.33Å; L144-F172 HydrophobicContact CD1-CE1 3.83Å; L144-F172 HydrophobicContact CD1-CZ 4.39Å; L144-F172 HydrophobicContact CD2-CE1 3.69Å; L144-F172 HydrophobicContact CD2-CZ 4.29Å; L144-F172 HydrophobicContact CG-CE1 4.41Å; H151-F172 AromaticContact CD2-CE1 3.98Å; L169-F172 HydrophobicContact CD2-CZ 4.35Å; L169-F172 HydrophobicContact CG-CZ 4.28Å; F172-F174 PolarHBondContact O-N 3.26Å; F172-F174 VanDerWaalsContact O-N 3.17Å; F172-S175 WeakPolarHBondContact CA-OG 3.41Å; F172-S175 VanDerWaalsContact CD1-OG 3.25Å; F172-S175 WeakPolarHBondContact CD1-OG 3.48Å; F172-S175 VanDerWaalsContact O-CB 3.26Å; F172-S175 WeakPolarHBondContact O-CB 3.34Å; F172-S175 PolarHBondContact O-N 3.17Å; F172-S175 PolarHBondContact O-OG 3.39Å
173G91Very high93.2Very high30 Ų3059.5 Ų59.531%0.30933%0.331SS..THydrogen-bonded Turntrans-60.1-27.8-175.700000114.6D171D171-G173 VanDerWaalsContact C-N 3.31Å; D171-G173 PolarHBondContact O-N 3.07Å
174F92Very high93.4Very high78 Ų7855.8 Ų55.834%0.34231%0.311SS..THydrogen-bonded Turntrans-96.1-0.9173.6-66.8-72000113.7R152 D153 F172 C188R152-F174 HydrophobicContact CB-CB 4.35Å; R152-F174 PolarHBondContact NE-O 3.21Å; R152-F174 PolarHBondContact NH2-O 3.15Å; D153-F174 HydrophobicContact CB-CB 4.34Å; D153-F174 HydrophobicContact CB-CD2 3.74Å; D153-F174 HydrophobicContact CB-CG 4.36Å; F172-F174 PolarHBondContact O-N 3.26Å; F172-F174 VanDerWaalsContact O-N 3.17Å; F174-C188 HydrophobicContact CD1-CB 3.69Å; F174-C188 HydrophobicContact CE1-CB 3.94Å
175S95.7Very high93.7Very high5 Ų553.6 Ų53.64%0.03530%0.297CS..  trans-74.2142.7-173.5-62.40000112.2V150 H151 F172V150-S175 VanDerWaalsContact O-CA 3.22Å; V150-S175 WeakPolarHBondContact O-CA 3.34Å; H151-S175 WeakPolarHBondContact CA-OG 3.28Å; F172-S175 WeakPolarHBondContact CA-OG 3.41Å; F172-S175 VanDerWaalsContact CD1-OG 3.25Å; F172-S175 WeakPolarHBondContact CD1-OG 3.48Å; F172-S175 VanDerWaalsContact O-CB 3.26Å; F172-S175 WeakPolarHBondContact O-CB 3.34Å; F172-S175 PolarHBondContact O-N 3.17Å; F172-S175 PolarHBondContact O-OG 3.39Å
176V94.5Very high93.8Very high40 Ų4057.7 Ų57.724%0.24231%0.31CS..EExtended strand (participates in β ladder)trans-138.2138.1178.9175.20000109.7I149 V150 R152 L184I149-V176 WeakPolarHBondContact CA-O 3.27Å; V150-V176 PolarHBondContact N-O 3.49Å; V150-V176 PolarHBondContact O-N 2.51Å; V150-V176 VanDerWaalsContact O-N 3.08Å; R152-V176 VanDerWaalsContact NH2-CG2 3.29Å; V176-L184 HydrophobicContact CG1-CD2 4.34Å
177Q96Very high93.8Very high79 Ų7956.6 Ų56.637%0.36931%0.307SS..EExtended strand (participates in β ladder)trans-85.4119.8168.4-173.4174.535.700109.8F147 S148 I149F147-Q177 PolarHBondContact O-NE2 2.84Å; S148-Q177 WeakPolarHBondContact O-CA 3Å; I149-Q177 HydrophobicContact CG1-CB 4.11Å; I149-Q177 HydrophobicContact CG1-CG 4.23Å
178L94.5Very high93.4Very high13 Ų1356.9 Ų56.97%0.06831%0.31CS..PPolyproline II helixtrans-84.5136.6178.2-61.3-179.7000111.7S148 V150 E182 L184 K212S148-L178 VanDerWaalsContact CB-O 3.24Å; S148-L178 WeakPolarHBondContact CB-O 3.26Å; S148-L178 PolarHBondContact O-N 3.42Å; V150-L178 HydrophobicContact CG2-CD1 3.48Å; V150-L178 VanDerWaalsContact CG2-CD1 3.48Å; V150-L178 HydrophobicContact CG2-CG 3.88Å; L178-E182 HydrophobicContact CD2-CG 4.38Å; L178-L184 HydrophobicContact CD2-CD1 3.8Å; L178-L184 HydrophobicContact CD2-CD2 3.71Å; L178-L184 HydrophobicContact CD2-CG 3.56Å; L178-K212 HydrophobicContact CD1-CG 4.24Å
179Q93.3Very high93.1Very high123 Ų12356.2 Ų56.258%0.57531%0.313SS*.PPolyproline II helixtrans-73.3155.9163.2-61.5-60.9-25.800110.9G181 E182Q179-G181 PolarHBondContact O-N 3.33Å; Q179-E182 HydrophobicContact CB-CB 4.15Å; Q179-E182 WeakPolarHBondContact CB-OE2 3.3Å; Q179-E182 PolarHBondContact N-OE2 3.06Å; Q179-E182 WeakPolarHBondContact O-CB 3.37Å; Q179-E182 PolarHBondContact O-N 3.42Å
180P87.9Confident92.6Very high125 Ų12557.5 Ų57.581%0.81232%0.32SS*.THydrogen-bonded Turntrans-55.1123.7176.4-25.835.1000112.1E182P180-E182 PolarHBondContact O-N 3.46Å
181G86.4Confident92.4Very high81 Ų8158.5 Ų58.584%0.83533%0.327SS*.THydrogen-bonded Turntrans80.9-5.3-17900000115.1Q179Q179-G181 PolarHBondContact O-N 3.33Å
182E93Very high92.5Very high79 Ų7956.5 Ų56.537%0.36932%0.318SS..  trans-68.1142.2176-170.7179.2-176.400111.4L178 Q179 P180L178-E182 HydrophobicContact CD2-CG 4.38Å; Q179-E182 HydrophobicContact CB-CB 4.15Å; Q179-E182 WeakPolarHBondContact CB-OE2 3.3Å; Q179-E182 PolarHBondContact N-OE2 3.06Å; Q179-E182 WeakPolarHBondContact O-CB 3.37Å; Q179-E182 PolarHBondContact O-N 3.42Å; P180-E182 PolarHBondContact O-N 3.46Å
183K93.4Very high92.6Very high99 Ų9957.8 Ų57.843%0.4332%0.323SS..  trans-129.4141.2173.4-67.6-67.1-176.1-179.80109.6P208 Y210 E213K183-P208 WeakPolarHBondContact CB-O 3.13Å; K183-P208 WeakPolarHBondContact CG-O 3.42Å; K183-Y210 WeakPolarHBondContact CA-O 3.34Å; K183-Y210 WeakPolarHBondContact CD-O 3.19Å; K183-E213 IonicContact NZ-OE1 2.84Å; K183-E213 IonicContact NZ-OE2 3.2Å
184L94.6Very high92.9Very high18 Ų1856.8 Ų56.89%0.09431%0.311CS..BIsolated β-bridgetrans-92.4155-180-60.5174.5000110.7V176 L178 G209 Y210V176-L184 HydrophobicContact CG1-CD2 4.34Å; L178-L184 HydrophobicContact CD2-CD1 3.8Å; L178-L184 HydrophobicContact CD2-CD2 3.71Å; L178-L184 HydrophobicContact CD2-CG 3.56Å; L184-G209 CarbonylContact O-C 3.59Å; L184-G209 WeakPolarHBondContact O-CA 3.45Å; L184-Y210 HydrophobicContact CB-CD1 4.32Å; L184-Y210 HydrophobicContact CB-CD2 3.98Å; L184-Y210 HydrophobicContact CB-CE1 3.88Å; L184-Y210 HydrophobicContact CB-CE2 3.5Å; L184-Y210 HydrophobicContact CB-CG 4.36Å; L184-Y210 VanDerWaalsContact CB-CZ 3.44Å; L184-Y210 HydrophobicContact CD1-CD2 4.46Å; L184-Y210 HydrophobicContact CD1-CE2 3.72Å; L184-Y210 HydrophobicContact CG-CE2 4.23Å; L184-Y210 PolarHBondContact N-O 3.46Å; L184-Y210 WeakPolarHBondContact O-CD1 3.11Å; L184-Y210 PolarHBondContact O-N 2.88Å
185R94.6Very high93.2Very high109 Ų10953.1 Ų53.141%0.41130%0.295SS..  trans-129.9-15.3178.1-55.1-171.870.995.911.6114.4L187 C201 D204 E205 H207R185-L187 PolarHBondContact O-N 3.13Å; R185-C201 VanDerWaalsContact CA-SG 3.56Å; R185-D204 PolarHBondContact NH2-O 3.1Å; R185-E205 PolarHBondContact NH1-O 3.45Å; R185-E205 VanDerWaalsContact NH2-C 3.3Å; R185-E205 PolarHBondContact NH2-O 2.9Å; R185-H207 VanDerWaalsContact CZ-O 3.31Å; R185-H207 PolarHBondContact NH1-O 3.34Å; R185-H207 PolarHBondContact NH2-O 3.31Å
186E92.2Very high93.3Very high109 Ų10952.9 Ų52.951%0.50929%0.293SS..  trans-62.1130.3-176.9-175.2-172.9-170.500111.1R152 C188 Y210R152-E186 IonicContact CZ-OE2 3.92Å; R152-E186 IonicContact NH1-OE2 3.16Å; R152-E186 PolarHBondContact NH1-OE2 2.71Å; R152-E186 IonicContact NH2-OE2 3.9Å; R152-E186 PolarHBondContact NH2-OE2 3.35Å; R152-E186 VanDerWaalsContact NH2-OE2 3.11Å; E186-C188 HydrophobicContact CG-CB 4.34Å; E186-C188 PolarHBondContact O-N 3.44Å; E186-Y210 WeakPolarHBondContact O-CE1 3.42Å; E186-Y210 PolarHBondContact O-OH 3.41Å
187L93.3Very high93.4Very high94 Ų9451.2 Ų51.249%0.49228%0.283SS..  trans-83101.2171178.565.3000108.9R185 L194 I198 L199R185-L187 PolarHBondContact O-N 3.13Å; L187-L194 HydrophobicContact CD1-CD1 3.91Å; L187-I198 HydrophobicContact CD1-CG2 3.68Å; L187-L199 HydrophobicContact CD1-CD2 4.19Å
188C91.1Very high93.5Very high10 Ų1047.6 Ų47.67%0.06827%0.266CS..  trans-140.4163.2177.663.20000110.7R152 F174 E186 L194R152-C188 PolarHBondContact NH1-SG 2.98Å; R152-C188 VanDerWaalsContact NH1-SG 3.39Å; F174-C188 HydrophobicContact CD1-CB 3.69Å; F174-C188 HydrophobicContact CE1-CB 3.94Å; E186-C188 HydrophobicContact CG-CB 4.34Å; E186-C188 PolarHBondContact O-N 3.44Å; C188-L194 WeakPolarHBondContact O-CD2 3.5Å
189G90.3Very high93.5Very high21 Ų2147.1 Ų47.122%0.21626%0.264CS..SBendtrans95.7173.8-17800000114D153D153-G189 WeakPolarHBondContact OD1-CA 3.34Å
190T89.8Confident93.5Very high26 Ų2644.8 Ų44.816%0.1625%0.251CS..  trans-80.1125.1-171.1-55.10000111.8D153 K155 G192 Y193 L194D153-T190 WeakPolarHBondContact OD1-CB 3.34Å; D153-T190 PolarHBondContact OD1-N 3.04Å; D153-T190 PolarHBondContact OD1-OG1 2.74Å; K155-T190 HydrophobicContact CD-CG2 4.35Å; K155-T190 WeakPolarHBondContact CD-OG1 3.34Å; K155-T190 PolarHBondContact NZ-OG1 3.45Å; T190-G192 VanDerWaalsContact C-N 3.29Å; T190-G192 PolarHBondContact O-N 2.77Å; T190-Y193 HydrophobicContact CG2-CD2 4Å; T190-Y193 HydrophobicContact CG2-CE2 4.36Å; T190-Y193 PolarHBondContact O-N 3.19Å; T190-L194 PolarHBondContact O-N 3.04Å
191P91.5Very high93.7Very high36 Ų3639.1 Ų39.123%0.23422%0.215CC..G310 helixtrans-49.6-36.4-169.3-33.936.7000117.3Y193 M241 I245P191-Y193 VanDerWaalsContact C-N 3.25Å; P191-Y193 PolarHBondContact O-N 2.89Å; P191-M241 HydrophobicContact CB-CE 3.66Å; P191-I245 VanDerWaalsContact O-CD1 3.24Å; P191-I245 WeakPolarHBondContact O-CD1 3.16Å
192G93.3Very high93.9Very high10 Ų1038.1 Ų38.110%0.10320%0.195CC..G310 helixtrans-72.2-14.6-179.700000115T190T190-G192 VanDerWaalsContact C-N 3.29Å; T190-G192 PolarHBondContact O-N 2.77Å
193Y97Very high93.7Very high28 Ų2839.7 Ų39.711%0.1120%0.204CC..G310 helixtrans-112.3-3-178-59.4-88.8000112.5K155 P156 T190 P191 V221 I222K155-Y193 HydrophobicContact CB-CD1 4.29Å; K155-Y193 HydrophobicContact CB-CD2 3.8Å; K155-Y193 HydrophobicContact CB-CE1 4.2Å; K155-Y193 HydrophobicContact CB-CE2 3.66Å; K155-Y193 HydrophobicContact CB-CG 4.12Å; P156-Y193 VanDerWaalsContact CD-CZ 3.42Å; P156-Y193 WeakPolarHBondContact CD-OH 3.29Å; T190-Y193 HydrophobicContact CG2-CD2 4Å; T190-Y193 HydrophobicContact CG2-CE2 4.36Å; T190-Y193 PolarHBondContact O-N 3.19Å; P191-Y193 VanDerWaalsContact C-N 3.25Å; P191-Y193 PolarHBondContact O-N 2.89Å; Y193-V221 HydrophobicContact CD1-CB 3.83Å; Y193-V221 HydrophobicContact CD1-CG1 3.4Å; Y193-V221 VanDerWaalsContact CD1-CG1 3.4Å; Y193-V221 HydrophobicContact CE1-CB 4.24Å; Y193-V221 HydrophobicContact CE1-CG1 3.51Å; Y193-V221 HydrophobicContact CG-CG1 4.24Å; Y193-I222 HydrophobicContact CD1-CG1 4.22Å; Y193-I222 HydrophobicContact CE1-CG1 3.94Å
194L97.1Very high93.6Very high10 Ų1038.8 Ų38.85%0.05220%0.203CC..  trans-64.5136.5178.3-64.2-180000111.3L187 C188 T190 I198 L199 W217 I245L187-L194 HydrophobicContact CD1-CD1 3.91Å; C188-L194 WeakPolarHBondContact O-CD2 3.5Å; T190-L194 PolarHBondContact O-N 3.04Å; L194-I198 HydrophobicContact CD2-CD1 4.1Å; L194-I198 HydrophobicContact CD2-CG2 4.44Å; L194-L199 HydrophobicContact CB-CD2 4.4Å; L194-L199 HydrophobicContact CD1-CD2 3.8Å; L194-W217 PolarHBondContact O-NE1 2.95Å; L194-I245 WeakPolarHBondContact O-CG2 3.44Å
195A97.9Very high93.3Very high1 Ų145.7 Ų45.71%0.00824%0.235CC..  trans-77.7152.2174.400000111.6E197 I198 V214 W217A195-E197 VanDerWaalsContact C-N 3.26Å; A195-E197 VanDerWaalsContact CB-CD 3.46Å; A195-E197 HydrophobicContact CB-CG 4.36Å; A195-E197 WeakPolarHBondContact CB-OE1 3.49Å; A195-E197 WeakPolarHBondContact CB-OE2 3.18Å; A195-E197 PolarHBondContact O-N 2.88Å; A195-I198 HydrophobicContact CB-CD1 4.39Å; A195-I198 HydrophobicContact CB-CG1 4.35Å; A195-I198 PolarHBondContact O-N 3.21Å; A195-I198 VanDerWaalsContact O-N 3.1Å; A195-V214 HydrophobicContact CB-CB 4Å; A195-V214 HydrophobicContact CB-CG1 3.96Å; A195-W217 HydrophobicContact CB-CB 3.74Å; A195-W217 HydrophobicContact CB-CD2 4.35Å; A195-W217 HydrophobicContact CB-CG 3.74Å
196P97.8Very high93.1Very high0 Ų048 Ų480%025%0.253CS..Hα-helixtrans-55.2-38.1-178.7-28.737.4000113.9I198 L199 K200 W217 I245 V274P196-I198 VanDerWaalsContact C-N 3.34Å; P196-I198 PolarHBondContact O-N 3.3Å; P196-L199 PolarHBondContact O-N 3.28Å; P196-K200 WeakPolarHBondContact O-CG 3.37Å; P196-K200 PolarHBondContact O-N 3.32Å; P196-W217 HydrophobicContact CG-CD2 4.45Å; P196-W217 HydrophobicContact CG-CE3 4.12Å; P196-W217 HydrophobicContact CG-CH2 3.48Å; P196-W217 VanDerWaalsContact CG-CH2 3.48Å; P196-W217 HydrophobicContact CG-CZ2 3.85Å; P196-W217 HydrophobicContact CG-CZ3 3.63Å; P196-I245 HydrophobicContact CG-CG2 4.26Å; P196-I245 WeakPolarHBondContact CG-O 3.5Å; P196-V274 HydrophobicContact CB-CG1 4.03Å; P196-V274 HydrophobicContact CG-CB 4.5Å; P196-V274 HydrophobicContact CG-CG1 4.27Å; P196-V274 HydrophobicContact CG-CG2 4.33Å
197E97.4Very high93.2Very high4 Ų444.6 Ų44.62%0.01924%0.237CC..Hα-helixtrans-68.4-27.6-179.962.7-87.4-154.300113.7A195 C201 V214 P276 R279A195-E197 VanDerWaalsContact C-N 3.26Å; A195-E197 VanDerWaalsContact CB-CD 3.46Å; A195-E197 HydrophobicContact CB-CG 4.36Å; A195-E197 WeakPolarHBondContact CB-OE1 3.49Å; A195-E197 WeakPolarHBondContact CB-OE2 3.18Å; A195-E197 PolarHBondContact O-N 2.88Å; E197-C201 WeakPolarHBondContact O-CB 3.32Å; E197-C201 PolarHBondContact O-N 3.16Å; E197-V214 HydrophobicContact CG-CG1 4.07Å; E197-P276 HydrophobicContact CB-CG 3.96Å; E197-P276 VanDerWaalsContact CD-CG 3.46Å; E197-P276 HydrophobicContact CG-CG 3.85Å; E197-R279 IonicContact OE1-CZ 3.86Å; E197-R279 IonicContact OE1-NH1 3.08Å; E197-R279 PolarHBondContact OE1-NH1 2.93Å; E197-R279 IonicContact OE1-NH2 3.41Å; E197-R279 PolarHBondContact OE1-NH2 3.05Å; E197-R279 IonicContact OE2-CZ 2.89Å; E197-R279 IonicContact OE2-NH1 3.11Å; E197-R279 IonicContact OE2-NH2 3.84Å; E197-R279 PolarHBondContact OE2-NH2 3.3Å
198I96.4Very high93.1Very high3 Ų345 Ų452%0.01524%0.244CC..Hα-helixtrans-66.2-46.1172.5-58.7178.2000109L187 L194 A195 P196 C201 S202 Y210 V214L187-I198 HydrophobicContact CD1-CG2 3.68Å; L194-I198 HydrophobicContact CD2-CD1 4.1Å; L194-I198 HydrophobicContact CD2-CG2 4.44Å; A195-I198 HydrophobicContact CB-CD1 4.39Å; A195-I198 HydrophobicContact CB-CG1 4.35Å; A195-I198 PolarHBondContact O-N 3.21Å; A195-I198 VanDerWaalsContact O-N 3.1Å; P196-I198 VanDerWaalsContact C-N 3.34Å; P196-I198 PolarHBondContact O-N 3.3Å; I198-C201 PolarHBondContact O-N 3.1Å; I198-S202 PolarHBondContact O-N 3.05Å; I198-S202 VanDerWaalsContact O-N 3.16Å; I198-Y210 HydrophobicContact CB-CD1 4.35Å; I198-Y210 HydrophobicContact CB-CE1 4.44Å; I198-Y210 HydrophobicContact CG1-CD1 3.88Å; I198-Y210 HydrophobicContact CG1-CD2 4.17Å; I198-Y210 HydrophobicContact CG1-CE1 4.05Å; I198-Y210 HydrophobicContact CG1-CE2 4.33Å; I198-Y210 HydrophobicContact CG1-CG 3.94Å; I198-Y210 HydrophobicContact CG2-CE1 4.16Å; I198-V214 HydrophobicContact CD1-CB 3.96Å; I198-V214 HydrophobicContact CD1-CG1 3.84Å; I198-V214 HydrophobicContact CD1-CG2 4.43Å; I198-V214 HydrophobicContact CG1-CB 4.4Å; I198-V214 HydrophobicContact CG1-CG1 3.72Å
199L95.1Very high93.3Very high4 Ų444.8 Ų44.82%0.02125%0.245CC..Hα-helixtrans-66.9-43.4179.5-58.4178.5000111.8L187 L194 P196 C201 S202 M203 L242 I245 M246L187-L199 HydrophobicContact CD1-CD2 4.19Å; L194-L199 HydrophobicContact CB-CD2 4.4Å; L194-L199 HydrophobicContact CD1-CD2 3.8Å; P196-L199 PolarHBondContact O-N 3.28Å; L199-C201 VanDerWaalsContact C-N 3.33Å; L199-C201 PolarHBondContact O-N 2.99Å; L199-S202 PolarHBondContact O-N 3.16Å; L199-S202 PolarHBondContact O-OG 3.45Å; L199-M203 WeakPolarHBondContact O-CG 3.46Å; L199-M203 PolarHBondContact O-N 3.08Å; L199-L242 HydrophobicContact CD1-CB 4.2Å; L199-L242 HydrophobicContact CD1-CD2 3.97Å; L199-L242 HydrophobicContact CD2-CD2 3.94Å; L199-I245 HydrophobicContact CD1-CB 4.08Å; L199-I245 HydrophobicContact CD1-CG2 3.69Å; L199-M246 HydrophobicContact CB-CG 4.03Å; L199-M246 HydrophobicContact CB-SD 4.41Å; L199-M246 HydrophobicContact CD1-CG 3.83Å
200K93.5Very high93.6Very high73 Ų7344 Ų4432%0.31724%0.235SC..Hα-helixtrans-61.3-43.4175.9-72.3172-176.9176.70111.1P196 S202 M203 D204 M246P196-K200 WeakPolarHBondContact O-CG 3.37Å; P196-K200 PolarHBondContact O-N 3.32Å; K200-S202 VanDerWaalsContact C-N 3.27Å; K200-S202 PolarHBondContact O-N 3.18Å; K200-M203 PolarHBondContact O-N 3.33Å; K200-M203 VanDerWaalsContact O-N 3.11Å; K200-D204 PolarHBondContact O-N 2.8Å; K200-M246 HydrophobicContact CG-CE 4.14Å
201C92.4Very high93.9Very high6 Ų642.8 Ų42.84%0.04123%0.228CC..Hα-helixtrans-62.7-31.2178.3-172.70000113.5R185 E197 I198 L199 M203 H207R185-C201 VanDerWaalsContact CA-SG 3.56Å; E197-C201 WeakPolarHBondContact O-CB 3.32Å; E197-C201 PolarHBondContact O-N 3.16Å; I198-C201 PolarHBondContact O-N 3.1Å; L199-C201 VanDerWaalsContact C-N 3.33Å; L199-C201 PolarHBondContact O-N 2.99Å; C201-M203 VanDerWaalsContact C-N 3.32Å; C201-H207 HydrophobicContact CB-CB 4.46Å
202S90.1Very high94.2Very high60 Ų6043.8 Ų43.842%0.4223%0.229SC..Hα-helixtrans-79.6-15.9177.294.40000113.3I198 L199 K200I198-S202 PolarHBondContact O-N 3.05Å; I198-S202 VanDerWaalsContact O-N 3.16Å; L199-S202 PolarHBondContact O-N 3.16Å; L199-S202 PolarHBondContact O-OG 3.45Å; K200-S202 VanDerWaalsContact C-N 3.27Å; K200-S202 PolarHBondContact O-N 3.18Å
203M89.2Confident94.4Very high113 Ų11346.2 Ų46.256%0.55724%0.237SC*.Hα-helixtrans-102.7-27-179-64.6178.7-170.200112.7L199 K200 C201 M246L199-M203 WeakPolarHBondContact O-CG 3.46Å; L199-M203 PolarHBondContact O-N 3.08Å; K200-M203 PolarHBondContact O-N 3.33Å; K200-M203 VanDerWaalsContact O-N 3.11Å; C201-M203 VanDerWaalsContact C-N 3.32Å; M203-M246 HydrophobicContact CE-SD 3.87Å; M203-M246 HydrophobicContact SD-CE 3.81Å; M203-M246 HydrophobicContact SD-SD 3.95Å
204D90.8Very high94.5Very high79 Ų7945.1 Ų45.142%0.42223%0.234SC..  trans-122.7108.9-178.11798.8000110.5R185 K200 M206 H207R185-D204 PolarHBondContact NH2-O 3.1Å; K200-D204 PolarHBondContact O-N 2.8Å; D204-M206 PolarHBondContact O-N 2.73Å; D204-M206 WeakPolarHBondContact OD1-CB 3.34Å; D204-M206 PolarHBondContact OD1-N 3.36Å; D204-H207 HydrophobicContact CB-CB 4.3Å; D204-H207 VanDerWaalsContact O-CB 3.29Å; D204-H207 WeakPolarHBondContact O-CB 3.32Å; D204-H207 PolarHBondContact O-N 2.89Å; D204-H207 VanDerWaalsContact O-N 3.14Å
205E88.3Confident94.5Very high163 Ų16344.7 Ų44.776%0.76223%0.231SC*.THydrogen-bonded Turntrans-62.3-24.9177.4-67.4-173.9175.700112.7R185 H207R185-E205 PolarHBondContact NH1-O 3.45Å; R185-E205 VanDerWaalsContact NH2-C 3.3Å; R185-E205 PolarHBondContact NH2-O 2.9Å; E205-H207 VanDerWaalsContact C-N 3.34Å
206M91.3Very high94.6Very high158 Ų15844.8 Ų44.878%0.77823%0.231SC*.THydrogen-bonded Turntrans-83.5-9.1179.1-61.7-63109.800113.2D204D204-M206 PolarHBondContact O-N 2.73Å; D204-M206 WeakPolarHBondContact OD1-CB 3.34Å; D204-M206 PolarHBondContact OD1-N 3.36Å
207H93.3Very high94.6Very high38 Ų3844.8 Ų44.818%0.17623%0.231CC..SBendtrans-61139.4176.8-168.6-85.9000110.7R185 C201 D204 E205 G209R185-H207 VanDerWaalsContact CZ-O 3.31Å; R185-H207 PolarHBondContact NH1-O 3.34Å; R185-H207 PolarHBondContact NH2-O 3.31Å; C201-H207 HydrophobicContact CB-CB 4.46Å; D204-H207 HydrophobicContact CB-CB 4.3Å; D204-H207 VanDerWaalsContact O-CB 3.29Å; D204-H207 WeakPolarHBondContact O-CB 3.32Å; D204-H207 PolarHBondContact O-N 2.89Å; D204-H207 VanDerWaalsContact O-N 3.14Å; E205-H207 VanDerWaalsContact C-N 3.34Å; H207-G209 PolarHBondContact CE1-O 3.15Å; H207-G209 VanDerWaalsContact CE1-O 3.29Å; H207-G209 PolarHBondContact ND1-N 3.36Å; H207-G209 PolarHBondContact ND1-O 3.4Å; H207-G209 PolarHBondContact O-N 3.16Å
208P91.2Very high94.7Very high101 Ų10144.8 Ų44.866%0.65623%0.232SC*.  trans-71.75.7-176.128.8-37.3000115.3K183K183-P208 WeakPolarHBondContact CB-O 3.13Å; K183-P208 WeakPolarHBondContact CG-O 3.42Å
209G94.9Very high94.8Very high7 Ų744.6 Ų44.67%0.07223%0.231CC..  trans81.8-170.3-172.600000114.9L184 H207L184-G209 CarbonylContact O-C 3.59Å; L184-G209 WeakPolarHBondContact O-CA 3.45Å; H207-G209 PolarHBondContact CE1-O 3.15Å; H207-G209 VanDerWaalsContact CE1-O 3.29Å; H207-G209 PolarHBondContact ND1-N 3.36Å; H207-G209 PolarHBondContact ND1-O 3.4Å; H207-G209 PolarHBondContact O-N 3.16Å
210Y96.6Very high95Very high3 Ų344.4 Ų44.41%0.01223%0.23CC..BIsolated β-bridgetrans-128.6166.1-177.765.7-95.8000112R152 K183 L184 E186 I198 V214R152-Y210 HydrophobicContact CG-CE2 4.49Å; R152-Y210 PolarHBondContact NH1-OH 2.8Å; K183-Y210 WeakPolarHBondContact CA-O 3.34Å; K183-Y210 WeakPolarHBondContact CD-O 3.19Å; L184-Y210 HydrophobicContact CB-CD1 4.32Å; L184-Y210 HydrophobicContact CB-CD2 3.98Å; L184-Y210 HydrophobicContact CB-CE1 3.88Å; L184-Y210 HydrophobicContact CB-CE2 3.5Å; L184-Y210 HydrophobicContact CB-CG 4.36Å; L184-Y210 VanDerWaalsContact CB-CZ 3.44Å; L184-Y210 HydrophobicContact CD1-CD2 4.46Å; L184-Y210 HydrophobicContact CD1-CE2 3.72Å; L184-Y210 HydrophobicContact CG-CE2 4.23Å; L184-Y210 PolarHBondContact N-O 3.46Å; L184-Y210 WeakPolarHBondContact O-CD1 3.11Å; L184-Y210 PolarHBondContact O-N 2.88Å; E186-Y210 WeakPolarHBondContact O-CE1 3.42Å; E186-Y210 PolarHBondContact O-OH 3.41Å; I198-Y210 HydrophobicContact CB-CD1 4.35Å; I198-Y210 HydrophobicContact CB-CE1 4.44Å; I198-Y210 HydrophobicContact CG1-CD1 3.88Å; I198-Y210 HydrophobicContact CG1-CD2 4.17Å; I198-Y210 HydrophobicContact CG1-CE1 4.05Å; I198-Y210 HydrophobicContact CG1-CE2 4.33Å; I198-Y210 HydrophobicContact CG1-CG 3.94Å; I198-Y210 HydrophobicContact CG2-CE1 4.16Å; Y210-V214 HydrophobicContact CD2-CG1 3.54Å; Y210-V214 HydrophobicContact CD2-CG2 4.25Å; Y210-V214 HydrophobicContact CE2-CG1 4.38Å; Y210-V214 HydrophobicContact CE2-CG2 4.49Å; Y210-V214 HydrophobicContact CG-CG1 3.93Å
211G96.6Very high95.2Very high1 Ų141 Ų411%0.0122%0.215CC..  trans-138.1-147.2-179.900000112.9E213 V214G211-E213 WeakPolarHBondContact CA-OE2 3.14Å; G211-E213 PolarHBondContact N-OE2 3.24Å; G211-E213 PolarHBondContact O-N 3.24Å; G211-E213 VanDerWaalsContact O-N 3.14Å; G211-V214 WeakPolarHBondContact O-CG2 3.4Å; G211-V214 PolarHBondContact O-N 2.79Å
212K97.3Very high95.5Very high57 Ų5740.7 Ų40.725%0.24821%0.213CC..THydrogen-bonded Turntrans-59.8-23.5-176.7-56.7178.4-173.6-174.80113.2H145 S148 V150 L178 V214 D215H145-K212 HydrophobicContact CB-CD 4.05Å; H145-K212 PolarHBondContact CE1-O 3.14Å; H145-K212 PolarHBondContact O-NZ 3.23Å; S148-K212 VanDerWaalsContact CA-NZ 3.34Å; S148-K212 PolarHBondContact OG-NZ 3.46Å; V150-K212 HydrophobicContact CG2-CB 4.22Å; V150-K212 HydrophobicContact CG2-CG 3.74Å; L178-K212 HydrophobicContact CD1-CG 4.24Å; K212-V214 PolarHBondContact O-N 3.39Å; K212-V214 VanDerWaalsContact O-N 3.14Å; K212-D215 PolarHBondContact O-N 3.44Å
213E98.1Very high95.9Very high62 Ų6237.8 Ų37.829%0.2919%0.193SC..Hα-helixtrans-62.6-23.3-173.9-51.981.5-176.600112.7K183 G211 D215 L216 W217 P276 R279K183-E213 IonicContact NZ-OE1 2.84Å; K183-E213 IonicContact NZ-OE2 3.2Å; G211-E213 WeakPolarHBondContact CA-OE2 3.14Å; G211-E213 PolarHBondContact N-OE2 3.24Å; G211-E213 PolarHBondContact O-N 3.24Å; G211-E213 VanDerWaalsContact O-N 3.14Å; E213-D215 VanDerWaalsContact C-N 3.3Å; E213-D215 PolarHBondContact O-N 2.88Å; E213-L216 PolarHBondContact O-N 2.82Å; E213-L216 VanDerWaalsContact O-N 3.16Å; E213-W217 PolarHBondContact O-N 3.24Å; E213-P276 HydrophobicContact CB-CB 3.88Å; E213-P276 HydrophobicContact CG-CB 4.06Å; E213-R279 VanDerWaalsContact C-NH1 3.35Å; E213-R279 PolarHBondContact O-NH1 2.63Å
214V98.4Very high96.4Very high5 Ų532.8 Ų32.83%0.0317%0.168CC..Hα-helixtrans-64.1-33.6179.5-56.20000112.7V150 A195 E197 I198 Y210 G211 K212 L216 W217 A218V150-V214 HydrophobicContact CG1-CG2 3.72Å; A195-V214 HydrophobicContact CB-CB 4Å; A195-V214 HydrophobicContact CB-CG1 3.96Å; E197-V214 HydrophobicContact CG-CG1 4.07Å; I198-V214 HydrophobicContact CD1-CB 3.96Å; I198-V214 HydrophobicContact CD1-CG1 3.84Å; I198-V214 HydrophobicContact CD1-CG2 4.43Å; I198-V214 HydrophobicContact CG1-CB 4.4Å; I198-V214 HydrophobicContact CG1-CG1 3.72Å; Y210-V214 HydrophobicContact CD2-CG1 3.54Å; Y210-V214 HydrophobicContact CD2-CG2 4.25Å; Y210-V214 HydrophobicContact CE2-CG1 4.38Å; Y210-V214 HydrophobicContact CE2-CG2 4.49Å; Y210-V214 HydrophobicContact CG-CG1 3.93Å; G211-V214 WeakPolarHBondContact O-CG2 3.4Å; G211-V214 PolarHBondContact O-N 2.79Å; K212-V214 PolarHBondContact O-N 3.39Å; K212-V214 VanDerWaalsContact O-N 3.14Å; V214-L216 PolarHBondContact O-N 2.8Å; V214-W217 WeakPolarHBondContact O-CB 3.46Å; V214-W217 PolarHBondContact O-N 2.94Å; V214-A218 PolarHBondContact O-N 3.01Å; V214-A218 VanDerWaalsContact O-N 3.15Å
215D98.8Very high96.6Very high1 Ų129.4 Ų29.41%0.00515%0.151CC..Hα-helixtrans-66.1-30.9177.4-71.9-21.7000110.9V141 H145 V150 H151 R152 L154 K212 E213 A218 C219V141-D215 HydrophobicContact CG1-CB 4.12Å; H145-D215 IonicContact CD2-OD2 3.69Å; H145-D215 IonicContact CE1-OD2 3.17Å; H145-D215 IonicContact NE2-OD2 3.81Å; H145-D215 PolarHBondContact NE2-OD2 3.32Å; V150-D215 WeakPolarHBondContact CG1-OD2 3.49Å; H151-D215 PolarHBondContact N-OD1 2.82Å; H151-D215 PolarHBondContact N-OD2 2.89Å; R152-D215 PolarHBondContact N-OD1 2.9Å; L154-D215 HydrophobicContact CD1-CB 3.64Å; L154-D215 WeakPolarHBondContact CD1-O 3.32Å; K212-D215 PolarHBondContact O-N 3.44Å; E213-D215 VanDerWaalsContact C-N 3.3Å; E213-D215 PolarHBondContact O-N 2.88Å; D215-A218 PolarHBondContact O-N 2.87Å; D215-C219 PolarHBondContact O-N 2.87Å; D215-C219 PolarHBondContact O-SG 2.78Å
216L98.9Very high97.1Very high2 Ų221.7 Ų21.71%0.0112%0.115CC..Hα-helixtrans-76.7-31.9179.6-75.3-57.2000112.1L138 V141 H145 E213 V214 C219 G220 L271 R279 L280 A282L138-L216 HydrophobicContact CD2-CD1 3.74Å; V141-L216 HydrophobicContact CG1-CD2 4.12Å; H145-L216 WeakPolarHBondContact CE1-CD2 3.44Å; E213-L216 PolarHBondContact O-N 2.82Å; E213-L216 VanDerWaalsContact O-N 3.16Å; V214-L216 PolarHBondContact O-N 2.8Å; L216-C219 PolarHBondContact O-N 3.12Å; L216-G220 PolarHBondContact O-N 3.33Å; L216-L271 HydrophobicContact CB-CD2 4.17Å; L216-L271 HydrophobicContact CD1-CD2 4.12Å; L216-R279 HydrophobicContact CB-CG 4.48Å; L216-L280 WeakPolarHBondContact CG-O 3.24Å; L216-A282 HydrophobicContact CD1-CB 4.06Å
217W98.8Very high97.3Very high0 Ų014.1 Ų14.10%08%0.078CC..Hα-helixtrans-60.6-50167.7176.4-88.9000110.6L194 A195 P196 E213 V214 C219 G220 V221 F233 I245 L272L194-W217 PolarHBondContact O-NE1 2.95Å; A195-W217 HydrophobicContact CB-CB 3.74Å; A195-W217 HydrophobicContact CB-CD2 4.35Å; A195-W217 HydrophobicContact CB-CG 3.74Å; P196-W217 HydrophobicContact CG-CD2 4.45Å; P196-W217 HydrophobicContact CG-CE3 4.12Å; P196-W217 HydrophobicContact CG-CH2 3.48Å; P196-W217 VanDerWaalsContact CG-CH2 3.48Å; P196-W217 HydrophobicContact CG-CZ2 3.85Å; P196-W217 HydrophobicContact CG-CZ3 3.63Å; E213-W217 PolarHBondContact O-N 3.24Å; V214-W217 WeakPolarHBondContact O-CB 3.46Å; V214-W217 PolarHBondContact O-N 2.94Å; W217-C219 VanDerWaalsContact C-N 3.3Å; W217-C219 PolarHBondContact O-N 2.95Å; W217-G220 WeakPolarHBondContact O-CA 3.26Å; W217-G220 PolarHBondContact O-N 3.33Å; W217-V221 PolarHBondContact O-N 3.45Å; W217-F233 AromaticContact CE2-CE2 3.9Å; W217-F233 HydrophobicContact CH2-CE2 4.01Å; W217-F233 AromaticContact CH2-CZ 3.65Å; W217-F233 HydrophobicContact CH2-CZ 3.65Å; W217-F233 HydrophobicContact CZ2-CD2 4.19Å; W217-F233 HydrophobicContact CZ2-CE1 4.39Å; W217-F233 AromaticContact CZ2-CE2 3.27Å; W217-F233 HydrophobicContact CZ2-CE2 3.27Å; W217-F233 AromaticContact CZ2-CZ 3.4Å; W217-F233 HydrophobicContact CZ2-CZ 3.4Å; W217-F233 VanDerWaalsContact CZ2-CZ 3.4Å; W217-I245 HydrophobicContact CZ2-CG2 3.9Å; W217-L272 HydrophobicContact CD2-CD2 3.93Å; W217-L272 HydrophobicContact CE3-CD2 4.1Å; W217-L272 HydrophobicContact CG-CD2 4.4Å; W217-L272 HydrophobicContact CZ2-CD2 4.42Å; W217-L272 HydrophobicContact CZ3-CB 4.31Å; W217-L272 HydrophobicContact CZ3-CD2 4.42Å
218A98.8Very high97.2Very high4 Ų412.6 Ų12.63%0.0337%0.072CC..Hα-helixtrans-60.3-39.5178.300000112L154 V214 D215 G220 V221 I222L154-A218 HydrophobicContact CB-CB 3.76Å; V214-A218 PolarHBondContact O-N 3.01Å; V214-A218 VanDerWaalsContact O-N 3.15Å; D215-A218 PolarHBondContact O-N 2.87Å; A218-G220 VanDerWaalsContact C-N 3.3Å; A218-G220 PolarHBondContact O-N 3.19Å; A218-V221 PolarHBondContact O-N 2.8Å; A218-V221 VanDerWaalsContact O-N 3.15Å; A218-I222 VanDerWaalsContact O-CG1 3.29Å; A218-I222 WeakPolarHBondContact O-CG1 3.32Å; A218-I222 PolarHBondContact O-N 2.73Å
219C98.9Very high97.2Very high0 Ų08 Ų80%04%0.042CC..Hα-helixtrans-58.3-39.3170.5-71.30000112.7M134 L138 D215 L216 W217 I222 L223M134-C219 HydrophobicContact CE-CB 4.04Å; M134-C219 WeakPolarHBondContact CE-O 3.33Å; L138-C219 HydrophobicContact CD2-CB 4.2Å; D215-C219 PolarHBondContact O-N 2.87Å; D215-C219 PolarHBondContact O-SG 2.78Å; L216-C219 PolarHBondContact O-N 3.12Å; W217-C219 VanDerWaalsContact C-N 3.3Å; W217-C219 PolarHBondContact O-N 2.95Å; C219-I222 PolarHBondContact O-N 2.72Å; C219-L223 WeakPolarHBondContact O-CB 3.46Å; C219-L223 PolarHBondContact O-N 3.19Å
220G98.8Very high96.9Very high0 Ų09.4 Ų9.40%05%0.051CC..Hα-helixtrans-63.2-42.9173.500000112.7L216 W217 A218 L223 F224L216-G220 PolarHBondContact O-N 3.33Å; W217-G220 WeakPolarHBondContact O-CA 3.26Å; W217-G220 PolarHBondContact O-N 3.33Å; A218-G220 VanDerWaalsContact C-N 3.3Å; A218-G220 PolarHBondContact O-N 3.19Å; G220-L223 PolarHBondContact O-N 2.86Å; G220-F224 WeakPolarHBondContact O-CB 3.32Å; G220-F224 PolarHBondContact O-N 3.19Å
221V98.6Very high96.8Very high0 Ų010 Ų100%06%0.055CC..Hα-helixtrans-63.1-44.2175.8178.80000110.5Y193 W217 A218 F224 T225 P232 F233 L272Y193-V221 HydrophobicContact CD1-CB 3.83Å; Y193-V221 HydrophobicContact CD1-CG1 3.4Å; Y193-V221 VanDerWaalsContact CD1-CG1 3.4Å; Y193-V221 HydrophobicContact CE1-CB 4.24Å; Y193-V221 HydrophobicContact CE1-CG1 3.51Å; Y193-V221 HydrophobicContact CG-CG1 4.24Å; W217-V221 PolarHBondContact O-N 3.45Å; A218-V221 PolarHBondContact O-N 2.8Å; A218-V221 VanDerWaalsContact O-N 3.15Å; V221-F224 PolarHBondContact O-N 3.2Å; V221-T225 VanDerWaalsContact O-CB 3.32Å; V221-T225 WeakPolarHBondContact O-CB 3.01Å; V221-T225 PolarHBondContact O-N 3.29Å; V221-T225 PolarHBondContact O-OG1 3.49Å; V221-P232 HydrophobicContact CB-CG 4.36Å; V221-P232 HydrophobicContact CG1-CG 4.04Å; V221-P232 HydrophobicContact CG2-CG 4.21Å; V221-F233 HydrophobicContact CG2-CD2 4.33Å; V221-F233 HydrophobicContact CG2-CE2 4.09Å; V221-L272 HydrophobicContact CG2-CD2 3.81Å
222I98.7Very high96.7Very high0 Ų010.5 Ų10.50%06%0.058CC..Hα-helixtrans-62.1-50.9176.6-67.7161.8000110.3M134 L137 L154 P156 I159 Y193 A218 C219 F224 T225 L226M134-I222 HydrophobicContact SD-CG2 3.88Å; L137-I222 HydrophobicContact CD2-CD1 3.99Å; L137-I222 HydrophobicContact CD2-CG2 4.29Å; L154-I222 HydrophobicContact CB-CD1 4.1Å; P156-I222 HydrophobicContact CG-CG1 4.41Å; I159-I222 HydrophobicContact CD1-CD1 4.03Å; I159-I222 HydrophobicContact CD1-CG2 4.4Å; Y193-I222 HydrophobicContact CD1-CG1 4.22Å; Y193-I222 HydrophobicContact CE1-CG1 3.94Å; A218-I222 VanDerWaalsContact O-CG1 3.29Å; A218-I222 WeakPolarHBondContact O-CG1 3.32Å; A218-I222 PolarHBondContact O-N 2.73Å; C219-I222 PolarHBondContact O-N 2.72Å; I222-F224 VanDerWaalsContact C-N 3.32Å; I222-F224 PolarHBondContact O-N 3.29Å; I222-T225 PolarHBondContact O-N 3.37Å; I222-L226 HydrophobicContact CG2-CD1 3.82Å; I222-L226 HydrophobicContact CG2-CG 4.08Å; I222-L226 VanDerWaalsContact O-CG 3.3Å; I222-L226 WeakPolarHBondContact O-CG 3.32Å; I222-L226 PolarHBondContact O-N 2.85Å
223L98.7Very high96.6Very high0 Ų07.8 Ų7.80%05%0.046CC..Hα-helixtrans-56.1-45.4178.7170.857.5000111.8T130 M134 C219 G220 L227 V264 L267 I268 L271T130-L223 HydrophobicContact CG2-CD1 3.48Å; T130-L223 VanDerWaalsContact CG2-CD1 3.48Å; M134-L223 HydrophobicContact CE-CB 3.98Å; M134-L223 HydrophobicContact CG-CB 4.24Å; M134-L223 HydrophobicContact CG-CD1 3.94Å; M134-L223 HydrophobicContact SD-CB 4.03Å; C219-L223 WeakPolarHBondContact O-CB 3.46Å; C219-L223 PolarHBondContact O-N 3.19Å; G220-L223 PolarHBondContact O-N 2.86Å; L223-L227 HydrophobicContact CD1-CD1 3.77Å; L223-L227 HydrophobicContact CD1-CG 4.47Å; L223-L227 HydrophobicContact CG-CD1 4.46Å; L223-L227 WeakPolarHBondContact O-CG 3.24Å; L223-L227 PolarHBondContact O-N 3.05Å; L223-V264 HydrophobicContact CD1-CG2 3.86Å; L223-V264 HydrophobicContact CD2-CG2 4.4Å; L223-V264 HydrophobicContact CG-CG2 4.45Å; L223-L267 HydrophobicContact CD2-CB 4.31Å; L223-L267 HydrophobicContact CD2-CD2 3.67Å; L223-L267 HydrophobicContact CD2-CG 3.77Å; L223-I268 HydrophobicContact CB-CG1 4.39Å; L223-I268 HydrophobicContact CD2-CD1 4.42Å; L223-I268 HydrophobicContact CD2-CG1 3.51Å; L223-I268 HydrophobicContact CG-CD1 4.04Å; L223-I268 HydrophobicContact CG-CG1 3.58Å; L223-L271 HydrophobicContact CD2-CD1 4.2Å
224F98.3Very high96.3Very high7 Ų78.3 Ų8.33%0.0315%0.046CC..Hα-helixtrans-58.5-50.1173.9-173.8-73.4000111G220 V221 I222 L226 L227 A228 S230 P232 Y250 F252 W257 I268G220-F224 WeakPolarHBondContact O-CB 3.32Å; G220-F224 PolarHBondContact O-N 3.19Å; V221-F224 PolarHBondContact O-N 3.2Å; I222-F224 VanDerWaalsContact C-N 3.32Å; I222-F224 PolarHBondContact O-N 3.29Å; F224-L226 PolarHBondContact O-N 3.44Å; F224-L227 PolarHBondContact O-N 2.93Å; F224-A228 HydrophobicContact CD1-CB 3.95Å; F224-A228 HydrophobicContact CE1-CB 3.67Å; F224-A228 HydrophobicContact CZ-CB 4.42Å; F224-A228 WeakPolarHBondContact O-CB 3.32Å; F224-A228 PolarHBondContact O-N 3.46Å; F224-S230 WeakPolarHBondContact CD1-O 3.42Å; F224-S230 WeakPolarHBondContact CE1-O 3.46Å; F224-P232 HydrophobicContact CB-CB 4.35Å; F224-P232 HydrophobicContact CB-CG 4.11Å; F224-P232 HydrophobicContact CD1-CB 3.75Å; F224-P232 VanDerWaalsContact CD1-CD 3.49Å; F224-P232 HydrophobicContact CD1-CG 4.06Å; F224-P232 HydrophobicContact CD2-CB 3.8Å; F224-P232 HydrophobicContact CD2-CG 4.47Å; F224-P232 HydrophobicContact CE1-CB 3.93Å; F224-P232 HydrophobicContact CE2-CB 3.97Å; F224-P232 HydrophobicContact CG-CB 3.7Å; F224-P232 HydrophobicContact CG-CG 3.96Å; F224-P232 HydrophobicContact CZ-CB 4.03Å; F224-Y250 HydrophobicContact CD2-CD2 4.39Å; F224-Y250 HydrophobicContact CE2-CD2 4.08Å; F224-F252 HydrophobicContact CD2-CD1 4.46Å; F224-F252 HydrophobicContact CD2-CE1 4Å; F224-F252 AromaticContact CE2-CD1 3.94Å; F224-F252 HydrophobicContact CE2-CD1 3.94Å; F224-F252 AromaticContact CE2-CE1 3.9Å; F224-F252 HydrophobicContact CE2-CE1 3.9Å; F224-W257 AromaticContact CD1-CZ2 3.92Å; F224-W257 HydrophobicContact CD1-CZ2 3.92Å; F224-W257 AromaticContact CD2-CH2 3.93Å; F224-W257 HydrophobicContact CD2-CH2 3.93Å; F224-W257 AromaticContact CD2-CZ2 3.39Å; F224-W257 HydrophobicContact CD2-CZ2 3.39Å; F224-W257 AromaticContact CE1-CZ2 3.89Å; F224-W257 HydrophobicContact CE1-CZ2 3.89Å; F224-W257 AromaticContact CE2-CE2 3.76Å; F224-W257 HydrophobicContact CE2-CH2 4.24Å; F224-W257 AromaticContact CE2-CZ2 3.35Å; F224-W257 HydrophobicContact CE2-CZ2 3.35Å; F224-W257 AromaticContact CE2-NE1 3.88Å; F224-W257 HydrophobicContact CG-CH2 4.24Å; F224-W257 AromaticContact CG-CZ2 3.68Å; F224-W257 HydrophobicContact CG-CZ2 3.68Å; F224-W257 AromaticContact CZ-CE2 3.79Å; F224-W257 AromaticContact CZ-CZ2 3.62Å; F224-W257 HydrophobicContact CZ-CZ2 3.62Å; F224-W257 AromaticContact CZ-NE1 3.49Å; F224-I268 HydrophobicContact CB-CD1 4.34Å; F224-I268 HydrophobicContact CB-CG2 4.5Å; F224-I268 HydrophobicContact CD2-CD1 4.45Å; F224-I268 HydrophobicContact CD2-CG2 4.14Å
225T96.4Very high95.9Very high9 Ų911.7 Ų11.76%0.0556%0.061CC..Hα-helixtrans-64.3-39.6-174.7-55.60000112.3L119 V221 I222 L227 G229 P231L119-T225 HydrophobicContact CD2-CG2 3.88Å; V221-T225 VanDerWaalsContact O-CB 3.32Å; V221-T225 WeakPolarHBondContact O-CB 3.01Å; V221-T225 PolarHBondContact O-N 3.29Å; V221-T225 PolarHBondContact O-OG1 3.49Å; I222-T225 PolarHBondContact O-N 3.37Å; T225-L227 VanDerWaalsContact C-N 3.26Å; T225-L227 PolarHBondContact O-N 3.34Å; T225-G229 VanDerWaalsContact O-CA 3.26Å; T225-G229 WeakPolarHBondContact O-CA 3.27Å; T225-G229 PolarHBondContact O-N 3.18Å; T225-P231 WeakPolarHBondContact OG1-CA 3.36Å
226L96.9Very high95.2Very high0 Ų019.9 Ų19.90%09%0.092CC..Hα-helixtrans-62.5-33.4177.3-66.6174.9000112.4L115 L119 L125 T130 I133 M134 I222 F224L115-L226 HydrophobicContact CD1-CD2 4.07Å; L115-L226 HydrophobicContact CD2-CD1 4.41Å; L115-L226 HydrophobicContact CD2-CD2 3.91Å; L115-L226 HydrophobicContact CG-CD2 4Å; L119-L226 HydrophobicContact CD1-CD2 4.46Å; L119-L226 HydrophobicContact CD2-CD2 4.26Å; L125-L226 HydrophobicContact CD1-CB 4.33Å; L125-L226 HydrophobicContact CD1-CD2 3.81Å; L125-L226 HydrophobicContact CD1-CG 4.49Å; L125-L226 PolarHBondContact N-O 2.94Å; T130-L226 HydrophobicContact CG2-CB 4.05Å; T130-L226 HydrophobicContact CG2-CD1 4.11Å; I133-L226 HydrophobicContact CG2-CD1 3.97Å; M134-L226 HydrophobicContact CG-CD1 4.34Å; M134-L226 HydrophobicContact SD-CD1 4.04Å; I222-L226 HydrophobicContact CG2-CD1 3.82Å; I222-L226 HydrophobicContact CG2-CG 4.08Å; I222-L226 VanDerWaalsContact O-CG 3.3Å; I222-L226 WeakPolarHBondContact O-CG 3.32Å; I222-L226 PolarHBondContact O-N 2.85Å; F224-L226 PolarHBondContact O-N 3.44Å
227L95.9Very high94.7Very high0 Ų026.8 Ų26.80%012%0.122CC..Hα-helixtrans-87.8-42.3-177.5-66.5168.2000112.8T124 E127 T130 L223 F224 T225 W257 R260 V264 I268T124-L227 WeakPolarHBondContact CG2-O 3.5Å; E127-L227 HydrophobicContact CG-CD2 3.91Å; T130-L227 HydrophobicContact CG2-CD1 4.46Å; T130-L227 HydrophobicContact CG2-CD2 4.06Å; T130-L227 HydrophobicContact CG2-CG 4.05Å; T130-L227 WeakPolarHBondContact OG1-CD2 3.26Å; L223-L227 HydrophobicContact CD1-CD1 3.77Å; L223-L227 HydrophobicContact CD1-CG 4.47Å; L223-L227 HydrophobicContact CG-CD1 4.46Å; L223-L227 WeakPolarHBondContact O-CG 3.24Å; L223-L227 PolarHBondContact O-N 3.05Å; F224-L227 PolarHBondContact O-N 2.93Å; T225-L227 VanDerWaalsContact C-N 3.26Å; T225-L227 PolarHBondContact O-N 3.34Å; L227-W257 HydrophobicContact CB-CH2 4Å; L227-W257 HydrophobicContact CB-CZ3 4.41Å; L227-W257 HydrophobicContact CD1-CH2 4.16Å; L227-W257 HydrophobicContact CD1-CZ3 4.23Å; L227-R260 PolarHBondContact O-NH2 2.68Å; L227-V264 HydrophobicContact CD1-CB 4.37Å; L227-V264 HydrophobicContact CD1-CG1 4.02Å; L227-V264 HydrophobicContact CD1-CG2 3.43Å; L227-V264 VanDerWaalsContact CD1-CG2 3.43Å; L227-I268 HydrophobicContact CD1-CD1 4.25Å
228A92.3Very high94.2Very high6 Ų631.8 Ų31.85%0.0515%0.145CC..Hα-helixtrans-83.8-25.3-178.800000113F224 S230 W257F224-A228 HydrophobicContact CD1-CB 3.95Å; F224-A228 HydrophobicContact CE1-CB 3.67Å; F224-A228 HydrophobicContact CZ-CB 4.42Å; F224-A228 WeakPolarHBondContact O-CB 3.32Å; F224-A228 PolarHBondContact O-N 3.46Å; A228-S230 PolarHBondContact O-N 2.98Å; A228-W257 HydrophobicContact CB-CZ2 3.81Å
229G90.3Very high93.8Very high4 Ų438.1 Ų38.14%0.04118%0.176CC..SBendtrans74.26.2-171.200000113.3V123 T225 R370V123-G229 WeakPolarHBondContact O-CA 3.47Å; T225-G229 VanDerWaalsContact O-CA 3.26Å; T225-G229 WeakPolarHBondContact O-CA 3.27Å; T225-G229 PolarHBondContact O-N 3.18Å; G229-R370 WeakPolarHBondContact O-CD 3.25Å; G229-R370 PolarHBondContact O-NE 3.04Å
230S90.1Very high93.5Very high36 Ų3641.5 Ų41.525%0.25219%0.193SC..SBendtrans-146.5149.4176.861.90000109.3F224 A228F224-S230 WeakPolarHBondContact CD1-O 3.42Å; F224-S230 WeakPolarHBondContact CE1-O 3.46Å; A228-S230 PolarHBondContact O-N 2.98Å
231P93.5Very high93.3Very high16 Ų1642.2 Ų42.210%0.10420%0.197CC..  trans-72.7155.2-178.821.9-22.4000112.9T225 F233 W234 N369T225-P231 WeakPolarHBondContact OG1-CA 3.36Å; P231-F233 VanDerWaalsContact C-N 3.33Å; P231-W234 HydrophobicContact CG-CB 4.35Å; P231-N369 VanDerWaalsContact CD-OD1 3.29Å; P231-N369 WeakPolarHBondContact CD-OD1 3.5Å; P231-N369 WeakPolarHBondContact CG-ND2 3.45Å; P231-N369 WeakPolarHBondContact CG-OD1 3.36Å
232P95.4Very high93.1Very high11 Ų1143 Ų437%0.07120%0.201CC..SBendtrans-68-32.1179.724.6-30.9000113.1V221 F224 Y250 L272V221-P232 HydrophobicContact CB-CG 4.36Å; V221-P232 HydrophobicContact CG1-CG 4.04Å; V221-P232 HydrophobicContact CG2-CG 4.21Å; F224-P232 HydrophobicContact CB-CB 4.35Å; F224-P232 HydrophobicContact CB-CG 4.11Å; F224-P232 HydrophobicContact CD1-CB 3.75Å; F224-P232 VanDerWaalsContact CD1-CD 3.49Å; F224-P232 HydrophobicContact CD1-CG 4.06Å; F224-P232 HydrophobicContact CD2-CB 3.8Å; F224-P232 HydrophobicContact CD2-CG 4.47Å; F224-P232 HydrophobicContact CE1-CB 3.93Å; F224-P232 HydrophobicContact CE2-CB 3.97Å; F224-P232 HydrophobicContact CG-CB 3.7Å; F224-P232 HydrophobicContact CG-CG 3.96Å; F224-P232 HydrophobicContact CZ-CB 4.03Å; P232-Y250 HydrophobicContact CB-CG 4.34Å; P232-L272 HydrophobicContact CB-CD1 4.26Å; P232-L272 HydrophobicContact CG-CD1 4.17Å
233F95.1Very high93Very high0 Ų049.7 Ų49.70%023%0.227CC..SBendtrans-116.3112.8-179.9-46.4-71.5000108.9W217 V221 P231 M241 M244 I245 Y250 L272W217-F233 AromaticContact CE2-CE2 3.9Å; W217-F233 HydrophobicContact CH2-CE2 4.01Å; W217-F233 AromaticContact CH2-CZ 3.65Å; W217-F233 HydrophobicContact CH2-CZ 3.65Å; W217-F233 HydrophobicContact CZ2-CD2 4.19Å; W217-F233 HydrophobicContact CZ2-CE1 4.39Å; W217-F233 AromaticContact CZ2-CE2 3.27Å; W217-F233 HydrophobicContact CZ2-CE2 3.27Å; W217-F233 AromaticContact CZ2-CZ 3.4Å; W217-F233 HydrophobicContact CZ2-CZ 3.4Å; W217-F233 VanDerWaalsContact CZ2-CZ 3.4Å; V221-F233 HydrophobicContact CG2-CD2 4.33Å; V221-F233 HydrophobicContact CG2-CE2 4.09Å; P231-F233 VanDerWaalsContact C-N 3.33Å; F233-M241 HydrophobicContact CB-CG 4.45Å; F233-M244 HydrophobicContact CD1-CB 4.2Å; F233-I245 HydrophobicContact CB-CD1 4.32Å; F233-I245 HydrophobicContact CB-CG1 3.63Å; F233-I245 HydrophobicContact CD1-CG1 4.22Å; F233-I245 HydrophobicContact CD2-CG1 3.81Å; F233-I245 HydrophobicContact CG-CG1 3.61Å; F233-Y250 AromaticContact CE1-CD1 3.95Å; F233-Y250 HydrophobicContact CE1-CD1 3.95Å; F233-Y250 HydrophobicContact CE1-CG 4.36Å; F233-Y250 AromaticContact CZ-CD1 3.89Å; F233-Y250 HydrophobicContact CZ-CD1 3.89Å; F233-Y250 HydrophobicContact CZ-CG 4.45Å; F233-L272 HydrophobicContact CE2-CD1 4.38Å; F233-L272 HydrophobicContact CE2-CD2 4.28Å; F233-L272 HydrophobicContact CZ-CD1 4.34Å
234W90.6Very high92.9Very high74 Ų7452 Ų5228%0.2824%0.238SC..  trans-154.4137.1175.7-177.676.4000112.3P231 A371 Q375P231-W234 HydrophobicContact CG-CB 4.35Å; W234-A371 HydrophobicContact CD2-CB 3.55Å; W234-A371 VanDerWaalsContact CE2-CB 3.46Å; W234-A371 HydrophobicContact CE3-CB 4.03Å; W234-A371 HydrophobicContact CG-CB 3.83Å; W234-A371 HydrophobicContact CH2-CB 3.91Å; W234-A371 WeakPolarHBondContact CH2-O 3.42Å; W234-A371 HydrophobicContact CZ2-CB 3.67Å; W234-A371 HydrophobicContact CZ3-CB 4.2Å; W234-Q375 HydrophobicContact CH2-CG 3.52Å; W234-Q375 HydrophobicContact CZ2-CG 4.32Å; W234-Q375 HydrophobicContact CZ3-CG 4.42Å
235H90.1Very high92.8Very high75 Ų7551.7 Ų51.735%0.34724%0.237SC..  trans-155.8147.8172.6-167-85.9000109.6K237 L240 M241 M244H235-K237 VanDerWaalsContact C-N 3.32Å; H235-K237 PolarHBondContact ND1-N 2.93Å; H235-K237 PolarHBondContact ND1-O 3.45Å; H235-K237 PolarHBondContact O-N 2.88Å; H235-L240 HydrophobicContact CB-CB 4.11Å; H235-L240 WeakPolarHBondContact CE1-CD1 3.17Å; H235-L240 WeakPolarHBondContact ND1-CB 3.3Å; H235-M241 HydrophobicContact CB-CB 4.05Å; H235-M244 HydrophobicContact CB-SD 4.38Å
236R83.8Confident92.8Very high173 Ų17353.8 Ų53.865%0.65325%0.246SC*.SBendtrans-60.9-39.8179.3-179.3176173-174.7-5.2112.9
237K88.3Confident92.8Very high147 Ų14757.9 Ų57.964%0.63927%0.265SS*.SBendtrans-83.7114.4171.1-61.7-174.7178.2-177.90109H235 M239 L240 M241H235-K237 VanDerWaalsContact C-N 3.32Å; H235-K237 PolarHBondContact ND1-N 2.93Å; H235-K237 PolarHBondContact ND1-O 3.45Å; H235-K237 PolarHBondContact O-N 2.88Å; K237-M239 VanDerWaalsContact C-N 3.28Å; K237-M239 PolarHBondContact O-N 3.09Å; K237-L240 HydrophobicContact CB-CB 4.46Å; K237-L240 HydrophobicContact CB-CD1 4.18Å; K237-L240 HydrophobicContact CB-CG 4.28Å; K237-L240 HydrophobicContact CD-CD1 4.15Å; K237-L240 PolarHBondContact O-N 3.23Å; K237-M241 PolarHBondContact O-N 3.33Å
238Q89.4Confident92.8Very high105 Ų10558.6 Ų58.649%0.49127%0.273SS..Hα-helixtrans-52.1-44.2-178.9-177.4171.5-47.500112.3L240 M241 L242Q238-L240 PolarHBondContact O-N 2.9Å; Q238-M241 HydrophobicContact CG-CE 4.24Å; Q238-M241 WeakPolarHBondContact O-CA 3.48Å; Q238-M241 WeakPolarHBondContact O-CB 3.48Å; Q238-M241 PolarHBondContact O-N 3.24Å; Q238-L242 HydrophobicContact CG-CD1 4.23Å; Q238-L242 HydrophobicContact CG-CG 4.23Å; Q238-L242 WeakPolarHBondContact O-CG 3.24Å; Q238-L242 PolarHBondContact O-N 3.44Å
239M90.1Very high92.9Very high138 Ų13864.4 Ų64.468%0.6829%0.294SS*.Hα-helixtrans-56.7-34.6178.4-69.3-60.2-75.300113.9K237 L242 R243K237-M239 VanDerWaalsContact C-N 3.28Å; K237-M239 PolarHBondContact O-N 3.09Å; M239-L242 HydrophobicContact SD-CD1 4.39Å; M239-R243 WeakPolarHBondContact O-CB 3.4Å; M239-R243 PolarHBondContact O-N 3.1Å
240L93.4Very high93.1Very high70 Ų7066.7 Ų66.737%0.36630%0.301SS..Hα-helixtrans-75.9-34.8177.1-67.8177.3000111.7H235 K237 Q238 R243 M244H235-L240 HydrophobicContact CB-CB 4.11Å; H235-L240 WeakPolarHBondContact CE1-CD1 3.17Å; H235-L240 WeakPolarHBondContact ND1-CB 3.3Å; K237-L240 HydrophobicContact CB-CB 4.46Å; K237-L240 HydrophobicContact CB-CD1 4.18Å; K237-L240 HydrophobicContact CB-CG 4.28Å; K237-L240 HydrophobicContact CD-CD1 4.15Å; K237-L240 PolarHBondContact O-N 3.23Å; Q238-L240 PolarHBondContact O-N 2.9Å; L240-R243 PolarHBondContact O-N 2.87Å; L240-M244 WeakPolarHBondContact O-CG 3.45Å; L240-M244 PolarHBondContact O-N 3.03Å
241M94.5Very high93.2Very high15 Ų1571.4 Ų71.47%0.07432%0.319CS..Hα-helixtrans-63.2-46.1171.6179.2-172.775.100111P191 F233 H235 K237 Q238 R243 M244 I245P191-M241 HydrophobicContact CB-CE 3.66Å; F233-M241 HydrophobicContact CB-CG 4.45Å; H235-M241 HydrophobicContact CB-CB 4.05Å; K237-M241 PolarHBondContact O-N 3.33Å; Q238-M241 HydrophobicContact CG-CE 4.24Å; Q238-M241 WeakPolarHBondContact O-CA 3.48Å; Q238-M241 WeakPolarHBondContact O-CB 3.48Å; Q238-M241 PolarHBondContact O-N 3.24Å; M241-R243 VanDerWaalsContact C-N 3.29Å; M241-R243 PolarHBondContact O-N 3.44Å; M241-M244 WeakPolarHBondContact O-CB 3.38Å; M241-M244 PolarHBondContact O-N 3.25Å; M241-M244 VanDerWaalsContact O-N 3.09Å; M241-I245 HydrophobicContact CG-CD1 4.34Å; M241-I245 WeakPolarHBondContact O-CG1 3.3Å; M241-I245 PolarHBondContact O-N 3.15Å
242L94.1Very high93.2Very high18 Ų1873.4 Ų73.49%0.09433%0.326CS..Hα-helixtrans-59.8-40.4175.8-63.3-177.9000111.4L199 Q238 M239 M244 I245 M246L199-L242 HydrophobicContact CD1-CB 4.2Å; L199-L242 HydrophobicContact CD1-CD2 3.97Å; L199-L242 HydrophobicContact CD2-CD2 3.94Å; Q238-L242 HydrophobicContact CG-CD1 4.23Å; Q238-L242 HydrophobicContact CG-CG 4.23Å; Q238-L242 WeakPolarHBondContact O-CG 3.24Å; Q238-L242 PolarHBondContact O-N 3.44Å; M239-L242 HydrophobicContact SD-CD1 4.39Å; L242-M244 PolarHBondContact O-N 3.35Å; L242-I245 HydrophobicContact CD2-CD1 4.37Å; L242-I245 WeakPolarHBondContact O-CB 3.06Å; L242-I245 PolarHBondContact O-N 2.96Å; L242-M246 WeakPolarHBondContact O-CG 3.29Å; L242-M246 PolarHBondContact O-N 2.78Å
243R95.6Very high92.1Very high140 Ų14076.1 Ų76.153%0.52835%0.346SS..Hα-helixtrans-62.1-41.1173.1-176.3177.8177.21773.2112.6M239 L240 M241 I245 M246 E247M239-R243 WeakPolarHBondContact O-CB 3.4Å; M239-R243 PolarHBondContact O-N 3.1Å; L240-R243 PolarHBondContact O-N 2.87Å; M241-R243 VanDerWaalsContact C-N 3.29Å; M241-R243 PolarHBondContact O-N 3.44Å; R243-I245 VanDerWaalsContact C-N 3.32Å; R243-I245 PolarHBondContact O-N 3.38Å; R243-M246 PolarHBondContact O-N 3.45Å; R243-E247 WeakPolarHBondContact CG-OE1 3.37Å; R243-E247 IonicContact CZ-OE1 3.64Å; R243-E247 IonicContact NE-OE1 2.78Å; R243-E247 PolarHBondContact NE-OE1 3.04Å; R243-E247 IonicContact NH2-OE1 3.62Å; R243-E247 WeakPolarHBondContact O-CB 3.46Å; R243-E247 WeakPolarHBondContact O-CG 3.48Å; R243-E247 PolarHBondContact O-N 2.94Å; R243-E247 VanDerWaalsContact O-N 3.1Å
244M96.6Very high90.9Very high49 Ų4978.1 Ų78.124%0.24136%0.36CS..Hα-helixtrans-61.6-41.1175.1-69171.669.300111.8F233 H235 L240 M241 L242 G248 R249F233-M244 HydrophobicContact CD1-CB 4.2Å; H235-M244 HydrophobicContact CB-SD 4.38Å; L240-M244 WeakPolarHBondContact O-CG 3.45Å; L240-M244 PolarHBondContact O-N 3.03Å; M241-M244 WeakPolarHBondContact O-CB 3.38Å; M241-M244 PolarHBondContact O-N 3.25Å; M241-M244 VanDerWaalsContact O-N 3.09Å; L242-M244 PolarHBondContact O-N 3.35Å; M244-G248 PolarHBondContact O-N 2.87Å; M244-R249 PolarHBondContact O-N 3.27Å
245I97.3Very high90.3Very high0 Ų078 Ų780%037%0.368CS..Hα-helixtrans-61-54175-68.4168.1000109.9P191 L194 P196 L199 W217 F233 M241 L242 R243 E247 G248P191-I245 VanDerWaalsContact O-CD1 3.24Å; P191-I245 WeakPolarHBondContact O-CD1 3.16Å; L194-I245 WeakPolarHBondContact O-CG2 3.44Å; P196-I245 HydrophobicContact CG-CG2 4.26Å; P196-I245 WeakPolarHBondContact CG-O 3.5Å; L199-I245 HydrophobicContact CD1-CB 4.08Å; L199-I245 HydrophobicContact CD1-CG2 3.69Å; W217-I245 HydrophobicContact CZ2-CG2 3.9Å; F233-I245 HydrophobicContact CB-CD1 4.32Å; F233-I245 HydrophobicContact CB-CG1 3.63Å; F233-I245 HydrophobicContact CD1-CG1 4.22Å; F233-I245 HydrophobicContact CD2-CG1 3.81Å; F233-I245 HydrophobicContact CG-CG1 3.61Å; M241-I245 HydrophobicContact CG-CD1 4.34Å; M241-I245 WeakPolarHBondContact O-CG1 3.3Å; M241-I245 PolarHBondContact O-N 3.15Å; L242-I245 HydrophobicContact CD2-CD1 4.37Å; L242-I245 WeakPolarHBondContact O-CB 3.06Å; L242-I245 PolarHBondContact O-N 2.96Å; R243-I245 VanDerWaalsContact C-N 3.32Å; R243-I245 PolarHBondContact O-N 3.38Å; I245-E247 PolarHBondContact O-N 2.95Å; I245-E247 VanDerWaalsContact O-N 3.16Å; I245-G248 PolarHBondContact O-N 3.02Å
246M95.7Very high89.8Confident52 Ų5276.7 Ų76.726%0.25636%0.363SS..Hα-helixtrans-56.7-34.8-178.1-72.4176.974.600113.4L199 K200 M203 L242 R243L199-M246 HydrophobicContact CB-CG 4.03Å; L199-M246 HydrophobicContact CB-SD 4.41Å; L199-M246 HydrophobicContact CD1-CG 3.83Å; K200-M246 HydrophobicContact CG-CE 4.14Å; M203-M246 HydrophobicContact CE-SD 3.87Å; M203-M246 HydrophobicContact SD-CE 3.81Å; M203-M246 HydrophobicContact SD-SD 3.95Å; L242-M246 WeakPolarHBondContact O-CG 3.29Å; L242-M246 PolarHBondContact O-N 2.78Å; R243-M246 PolarHBondContact O-N 3.45Å
247E96.3Very high90Very high86 Ų8668.5 Ų68.540%0.40233%0.332SS..THydrogen-bonded Turntrans-90.1-4.5178.9-63.8-178.5-146.400113.4R243 I245 R249R243-E247 WeakPolarHBondContact CG-OE1 3.37Å; R243-E247 IonicContact CZ-OE1 3.64Å; R243-E247 IonicContact NE-OE1 2.78Å; R243-E247 PolarHBondContact NE-OE1 3.04Å; R243-E247 IonicContact NH2-OE1 3.62Å; R243-E247 WeakPolarHBondContact O-CB 3.46Å; R243-E247 WeakPolarHBondContact O-CG 3.48Å; R243-E247 PolarHBondContact O-N 2.94Å; R243-E247 VanDerWaalsContact O-N 3.1Å; I245-E247 PolarHBondContact O-N 2.95Å; I245-E247 VanDerWaalsContact O-N 3.16Å; E247-R249 HydrophobicContact CB-CG 4.23Å; E247-R249 PolarHBondContact O-N 3.21Å; E247-R249 IonicContact OE1-CZ 3.9Å; E247-R249 IonicContact OE1-NH2 2.79Å; E247-R249 PolarHBondContact OE1-NH2 3.12Å; E247-R249 IonicContact OE2-CZ 3.53Å; E247-R249 IonicContact OE2-NE 3.53Å; E247-R249 PolarHBondContact OE2-NE 2.83Å; E247-R249 IonicContact OE2-NH1 3.91Å; E247-R249 IonicContact OE2-NH2 3.66Å; E247-R249 PolarHBondContact OE2-NH2 3.43Å
248G96.4Very high89.8Confident16 Ų1667.2 Ų67.217%0.16533%0.332CS..THydrogen-bonded Turntrans61.128-176.100000113.7M244 I245 Y250M244-G248 PolarHBondContact O-N 2.87Å; I245-G248 PolarHBondContact O-N 3.02Å; G248-Y250 VanDerWaalsContact O-CD1 3.32Å; G248-Y250 WeakPolarHBondContact O-CD1 3.5Å; G248-Y250 PolarHBondContact O-N 3.12Å
249R94.7Very high89.5Confident128 Ų12867.5 Ų67.548%0.48334%0.337SS..  trans-84.197.1-176.9-85.1-167.1-72.9173.1-3.7111.6M244 E247M244-R249 PolarHBondContact O-N 3.27Å; E247-R249 HydrophobicContact CB-CG 4.23Å; E247-R249 PolarHBondContact O-N 3.21Å; E247-R249 IonicContact OE1-CZ 3.9Å; E247-R249 IonicContact OE1-NH2 2.79Å; E247-R249 PolarHBondContact OE1-NH2 3.12Å; E247-R249 IonicContact OE2-CZ 3.53Å; E247-R249 IonicContact OE2-NE 3.53Å; E247-R249 PolarHBondContact OE2-NE 2.83Å; E247-R249 IonicContact OE2-NH1 3.91Å; E247-R249 IonicContact OE2-NH2 3.66Å; E247-R249 PolarHBondContact OE2-NH2 3.43Å
250Y95.1Very high89.5Confident52 Ų5261.8 Ų61.820%0.20431%0.307CS..  trans-132.4165.2167.167.3-83000109.9F224 P232 F233 G248 F252 I268 S269 L272F224-Y250 HydrophobicContact CD2-CD2 4.39Å; F224-Y250 HydrophobicContact CE2-CD2 4.08Å; P232-Y250 HydrophobicContact CB-CG 4.34Å; F233-Y250 AromaticContact CE1-CD1 3.95Å; F233-Y250 HydrophobicContact CE1-CD1 3.95Å; F233-Y250 HydrophobicContact CE1-CG 4.36Å; F233-Y250 AromaticContact CZ-CD1 3.89Å; F233-Y250 HydrophobicContact CZ-CD1 3.89Å; F233-Y250 HydrophobicContact CZ-CG 4.45Å; G248-Y250 VanDerWaalsContact O-CD1 3.32Å; G248-Y250 WeakPolarHBondContact O-CD1 3.5Å; G248-Y250 PolarHBondContact O-N 3.12Å; Y250-F252 HydrophobicContact CD2-CE1 4.49Å; Y250-F252 HydrophobicContact CD2-CZ 4.39Å; Y250-F252 HydrophobicContact CE2-CE1 4.13Å; Y250-F252 AromaticContact CE2-CE2 3.92Å; Y250-F252 HydrophobicContact CE2-CE2 3.92Å; Y250-F252 AromaticContact CE2-CZ 3.63Å; Y250-F252 HydrophobicContact CE2-CZ 3.63Å; Y250-I268 HydrophobicContact CE2-CG2 4.18Å; Y250-S269 VanDerWaalsContact OH-CA 3.24Å; Y250-S269 WeakPolarHBondContact OH-CA 3.1Å; Y250-S269 WeakPolarHBondContact OH-CB 2.9Å; Y250-S269 PolarHBondContact OH-OG 3.45Å; Y250-L272 HydrophobicContact CD1-CB 4.36Å; Y250-L272 HydrophobicContact CD1-CD1 4.1Å; Y250-L272 HydrophobicContact CD2-CD1 4.38Å; Y250-L272 HydrophobicContact CE1-CB 3.68Å; Y250-L272 HydrophobicContact CE1-CD1 4.04Å; Y250-L272 HydrophobicContact CE2-CD1 4.33Å; Y250-L272 HydrophobicContact CG-CD1 4.29Å
251Q91.8Very high89.5Confident134 Ų13460.2 Ų60.263%0.62630%0.303SS*.  trans-144.2149-177.356.6-18011.500112.1S253Q251-S253 VanDerWaalsContact C-N 3.32Å; Q251-S253 VanDerWaalsContact CG-OG 3.22Å; Q251-S253 WeakPolarHBondContact CG-OG 3.26Å; Q251-S253 PolarHBondContact NE2-OG 2.94Å; Q251-S253 PolarHBondContact O-N 3.18Å; Q251-S253 PolarHBondContact OE1-OG 3.4Å
252F92.1Very high89.5Confident58 Ų5865.7 Ų65.725%0.25433%0.332SS..  trans-97.341.8173.3-56-63.9000111.3F224 Y250 W257 K265 I268F224-F252 HydrophobicContact CD2-CD1 4.46Å; F224-F252 HydrophobicContact CD2-CE1 4Å; F224-F252 AromaticContact CE2-CD1 3.94Å; F224-F252 HydrophobicContact CE2-CD1 3.94Å; F224-F252 AromaticContact CE2-CE1 3.9Å; F224-F252 HydrophobicContact CE2-CE1 3.9Å; Y250-F252 HydrophobicContact CD2-CE1 4.49Å; Y250-F252 HydrophobicContact CD2-CZ 4.39Å; Y250-F252 HydrophobicContact CE2-CE1 4.13Å; Y250-F252 AromaticContact CE2-CE2 3.92Å; Y250-F252 HydrophobicContact CE2-CE2 3.92Å; Y250-F252 AromaticContact CE2-CZ 3.63Å; Y250-F252 HydrophobicContact CE2-CZ 3.63Å; F252-W257 HydrophobicContact CB-CB 4.12Å; F252-W257 HydrophobicContact CB-CD2 4.22Å; F252-W257 HydrophobicContact CB-CG 3.96Å; F252-W257 AromaticContact CD1-CD2 3.53Å; F252-W257 HydrophobicContact CD1-CD2 3.53Å; F252-W257 AromaticContact CD1-CE2 3.67Å; F252-W257 AromaticContact CD1-CE3 3.59Å; F252-W257 HydrophobicContact CD1-CE3 3.59Å; F252-W257 HydrophobicContact CD1-CG 4.14Å; F252-W257 HydrophobicContact CD1-CH2 4.04Å; F252-W257 AromaticContact CD1-CZ2 3.94Å; F252-W257 HydrophobicContact CD1-CZ2 3.94Å; F252-W257 AromaticContact CD1-CZ3 3.84Å; F252-W257 HydrophobicContact CD1-CZ3 3.84Å; F252-W257 HydrophobicContact CE1-CD2 4.35Å; F252-W257 HydrophobicContact CE1-CE3 4.1Å; F252-W257 AromaticContact CE1-CH2 3.91Å; F252-W257 HydrophobicContact CE1-CH2 3.91Å; F252-W257 HydrophobicContact CE1-CZ2 4.11Å; F252-W257 AromaticContact CE1-CZ3 3.87Å; F252-W257 HydrophobicContact CE1-CZ3 3.87Å; F252-W257 HydrophobicContact CG-CD2 4.32Å; F252-W257 HydrophobicContact CG-CE3 4.43Å; F252-K265 HydrophobicContact CD1-CG 4.29Å; F252-K265 HydrophobicContact CD2-CB 4.44Å; F252-K265 HydrophobicContact CD2-CG 4.38Å; F252-K265 HydrophobicContact CE1-CB 4.49Å; F252-K265 HydrophobicContact CE1-CG 4.26Å; F252-K265 HydrophobicContact CE2-CB 4.04Å; F252-K265 HydrophobicContact CE2-CG 4.37Å; F252-K265 HydrophobicContact CG-CD 4.44Å; F252-K265 HydrophobicContact CG-CG 4.32Å; F252-K265 HydrophobicContact CZ-CB 4.05Å; F252-K265 HydrophobicContact CZ-CG 4.29Å; F252-I268 HydrophobicContact CE1-CB 4.36Å; F252-I268 HydrophobicContact CE1-CD1 4.09Å; F252-I268 HydrophobicContact CE1-CG2 3.99Å; F252-I268 HydrophobicContact CZ-CB 4.1Å; F252-I268 HydrophobicContact CZ-CG2 3.84Å
253S72.9Confident89.6Confident69 Ų6967.3 Ų67.348%0.48334%0.343SS..  trans-94-12.1-170.758.60000114.4Q251Q251-S253 VanDerWaalsContact C-N 3.32Å; Q251-S253 VanDerWaalsContact CG-OG 3.22Å; Q251-S253 WeakPolarHBondContact CG-OG 3.26Å; Q251-S253 PolarHBondContact NE2-OG 2.94Å; Q251-S253 PolarHBondContact O-N 3.18Å; Q251-S253 PolarHBondContact OE1-OG 3.4Å
254S70.8Confident89.6Confident41 Ų4160.6 Ų60.629%0.28732%0.317SS..SBendtrans-76.4148.1-179.4-38.90000111.3E256 W257S254-E256 WeakPolarHBondContact CB-OE2 3.07Å; S254-E256 PolarHBondContact O-N 3.37Å; S254-W257 WeakPolarHBondContact O-CB 3.38Å; S254-W257 PolarHBondContact O-N 2.91Å
255P77.4Confident89.7Confident71 Ų7160.1 Ų60.146%0.46131%0.314SS..G310 helixtrans-53.7-21.6178.3-25.533.8000114.3W257 D258P255-W257 PolarHBondContact O-N 2.99Å; P255-D258 PolarHBondContact O-N 3.3Å
256E79.9Confident89.7Confident49 Ų4962.9 Ų62.923%0.22933%0.329CS..G310 helixtrans-63.6-21.5175.8-64.667.5-143.400113S254 R260 R347S254-E256 WeakPolarHBondContact CB-OE2 3.07Å; S254-E256 PolarHBondContact O-N 3.37Å; E256-R260 VanDerWaalsContact O-CG 3.3Å; E256-R260 WeakPolarHBondContact O-CG 3.39Å; E256-R260 PolarHBondContact O-NE 3.32Å; E256-R347 IonicContact OE1-NH1 2.73Å; E256-R347 PolarHBondContact OE1-NH1 2.66Å
257W88.3Confident89.9Confident1 Ų160.4 Ų60.40%0.00432%0.317CS..G310 helixtrans-95.5-12.8-179.5-70.1103.7000114.5F224 L227 A228 F252 S254 P255 D259 R260 K265 I268F224-W257 AromaticContact CD1-CZ2 3.92Å; F224-W257 HydrophobicContact CD1-CZ2 3.92Å; F224-W257 AromaticContact CD2-CH2 3.93Å; F224-W257 HydrophobicContact CD2-CH2 3.93Å; F224-W257 AromaticContact CD2-CZ2 3.39Å; F224-W257 HydrophobicContact CD2-CZ2 3.39Å; F224-W257 AromaticContact CE1-CZ2 3.89Å; F224-W257 HydrophobicContact CE1-CZ2 3.89Å; F224-W257 AromaticContact CE2-CE2 3.76Å; F224-W257 HydrophobicContact CE2-CH2 4.24Å; F224-W257 AromaticContact CE2-CZ2 3.35Å; F224-W257 HydrophobicContact CE2-CZ2 3.35Å; F224-W257 AromaticContact CE2-NE1 3.88Å; F224-W257 HydrophobicContact CG-CH2 4.24Å; F224-W257 AromaticContact CG-CZ2 3.68Å; F224-W257 HydrophobicContact CG-CZ2 3.68Å; F224-W257 AromaticContact CZ-CE2 3.79Å; F224-W257 AromaticContact CZ-CZ2 3.62Å; F224-W257 HydrophobicContact CZ-CZ2 3.62Å; F224-W257 AromaticContact CZ-NE1 3.49Å; L227-W257 HydrophobicContact CB-CH2 4Å; L227-W257 HydrophobicContact CB-CZ3 4.41Å; L227-W257 HydrophobicContact CD1-CH2 4.16Å; L227-W257 HydrophobicContact CD1-CZ3 4.23Å; A228-W257 HydrophobicContact CB-CZ2 3.81Å; F252-W257 HydrophobicContact CB-CB 4.12Å; F252-W257 HydrophobicContact CB-CD2 4.22Å; F252-W257 HydrophobicContact CB-CG 3.96Å; F252-W257 AromaticContact CD1-CD2 3.53Å; F252-W257 HydrophobicContact CD1-CD2 3.53Å; F252-W257 AromaticContact CD1-CE2 3.67Å; F252-W257 AromaticContact CD1-CE3 3.59Å; F252-W257 HydrophobicContact CD1-CE3 3.59Å; F252-W257 HydrophobicContact CD1-CG 4.14Å; F252-W257 HydrophobicContact CD1-CH2 4.04Å; F252-W257 AromaticContact CD1-CZ2 3.94Å; F252-W257 HydrophobicContact CD1-CZ2 3.94Å; F252-W257 AromaticContact CD1-CZ3 3.84Å; F252-W257 HydrophobicContact CD1-CZ3 3.84Å; F252-W257 HydrophobicContact CE1-CD2 4.35Å; F252-W257 HydrophobicContact CE1-CE3 4.1Å; F252-W257 AromaticContact CE1-CH2 3.91Å; F252-W257 HydrophobicContact CE1-CH2 3.91Å; F252-W257 HydrophobicContact CE1-CZ2 4.11Å; F252-W257 AromaticContact CE1-CZ3 3.87Å; F252-W257 HydrophobicContact CE1-CZ3 3.87Å; F252-W257 HydrophobicContact CG-CD2 4.32Å; F252-W257 HydrophobicContact CG-CE3 4.43Å; S254-W257 WeakPolarHBondContact O-CB 3.38Å; S254-W257 PolarHBondContact O-N 2.91Å; P255-W257 PolarHBondContact O-N 2.99Å; W257-D259 VanDerWaalsContact C-N 3.28Å; W257-D259 PolarHBondContact O-N 2.86Å; W257-R260 HydrophobicContact CE3-CB 3.91Å; W257-R260 HydrophobicContact CE3-CG 3.9Å; W257-R260 HydrophobicContact CZ3-CB 4.34Å; W257-R260 HydrophobicContact CZ3-CG 4.33Å; W257-R260 PolarHBondContact O-N 2.97Å; W257-K265 HydrophobicContact CE3-CG 4.08Å; W257-K265 HydrophobicContact CZ3-CG 4.24Å; W257-K265 VanDerWaalsContact O-CE 3.27Å; W257-K265 WeakPolarHBondContact O-CE 3.38Å; W257-K265 PolarHBondContact O-NZ 3.25Å; W257-I268 HydrophobicContact CH2-CD1 3.3Å; W257-I268 HydrophobicContact CZ2-CD1 4.38Å; W257-I268 HydrophobicContact CZ3-CD1 3.7Å
258D84.1Confident90Very high120 Ų12056.3 Ų56.364%0.64230%0.298SS*.THydrogen-bonded Turntrans-60.8-39.8-178.4-70.8-19.1000111.7P255P255-D258 PolarHBondContact O-N 3.3Å
259D82.9Confident90.1Very high110 Ų11057.8 Ų57.859%0.58831%0.305SS*.THydrogen-bonded Turntrans-92.95.5-177.6-64.8-35.3000113.3W257 R344W257-D259 VanDerWaalsContact C-N 3.28Å; W257-D259 PolarHBondContact O-N 2.86Å; D259-R344 IonicContact OD2-CZ 2.66Å; D259-R344 IonicContact OD2-NH1 3.88Å; D259-R344 PolarHBondContact OD2-NH1 3.04Å
260R90.4Very high90.3Very high18 Ų1857.2 Ų57.27%0.06830%0.303CS..SBendtrans-95.1137.1-177.6-56.2-60.1-176.8167.85.5111.4L125 E127 L227 E256 W257 V264 K265L125-R260 VanDerWaalsContact O-CZ 3.31Å; L125-R260 PolarHBondContact O-NH1 2.93Å; L125-R260 PolarHBondContact O-NH2 3.44Å; E127-R260 WeakPolarHBondContact OE1-CA 3.43Å; L227-R260 PolarHBondContact O-NH2 2.68Å; E256-R260 VanDerWaalsContact O-CG 3.3Å; E256-R260 WeakPolarHBondContact O-CG 3.39Å; E256-R260 PolarHBondContact O-NE 3.32Å; W257-R260 HydrophobicContact CE3-CB 3.91Å; W257-R260 HydrophobicContact CE3-CG 3.9Å; W257-R260 HydrophobicContact CZ3-CB 4.34Å; W257-R260 HydrophobicContact CZ3-CG 4.33Å; W257-R260 PolarHBondContact O-N 2.97Å; R260-V264 HydrophobicContact CB-CG1 4.17Å; R260-K265 WeakPolarHBondContact O-CE 3.22Å; R260-K265 PolarHBondContact O-NZ 2.9Å
261S93.1Very high90.4Very high38 Ų3854.8 Ų54.827%0.26629%0.293SS..  trans-61.7145.2-177.167.20000112.1E127 T263 V264 K265E127-S261 PolarHBondContact OE1-N 3.4Å; E127-S261 PolarHBondContact OE1-OG 2.94Å; E127-S261 PolarHBondContact OE2-OG 2.97Å; S261-T263 PolarHBondContact O-N 3.35Å; S261-V264 VanDerWaalsContact O-CG1 3.32Å; S261-V264 WeakPolarHBondContact O-CG1 3.35Å; S261-V264 PolarHBondContact O-N 3.01Å; S261-V264 PolarHBondContact OG-N 3.1Å; S261-K265 PolarHBondContact O-N 3.49Å
262D93.6Very high90.8Very high130 Ų13048.7 Ų48.770%0.69527%0.265SS*.Hα-helixtrans-61.1-26.9172.2-63-33.5000111.1V264 K265 D266D262-V264 PolarHBondContact O-N 3.29Å; D262-K265 PolarHBondContact O-N 2.96Å; D262-D266 WeakPolarHBondContact O-CB 3.46Å; D262-D266 PolarHBondContact O-N 3.21Å
263T95.9Very high91.1Very high51 Ų5147.8 Ų47.831%0.31326%0.264SS..Hα-helixtrans-60-43.5175-53.60000112.8S261 L267 H288 S289 F290S261-T263 PolarHBondContact O-N 3.35Å; T263-L267 PolarHBondContact O-N 3.24Å; T263-H288 PolarHBondContact O-CE1 3.15Å; T263-H288 VanDerWaalsContact O-CE1 3.32Å; T263-S289 WeakPolarHBondContact CG2-OG 3.17Å; T263-F290 HydrophobicContact CG2-CB 3.98Å
264V96.9Very high92.3Very high0 Ų046.3 Ų46.30%025%0.252CS..Hα-helixtrans-77.3-32.3179.373.70000111.9E127 L223 L227 R260 S261 D262 L267 I268 F290E127-V264 HydrophobicContact CG-CG1 4.37Å; L223-V264 HydrophobicContact CD1-CG2 3.86Å; L223-V264 HydrophobicContact CD2-CG2 4.4Å; L223-V264 HydrophobicContact CG-CG2 4.45Å; L227-V264 HydrophobicContact CD1-CB 4.37Å; L227-V264 HydrophobicContact CD1-CG1 4.02Å; L227-V264 HydrophobicContact CD1-CG2 3.43Å; L227-V264 VanDerWaalsContact CD1-CG2 3.43Å; R260-V264 HydrophobicContact CB-CG1 4.17Å; S261-V264 VanDerWaalsContact O-CG1 3.32Å; S261-V264 WeakPolarHBondContact O-CG1 3.35Å; S261-V264 PolarHBondContact O-N 3.01Å; S261-V264 PolarHBondContact OG-N 3.1Å; D262-V264 PolarHBondContact O-N 3.29Å; V264-L267 PolarHBondContact O-N 3.44Å; V264-I268 WeakPolarHBondContact O-CG1 3.3Å; V264-I268 PolarHBondContact O-N 2.66Å; V264-F290 HydrophobicContact CB-CD2 3.76Å; V264-F290 HydrophobicContact CB-CE2 3.67Å; V264-F290 HydrophobicContact CB-CZ 4.46Å; V264-F290 HydrophobicContact CG2-CD2 3.86Å; V264-F290 HydrophobicContact CG2-CE1 4.4Å; V264-F290 HydrophobicContact CG2-CE2 3.5Å; V264-F290 HydrophobicContact CG2-CG 4.46Å; V264-F290 HydrophobicContact CG2-CZ 3.8Å
265K97.6Very high93.5Very high38 Ų3848.7 Ų48.717%0.16526%0.262CS..Hα-helixtrans-62.3-43172.4-66171.7-176.2165.10111.1F252 W257 R260 S261 D262 I268 S269F252-K265 HydrophobicContact CD1-CG 4.29Å; F252-K265 HydrophobicContact CD2-CB 4.44Å; F252-K265 HydrophobicContact CD2-CG 4.38Å; F252-K265 HydrophobicContact CE1-CB 4.49Å; F252-K265 HydrophobicContact CE1-CG 4.26Å; F252-K265 HydrophobicContact CE2-CB 4.04Å; F252-K265 HydrophobicContact CE2-CG 4.37Å; F252-K265 HydrophobicContact CG-CD 4.44Å; F252-K265 HydrophobicContact CG-CG 4.32Å; F252-K265 HydrophobicContact CZ-CB 4.05Å; F252-K265 HydrophobicContact CZ-CG 4.29Å; W257-K265 HydrophobicContact CE3-CG 4.08Å; W257-K265 HydrophobicContact CZ3-CG 4.24Å; W257-K265 VanDerWaalsContact O-CE 3.27Å; W257-K265 WeakPolarHBondContact O-CE 3.38Å; W257-K265 PolarHBondContact O-NZ 3.25Å; R260-K265 WeakPolarHBondContact O-CE 3.22Å; R260-K265 PolarHBondContact O-NZ 2.9Å; S261-K265 PolarHBondContact O-N 3.49Å; D262-K265 PolarHBondContact O-N 2.96Å; K265-I268 PolarHBondContact O-N 2.79Å; K265-S269 WeakPolarHBondContact O-CB 3.45Å; K265-S269 PolarHBondContact O-N 3.16Å; K265-S269 PolarHBondContact O-OG 3.41Å
266D98.2Very high94.5Very high59 Ų5947 Ų4732%0.31625%0.25SS..Hα-helixtrans-60-45.7174.4-175.647.5000111.7D262 I268 S269 R270 H288D262-D266 WeakPolarHBondContact O-CB 3.46Å; D262-D266 PolarHBondContact O-N 3.21Å; D266-I268 PolarHBondContact O-N 3.42Å; D266-S269 PolarHBondContact O-N 3.3Å; D266-R270 VanDerWaalsContact CG-NE 3.31Å; D266-R270 VanDerWaalsContact O-CG 3.3Å; D266-R270 WeakPolarHBondContact O-CG 3.39Å; D266-R270 PolarHBondContact O-N 2.93Å; D266-R270 IonicContact OD1-CZ 2.72Å; D266-R270 IonicContact OD1-NE 2.71Å; D266-R270 PolarHBondContact OD1-NE 3.41Å; D266-R270 IonicContact OD1-NH2 2.77Å; D266-R270 PolarHBondContact OD1-NH2 3.14Å; D266-R270 IonicContact OD2-CZ 3.95Å; D266-R270 IonicContact OD2-NE 2.97Å; D266-R270 PolarHBondContact OD2-NE 3.45Å; D266-R270 VanDerWaalsContact OD2-NE 3.09Å; D266-R270 IonicContact OD2-NH2 2.61Å; D266-R270 PolarHBondContact OD2-NH2 3.29Å; D266-H288 IonicContact OD2-CE1 3.1Å; D266-H288 IonicContact OD2-NE2 3.95Å; D266-H288 PolarHBondContact OD2-NE2 3.04Å; D266-H288 VanDerWaalsContact OD2-NE2 3.08Å
267L98.6Very high95.3Very high0 Ų049 Ų490%028%0.276CS..Hα-helixtrans-59.7-46.6176.6-179.757.4000112L223 T263 V264 S269 R270 L271 L280 A285 H288 F290 F291L223-L267 HydrophobicContact CD2-CB 4.31Å; L223-L267 HydrophobicContact CD2-CD2 3.67Å; L223-L267 HydrophobicContact CD2-CG 3.77Å; T263-L267 PolarHBondContact O-N 3.24Å; V264-L267 PolarHBondContact O-N 3.44Å; L267-S269 VanDerWaalsContact C-N 3.31Å; L267-S269 PolarHBondContact O-N 3.21Å; L267-R270 PolarHBondContact O-N 2.98Å; L267-L271 HydrophobicContact CD1-CD1 4.1Å; L267-L271 HydrophobicContact CD1-CG 4.3Å; L267-L271 HydrophobicContact CG-CD1 4.08Å; L267-L271 WeakPolarHBondContact O-CG 3.4Å; L267-L271 PolarHBondContact O-N 3.24Å; L267-L271 VanDerWaalsContact O-N 3.1Å; L267-L280 HydrophobicContact CD1-CD1 4.13Å; L267-A285 HydrophobicContact CD1-CB 4.37Å; L267-H288 HydrophobicContact CD1-CB 4Å; L267-F290 HydrophobicContact CB-CB 4.48Å; L267-F290 HydrophobicContact CD2-CB 3.87Å; L267-F290 HydrophobicContact CD2-CD1 3.53Å; L267-F290 HydrophobicContact CD2-CE1 4.35Å; L267-F290 HydrophobicContact CD2-CG 3.94Å; L267-F291 HydrophobicContact CD2-CD2 4.39Å; L267-F291 HydrophobicContact CD2-CE2 3.54Å; L267-F291 HydrophobicContact CD2-CZ 3.91Å
268I98.7Very high95.7Very high0 Ų051.9 Ų51.90%030%0.3CS..Hα-helixtrans-58.6-46176.6-69.9167.5000110.3L223 F224 L227 Y250 F252 W257 V264 K265 D266 R270 L271 L272L223-I268 HydrophobicContact CB-CG1 4.39Å; L223-I268 HydrophobicContact CD2-CD1 4.42Å; L223-I268 HydrophobicContact CD2-CG1 3.51Å; L223-I268 HydrophobicContact CG-CD1 4.04Å; L223-I268 HydrophobicContact CG-CG1 3.58Å; F224-I268 HydrophobicContact CB-CD1 4.34Å; F224-I268 HydrophobicContact CB-CG2 4.5Å; F224-I268 HydrophobicContact CD2-CD1 4.45Å; F224-I268 HydrophobicContact CD2-CG2 4.14Å; L227-I268 HydrophobicContact CD1-CD1 4.25Å; Y250-I268 HydrophobicContact CE2-CG2 4.18Å; F252-I268 HydrophobicContact CE1-CB 4.36Å; F252-I268 HydrophobicContact CE1-CD1 4.09Å; F252-I268 HydrophobicContact CE1-CG2 3.99Å; F252-I268 HydrophobicContact CZ-CB 4.1Å; F252-I268 HydrophobicContact CZ-CG2 3.84Å; W257-I268 HydrophobicContact CH2-CD1 3.3Å; W257-I268 HydrophobicContact CZ2-CD1 4.38Å; W257-I268 HydrophobicContact CZ3-CD1 3.7Å; V264-I268 WeakPolarHBondContact O-CG1 3.3Å; V264-I268 PolarHBondContact O-N 2.66Å; K265-I268 PolarHBondContact O-N 2.79Å; D266-I268 PolarHBondContact O-N 3.42Å; I268-R270 PolarHBondContact O-N 3.25Å; I268-L271 PolarHBondContact O-N 3.13Å; I268-L271 VanDerWaalsContact O-N 3.12Å; I268-L272 HydrophobicContact CG2-CD1 3.71Å; I268-L272 HydrophobicContact CG2-CG 4.18Å; I268-L272 WeakPolarHBondContact O-CB 3.3Å; I268-L272 PolarHBondContact O-N 3.08Å
269S98.4Very high96.4Very high46 Ų4646.6 Ų46.632%0.32227%0.271SS..Hα-helixtrans-66.5-23-178.3-66.50000114.5Y250 K265 D266 L267 V273Y250-S269 VanDerWaalsContact OH-CA 3.24Å; Y250-S269 WeakPolarHBondContact OH-CA 3.1Å; Y250-S269 WeakPolarHBondContact OH-CB 2.9Å; Y250-S269 PolarHBondContact OH-OG 3.45Å; K265-S269 WeakPolarHBondContact O-CB 3.45Å; K265-S269 PolarHBondContact O-N 3.16Å; K265-S269 PolarHBondContact O-OG 3.41Å; D266-S269 PolarHBondContact O-N 3.3Å; L267-S269 VanDerWaalsContact C-N 3.31Å; L267-S269 PolarHBondContact O-N 3.21Å; S269-V273 WeakPolarHBondContact O-CG2 3.39Å
270R98.6Very high97.2Very high117 Ų11742.5 Ų42.544%0.44225%0.249SC..Hα-helixtrans-88.9-16.4174-63.6174.2-175.7-124.86.8114D266 L267 I268 V273 L280D266-R270 VanDerWaalsContact CG-NE 3.31Å; D266-R270 VanDerWaalsContact O-CG 3.3Å; D266-R270 WeakPolarHBondContact O-CG 3.39Å; D266-R270 PolarHBondContact O-N 2.93Å; D266-R270 IonicContact OD1-CZ 2.72Å; D266-R270 IonicContact OD1-NE 2.71Å; D266-R270 PolarHBondContact OD1-NE 3.41Å; D266-R270 IonicContact OD1-NH2 2.77Å; D266-R270 PolarHBondContact OD1-NH2 3.14Å; D266-R270 IonicContact OD2-CZ 3.95Å; D266-R270 IonicContact OD2-NE 2.97Å; D266-R270 PolarHBondContact OD2-NE 3.45Å; D266-R270 VanDerWaalsContact OD2-NE 3.09Å; D266-R270 IonicContact OD2-NH2 2.61Å; D266-R270 PolarHBondContact OD2-NH2 3.29Å; L267-R270 PolarHBondContact O-N 2.98Å; I268-R270 PolarHBondContact O-N 3.25Å; R270-V273 WeakPolarHBondContact O-CG2 3.35Å; R270-L280 HydrophobicContact CB-CD1 3.48Å; R270-L280 VanDerWaalsContact CB-CD1 3.48Å; R270-L280 HydrophobicContact CB-CD2 4.38Å; R270-L280 HydrophobicContact CB-CG 3.69Å; R270-L280 HydrophobicContact CG-CD1 4.42Å; R270-L280 PolarHBondContact O-N 3.01Å
271L98.8Very high97.6Very high0 Ų044.8 Ų44.80%027%0.265CS..Hα-helixtrans-89.8-38.9171.4-70.3171000112L216 L223 L267 I268 V273 R279 L280 A285L216-L271 HydrophobicContact CB-CD2 4.17Å; L216-L271 HydrophobicContact CD1-CD2 4.12Å; L223-L271 HydrophobicContact CD2-CD1 4.2Å; L267-L271 HydrophobicContact CD1-CD1 4.1Å; L267-L271 HydrophobicContact CD1-CG 4.3Å; L267-L271 HydrophobicContact CG-CD1 4.08Å; L267-L271 WeakPolarHBondContact O-CG 3.4Å; L267-L271 PolarHBondContact O-N 3.24Å; L267-L271 VanDerWaalsContact O-N 3.1Å; I268-L271 PolarHBondContact O-N 3.13Å; I268-L271 VanDerWaalsContact O-N 3.12Å; L271-V273 PolarHBondContact O-N 3.35Å; L271-V273 VanDerWaalsContact O-N 3.12Å; L271-R279 WeakPolarHBondContact O-CD 3.13Å; L271-R279 VanDerWaalsContact O-CG 3.24Å; L271-R279 WeakPolarHBondContact O-CG 3.29Å; L271-R279 PolarHBondContact O-NE 3.1Å; L271-L280 HydrophobicContact CD2-CB 4.32Å; L271-A285 HydrophobicContact CD2-CB 4.22Å
272L98.7Very high97.8Very high7 Ų743.1 Ų43.14%0.03725%0.253CS..SBendtrans-88.551.4177.8-61.8-175.7000111.8W217 V221 P232 F233 Y250 I268W217-L272 HydrophobicContact CD2-CD2 3.93Å; W217-L272 HydrophobicContact CE3-CD2 4.1Å; W217-L272 HydrophobicContact CG-CD2 4.4Å; W217-L272 HydrophobicContact CZ2-CD2 4.42Å; W217-L272 HydrophobicContact CZ3-CB 4.31Å; W217-L272 HydrophobicContact CZ3-CD2 4.42Å; V221-L272 HydrophobicContact CG2-CD2 3.81Å; P232-L272 HydrophobicContact CB-CD1 4.26Å; P232-L272 HydrophobicContact CG-CD1 4.17Å; F233-L272 HydrophobicContact CE2-CD1 4.38Å; F233-L272 HydrophobicContact CE2-CD2 4.28Å; F233-L272 HydrophobicContact CZ-CD1 4.34Å; Y250-L272 HydrophobicContact CD1-CB 4.36Å; Y250-L272 HydrophobicContact CD1-CD1 4.1Å; Y250-L272 HydrophobicContact CD2-CD1 4.38Å; Y250-L272 HydrophobicContact CE1-CB 3.68Å; Y250-L272 HydrophobicContact CE1-CD1 4.04Å; Y250-L272 HydrophobicContact CE2-CD1 4.33Å; Y250-L272 HydrophobicContact CG-CD1 4.29Å; I268-L272 HydrophobicContact CG2-CD1 3.71Å; I268-L272 HydrophobicContact CG2-CG 4.18Å; I268-L272 WeakPolarHBondContact O-CB 3.3Å; I268-L272 PolarHBondContact O-N 3.08Å
273V98.6Very high98Very high38 Ų3843.3 Ų43.323%0.2325%0.25CC..  trans-97.9128.8175.3-178.20000109.1S269 R270 L271 D275 A278 R279S269-V273 WeakPolarHBondContact O-CG2 3.39Å; R270-V273 WeakPolarHBondContact O-CG2 3.35Å; L271-V273 PolarHBondContact O-N 3.35Å; L271-V273 VanDerWaalsContact O-N 3.12Å; V273-D275 HydrophobicContact CG1-CB 4.46Å; V273-D275 WeakPolarHBondContact CG1-O 3.16Å; V273-A278 HydrophobicContact CG1-CB 3.91Å; V273-R279 HydrophobicContact CB-CB 4.24Å; V273-R279 HydrophobicContact CB-CG 4.47Å; V273-R279 PolarHBondContact O-NE 3.23Å; V273-R279 PolarHBondContact O-NH2 2.82Å
274V98.1Very high98.1Very high38 Ų3845.7 Ų45.723%0.2326%0.258CS..SBendtrans-67-39.3-176.5174.40000112P196 P276P196-V274 HydrophobicContact CB-CG1 4.03Å; P196-V274 HydrophobicContact CG-CB 4.5Å; P196-V274 HydrophobicContact CG-CG1 4.27Å; P196-V274 HydrophobicContact CG-CG2 4.33Å; V274-P276 VanDerWaalsContact O-CD 3.3Å; V274-P276 WeakPolarHBondContact O-CD 3.44Å
275D97.7Very high98.2Very high91 Ų9145.7 Ų45.749%0.48726%0.258SS..SBendtrans-75.7114.8172.6178.96.7000109.9V273 A277 A278 R279V273-D275 HydrophobicContact CG1-CB 4.46Å; V273-D275 WeakPolarHBondContact CG1-O 3.16Å; D275-A277 PolarHBondContact O-N 2.85Å; D275-A277 WeakPolarHBondContact OD1-CB 3.44Å; D275-A277 PolarHBondContact OD1-N 3.28Å; D275-A278 HydrophobicContact CB-CB 4.19Å; D275-A278 PolarHBondContact O-N 3.44Å; D275-R279 PolarHBondContact O-N 2.69Å
276P97.3Very high98.2Very high35 Ų3545.5 Ų45.523%0.22726%0.258CS..THydrogen-bonded Turntrans-62-30.1-179.6-20.834.2000113E197 E213 V274 A278 R279E197-P276 HydrophobicContact CB-CG 3.96Å; E197-P276 VanDerWaalsContact CD-CG 3.46Å; E197-P276 HydrophobicContact CG-CG 3.85Å; E213-P276 HydrophobicContact CB-CB 3.88Å; E213-P276 HydrophobicContact CG-CB 4.06Å; V274-P276 VanDerWaalsContact O-CD 3.3Å; V274-P276 WeakPolarHBondContact O-CD 3.44Å; P276-A278 VanDerWaalsContact C-N 3.3Å; P276-A278 PolarHBondContact O-N 2.95Å; P276-R279 WeakPolarHBondContact O-CB 3.5Å; P276-R279 PolarHBondContact O-N 2.68Å
277A96.6Very high98.2Very high92 Ų9245.3 Ų45.376%0.7627%0.265SS*.THydrogen-bonded Turntrans-71.8-26.9-178.900000112.7D275D275-A277 PolarHBondContact O-N 2.85Å; D275-A277 WeakPolarHBondContact OD1-CB 3.44Å; D275-A277 PolarHBondContact OD1-N 3.28Å
278A97.9Very high98.1Very high61 Ų6146.1 Ų46.150%0.50427%0.269SS..THydrogen-bonded Turntrans-91.2-9.217600000113.1V273 D275 P276V273-A278 HydrophobicContact CG1-CB 3.91Å; D275-A278 HydrophobicContact CB-CB 4.19Å; D275-A278 PolarHBondContact O-N 3.44Å; P276-A278 VanDerWaalsContact C-N 3.3Å; P276-A278 PolarHBondContact O-N 2.95Å
279R98.6Very high98Very high9 Ų949.1 Ų49.13%0.03429%0.289CS..SBendtrans-74141.7178.5-165.2-179.6-60.1148.15.1110.1E197 E213 L216 L271 V273 D275 P276E197-R279 IonicContact OE1-CZ 3.86Å; E197-R279 IonicContact OE1-NH1 3.08Å; E197-R279 PolarHBondContact OE1-NH1 2.93Å; E197-R279 IonicContact OE1-NH2 3.41Å; E197-R279 PolarHBondContact OE1-NH2 3.05Å; E197-R279 IonicContact OE2-CZ 2.89Å; E197-R279 IonicContact OE2-NH1 3.11Å; E197-R279 IonicContact OE2-NH2 3.84Å; E197-R279 PolarHBondContact OE2-NH2 3.3Å; E213-R279 VanDerWaalsContact C-NH1 3.35Å; E213-R279 PolarHBondContact O-NH1 2.63Å; L216-R279 HydrophobicContact CB-CG 4.48Å; L271-R279 WeakPolarHBondContact O-CD 3.13Å; L271-R279 VanDerWaalsContact O-CG 3.24Å; L271-R279 WeakPolarHBondContact O-CG 3.29Å; L271-R279 PolarHBondContact O-NE 3.1Å; V273-R279 HydrophobicContact CB-CB 4.24Å; V273-R279 HydrophobicContact CB-CG 4.47Å; V273-R279 PolarHBondContact O-NE 3.23Å; V273-R279 PolarHBondContact O-NH2 2.82Å; D275-R279 PolarHBondContact O-N 2.69Å; P276-R279 WeakPolarHBondContact O-CB 3.5Å; P276-R279 PolarHBondContact O-N 2.68Å
280L98.6Very high97.8Very high25 Ų2547 Ų4713%0.13128%0.275CS..PPolyproline II helixtrans-61.8143.1177.1-63.3178.2000111.5L216 L267 R270 L271 Q284 A285L216-L280 WeakPolarHBondContact CG-O 3.24Å; L267-L280 HydrophobicContact CD1-CD1 4.13Å; R270-L280 HydrophobicContact CB-CD1 3.48Å; R270-L280 VanDerWaalsContact CB-CD1 3.48Å; R270-L280 HydrophobicContact CB-CD2 4.38Å; R270-L280 HydrophobicContact CB-CG 3.69Å; R270-L280 HydrophobicContact CG-CD1 4.42Å; R270-L280 PolarHBondContact O-N 3.01Å; L271-L280 HydrophobicContact CD2-CB 4.32Å; L280-Q284 HydrophobicContact CB-CB 4.25Å; L280-Q284 HydrophobicContact CD2-CB 3.95Å; L280-A285 HydrophobicContact CB-CB 4.38Å; L280-A285 HydrophobicContact CD1-CB 4.38Å
281T98.7Very high97.7Very high66 Ų6641.5 Ų41.541%0.40525%0.254SS..PPolyproline II helixtrans-75.8165.716272.30000110.8E283 Q284 A285T281-E283 VanDerWaalsContact C-N 3.29Å; T281-E283 PolarHBondContact O-N 2.87Å; T281-Q284 PolarHBondContact O-N 3.13Å; T281-Q284 VanDerWaalsContact OG1-CG 3.32Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.19Å; T281-Q284 PolarHBondContact OG1-N 2.97Å; T281-A285 WeakPolarHBondContact O-CB 3.5Å; T281-A285 PolarHBondContact O-N 3.09Å
282A98.3Very high97Very high3 Ų349.9 Ų49.93%0.02529%0.285CS..Hα-helixtrans-58.7-40.6176.600000112.4V141 Q142 L216 A285 L286V141-A282 HydrophobicContact CG1-CB 4.22Å; Q142-A282 HydrophobicContact CB-CB 3.77Å; Q142-A282 HydrophobicContact CG-CB 4.49Å; L216-A282 HydrophobicContact CD1-CB 4.06Å; A282-A285 PolarHBondContact O-N 2.8Å; A282-L286 WeakPolarHBondContact O-CB 3.24Å; A282-L286 WeakPolarHBondContact O-CG 3.43Å; A282-L286 PolarHBondContact O-N 3.18Å
283E98Very high95.2Very high133 Ų13356.6 Ų56.662%0.62132%0.321SS*.Hα-helixtrans-61.7-47.8175.8-175.4179.5-178.500112T281 A285 L286 A287T281-E283 VanDerWaalsContact C-N 3.29Å; T281-E283 PolarHBondContact O-N 2.87Å; E283-A285 VanDerWaalsContact C-N 3.32Å; E283-A285 PolarHBondContact O-N 3Å; E283-L286 PolarHBondContact O-N 3.21Å; E283-A287 PolarHBondContact O-N 2.77Å
284Q98.3Very high93Very high102 Ų10265.2 Ų65.248%0.47735%0.351SS..Hα-helixtrans-65-38.1178-67.1169.2-17.300111.7L280 T281 A287 H288L280-Q284 HydrophobicContact CB-CB 4.25Å; L280-Q284 HydrophobicContact CD2-CB 3.95Å; T281-Q284 PolarHBondContact O-N 3.13Å; T281-Q284 VanDerWaalsContact OG1-CG 3.32Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.19Å; T281-Q284 PolarHBondContact OG1-N 2.97Å; Q284-A287 PolarHBondContact O-N 3.43Å; Q284-H288 PolarHBondContact O-N 3.38Å
285A98.4Very high90.4Very high0 Ų071.4 Ų71.40%038%0.377CS..Hα-helixtrans-64.2-42.7175.400000111.5L138 L267 L271 L280 T281 A282 E283 A287 H288 F291L138-A285 HydrophobicContact CD1-CB 3.89Å; L138-A285 HydrophobicContact CD2-CB 4.12Å; L267-A285 HydrophobicContact CD1-CB 4.37Å; L271-A285 HydrophobicContact CD2-CB 4.22Å; L280-A285 HydrophobicContact CB-CB 4.38Å; L280-A285 HydrophobicContact CD1-CB 4.38Å; T281-A285 WeakPolarHBondContact O-CB 3.5Å; T281-A285 PolarHBondContact O-N 3.09Å; A282-A285 PolarHBondContact O-N 2.8Å; E283-A285 VanDerWaalsContact C-N 3.32Å; E283-A285 PolarHBondContact O-N 3Å; A285-A287 VanDerWaalsContact C-N 3.31Å; A285-A287 PolarHBondContact O-N 3.31Å; A285-H288 WeakPolarHBondContact O-CB 3.24Å; A285-H288 PolarHBondContact O-N 2.9Å; A285-H288 VanDerWaalsContact O-N 3.11Å; A285-F291 WeakPolarHBondContact O-CD2 3.21Å; A285-F291 WeakPolarHBondContact O-CE2 3.41Å
286L97.7Very high87.7Confident33 Ų3374 Ų7417%0.17338%0.384CS..Hα-helixtrans-64.9-32.3175.5-75.3166.6000112.8R135 L138 E139 Q142 A282 E283 H288R135-L286 HydrophobicContact CG-CD2 4.14Å; L138-L286 HydrophobicContact CB-CD1 4.33Å; L138-L286 HydrophobicContact CB-CD2 3.76Å; L138-L286 HydrophobicContact CB-CG 3.85Å; L138-L286 HydrophobicContact CD1-CD2 4.5Å; E139-L286 HydrophobicContact CG-CD1 3.98Å; E139-L286 HydrophobicContact CG-CD2 3.96Å; Q142-L286 HydrophobicContact CB-CD1 4.38Å; A282-L286 WeakPolarHBondContact O-CB 3.24Å; A282-L286 WeakPolarHBondContact O-CG 3.43Å; A282-L286 PolarHBondContact O-N 3.18Å; E283-L286 PolarHBondContact O-N 3.21Å; L286-H288 PolarHBondContact O-N 2.85Å
287A96.9Very high85.1Confident56 Ų5679.7 Ų79.746%0.46341%0.408SS..THydrogen-bonded Turntrans-73.5-10.1174.700000113.9E283 Q284 A285 R292E283-A287 PolarHBondContact O-N 2.77Å; Q284-A287 PolarHBondContact O-N 3.43Å; A285-A287 VanDerWaalsContact C-N 3.31Å; A285-A287 PolarHBondContact O-N 3.31Å; A287-R292 PolarHBondContact O-NE 3.16Å
288H97.7Very high82.6Confident17 Ų1780.6 Ų80.68%0.07940%0.399CS..SBendtrans-62.4147.7-177.3-169.6-97.7000112.5T263 D266 L267 Q284 A285 L286 F290 F291 R292T263-H288 PolarHBondContact O-CE1 3.15Å; T263-H288 VanDerWaalsContact O-CE1 3.32Å; D266-H288 IonicContact OD2-CE1 3.1Å; D266-H288 IonicContact OD2-NE2 3.95Å; D266-H288 PolarHBondContact OD2-NE2 3.04Å; D266-H288 VanDerWaalsContact OD2-NE2 3.08Å; L267-H288 HydrophobicContact CD1-CB 4Å; Q284-H288 PolarHBondContact O-N 3.38Å; A285-H288 WeakPolarHBondContact O-CB 3.24Å; A285-H288 PolarHBondContact O-N 2.9Å; A285-H288 VanDerWaalsContact O-N 3.11Å; L286-H288 PolarHBondContact O-N 2.85Å; H288-F290 VanDerWaalsContact ND1-CB 3.34Å; H288-F290 WeakPolarHBondContact ND1-CB 3.44Å; H288-F290 PolarHBondContact ND1-N 3.48Å; H288-F290 PolarHBondContact O-N 2.68Å; H288-F291 HydrophobicContact CB-CD2 4.46Å; H288-F291 PolarHBondContact O-N 3.2Å; H288-R292 PolarHBondContact O-N 3.02Å
289S95.4Very high80.4Confident62 Ų6282.3 Ų82.343%0.43440%0.403SS..THydrogen-bonded Turntrans-57.3-25.3-178.860.10000113.9T263 F291 R292T263-S289 WeakPolarHBondContact CG2-OG 3.17Å; S289-F291 VanDerWaalsContact C-N 3.26Å; S289-F291 PolarHBondContact O-N 2.93Å; S289-R292 PolarHBondContact O-N 2.92Å
290F96.1Very high78.3Confident2 Ų292.8 Ų92.81%0.00944%0.443CS..THydrogen-bonded Turntrans-59.1-35.9173.3-178.6-110.8000112.8E127 R131 T263 V264 L267 H288E127-F290 HydrophobicContact CB-CE2 4.43Å; R131-F290 HydrophobicContact CB-CE1 3.75Å; R131-F290 HydrophobicContact CB-CZ 3.69Å; R131-F290 VanDerWaalsContact CD-O 3.27Å; R131-F290 WeakPolarHBondContact CD-O 3.46Å; R131-F290 HydrophobicContact CG-CD1 4.33Å; R131-F290 HydrophobicContact CG-CE1 3.95Å; R131-F290 HydrophobicContact CG-CZ 4.25Å; R131-F290 PolarHBondContact NE-O 2.79Å; T263-F290 HydrophobicContact CG2-CB 3.98Å; V264-F290 HydrophobicContact CB-CD2 3.76Å; V264-F290 HydrophobicContact CB-CE2 3.67Å; V264-F290 HydrophobicContact CB-CZ 4.46Å; V264-F290 HydrophobicContact CG2-CD2 3.86Å; V264-F290 HydrophobicContact CG2-CE1 4.4Å; V264-F290 HydrophobicContact CG2-CE2 3.5Å; V264-F290 HydrophobicContact CG2-CG 4.46Å; V264-F290 HydrophobicContact CG2-CZ 3.8Å; L267-F290 HydrophobicContact CB-CB 4.48Å; L267-F290 HydrophobicContact CD2-CB 3.87Å; L267-F290 HydrophobicContact CD2-CD1 3.53Å; L267-F290 HydrophobicContact CD2-CE1 4.35Å; L267-F290 HydrophobicContact CD2-CG 3.94Å; H288-F290 VanDerWaalsContact ND1-CB 3.34Å; H288-F290 WeakPolarHBondContact ND1-CB 3.44Å; H288-F290 PolarHBondContact ND1-N 3.48Å; H288-F290 PolarHBondContact O-N 2.68Å
291F94.8Very high76.3Confident2 Ų298.7 Ų98.71%0.00947%0.474CS..THydrogen-bonded Turntrans-94.2-18.3179.4-61.7-70.2000113.2R131 M134 R135 L138 L267 A285 H288 S289 L293R131-F291 HydrophobicContact CG-CD1 3.8Å; R131-F291 HydrophobicContact CG-CE1 4.22Å; M134-F291 HydrophobicContact CB-CE1 3.97Å; M134-F291 HydrophobicContact CB-CZ 3.9Å; R135-F291 HydrophobicContact CB-CD1 3.85Å; R135-F291 HydrophobicContact CB-CE1 3.91Å; R135-F291 PolarHBondContact NH2-O 3.23Å; L138-F291 HydrophobicContact CD1-CE2 3.49Å; L138-F291 VanDerWaalsContact CD1-CE2 3.49Å; L138-F291 HydrophobicContact CD1-CZ 3.47Å; L138-F291 VanDerWaalsContact CD1-CZ 3.47Å; L267-F291 HydrophobicContact CD2-CD2 4.39Å; L267-F291 HydrophobicContact CD2-CE2 3.54Å; L267-F291 HydrophobicContact CD2-CZ 3.91Å; A285-F291 WeakPolarHBondContact O-CD2 3.21Å; A285-F291 WeakPolarHBondContact O-CE2 3.41Å; H288-F291 HydrophobicContact CB-CD2 4.46Å; H288-F291 PolarHBondContact O-N 3.2Å; S289-F291 VanDerWaalsContact C-N 3.26Å; S289-F291 PolarHBondContact O-N 2.93Å; F291-L293 PolarHBondContact O-N 2.91Å; F291-L293 VanDerWaalsContact O-N 3.15Å
292R85.2Confident74.4Confident175 Ų175102.9 Ų102.966%0.6649%0.487SS*.SBendtrans-56.4126.3174.1-66.8-175.2-174.6-167.3-2.9109A287 H288 S289 Y294A287-R292 PolarHBondContact O-NE 3.16Å; H288-R292 PolarHBondContact O-N 3.02Å; S289-R292 PolarHBondContact O-N 2.92Å; R292-Y294 PolarHBondContact O-N 3.3Å
293L61.1Low73.1Confident148 Ų148104.6 Ų104.678%0.77550%0.499SS*.  trans-54.1130.5168.6-73.9163.8000106.2F291 Q295F291-L293 PolarHBondContact O-N 2.91Å; F291-L293 VanDerWaalsContact O-N 3.15Å; L293-Q295 PolarHBondContact O-N 3.27Å
294Y52Low71.9Confident219 Ų219102.5 Ų102.586%0.85950%0.496SS*.  trans-61.484.1164.2-108.6-96.2000106.5R292 K296R292-Y294 PolarHBondContact O-N 3.3Å; Y294-K296 PolarHBondContact O-N 3.31Å
295Q42.4Very low70.7Confident169 Ų169108.2 Ų108.279%0.7951%0.514SS*.  trans-65.397.7151.4-82.1-174.1-10.900103.5L293 E297L293-Q295 PolarHBondContact O-N 3.27Å; Q295-E297 PolarHBondContact O-N 3.27Å
296K41.4Very low69.4Low146 Ų146115.6 Ų115.664%0.63555%0.546SS*.  trans-68.778.9170.9-160.3-177.5179.7-109.80105.6Y294 D298Y294-K296 PolarHBondContact O-N 3.31Å; K296-D298 VanDerWaalsContact CE-OD1 3.3Å; K296-D298 WeakPolarHBondContact CE-OD1 3.32Å; K296-D298 IonicContact NZ-OD1 2.68Å; K296-D298 PolarHBondContact NZ-OD1 3.24Å; K296-D298 IonicContact NZ-OD2 2.68Å; K296-D298 PolarHBondContact NZ-OD2 3.14Å; K296-D298 VanDerWaalsContact NZ-OD2 3.16Å; K296-D298 PolarHBondContact O-N 3.48Å
297E43.3Very low68.3Low154 Ų154116.3 Ų116.372%0.7255%0.551SS**  trans-60.8104.4152-81.9-170.8169.400104.2Q295 V299Q295-E297 PolarHBondContact O-N 3.27Å; E297-V299 HydrophobicContact CB-CG2 4.21Å; E297-V299 PolarHBondContact O-N 2.88Å
298D43.4Very low67.6Low110 Ų110120.1 Ų120.159%0.58856%0.558SS**  trans-67.544.3174.1-93.8-38.6000110.4K296 R300K296-D298 VanDerWaalsContact CE-OD1 3.3Å; K296-D298 WeakPolarHBondContact CE-OD1 3.32Å; K296-D298 IonicContact NZ-OD1 2.68Å; K296-D298 PolarHBondContact NZ-OD1 3.24Å; K296-D298 IonicContact NZ-OD2 2.68Å; K296-D298 PolarHBondContact NZ-OD2 3.14Å; K296-D298 VanDerWaalsContact NZ-OD2 3.16Å; K296-D298 PolarHBondContact O-N 3.48Å; D298-R300 VanDerWaalsContact C-N 3.34Å; D298-R300 PolarHBondContact O-N 3.25Å
299V53.1Low66.8Low97 Ų97128.4 Ų128.459%0.58859%0.588SS**  trans-90.282.8168.1-164.20000106.5E297 L301E297-V299 HydrophobicContact CB-CG2 4.21Å; E297-V299 PolarHBondContact O-N 2.88Å; V299-L301 HydrophobicContact CG1-CD2 4.31Å; V299-L301 HydrophobicContact CG1-CG 4Å; V299-L301 PolarHBondContact O-N 3.33Å
300R54Low66.2Low230 Ų230129.7 Ų129.787%0.86859%0.593SS**  trans-62.980.7163.6-73.4-177177.5-177.60.2108.5D298 F302D298-R300 VanDerWaalsContact C-N 3.34Å; D298-R300 PolarHBondContact O-N 3.25Å; R300-F302 PolarHBondContact O-N 3.11Å
301L57Low65.8Low148 Ų148134.3 Ų134.378%0.77562%0.618SS**  trans-63.5106.1166.6-75.7165.2000107.3V299 S303V299-L301 HydrophobicContact CG1-CD2 4.31Å; V299-L301 HydrophobicContact CG1-CG 4Å; V299-L301 PolarHBondContact O-N 3.33Å; L301-S303 PolarHBondContact O-N 2.88Å
302F57.4Low65.5Low154 Ų154137.9 Ų137.968%0.67564%0.636SS**  trans-58.9105.8174.3176.7-98.7000108.5R300 P304 T307R300-F302 PolarHBondContact O-N 3.11Å; F302-P304 HydrophobicContact CD1-CG 4.25Å; F302-P304 HydrophobicContact CE1-CB 4.36Å; F302-P304 HydrophobicContact CE1-CG 3.87Å; F302-T307 HydrophobicContact CD2-CG2 4.21Å; F302-T307 WeakPolarHBondContact CD2-OG1 3.34Å; F302-T307 HydrophobicContact CE2-CG2 3.56Å; F302-T307 WeakPolarHBondContact CE2-OG1 3.35Å; F302-T307 HydrophobicContact CZ-CG2 4.38Å
303S72.3Confident65.5Low40 Ų40133.5 Ų133.528%0.2863%0.629SS.*  trans-102.1110.4173.5169.90000107.6L301 R305 K306 T307L301-S303 PolarHBondContact O-N 2.88Å; S303-R305 PolarHBondContact O-N 3.27Å; S303-R305 VanDerWaalsContact O-N 3.09Å; S303-K306 PolarHBondContact O-N 3.32Å; S303-T307 WeakPolarHBondContact O-CB 3.4Å; S303-T307 PolarHBondContact O-N 2.75Å; S303-T307 PolarHBondContact O-OG1 2.88Å
304P72.5Confident66.8Low88 Ų88129 Ų12957%0.57161%0.61SS**Hα-helixtrans-52.6-39-175.3-27.532.8000113F302 F308F302-P304 HydrophobicContact CD1-CG 4.25Å; F302-P304 HydrophobicContact CE1-CB 4.36Å; F302-P304 HydrophobicContact CE1-CG 3.87Å; P304-F308 WeakPolarHBondContact O-CB 3.26Å; P304-F308 PolarHBondContact O-N 3.43Å
305R71.8Confident68.7Low223 Ų223122.2 Ų122.284%0.84259%0.591SS**Hα-helixtrans-70-42.5177.5-68.1-175.6177.7175.1-0.2113S303 R309S303-R305 PolarHBondContact O-N 3.27Å; S303-R305 VanDerWaalsContact O-N 3.09Å; R305-R309 WeakPolarHBondContact O-CB 3.36Å; R305-R309 PolarHBondContact O-N 3.04Å
306K70.9Confident70.9Confident155 Ų155117.8 Ų117.867%0.67457%0.572SS**Hα-helixtrans-69.4-42.7176.7-65.4-179179.1178.70110.7S303 R309 V310S303-K306 PolarHBondContact O-N 3.32Å; K306-R309 PolarHBondContact O-N 3.11Å; K306-V310 WeakPolarHBondContact O-CB 3.1Å; K306-V310 VanDerWaalsContact O-CG2 3.22Å; K306-V310 WeakPolarHBondContact O-CG2 3.48Å; K306-V310 PolarHBondContact O-N 3.26Å
307T76.5Confident72.9Confident47 Ų47112.6 Ų112.629%0.28856%0.557SS.*Hα-helixtrans-61.4-44.6175.9-50.80000110.9F302 S303 V310 L311F302-T307 HydrophobicContact CD2-CG2 4.21Å; F302-T307 WeakPolarHBondContact CD2-OG1 3.34Å; F302-T307 HydrophobicContact CE2-CG2 3.56Å; F302-T307 WeakPolarHBondContact CE2-OG1 3.35Å; F302-T307 HydrophobicContact CZ-CG2 4.38Å; S303-T307 WeakPolarHBondContact O-CB 3.4Å; S303-T307 PolarHBondContact O-N 2.75Å; S303-T307 PolarHBondContact O-OG1 2.88Å; T307-V310 PolarHBondContact O-N 3.13Å; T307-L311 HydrophobicContact CG2-CD1 4.4Å; T307-L311 WeakPolarHBondContact O-CB 3.16Å; T307-L311 PolarHBondContact O-N 3.38Å
308F81.1Confident75.1Confident136 Ų136109.2 Ų109.260%0.59655%0.549SS*.Hα-helixtrans-63.9-42.9176-172.9-111.1000112.3P304 L311 I312P304-F308 WeakPolarHBondContact O-CB 3.26Å; P304-F308 PolarHBondContact O-N 3.43Å; F308-L311 WeakPolarHBondContact O-CB 3.49Å; F308-L311 PolarHBondContact O-N 2.65Å; F308-I312 HydrophobicContact CD1-CD1 3.84Å; F308-I312 HydrophobicContact CE1-CD1 3.39Å; F308-I312 HydrophobicContact CE1-CG1 4.35Å; F308-I312 HydrophobicContact CE2-CD1 4.47Å; F308-I312 HydrophobicContact CZ-CD1 3.75Å; F308-I312 HydrophobicContact CZ-CG1 4.39Å; F308-I312 WeakPolarHBondContact O-CG1 3.24Å; F308-I312 PolarHBondContact O-N 3.26Å
309R80.8Confident77Confident191 Ų191108.6 Ų108.672%0.72155%0.545SS*.Hα-helixtrans-63.9-42.4175.7-168.3175.7-176.6174.9-0.1111.6R305 K306 L311 I312 V313R305-R309 WeakPolarHBondContact O-CB 3.36Å; R305-R309 PolarHBondContact O-N 3.04Å; K306-R309 PolarHBondContact O-N 3.11Å; R309-L311 VanDerWaalsContact C-N 3.34Å; R309-I312 PolarHBondContact O-N 3.42Å; R309-V313 WeakPolarHBondContact O-CB 3.42Å; R309-V313 VanDerWaalsContact O-CG2 3.25Å; R309-V313 WeakPolarHBondContact O-CG2 3.49Å; R309-V313 PolarHBondContact O-N 3.3Å
310V82.6Confident78.2Confident89 Ų89111.4 Ų111.454%0.53955%0.545SS..Hα-helixtrans-64.9-38.8174.6170.80000110.7K306 T307 V313 S314K306-V310 WeakPolarHBondContact O-CB 3.1Å; K306-V310 VanDerWaalsContact O-CG2 3.22Å; K306-V310 WeakPolarHBondContact O-CG2 3.48Å; K306-V310 PolarHBondContact O-N 3.26Å; T307-V310 PolarHBondContact O-N 3.13Å; V310-V313 PolarHBondContact O-N 2.83Å; V310-S314 WeakPolarHBondContact O-CA 3.45Å; V310-S314 WeakPolarHBondContact O-CB 3.29Å; V310-S314 PolarHBondContact O-N 2.74Å; V310-S314 PolarHBondContact O-OG 2.86Å
311L87.8Confident79.3Confident99 Ų99106.8 Ų106.852%0.51854%0.535SS..Hα-helixtrans-61.5-48.2174.7-114.3148.8000111.3T307 F308 R309 S314 V315T307-L311 HydrophobicContact CG2-CD1 4.4Å; T307-L311 WeakPolarHBondContact O-CB 3.16Å; T307-L311 PolarHBondContact O-N 3.38Å; F308-L311 WeakPolarHBondContact O-CB 3.49Å; F308-L311 PolarHBondContact O-N 2.65Å; R309-L311 VanDerWaalsContact C-N 3.34Å; L311-S314 PolarHBondContact O-N 3.15Å; L311-V315 HydrophobicContact CD2-CG2 4.49Å; L311-V315 WeakPolarHBondContact O-CB 3.33Å; L311-V315 VanDerWaalsContact O-CG2 3.24Å; L311-V315 WeakPolarHBondContact O-CG2 3.28Å; L311-V315 PolarHBondContact O-N 2.81Å
312I89.8Confident80.4Confident78 Ų78106.4 Ų106.440%0.452%0.524SS..Hα-helixtrans-59.8-49175.1-71.5176000110.5F308 R309 S314 V315 L316F308-I312 HydrophobicContact CD1-CD1 3.84Å; F308-I312 HydrophobicContact CE1-CD1 3.39Å; F308-I312 HydrophobicContact CE1-CG1 4.35Å; F308-I312 HydrophobicContact CE2-CD1 4.47Å; F308-I312 HydrophobicContact CZ-CD1 3.75Å; F308-I312 HydrophobicContact CZ-CG1 4.39Å; F308-I312 WeakPolarHBondContact O-CG1 3.24Å; F308-I312 PolarHBondContact O-N 3.26Å; R309-I312 PolarHBondContact O-N 3.42Å; I312-S314 VanDerWaalsContact C-N 3.31Å; I312-S314 PolarHBondContact O-N 3.1Å; I312-V315 PolarHBondContact O-N 2.9Å; I312-L316 HydrophobicContact CG2-CD1 3.74Å; I312-L316 HydrophobicContact CG2-CG 4.3Å; I312-L316 VanDerWaalsContact O-CB 3.3Å; I312-L316 WeakPolarHBondContact O-CB 3.36Å; I312-L316 VanDerWaalsContact O-CG 3.22Å; I312-L316 WeakPolarHBondContact O-CG 3.35Å; I312-L316 PolarHBondContact O-N 3.41Å
313V84.5Confident81Confident83 Ų83100.8 Ų100.850%0.50350%0.504SS..Hα-helixtrans-63.7-37.9179.5171.80000111.2R309 V310 A317R309-V313 WeakPolarHBondContact O-CB 3.42Å; R309-V313 VanDerWaalsContact O-CG2 3.25Å; R309-V313 WeakPolarHBondContact O-CG2 3.49Å; R309-V313 PolarHBondContact O-N 3.3Å; V310-V313 PolarHBondContact O-N 2.83Å; V313-A317 WeakPolarHBondContact O-CA 3.45Å; V313-A317 WeakPolarHBondContact O-CB 3.25Å; V313-A317 PolarHBondContact O-N 2.73Å
314S88.1Confident80.6Confident54 Ų54108.1 Ų108.138%0.37853%0.525SS..Hα-helixtrans-68.8-43.7178.1-59.60000111.3V310 L311 I312 A317 C318V310-S314 WeakPolarHBondContact O-CA 3.45Å; V310-S314 WeakPolarHBondContact O-CB 3.29Å; V310-S314 PolarHBondContact O-N 2.74Å; V310-S314 PolarHBondContact O-OG 2.86Å; L311-S314 PolarHBondContact O-N 3.15Å; I312-S314 VanDerWaalsContact C-N 3.31Å; I312-S314 PolarHBondContact O-N 3.1Å; S314-A317 CarbonylContact O-C 3.31Å; S314-A317 PolarHBondContact O-N 2.84Å; S314-C318 WeakPolarHBondContact O-CB 3.42Å; S314-C318 PolarHBondContact O-N 3.38Å; S314-C318 PolarHBondContact O-SG 2.88Å
315V92.4Very high80.3Confident75 Ų75113.3 Ų113.346%0.45554%0.535SS..Hα-helixtrans-64.1-46.1174.8170.60000110.2L311 I312 A317 C318 I319L311-V315 HydrophobicContact CD2-CG2 4.49Å; L311-V315 WeakPolarHBondContact O-CB 3.33Å; L311-V315 VanDerWaalsContact O-CG2 3.24Å; L311-V315 WeakPolarHBondContact O-CG2 3.28Å; L311-V315 PolarHBondContact O-N 2.81Å; I312-V315 PolarHBondContact O-N 2.9Å; V315-A317 VanDerWaalsContact C-N 3.3Å; V315-A317 PolarHBondContact O-N 3.24Å; V315-C318 PolarHBondContact O-N 3.36Å; V315-I319 HydrophobicContact CG1-CD1 3.74Å; V315-I319 HydrophobicContact CG1-CG1 4.42Å; V315-I319 WeakPolarHBondContact O-CB 3.38Å; V315-I319 WeakPolarHBondContact O-CG1 3.33Å; V315-I319 PolarHBondContact O-N 3.2Å
316L87.2Confident79.7Confident76 Ų76111.8 Ų111.840%0.39853%0.529SS..Hα-helixtrans-63-36.3174.7-71.1174.3000111.9I312 R320I312-L316 HydrophobicContact CG2-CD1 3.74Å; I312-L316 HydrophobicContact CG2-CG 4.3Å; I312-L316 VanDerWaalsContact O-CB 3.3Å; I312-L316 WeakPolarHBondContact O-CB 3.36Å; I312-L316 VanDerWaalsContact O-CG 3.22Å; I312-L316 WeakPolarHBondContact O-CG 3.35Å; I312-L316 PolarHBondContact O-N 3.41Å; L316-R320 WeakPolarHBondContact O-CB 2.92Å; L316-R320 WeakPolarHBondContact O-CG 3.41Å; L316-R320 PolarHBondContact O-N 2.96Å
317A85Confident78.9Confident38 Ų38113.9 Ų113.931%0.31453%0.533SS..Hα-helixtrans-69.8-43175.700000111.3V313 S314 V315 R320 M321V313-A317 WeakPolarHBondContact O-CA 3.45Å; V313-A317 WeakPolarHBondContact O-CB 3.25Å; V313-A317 PolarHBondContact O-N 2.73Å; S314-A317 CarbonylContact O-C 3.31Å; S314-A317 PolarHBondContact O-N 2.84Å; V315-A317 VanDerWaalsContact C-N 3.3Å; V315-A317 PolarHBondContact O-N 3.24Å; A317-R320 CarbonylContact O-C 3.47Å; A317-R320 PolarHBondContact O-N 3.36Å; A317-M321 VanDerWaalsContact O-CB 3.24Å; A317-M321 WeakPolarHBondContact O-CB 3.29Å; A317-M321 VanDerWaalsContact O-CG 3.26Å; A317-M321 WeakPolarHBondContact O-CG 3.49Å; A317-M321 PolarHBondContact O-N 2.8Å
318C88.3Confident77.5Confident82 Ų82114.8 Ų114.855%0.55455%0.545SS*.Hα-helixtrans-63.1-43.2173.7-73.50000111.2S314 V315 M321 Y322S314-C318 WeakPolarHBondContact O-CB 3.42Å; S314-C318 PolarHBondContact O-N 3.38Å; S314-C318 PolarHBondContact O-SG 2.88Å; V315-C318 PolarHBondContact O-N 3.36Å; C318-M321 PolarHBondContact O-N 2.82Å; C318-Y322 WeakPolarHBondContact O-CB 3.32Å; C318-Y322 PolarHBondContact O-N 2.85Å
319I83.4Confident76.2Confident97 Ų97118.6 Ų118.650%0.49756%0.556SS.*Hα-helixtrans-64.4-42.8173.7-68.2167.9000110.1V315 S323V315-I319 HydrophobicContact CG1-CD1 3.74Å; V315-I319 HydrophobicContact CG1-CG1 4.42Å; V315-I319 WeakPolarHBondContact O-CB 3.38Å; V315-I319 WeakPolarHBondContact O-CG1 3.33Å; V315-I319 PolarHBondContact O-N 3.2Å; I319-S323 WeakPolarHBondContact O-CB 3.15Å; I319-S323 PolarHBondContact O-N 3.28Å; I319-S323 PolarHBondContact O-OG 2.88Å
320R79.4Confident75.1Confident156 Ų156114.1 Ų114.159%0.58955%0.551SS**Hα-helixtrans-65.8-36175.3-81.4-179.1-178.2121.6-2112.6L316 A317 S323 R324L316-R320 WeakPolarHBondContact O-CB 2.92Å; L316-R320 WeakPolarHBondContact O-CG 3.41Å; L316-R320 PolarHBondContact O-N 2.96Å; A317-R320 CarbonylContact O-C 3.47Å; A317-R320 PolarHBondContact O-N 3.36Å; R320-S323 VanDerWaalsContact CA-OG 3.3Å; R320-S323 WeakPolarHBondContact CA-OG 3.27Å; R320-S323 PolarHBondContact O-OG 3.37Å; R320-S323 VanDerWaalsContact O-OG 3.14Å; R320-R324 WeakPolarHBondContact O-CA 3.37Å; R320-R324 WeakPolarHBondContact O-CB 3.44Å; R320-R324 WeakPolarHBondContact O-CG 3.41Å; R320-R324 PolarHBondContact O-N 2.89Å
321M77.4Confident74.2Confident134 Ų134115.1 Ų115.166%0.6655%0.553SS**Hα-helixtrans-75.5-42.3177.5-79.5-178.262.600110.6A317 C318 R324 Y325A317-M321 VanDerWaalsContact O-CB 3.24Å; A317-M321 WeakPolarHBondContact O-CB 3.29Å; A317-M321 VanDerWaalsContact O-CG 3.26Å; A317-M321 WeakPolarHBondContact O-CG 3.49Å; A317-M321 PolarHBondContact O-N 2.8Å; C318-M321 PolarHBondContact O-N 2.82Å; M321-R324 CarbonylContact O-C 3.49Å; M321-R324 PolarHBondContact O-N 2.93Å; M321-Y325 WeakPolarHBondContact O-CA 3.4Å; M321-Y325 WeakPolarHBondContact O-CB 3.48Å; M321-Y325 PolarHBondContact O-N 3.45Å
322Y78.4Confident73.3Confident139 Ų139112.6 Ų112.655%0.54554%0.542SS..Hα-helixtrans-64.2-44.5174.6-178.7-103.1000111.1C318 Y325 R326C318-Y322 WeakPolarHBondContact O-CB 3.32Å; C318-Y322 PolarHBondContact O-N 2.85Å; Y322-Y325 PolarHBondContact O-N 3.42Å; Y322-R326 WeakPolarHBondContact O-CB 3.34Å; Y322-R326 PolarHBondContact O-N 3.05Å
323S71.1Confident72.3Confident37 Ų37119.8 Ų119.826%0.25956%0.564SS.*Hα-helixtrans-70-36.6172.961.40000112.5I319 R320 R327I319-S323 WeakPolarHBondContact O-CB 3.15Å; I319-S323 PolarHBondContact O-N 3.28Å; I319-S323 PolarHBondContact O-OG 2.88Å; R320-S323 VanDerWaalsContact CA-OG 3.3Å; R320-S323 WeakPolarHBondContact CA-OG 3.27Å; R320-S323 PolarHBondContact O-OG 3.37Å; R320-S323 VanDerWaalsContact O-OG 3.14Å; S323-R327 WeakPolarHBondContact O-CA 3.4Å; S323-R327 WeakPolarHBondContact O-CB 3.49Å; S323-R327 WeakPolarHBondContact O-CG 3.37Å; S323-R327 PolarHBondContact O-N 3.13Å
324R63.5Low71.6Confident194 Ų194123 Ų12373%0.73257%0.574SS**Hα-helixtrans-71.8-27.8171.8-95.9-174.7162.9155.4-3.2112.9R320 M321 R327 A328R320-R324 WeakPolarHBondContact O-CA 3.37Å; R320-R324 WeakPolarHBondContact O-CB 3.44Å; R320-R324 WeakPolarHBondContact O-CG 3.41Å; R320-R324 PolarHBondContact O-N 2.89Å; M321-R324 CarbonylContact O-C 3.49Å; M321-R324 PolarHBondContact O-N 2.93Å; R324-R327 CarbonylContact O-C 3.56Å; R324-R327 VanDerWaalsContact O-C 3.31Å; R324-A328 WeakPolarHBondContact O-CA 3.44Å; R324-A328 WeakPolarHBondContact O-CB 3.11Å; R324-A328 PolarHBondContact O-N 3.3Å
325Y65.3Low70.7Confident196 Ų196123.5 Ų123.577%0.76957%0.574SS**Hα-helixtrans-75.4-42177.3179.7-98.7000108.9M321 Y322M321-Y325 WeakPolarHBondContact O-CA 3.4Å; M321-Y325 WeakPolarHBondContact O-CB 3.48Å; M321-Y325 PolarHBondContact O-N 3.45Å; Y322-Y325 PolarHBondContact O-N 3.42Å
326R59.7Low69.8Low192 Ų192122.6 Ų122.673%0.72557%0.566SS**Hα-helixtrans-75.1-23.8171.4-78.2-170158.7-164.3-3.2114.5Y322Y322-R326 WeakPolarHBondContact O-CB 3.34Å; Y322-R326 PolarHBondContact O-N 3.05Å
327R53.8Low69.2Low198 Ų198122.9 Ų122.975%0.74758%0.58SS**THydrogen-bonded Turntrans-110.520.6174.5-59.1175.8-179.21760.7112.1S323 R324 R329S323-R327 WeakPolarHBondContact O-CA 3.4Å; S323-R327 WeakPolarHBondContact O-CB 3.49Å; S323-R327 WeakPolarHBondContact O-CG 3.37Å; S323-R327 PolarHBondContact O-N 3.13Å; R324-R327 CarbonylContact O-C 3.56Å; R324-R327 VanDerWaalsContact O-C 3.31Å; R327-R329 PolarHBondContact O-N 2.9Å
328A48.1Very low69Low67 Ų67132.1 Ų132.155%0.55461%0.606SS**  trans-69.986.1179.600000105.5R324 P330R324-A328 WeakPolarHBondContact O-CA 3.44Å; R324-A328 WeakPolarHBondContact O-CB 3.11Å; R324-A328 PolarHBondContact O-N 3.3Å; A328-P330 WeakPolarHBondContact O-CD 3.03Å
329R52.6Low68.3Low216 Ų216132.1 Ų132.182%0.81560%0.601SS**  trans-64.7124.2166.7-66.6-172.3179.2-162.8-0.8104.4R327R327-R329 PolarHBondContact O-N 2.9Å
330P59.5Low67.9Low97 Ų97129.1 Ų129.163%0.6359%0.588SS**  trans-51150.7168.520.3-29.1000108.3A328 T332A328-P330 WeakPolarHBondContact O-CD 3.03Å; P330-T332 HydrophobicContact CG-CG2 4.12Å; P330-T332 WeakPolarHBondContact O-CG2 3.42Å; P330-T332 PolarHBondContact O-N 3.04Å
331L61.9Low67.7Low110 Ų110126.7 Ų126.758%0.57658%0.579SS**  trans-6286.9173.4-171.376.3000107.7L336 L343L331-L336 HydrophobicContact CD1-CD2 4.2Å; L331-L336 HydrophobicContact CD1-CG 4.3Å; L331-L336 HydrophobicContact CD2-CD1 3.95Å; L331-L336 HydrophobicContact CD2-CD2 4.29Å; L331-L336 HydrophobicContact CD2-CG 4.35Å; L331-L336 HydrophobicContact CG-CD1 4.05Å; L331-L336 HydrophobicContact CG-CD2 4.35Å; L331-L336 HydrophobicContact CG-CG 4.11Å; L331-L343 HydrophobicContact CD1-CD1 3.31Å
332T68.6Low67.4Low46 Ų46123.2 Ų123.228%0.28257%0.568SS.*  trans-79.6149.7-176.1550000109.3P330 E334 V335 L336P330-T332 HydrophobicContact CG-CG2 4.12Å; P330-T332 WeakPolarHBondContact O-CG2 3.42Å; P330-T332 PolarHBondContact O-N 3.04Å; T332-E334 PolarHBondContact O-N 3.14Å; T332-E334 VanDerWaalsContact O-N 3.08Å; T332-V335 PolarHBondContact O-N 2.94Å; T332-V335 WeakPolarHBondContact OG1-CG2 3.39Å; T332-L336 PolarHBondContact O-N 3.49Å
333R69.2Low67.1Low228 Ų228119.7 Ų119.786%0.8656%0.559SS**Hα-helixtrans-50.9-33.2174.5-173.1177.8178.5-178.6-0.5112.1A337R333-A337 VanDerWaalsContact O-CB 3.25Å; R333-A337 WeakPolarHBondContact O-CB 2.93Å; R333-A337 PolarHBondContact O-N 3.28Å
334E70.8Confident66.9Low152 Ų152122.8 Ų122.871%0.7156%0.564SS**Hα-helixtrans-66.3-40.1178.8-66.2157.9-177.800113.4T332 A337 R338T332-E334 PolarHBondContact O-N 3.14Å; T332-E334 VanDerWaalsContact O-N 3.08Å; E334-A337 PolarHBondContact O-N 3.03Å; E334-R338 WeakPolarHBondContact O-CB 2.97Å; E334-R338 PolarHBondContact O-N 3.24Å
335V69Low67.3Low63 Ų63116.4 Ų116.438%0.38256%0.559SS.*Hα-helixtrans-69.5-41.8178.8173.80000110.4T332 A337 R338 D339T332-V335 PolarHBondContact O-N 2.94Å; T332-V335 WeakPolarHBondContact OG1-CG2 3.39Å; V335-A337 VanDerWaalsContact C-N 3.33Å; V335-R338 PolarHBondContact O-N 2.99Å; V335-D339 PolarHBondContact O-N 3.49Å
336L73.4Confident67.9Low56 Ų56108.8 Ų108.829%0.29353%0.533SS..Hα-helixtrans-65.5-35.8173.9-71.2172.6000112.3L331 T332 R338 P340 L343 V346L331-L336 HydrophobicContact CD1-CD2 4.2Å; L331-L336 HydrophobicContact CD1-CG 4.3Å; L331-L336 HydrophobicContact CD2-CD1 3.95Å; L331-L336 HydrophobicContact CD2-CD2 4.29Å; L331-L336 HydrophobicContact CD2-CG 4.35Å; L331-L336 HydrophobicContact CG-CD1 4.05Å; L331-L336 HydrophobicContact CG-CD2 4.35Å; L331-L336 HydrophobicContact CG-CG 4.11Å; T332-L336 PolarHBondContact O-N 3.49Å; L336-R338 VanDerWaalsContact C-N 3.34Å; L336-P340 VanDerWaalsContact O-CB 3.31Å; L336-P340 WeakPolarHBondContact O-CB 3.22Å; L336-P340 VanDerWaalsContact O-CD 3.28Å; L336-P340 WeakPolarHBondContact O-CD 3.18Å; L336-L343 HydrophobicContact CD2-CD1 4.35Å; L336-V346 HydrophobicContact CD2-CB 4.4Å; L336-V346 HydrophobicContact CD2-CG1 3.88Å; L336-V346 HydrophobicContact CD2-CG2 3.75Å
337A73.9Confident68.9Low82 Ų82102.1 Ų102.168%0.67851%0.508SS*.Hα-helixtrans-71.3-29.2177.600000112.8R333 E334 V335R333-A337 VanDerWaalsContact O-CB 3.25Å; R333-A337 WeakPolarHBondContact O-CB 2.93Å; R333-A337 PolarHBondContact O-N 3.28Å; E334-A337 PolarHBondContact O-N 3.03Å; V335-A337 VanDerWaalsContact C-N 3.33Å
338R80.7Confident69.8Low233 Ų23396.1 Ų96.188%0.87949%0.487SS*.Hα-helixtrans-82.4-49.3-176.7-174179.5176.6-176.1-0.1113.5E334 V335 L336E334-R338 WeakPolarHBondContact O-CB 2.97Å; E334-R338 PolarHBondContact O-N 3.24Å; V335-R338 PolarHBondContact O-N 2.99Å; L336-R338 VanDerWaalsContact C-N 3.34Å
339D74.8Confident71.3Confident81 Ų8198.5 Ų98.543%0.43349%0.49SS..  trans-151.281.8179.4-176.6-0000110.5V335 Y341 S342V335-D339 PolarHBondContact O-N 3.49Å; D339-Y341 PolarHBondContact O-N 3.26Å; D339-Y341 PolarHBondContact OD1-N 2.89Å; D339-S342 PolarHBondContact O-N 3.09Å; D339-S342 PolarHBondContact O-OG 3.39Å; D339-S342 PolarHBondContact OD1-N 3.1Å; D339-S342 VanDerWaalsContact OD1-N 3.08Å; D339-S342 WeakPolarHBondContact OD2-CB 3.39Å
340P74.4Confident72.7Confident35 Ų3590.3 Ų90.323%0.22746%0.462CS..G310 helixtrans-69.2-21.6-179.526.3-30.9000112.6L336 S342 V346 I350L336-P340 VanDerWaalsContact O-CB 3.31Å; L336-P340 WeakPolarHBondContact O-CB 3.22Å; L336-P340 VanDerWaalsContact O-CD 3.28Å; L336-P340 WeakPolarHBondContact O-CD 3.18Å; P340-S342 VanDerWaalsContact C-N 3.34Å; P340-V346 HydrophobicContact CB-CG1 4.12Å; P340-V346 WeakPolarHBondContact O-CG1 3.17Å; P340-I350 HydrophobicContact CB-CD1 3.64Å; P340-I350 HydrophobicContact CG-CD1 4.17Å
341Y75Confident73.6Confident105 Ų10586.5 Ų86.541%0.41244%0.436SS..G310 helixtrans-78.9-17-179.6-76.4-92.4000112.4D339 L343 R347 I350D339-Y341 PolarHBondContact O-N 3.26Å; D339-Y341 PolarHBondContact OD1-N 2.89Å; Y341-L343 PolarHBondContact O-N 3.41Å; Y341-R347 HydrophobicContact CD1-CG 3.81Å; Y341-R347 HydrophobicContact CE1-CG 4.39Å; Y341-R347 PolarHBondContact O-NE 3.01Å; Y341-R347 PolarHBondContact O-NH2 3.18Å; Y341-I350 HydrophobicContact CE1-CG2 4.24Å; Y341-I350 HydrophobicContact CE2-CG2 4.38Å; Y341-I350 VanDerWaalsContact OH-CG2 3.29Å; Y341-I350 WeakPolarHBondContact OH-CG2 3.3Å
342S71.7Confident74.3Confident61 Ų6181.8 Ų81.843%0.42742%0.415SS..G310 helixtrans-60.5-28.7175.464.60000114.3D339 P340D339-S342 PolarHBondContact O-N 3.09Å; D339-S342 PolarHBondContact O-OG 3.39Å; D339-S342 PolarHBondContact OD1-N 3.1Å; D339-S342 VanDerWaalsContact OD1-N 3.08Å; D339-S342 WeakPolarHBondContact OD2-CB 3.39Å; P340-S342 VanDerWaalsContact C-N 3.34Å
343L72.3Confident74.8Confident65 Ų6582 Ų8234%0.3442%0.418SS..SBendtrans-98.8116.9-176.2-66.6172.2000111.1L331 L336 Y341 G345 V346 R347L331-L343 HydrophobicContact CD1-CD1 3.31Å; L336-L343 HydrophobicContact CD2-CD1 4.35Å; Y341-L343 PolarHBondContact O-N 3.41Å; L343-G345 VanDerWaalsContact C-N 3.29Å; L343-G345 PolarHBondContact O-N 2.74Å; L343-G345 VanDerWaalsContact O-N 3.15Å; L343-V346 HydrophobicContact CB-CB 4.03Å; L343-V346 HydrophobicContact CB-CG2 3.87Å; L343-V346 HydrophobicContact CD1-CG2 4.02Å; L343-V346 PolarHBondContact O-N 3.44Å; L343-R347 WeakPolarHBondContact O-CB 3.45Å; L343-R347 PolarHBondContact O-N 2.91Å
344R66.6Low75.3Confident101 Ų10172.9 Ų72.938%0.38139%0.391SS..Hα-helixtrans-51.2-43-176.9-171.1178.4-175.4-162.4-2.7113.9D259 K348D259-R344 IonicContact OD2-CZ 2.66Å; D259-R344 IonicContact OD2-NH1 3.88Å; D259-R344 PolarHBondContact OD2-NH1 3.04Å; R344-K348 WeakPolarHBondContact O-CG 3.4Å; R344-K348 PolarHBondContact O-N 3.49Å; R344-K348 VanDerWaalsContact O-N 3.1Å
345G71.6Confident75.1Confident61 Ų6167.8 Ų67.863%0.62937%0.366SS*.Hα-helixtrans-67.6-40.7179.700000113.2L343 L349L343-G345 VanDerWaalsContact C-N 3.29Å; L343-G345 PolarHBondContact O-N 2.74Å; L343-G345 VanDerWaalsContact O-N 3.15Å; G345-L349 PolarHBondContact O-N 2.97Å
346V79.2Confident75.5Confident36 Ų3673.3 Ų73.322%0.21838%0.38CS..Hα-helixtrans-71.3-45178.8-179.80000110.2L336 P340 L343 K348 L349 I350L336-V346 HydrophobicContact CD2-CB 4.4Å; L336-V346 HydrophobicContact CD2-CG1 3.88Å; L336-V346 HydrophobicContact CD2-CG2 3.75Å; P340-V346 HydrophobicContact CB-CG1 4.12Å; P340-V346 WeakPolarHBondContact O-CG1 3.17Å; L343-V346 HydrophobicContact CB-CB 4.03Å; L343-V346 HydrophobicContact CB-CG2 3.87Å; L343-V346 HydrophobicContact CD1-CG2 4.02Å; L343-V346 PolarHBondContact O-N 3.44Å; V346-K348 PolarHBondContact O-N 2.65Å; V346-L349 WeakPolarHBondContact O-CB 3.24Å; V346-L349 PolarHBondContact O-N 3.35Å; V346-L349 VanDerWaalsContact O-N 3.11Å; V346-I350 HydrophobicContact CG1-CD1 3.76Å; V346-I350 HydrophobicContact CG1-CG1 4.33Å; V346-I350 WeakPolarHBondContact O-CG1 3.04Å; V346-I350 PolarHBondContact O-N 2.71Å
347R79.9Confident75.6Confident51 Ų5175.5 Ų75.519%0.19239%0.391CS..Hα-helixtrans-51.6-53.6173.4-176.6-174.9-44.2154.64.8111.8E256 Y341 L343 L349 I350 D351E256-R347 IonicContact OE1-NH1 2.73Å; E256-R347 PolarHBondContact OE1-NH1 2.66Å; Y341-R347 HydrophobicContact CD1-CG 3.81Å; Y341-R347 HydrophobicContact CE1-CG 4.39Å; Y341-R347 PolarHBondContact O-NE 3.01Å; Y341-R347 PolarHBondContact O-NH2 3.18Å; L343-R347 WeakPolarHBondContact O-CB 3.45Å; L343-R347 PolarHBondContact O-N 2.91Å; R347-L349 PolarHBondContact O-N 2.79Å; R347-I350 PolarHBondContact O-N 3.35Å; R347-I350 VanDerWaalsContact O-N 3.13Å; R347-D351 WeakPolarHBondContact O-CB 3.3Å; R347-D351 PolarHBondContact O-N 2.8Å
348K72.6Confident75.4Confident72 Ų7278.1 Ų78.131%0.31339%0.385SS..Hα-helixtrans-57.1-38.4178.3-77.8-173.3173.2-1540112.9V123 T124 R344 V346 G352V123-K348 HydrophobicContact CG1-CG 4.48Å; T124-K348 VanDerWaalsContact OG1-CE 3.26Å; T124-K348 WeakPolarHBondContact OG1-CE 3.31Å; T124-K348 PolarHBondContact OG1-NZ 3.25Å; R344-K348 WeakPolarHBondContact O-CG 3.4Å; R344-K348 PolarHBondContact O-N 3.49Å; R344-K348 VanDerWaalsContact O-N 3.1Å; V346-K348 PolarHBondContact O-N 2.65Å; K348-G352 PolarHBondContact O-N 3.14Å
349L80.2Confident74.5Confident117 Ų11767.7 Ų67.761%0.61335%0.35SS*.Hα-helixtrans-69.4-43.6178.4-168.3150.4000111.1G345 V346 R347 G352 C353G345-L349 PolarHBondContact O-N 2.97Å; V346-L349 WeakPolarHBondContact O-CB 3.24Å; V346-L349 PolarHBondContact O-N 3.35Å; V346-L349 VanDerWaalsContact O-N 3.11Å; R347-L349 PolarHBondContact O-N 2.79Å; L349-G352 PolarHBondContact O-N 2.66Å; L349-C353 WeakPolarHBondContact O-CB 3.4Å; L349-C353 PolarHBondContact O-N 2.81Å; L349-C353 PolarHBondContact O-SG 3.08Å
350I82.4Confident73.8Confident45 Ų4570.8 Ų70.823%0.23136%0.361CS..Hα-helixtrans-61.1-49.6176-68.1169.7000110.4P340 Y341 V346 R347 G352 C353 A354P340-I350 HydrophobicContact CB-CD1 3.64Å; P340-I350 HydrophobicContact CG-CD1 4.17Å; Y341-I350 HydrophobicContact CE1-CG2 4.24Å; Y341-I350 HydrophobicContact CE2-CG2 4.38Å; Y341-I350 VanDerWaalsContact OH-CG2 3.29Å; Y341-I350 WeakPolarHBondContact OH-CG2 3.3Å; V346-I350 HydrophobicContact CG1-CD1 3.76Å; V346-I350 HydrophobicContact CG1-CG1 4.33Å; V346-I350 WeakPolarHBondContact O-CG1 3.04Å; V346-I350 PolarHBondContact O-N 2.71Å; R347-I350 PolarHBondContact O-N 3.35Å; R347-I350 VanDerWaalsContact O-N 3.13Å; I350-G352 VanDerWaalsContact C-N 3.33Å; I350-G352 PolarHBondContact O-N 3.41Å; I350-C353 PolarHBondContact O-N 2.84Å; I350-A354 WeakPolarHBondContact O-CB 3.18Å; I350-A354 PolarHBondContact O-N 2.67Å
351D76.9Confident72.8Confident16 Ų1678.3 Ų78.39%0.08639%0.385CS..Hα-helixtrans-60.9-42.9-179.9-64.1-16.5000111.4V123 R347 F355 F374V123-D351 HydrophobicContact CG1-CB 4.34Å; V123-D351 HydrophobicContact CG2-CB 3.79Å; R347-D351 WeakPolarHBondContact O-CB 3.3Å; R347-D351 PolarHBondContact O-N 2.8Å; D351-F355 PolarHBondContact O-N 2.79Å; D351-F355 VanDerWaalsContact O-N 3.1Å; D351-F374 HydrophobicContact CB-CE1 3.94Å; D351-F374 HydrophobicContact CB-CZ 4.23Å; D351-F374 VanDerWaalsContact CG-CE1 3.49Å; D351-F374 WeakPolarHBondContact OD1-CE1 3.22Å
352G76.8Confident71.9Confident12 Ų1274.7 Ų74.712%0.12437%0.374CS..Hα-helixtrans-64.4-41.7176.200000112.9K348 L349 I350 R356K348-G352 PolarHBondContact O-N 3.14Å; L349-G352 PolarHBondContact O-N 2.66Å; I350-G352 VanDerWaalsContact C-N 3.33Å; I350-G352 PolarHBondContact O-N 3.41Å; G352-R356 WeakPolarHBondContact O-CG 3.2Å; G352-R356 PolarHBondContact O-N 3.34Å; G352-R356 VanDerWaalsContact O-N 3.13Å
353C80.4Confident70.9Confident51 Ų5180.4 Ų80.435%0.34539%0.391SS..Hα-helixtrans-68.4-43.7176.4-74.50000112.3L349 I350 F355 R356 I357L349-C353 WeakPolarHBondContact O-CB 3.4Å; L349-C353 PolarHBondContact O-N 2.81Å; L349-C353 PolarHBondContact O-SG 3.08Å; I350-C353 PolarHBondContact O-N 2.84Å; C353-F355 VanDerWaalsContact C-N 3.26Å; C353-F355 PolarHBondContact O-N 2.72Å; C353-R356 PolarHBondContact O-N 3.28Å; C353-R356 VanDerWaalsContact O-N 3.14Å; C353-I357 WeakPolarHBondContact O-CG1 3.46Å; C353-I357 PolarHBondContact O-N 3.27Å; C353-I357 VanDerWaalsContact O-N 3.08Å
354A78.1Confident69.9Low36 Ų3685.4 Ų85.430%0.29841%0.41SS..Hα-helixtrans-57.7-42177.300000110.7I350 I357 Y358I350-A354 WeakPolarHBondContact O-CB 3.18Å; I350-A354 PolarHBondContact O-N 2.67Å; A354-I357 PolarHBondContact O-N 3.49Å; A354-Y358 WeakPolarHBondContact O-CB 3.22Å; A354-Y358 VanDerWaalsContact O-CD2 3.28Å; A354-Y358 WeakPolarHBondContact O-CD2 3.49Å; A354-Y358 PolarHBondContact O-N 3.34Å
355F67.8Low69.1Low44 Ų4482.6 Ų82.619%0.19341%0.412CS..Hα-helixtrans-67.5-40.6174.9-175.6-100.3000113.3T120 D351 C353 I357 G359 V362 L373T120-F355 HydrophobicContact CG2-CD1 3.58Å; T120-F355 HydrophobicContact CG2-CD2 3.34Å; T120-F355 HydrophobicContact CG2-CE1 3.44Å; T120-F355 VanDerWaalsContact CG2-CE1 3.44Å; T120-F355 HydrophobicContact CG2-CE2 3.22Å; T120-F355 HydrophobicContact CG2-CG 3.52Å; T120-F355 HydrophobicContact CG2-CZ 3.26Å; D351-F355 PolarHBondContact O-N 2.79Å; D351-F355 VanDerWaalsContact O-N 3.1Å; C353-F355 VanDerWaalsContact C-N 3.26Å; C353-F355 PolarHBondContact O-N 2.72Å; F355-I357 PolarHBondContact O-N 2.9Å; F355-G359 WeakPolarHBondContact O-CA 3.32Å; F355-G359 PolarHBondContact O-N 3.19Å; F355-V362 HydrophobicContact CE2-CG2 4.33Å; F355-L373 HydrophobicContact CD2-CD1 4.05Å
356R75.9Confident67.7Low180 Ų18087.3 Ų87.368%0.67942%0.418SS*.Hα-helixtrans-60.2-36.2176.8-73.4177.7-172.7169.90.5112.7G352 C353G352-R356 WeakPolarHBondContact O-CG 3.2Å; G352-R356 PolarHBondContact O-N 3.34Å; G352-R356 VanDerWaalsContact O-N 3.13Å; C353-R356 PolarHBondContact O-N 3.28Å; C353-R356 VanDerWaalsContact O-N 3.14Å
357I75.4Confident66Low102 Ų10294.5 Ų94.552%0.52345%0.45SS..Hα-helixtrans-80.6-50.9179.9-62.8173.2000110.6C353 A354 F355 H360C353-I357 WeakPolarHBondContact O-CG1 3.46Å; C353-I357 PolarHBondContact O-N 3.27Å; C353-I357 VanDerWaalsContact O-N 3.08Å; A354-I357 PolarHBondContact O-N 3.49Å; F355-I357 PolarHBondContact O-N 2.9Å; I357-H360 PolarHBondContact O-CE1 3.39Å; I357-H360 PolarHBondContact O-ND1 3.01Å
358Y71.3Confident64.8Low136 Ų13694.4 Ų94.453%0.53345%0.451SS..Hα-helixtrans-102.10.4-169.7-57.4-68.4000114.3A354 H360 W361A354-Y358 WeakPolarHBondContact O-CB 3.22Å; A354-Y358 VanDerWaalsContact O-CD2 3.28Å; A354-Y358 WeakPolarHBondContact O-CD2 3.49Å; A354-Y358 PolarHBondContact O-N 3.34Å; Y358-H360 PolarHBondContact O-N 2.97Å; Y358-H360 VanDerWaalsContact O-N 3.13Å; Y358-W361 WeakPolarHBondContact O-CB 3.44Å; Y358-W361 PolarHBondContact O-N 3.37Å
359G60.3Low64Low15 Ų1592.5 Ų92.516%0.15545%0.445CS..G310 helixtrans-58.8-29.4-177.500000113F355 W361 V362F355-G359 WeakPolarHBondContact O-CA 3.32Å; F355-G359 PolarHBondContact O-N 3.19Å; G359-W361 PolarHBondContact O-N 3.3Å; G359-V362 VanDerWaalsContact O-CB 3.3Å; G359-V362 WeakPolarHBondContact O-CB 3.45Å; G359-V362 PolarHBondContact O-N 3Å
360H60.9Low62.8Low145 Ų14587.5 Ų87.567%0.67142%0.418SS*.G310 helixtrans-66.8-20.317467.5-82000114.1I357 Y358 V362I357-H360 PolarHBondContact O-CE1 3.39Å; I357-H360 PolarHBondContact O-ND1 3.01Å; Y358-H360 PolarHBondContact O-N 2.97Å; Y358-H360 VanDerWaalsContact O-N 3.13Å; H360-V362 VanDerWaalsContact C-N 3.33Å
361W54Low61.5Low193 Ų19386 Ų8673%0.73141%0.412SS*.G310 helixtrans-83.4-12.7172.9-67.371.7000112.5Y358 G359 K363Y358-W361 WeakPolarHBondContact O-CB 3.44Å; Y358-W361 PolarHBondContact O-N 3.37Å; G359-W361 PolarHBondContact O-N 3.3Å; W361-K363 VanDerWaalsContact C-N 3.31Å; W361-K363 PolarHBondContact O-N 3.25Å
362V55.8Low60.7Low29 Ų2988.2 Ų88.218%0.17643%0.432CS..SBendtrans-80.183.5172.1-169.80000107.3F355 G359 H360 K364 Q368 L373F355-V362 HydrophobicContact CE2-CG2 4.33Å; G359-V362 VanDerWaalsContact O-CB 3.3Å; G359-V362 WeakPolarHBondContact O-CB 3.45Å; G359-V362 PolarHBondContact O-N 3Å; H360-V362 VanDerWaalsContact C-N 3.33Å; V362-K364 PolarHBondContact O-N 2.97Å; V362-Q368 PolarHBondContact O-NE2 2.69Å; V362-L373 HydrophobicContact CG2-CD1 3.91Å; V362-L373 HydrophobicContact CG2-CD2 3.66Å; V362-L373 HydrophobicContact CG2-CG 3.92Å
363K50Low59.5Low181 Ų18190.6 Ų90.679%0.78744%0.442SS*.  trans-51119.2-176.6-67.4-173.4176.6-173.80111.9W361 G365 Q368W361-K363 VanDerWaalsContact C-N 3.31Å; W361-K363 PolarHBondContact O-N 3.25Å; K363-G365 PolarHBondContact O-N 2.61Å; K363-G365 VanDerWaalsContact O-N 3.15Å; K363-Q368 WeakPolarHBondContact O-CG 3.5Å; K363-Q368 PolarHBondContact O-NE2 2.73Å
364K52.1Low58.1Low171 Ų17191.9 Ų91.974%0.74344%0.442SS*.  trans-62.896.5175.5-65.1-167.3175-1530112V362 Q368V362-K364 PolarHBondContact O-N 2.97Å; K364-Q368 VanDerWaalsContact CA-CD 3.45Å
365G49.3Very low57Low41 Ų4194 Ų9442%0.42345%0.445SS..SBendtrans-177169.9-177.800000114.4K363 Q367 Q368K363-G365 PolarHBondContact O-N 2.61Å; K363-G365 VanDerWaalsContact O-N 3.15Å; G365-Q367 PolarHBondContact O-N 2.66Å; G365-Q368 VanDerWaalsContact N-OE1 3.15Å; G365-Q368 VanDerWaalsContact O-CB 3.32Å; G365-Q368 WeakPolarHBondContact O-CB 3.15Å; G365-Q368 VanDerWaalsContact O-CG 3.24Å; G365-Q368 WeakPolarHBondContact O-CG 3.01Å; G365-Q368 PolarHBondContact O-N 2.78Å
366E42Very low55.8Low161 Ų16199.4 Ų99.475%0.75248%0.476SS*.THydrogen-bonded Turntrans-57.4-13.5-169.7-66.4178.8161.200116.4
367Q43.6Very low54.2Low187 Ų18796.7 Ų96.787%0.87448%0.48SS*.THydrogen-bonded Turntrans-94.99175.6-64.7-171.5-6.300113.7G365 N369G365-Q367 PolarHBondContact O-N 2.66Å; Q367-N369 PolarHBondContact O-N 2.7Å
368Q55.8Low52.4Low48 Ų4895.9 Ų95.922%0.22449%0.489CS..  trans-71.3129.5-177.8-81.7-179.1-50.100112.7V362 K363 K364 G365V362-Q368 PolarHBondContact O-NE2 2.69Å; K363-Q368 WeakPolarHBondContact O-CG 3.5Å; K363-Q368 PolarHBondContact O-NE2 2.73Å; K364-Q368 VanDerWaalsContact CA-CD 3.45Å; G365-Q368 VanDerWaalsContact N-OE1 3.15Å; G365-Q368 VanDerWaalsContact O-CB 3.32Å; G365-Q368 WeakPolarHBondContact O-CB 3.15Å; G365-Q368 VanDerWaalsContact O-CG 3.24Å; G365-Q368 WeakPolarHBondContact O-CG 3.01Å; G365-Q368 PolarHBondContact O-N 2.78Å
369N55.1Low51.2Low33 Ų3396.6 Ų96.618%0.17649%0.494CS..  trans-144.9124.2162.8-160.5-47.9000109P231 Q367 A371 A372P231-N369 VanDerWaalsContact CD-OD1 3.29Å; P231-N369 WeakPolarHBondContact CD-OD1 3.5Å; P231-N369 WeakPolarHBondContact CG-ND2 3.45Å; P231-N369 WeakPolarHBondContact CG-OD1 3.36Å; Q367-N369 PolarHBondContact O-N 2.7Å; N369-A371 PolarHBondContact O-N 3.34Å; N369-A371 WeakPolarHBondContact OD1-CB 3.36Å; N369-A371 PolarHBondContact OD1-N 3.08Å; N369-A371 VanDerWaalsContact OD1-N 3.14Å; N369-A372 VanDerWaalsContact O-CB 3.29Å; N369-A372 WeakPolarHBondContact O-CB 3.28Å; N369-A372 PolarHBondContact O-N 3.38Å
370R54.7Low50.1Low12 Ų12103 Ų1035%0.04552%0.523CS..G310 helixtrans-50.6-29.3177174.1173.7165.697.410.4112.8T120 V123 G229 A372 L373 F374T120-R370 PolarHBondContact O-NH1 3.22Å; V123-R370 VanDerWaalsContact CA-NH2 3.33Å; G229-R370 WeakPolarHBondContact O-CD 3.25Å; G229-R370 PolarHBondContact O-NE 3.04Å; R370-A372 PolarHBondContact O-N 2.9Å; R370-A372 VanDerWaalsContact O-N 3.13Å; R370-L373 HydrophobicContact CG-CD1 4.5Å; R370-L373 WeakPolarHBondContact O-CB 3.45Å; R370-L373 PolarHBondContact O-N 3.03Å; R370-F374 HydrophobicContact CG-CD2 4.45Å; R370-F374 HydrophobicContact CG-CE2 3.77Å; R370-F374 WeakPolarHBondContact O-CD2 3.23Å
371A55.7Low49.1Very low13 Ų13100.7 Ų100.711%0.10752%0.519CS..G310 helixtrans-58.8-2217500000114.1W234 N369 L373 F374W234-A371 HydrophobicContact CD2-CB 3.55Å; W234-A371 VanDerWaalsContact CE2-CB 3.46Å; W234-A371 HydrophobicContact CE3-CB 4.03Å; W234-A371 HydrophobicContact CG-CB 3.83Å; W234-A371 HydrophobicContact CH2-CB 3.91Å; W234-A371 WeakPolarHBondContact CH2-O 3.42Å; W234-A371 HydrophobicContact CZ2-CB 3.67Å; W234-A371 HydrophobicContact CZ3-CB 4.2Å; N369-A371 PolarHBondContact O-N 3.34Å; N369-A371 WeakPolarHBondContact OD1-CB 3.36Å; N369-A371 PolarHBondContact OD1-N 3.08Å; N369-A371 VanDerWaalsContact OD1-N 3.14Å; A371-L373 VanDerWaalsContact C-N 3.28Å; A371-L373 PolarHBondContact O-N 3.37Å; A371-F374 PolarHBondContact O-N 3.34Å
372A59Low48.2Very low62 Ų6299.4 Ų99.451%0.51253%0.526SS..G310 helixtrans-65.9-28.1174.300000113.3N369 R370 F374N369-A372 VanDerWaalsContact O-CB 3.29Å; N369-A372 WeakPolarHBondContact O-CB 3.28Å; N369-A372 PolarHBondContact O-N 3.38Å; R370-A372 PolarHBondContact O-N 2.9Å; R370-A372 VanDerWaalsContact O-N 3.13Å; A372-F374 VanDerWaalsContact C-N 3.28Å; A372-F374 PolarHBondContact O-N 2.72Å
373L52.2Low47.4Very low63 Ų63105.5 Ų105.533%0.3356%0.557SS.*G310 helixtrans-69.1-25.5176.6-78154.5000112.9F355 V362 R370 A371F355-L373 HydrophobicContact CD2-CD1 4.05Å; V362-L373 HydrophobicContact CG2-CD1 3.91Å; V362-L373 HydrophobicContact CG2-CD2 3.66Å; V362-L373 HydrophobicContact CG2-CG 3.92Å; R370-L373 HydrophobicContact CG-CD1 4.5Å; R370-L373 WeakPolarHBondContact O-CB 3.45Å; R370-L373 PolarHBondContact O-N 3.03Å; A371-L373 VanDerWaalsContact C-N 3.28Å; A371-L373 PolarHBondContact O-N 3.37Å
374F52.1Low47.1Very low78 Ų7899.4 Ų99.434%0.34255%0.545SS..G310 helixtrans-104.213.5-172.5-58-70.6000113.2D351 R370 A371 A372 N376D351-F374 HydrophobicContact CB-CE1 3.94Å; D351-F374 HydrophobicContact CB-CZ 4.23Å; D351-F374 VanDerWaalsContact CG-CE1 3.49Å; D351-F374 WeakPolarHBondContact OD1-CE1 3.22Å; R370-F374 HydrophobicContact CG-CD2 4.45Å; R370-F374 HydrophobicContact CG-CE2 3.77Å; R370-F374 WeakPolarHBondContact O-CD2 3.23Å; A371-F374 PolarHBondContact O-N 3.34Å; A372-F374 VanDerWaalsContact C-N 3.28Å; A372-F374 PolarHBondContact O-N 2.72Å; F374-N376 PolarHBondContact O-N 3.21Å
375Q55Low46.5Very low79 Ų7999.4 Ų99.437%0.36955%0.553SS.*  trans-76.8111.1171.7-71.5-171.1-19.500110.4W234 T377W234-Q375 HydrophobicContact CH2-CG 3.52Å; W234-Q375 HydrophobicContact CZ2-CG 4.32Å; W234-Q375 HydrophobicContact CZ3-CG 4.42Å; Q375-T377 PolarHBondContact O-N 3.37Å
376N42.3Very low46.1Very low159 Ų159106.5 Ų106.585%0.8557%0.574SS**  trans-81.312.7178.2-72.3-28.9000114.6F374F374-N376 PolarHBondContact O-N 3.21Å
377T42.5Very low46.3Very low123 Ų123106 Ų10676%0.75558%0.577SS**  trans-102.6107.9178.2-38.30000109.4Q375 K379Q375-T377 PolarHBondContact O-N 3.37Å; T377-K379 PolarHBondContact O-N 3.14Å
378A37.2Very low46.2Very low85 Ų85107 Ų10770%0.70258%0.579SS**  trans-56.9128.2171.700000109.5I380A378-I380 PolarHBondContact O-N 3.29Å
379K44.8Very low45.2Very low151 Ų151113.6 Ų113.666%0.65761%0.61SS**  trans-71.382.8162-73.1-179.6-178.1174.40107.4T377 V381T377-K379 PolarHBondContact O-N 3.14Å; K379-V381 VanDerWaalsContact C-N 3.3Å; K379-V381 PolarHBondContact O-N 2.93Å; K379-V381 VanDerWaalsContact O-N 3.14Å
380I38.9Very low44.6Very low149 Ų149122.1 Ų122.176%0.76466%0.663SS**  trans-71.1107.3150.6-65.7179.6000104.6A378 L382A378-I380 PolarHBondContact O-N 3.29Å; I380-L382 PolarHBondContact O-N 2.9Å
381V39.2Very low44Very low96 Ų96127.7 Ų127.758%0.58269%0.694SS**  trans-53.4104.1167.5174.80000107K379 L383K379-V381 VanDerWaalsContact C-N 3.3Å; K379-V381 PolarHBondContact O-N 2.93Å; K379-V381 VanDerWaalsContact O-N 3.14Å; V381-L383 HydrophobicContact CG1-CB 3.58Å; V381-L383 HydrophobicContact CG1-CD1 3.36Å; V381-L383 HydrophobicContact CG1-CG 3.29Å; V381-L383 PolarHBondContact O-N 3.02Å
382L34.6Very low43.4Very low167 Ų167133.7 Ų133.787%0.87473%0.725SS**  trans-67.271.7154.7-95.1150.6000106.8I380I380-L382 PolarHBondContact O-N 2.9Å
383L39.4Very low42.6Very low157 Ų157137.7 Ų137.782%0.82274%0.737SS**  trans-102.8102.8154.6-80.8168.6000104.5V381V381-L383 HydrophobicContact CG1-CB 3.58Å; V381-L383 HydrophobicContact CG1-CD1 3.36Å; V381-L383 HydrophobicContact CG1-CG 3.29Å; V381-L383 PolarHBondContact O-N 3.02Å
384G43.4Very low42Very low53 Ų53142.1 Ų142.155%0.54676%0.761SS.*SBendtrans141.6117.4178.500000110.1
385L39.7Very low41.4Very low171 Ų171146.1 Ų146.190%0.89579%0.787SS**SBendtrans96.642.4172.9-49.6173.3000117.5
386E40.3Very low40.5Very low189 Ų189150.5 Ų150.588%0.88382%0.815SS**SBendtrans-138.763.1145.5-76.1-171.8175.400108.3
387D46Very low40.3Very low150 Ų150149.9 Ų149.980%0.80281%0.813SS**SBendtrans-165.499.7159.4-92.8-30.1000104.5
388F41.9Very low40.2Very low210 Ų210152 Ų15292%0.92182%0.817SS**  trans133.485.5172.6-75.1-62.9000109.7
389E35.9Very low40.4Very low185 Ų185157.6 Ų157.686%0.86483%0.827SS**  -177.4105.8123.9-97.6172.3-17200108.9
390T40.8Very low40Very low213 Ų213158.2 Ų158.2100%1.30784%0.842SS**  trans33.30154.748.30000121

Retrieved 390 of 390 residues in 100 ms (Link to these results)

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