Q99PS2_RAT Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession Q99PS2, Species RAT (Rattus norvegicus, Rat), Gene Csnk1e, Length 506 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
1M46.9Very low83.1Confident236 Ų23695.2 Ų95.2100%1.16345%0.45SS*.  0128.10-85172.6-178.700107.8L3M1-L3 PolarHBondContact O-N 3.41Å
2E67Low84Confident111 Ų11190.6 Ų90.652%0.51945%0.447SS..  trans-62.8116.8166.4-72.9-172.3164.400107.7R4 R10E2-R4 PolarHBondContact O-N 2.75Å; E2-R10 VanDerWaalsContact CD-NE 3.31Å; E2-R10 IonicContact OE1-CZ 3.57Å; E2-R10 IonicContact OE1-NE 3.73Å; E2-R10 PolarHBondContact OE1-NE 3.39Å; E2-R10 IonicContact OE1-NH2 3.41Å; E2-R10 PolarHBondContact OE1-NH2 3.42Å; E2-R10 IonicContact OE2-CZ 3.35Å; E2-R10 IonicContact OE2-NE 3.78Å; E2-R10 PolarHBondContact OE2-NE 2.94Å; E2-R10 IonicContact OE2-NH2 2.99Å; E2-R10 PolarHBondContact OE2-NH2 3.04Å
3L77.4Confident84.7Confident115 Ų11596.2 Ų96.260%0.60246%0.46SS*.  trans-67.6124.2176.1-71.8169.3000108.7M1 L11M1-L3 PolarHBondContact O-N 3.41Å; L3-L11 HydrophobicContact CB-CB 4.02Å; L3-L11 HydrophobicContact CB-CD2 4.13Å; L3-L11 HydrophobicContact CD1-CD2 3.92Å; L3-L11 PolarHBondContact O-N 3.5Å
4R85.9Confident85.2Confident144 Ų14496.6 Ų96.654%0.54346%0.459SS..EExtended strand (participates in β ladder)trans-114.4141.5177.7-65.6-177.9-177.7178.10.4109.3E2 Y9 I29E2-R4 PolarHBondContact O-N 2.75Å; R4-Y9 CarbonylContact C-O 3.56Å; R4-Y9 VanDerWaalsContact CA-O 3.3Å; R4-Y9 WeakPolarHBondContact CA-O 3.38Å; R4-I29 HydrophobicContact CG-CD1 4.3Å
5V85.6Confident85.6Confident8 Ų894.7 Ų94.75%0.04845%0.451CS..EExtended strand (participates in β ladder)trans-118.3130179.8170.90000108.5N7 K8 Y9 W70 V79 V81V5-N7 PolarHBondContact O-N 3.37Å; V5-K8 PolarHBondContact O-N 3.5Å; V5-K8 VanDerWaalsContact O-N 3.1Å; V5-Y9 PolarHBondContact N-O 2.9Å; V5-Y9 PolarHBondContact O-N 2.79Å; V5-W70 HydrophobicContact CG1-CE3 3.85Å; V5-W70 HydrophobicContact CG1-CH2 4.08Å; V5-W70 HydrophobicContact CG1-CZ3 3.32Å; V5-V79 HydrophobicContact CB-CG1 4.41Å; V5-V79 HydrophobicContact CG1-CB 4.08Å; V5-V79 HydrophobicContact CG1-CG1 3.35Å; V5-V79 HydrophobicContact CG1-CG2 4.46Å; V5-V79 HydrophobicContact CG2-CG1 4.19Å; V5-V81 HydrophobicContact CG1-CG2 4.17Å
6G85Confident85.6Confident16 Ų1690.6 Ų90.617%0.16544%0.441CS..THydrogen-bonded Turntrans55.825.2177.900000114.1K8 E74G6-K8 WeakPolarHBondContact O-CG 3.37Å; G6-K8 PolarHBondContact O-N 2.82Å; G6-E74 WeakPolarHBondContact CA-OE2 3.37Å; G6-E74 PolarHBondContact N-OE2 3.2Å
7N87.9Confident85.4Confident137 Ų13788.9 Ų88.973%0.73344%0.441SS*.THydrogen-bonded Turntrans52.510.7-171.3-66.6-38.4000116.1V5V5-N7 PolarHBondContact O-N 3.37Å
8K93.4Very high84.7Confident127 Ų12785.6 Ų85.655%0.55243%0.433SS*.THydrogen-bonded Turntrans-123.8-23-172.6-72.7-179.9-178.7-176.10113.6V5 G6 I29V5-K8 PolarHBondContact O-N 3.5Å; V5-K8 VanDerWaalsContact O-N 3.1Å; G6-K8 WeakPolarHBondContact O-CG 3.37Å; G6-K8 PolarHBondContact O-N 2.82Å; K8-I29 WeakPolarHBondContact O-CG1 3.37Å; K8-I29 PolarHBondContact O-N 2.72Å
9Y96.2Very high83.6Confident16 Ų1682.9 Ų82.96%0.06342%0.423CS..EExtended strand (participates in β ladder)trans-121.8132.1-172.9-53.6-81.2000110.8R4 V5 A27 N28 V35 W70 V81R4-Y9 CarbonylContact C-O 3.56Å; R4-Y9 VanDerWaalsContact CA-O 3.3Å; R4-Y9 WeakPolarHBondContact CA-O 3.38Å; V5-Y9 PolarHBondContact N-O 2.9Å; V5-Y9 PolarHBondContact O-N 2.79Å; Y9-A27 CarbonylContact C-O 3.57Å; Y9-A27 WeakPolarHBondContact CA-O 3.41Å; Y9-N28 HydrophobicContact CD1-CB 4.02Å; Y9-N28 HydrophobicContact CE1-CB 3.93Å; Y9-V35 HydrophobicContact CD1-CG1 4.45Å; Y9-V35 HydrophobicContact CD1-CG2 4Å; Y9-V35 HydrophobicContact CE1-CG1 4.31Å; Y9-W70 HydrophobicContact CE2-CB 3.74Å; Y9-W70 HydrophobicContact CE2-CG 4.2Å; Y9-V81 HydrophobicContact CD1-CG1 3.88Å; Y9-V81 HydrophobicContact CD2-CG1 4.31Å; Y9-V81 HydrophobicContact CD2-CG2 3.88Å; Y9-V81 HydrophobicContact CE1-CG1 3.79Å; Y9-V81 HydrophobicContact CE2-CB 4.39Å; Y9-V81 HydrophobicContact CE2-CG1 4.24Å; Y9-V81 HydrophobicContact CE2-CG2 4.17Å; Y9-V81 HydrophobicContact CG-CG1 4.14Å; Y9-V81 HydrophobicContact CG-CG2 4.2Å
10R94.7Very high83.1Confident108 Ų10880.7 Ų80.741%0.40841%0.41SS..EExtended strand (participates in β ladder)trans-87.2128.5169.3-179.3-173.3-73.1149.4-8.2108.6E2 G26 A27 I29E2-R10 VanDerWaalsContact CD-NE 3.31Å; E2-R10 IonicContact OE1-CZ 3.57Å; E2-R10 IonicContact OE1-NE 3.73Å; E2-R10 PolarHBondContact OE1-NE 3.39Å; E2-R10 IonicContact OE1-NH2 3.41Å; E2-R10 PolarHBondContact OE1-NH2 3.42Å; E2-R10 IonicContact OE2-CZ 3.35Å; E2-R10 IonicContact OE2-NE 3.78Å; E2-R10 PolarHBondContact OE2-NE 2.94Å; E2-R10 IonicContact OE2-NH2 2.99Å; E2-R10 PolarHBondContact OE2-NH2 3.04Å; R10-G26 CarbonylContact O-C 3.6Å; R10-G26 WeakPolarHBondContact O-CA 3.32Å; R10-A27 PolarHBondContact N-O 2.84Å; R10-A27 PolarHBondContact O-N 3.11Å; R10-I29 HydrophobicContact CB-CG1 4.22Å
11L93.8Very high83Confident29 Ų2977.7 Ų77.715%0.15240%0.399CS..EExtended strand (participates in β ladder)trans-78.9131.1172.6-167.471.1000110.1L3 Y24 I37 L39L3-L11 HydrophobicContact CB-CB 4.02Å; L3-L11 HydrophobicContact CB-CD2 4.13Å; L3-L11 HydrophobicContact CD1-CD2 3.92Å; L3-L11 PolarHBondContact O-N 3.5Å; L11-Y24 VanDerWaalsContact CD1-CB 3.44Å; L11-Y24 HydrophobicContact CD1-CD1 4.17Å; L11-Y24 HydrophobicContact CD1-CD2 4.26Å; L11-Y24 HydrophobicContact CD1-CG 3.72Å; L11-Y24 HydrophobicContact CD2-CD1 4.35Å; L11-Y24 HydrophobicContact CG-CD1 4.19Å; L11-Y24 HydrophobicContact CG-CG 4.25Å; L11-I37 HydrophobicContact CD1-CB 4Å; L11-I37 HydrophobicContact CD1-CD1 3.93Å; L11-I37 HydrophobicContact CD1-CG1 4.48Å; L11-I37 HydrophobicContact CD1-CG2 3.95Å; L11-L39 HydrophobicContact CD1-CD1 4.22Å; L11-L39 HydrophobicContact CD2-CD1 3.97Å
12G93.7Very high85.1Confident40 Ų4069 Ų6941%0.41236%0.358SS..EExtended strand (participates in β ladder)trans-108.9-147.7178.100000112.5L25G12-L25 CarbonylContact C-O 3.44Å; G12-L25 WeakPolarHBondContact CA-O 3.27Å; G12-L25 PolarHBondContact N-O 3.23Å
13R93Very high86.3Confident163 Ų16365.2 Ų65.262%0.61534%0.341SS*.EExtended strand (participates in β ladder)trans-71.3150.4-179.967.9178.6-178.4-103.80.6111.7I15 Y24 L25R13-I15 HydrophobicContact CG-CG2 4.18Å; R13-Y24 WeakPolarHBondContact O-CA 3.4Å; R13-L25 HydrophobicContact CG-CB 4.46Å; R13-L25 PolarHBondContact O-N 3.44Å
14K92.5Very high87.1Confident103 Ų10362.1 Ų62.145%0.44832%0.321SS..EExtended strand (participates in β ladder)trans-62.9133.2166.4-172.5173.1177.5168.20108.9G16 D22 Y24K14-G16 VanDerWaalsContact CE-O 3.29Å; K14-G16 WeakPolarHBondContact CE-O 3.27Å; K14-D22 HydrophobicContact CD-CB 4.44Å; K14-D22 VanDerWaalsContact CE-OD1 3.23Å; K14-D22 WeakPolarHBondContact CE-OD1 3.31Å; K14-D22 IonicContact NZ-OD1 3.66Å; K14-D22 PolarHBondContact NZ-OD1 3.36Å; K14-D22 IonicContact NZ-OD2 3.72Å; K14-D22 PolarHBondContact NZ-OD2 2.89Å; K14-Y24 HydrophobicContact CB-CD1 3.97Å; K14-Y24 HydrophobicContact CB-CE1 3.73Å; K14-Y24 HydrophobicContact CG-CE1 4.35Å
15I90.7Very high87.5Confident68 Ų6856.6 Ų56.635%0.34930%0.302SS..EExtended strand (participates in β ladder)trans-117.7-12.9178.959.4175000112.8R13 I23 L25 L84R13-I15 HydrophobicContact CG-CG2 4.18Å; I15-I23 HydrophobicContact CD1-CG2 4Å; I15-I23 HydrophobicContact CG1-CB 4.25Å; I15-I23 HydrophobicContact CG1-CG2 3.85Å; I15-I23 WeakPolarHBondContact CG1-O 3.38Å; I15-I23 PolarHBondContact N-O 3.44Å; I15-L25 HydrophobicContact CG2-CB 3.77Å; I15-L84 HydrophobicContact CD1-CD1 4.15Å
16G85.1Confident88Confident28 Ų2856.4 Ų56.429%0.28930%0.302SS..EExtended strand (participates in β ladder)trans-178.1-176.4175.300000112.8K14 I23K14-G16 VanDerWaalsContact CE-O 3.29Å; K14-G16 WeakPolarHBondContact CE-O 3.27Å; G16-I23 PolarHBondContact N-O 3.31Å; G16-I23 PolarHBondContact O-N 2.88Å
17S82.7Confident88.6Confident63 Ų6357 Ų5744%0.44131%0.306SS..EExtended strand (participates in β ladder)trans-125.7140.3170.739.40000107.8E439S17-E439 PolarHBondContact OG-OE2 3.19Å
18G72.3Confident89Confident28 Ų2851.8 Ų51.829%0.28928%0.278SS..EExtended strand (participates in β ladder)trans-108.3178.8168.500000110.7F20 G21G18-F20 PolarHBondContact O-N 3.39Å; G18-F20 VanDerWaalsContact O-N 3.08Å; G18-G21 PolarHBondContact N-O 3.19Å
19S65.3Low89Confident36 Ų3649.4 Ų49.425%0.25227%0.27SS..THydrogen-bonded Turntrans-53.7-28.9179.548.20000115D149S19-D149 WeakPolarHBondContact CB-OD2 3.11Å; S19-D149 VanDerWaalsContact OG-CG 3.29Å; S19-D149 PolarHBondContact OG-OD1 3.04Å; S19-D149 VanDerWaalsContact OG-OD1 3.1Å; S19-D149 PolarHBondContact OG-OD2 3.35Å
20F71.9Confident88.9Confident38 Ų3853.5 Ų53.517%0.16731%0.307CS..THydrogen-bonded Turntrans-134.215.4-172.8-53.1-68.5000114.5G18 Q48 L152G18-F20 PolarHBondContact O-N 3.39Å; G18-F20 VanDerWaalsContact O-N 3.08Å; F20-Q48 HydrophobicContact CB-CB 4.48Å; F20-Q48 HydrophobicContact CD1-CG 4.17Å; F20-Q48 HydrophobicContact CD2-CB 4.15Å; F20-Q48 HydrophobicContact CD2-CG 4.44Å; F20-Q48 VanDerWaalsContact CD2-OE1 3.27Å; F20-Q48 VanDerWaalsContact CE1-CD 3.41Å; F20-Q48 HydrophobicContact CE1-CG 4.42Å; F20-Q48 HydrophobicContact CG-CB 4.1Å; F20-Q48 HydrophobicContact CG-CG 4.21Å; F20-Q48 VanDerWaalsContact CZ-CD 3.44Å; F20-L152 HydrophobicContact CE2-CD2 4.27Å; F20-L152 HydrophobicContact CE2-CG 4.33Å; F20-L152 HydrophobicContact CZ-CD2 3.78Å; F20-L152 HydrophobicContact CZ-CG 4.26Å
21G82Confident88.9Confident17 Ų1751.9 Ų51.918%0.17531%0.313CS..EExtended strand (participates in β ladder)trans171.9174.5-177.700000114.1G18 L39G18-G21 PolarHBondContact N-O 3.19Å; G21-L39 CarbonylContact C-O 3.52Å; G21-L39 WeakPolarHBondContact CA-O 3.36Å
22D90.5Very high88.9Confident54 Ų5453.2 Ų53.229%0.28933%0.333SS..EExtended strand (participates in β ladder)trans-94.1144-179.7-76.5-21.1000111K14 Y24 K38 L39K14-D22 HydrophobicContact CD-CB 4.44Å; K14-D22 VanDerWaalsContact CE-OD1 3.23Å; K14-D22 WeakPolarHBondContact CE-OD1 3.31Å; K14-D22 IonicContact NZ-OD1 3.66Å; K14-D22 PolarHBondContact NZ-OD1 3.36Å; K14-D22 IonicContact NZ-OD2 3.72Å; K14-D22 PolarHBondContact NZ-OD2 2.89Å; D22-Y24 HydrophobicContact CB-CD2 4.26Å; D22-Y24 HydrophobicContact CB-CE2 3.45Å; D22-Y24 VanDerWaalsContact CB-CE2 3.45Å; D22-K38 WeakPolarHBondContact O-CA 3.25Å; D22-L39 PolarHBondContact N-O 3.08Å; D22-L39 PolarHBondContact O-N 3.4Å
23I92.8Very high88.9Confident32 Ų3255.9 Ų55.916%0.16434%0.335CS..EExtended strand (participates in β ladder)trans-107.4128.7179.6-45.4-60.5000109.3I15 G16 A36 K38I15-I23 HydrophobicContact CD1-CG2 4Å; I15-I23 HydrophobicContact CG1-CB 4.25Å; I15-I23 HydrophobicContact CG1-CG2 3.85Å; I15-I23 WeakPolarHBondContact CG1-O 3.38Å; I15-I23 PolarHBondContact N-O 3.44Å; G16-I23 PolarHBondContact N-O 3.31Å; G16-I23 PolarHBondContact O-N 2.88Å; I23-A36 HydrophobicContact CG2-CB 4.32Å; I23-K38 HydrophobicContact CD1-CB 3.63Å; I23-K38 HydrophobicContact CD1-CD 3.62Å; I23-K38 HydrophobicContact CD1-CG 3.44Å; I23-K38 VanDerWaalsContact CD1-CG 3.44Å
24Y94.6Very high89.1Confident50 Ų5052.8 Ų52.820%0.19633%0.327CS..EExtended strand (participates in β ladder)trans-121.3145.2-179.2-66.7-101.4000110.8L11 R13 K14 D22 A36 I37 L39L11-Y24 VanDerWaalsContact CD1-CB 3.44Å; L11-Y24 HydrophobicContact CD1-CD1 4.17Å; L11-Y24 HydrophobicContact CD1-CD2 4.26Å; L11-Y24 HydrophobicContact CD1-CG 3.72Å; L11-Y24 HydrophobicContact CD2-CD1 4.35Å; L11-Y24 HydrophobicContact CG-CD1 4.19Å; L11-Y24 HydrophobicContact CG-CG 4.25Å; R13-Y24 WeakPolarHBondContact O-CA 3.4Å; K14-Y24 HydrophobicContact CB-CD1 3.97Å; K14-Y24 HydrophobicContact CB-CE1 3.73Å; K14-Y24 HydrophobicContact CG-CE1 4.35Å; D22-Y24 HydrophobicContact CB-CD2 4.26Å; D22-Y24 HydrophobicContact CB-CE2 3.45Å; D22-Y24 VanDerWaalsContact CB-CE2 3.45Å; Y24-A36 CarbonylContact O-C 3.57Å; Y24-A36 WeakPolarHBondContact O-CA 3.33Å; Y24-I37 PolarHBondContact N-O 3.49Å; Y24-I37 PolarHBondContact O-N 3.44Å; Y24-L39 HydrophobicContact CD2-CD1 3.78Å; Y24-L39 HydrophobicContact CD2-CG 4.06Å; Y24-L39 HydrophobicContact CE2-CB 4.42Å; Y24-L39 HydrophobicContact CE2-CD1 3.63Å; Y24-L39 HydrophobicContact CE2-CG 4.17Å
25L94.7Very high89.3Confident27 Ų2747.9 Ų47.914%0.14131%0.306CS..EExtended strand (participates in β ladder)trans-69.2137.5161.4-179.564.1000108G12 R13 I15 E34 L84G12-L25 CarbonylContact C-O 3.44Å; G12-L25 WeakPolarHBondContact CA-O 3.27Å; G12-L25 PolarHBondContact N-O 3.23Å; R13-L25 HydrophobicContact CG-CB 4.46Å; R13-L25 PolarHBondContact O-N 3.44Å; I15-L25 HydrophobicContact CG2-CB 3.77Å; L25-E34 HydrophobicContact CD1-CB 4.34Å; L25-L84 HydrophobicContact CD1-CD1 4.11Å; L25-L84 HydrophobicContact CD1-CD2 3.61Å
26G95.5Very high89.5Confident5 Ų545 Ų455%0.05229%0.293CS..EExtended strand (participates in β ladder)trans-137.3176.2170.800000111.5R10 E34 V35R10-G26 CarbonylContact O-C 3.6Å; R10-G26 WeakPolarHBondContact O-CA 3.32Å; G26-E34 WeakPolarHBondContact O-CA 3.31Å; G26-V35 VanDerWaalsContact C-CG2 3.46Å; G26-V35 PolarHBondContact N-O 3.2Å; G26-V35 PolarHBondContact O-N 2.9Å
27A96.4Very high90Very high29 Ų2943.7 Ų43.724%0.2428%0.279CS..EExtended strand (participates in β ladder)trans-138.4137.6173.500000110.5Y9 R10 I29 E33Y9-A27 CarbonylContact C-O 3.57Å; Y9-A27 WeakPolarHBondContact CA-O 3.41Å; R10-A27 PolarHBondContact N-O 2.84Å; R10-A27 PolarHBondContact O-N 3.11Å; A27-I29 PolarHBondContact O-N 3.45Å; A27-E33 CarbonylContact C-O 3.57Å; A27-E33 WeakPolarHBondContact CA-O 3.21Å
28N96.2Very high90.6Very high27 Ų2741 Ų4114%0.14426%0.259CS..EExtended strand (participates in β ladder)trans-65.7122.8165.8-176.6-40.1000108.7Y9 A30 S31 G32 E33Y9-N28 HydrophobicContact CD1-CB 4.02Å; Y9-N28 HydrophobicContact CE1-CB 3.93Å; N28-A30 VanDerWaalsContact C-N 3.29Å; N28-A30 PolarHBondContact O-N 2.88Å; N28-A30 PolarHBondContact OD1-N 3.33Å; N28-S31 VanDerWaalsContact CB-OG 3.29Å; N28-S31 WeakPolarHBondContact CB-OG 3.45Å; N28-S31 PolarHBondContact OD1-N 2.94Å; N28-G32 VanDerWaalsContact O-CA 3.27Å; N28-G32 WeakPolarHBondContact O-CA 3.3Å; N28-G32 PolarHBondContact O-N 2.77Å; N28-E33 HydrophobicContact CB-CB 4.31Å; N28-E33 PolarHBondContact N-O 3.16Å
29I94Very high91.5Very high77 Ų7740.6 Ų40.640%0.39525%0.25SS..THydrogen-bonded Turntrans-66-33.7-173.7-62.2167.6000111.3R4 K8 R10 A27R4-I29 HydrophobicContact CG-CD1 4.3Å; K8-I29 WeakPolarHBondContact O-CG1 3.37Å; K8-I29 PolarHBondContact O-N 2.72Å; R10-I29 HydrophobicContact CB-CG1 4.22Å; A27-I29 PolarHBondContact O-N 3.45Å
30A94.5Very high92.9Very high101 Ų10138.9 Ų38.984%0.83524%0.238SC*.THydrogen-bonded Turntrans-82.6-43.9-176.600000112.6N28N28-A30 VanDerWaalsContact C-N 3.29Å; N28-A30 PolarHBondContact O-N 2.88Å; N28-A30 PolarHBondContact OD1-N 3.33Å
31S95Very high93.8Very high75 Ų7539.4 Ų39.452%0.52425%0.246SC..THydrogen-bonded Turntrans-94.7-14.2-176.362.40000114.4N28 E33N28-S31 VanDerWaalsContact CB-OG 3.29Å; N28-S31 WeakPolarHBondContact CB-OG 3.45Å; N28-S31 PolarHBondContact OD1-N 2.94Å; S31-E33 PolarHBondContact O-N 3.14Å; S31-E33 VanDerWaalsContact OG-CB 3.25Å; S31-E33 WeakPolarHBondContact OG-CB 3.49Å; S31-E33 PolarHBondContact OG-N 3.33Å
32G93.2Very high94.1Very high56 Ų5641.4 Ų41.458%0.57726%0.255SS*.  trans70.33.8-170.900000114N28 E34N28-G32 VanDerWaalsContact O-CA 3.27Å; N28-G32 WeakPolarHBondContact O-CA 3.3Å; N28-G32 PolarHBondContact O-N 2.77Å; G32-E34 PolarHBondContact O-N 3.29Å
33E94.7Very high94.1Very high97 Ų9746 Ų4645%0.45327%0.272SS..  trans-68.9126.6-176.8-170.4-168.4-170.700111.1A27 N28 S31 K69A27-E33 CarbonylContact C-O 3.57Å; A27-E33 WeakPolarHBondContact CA-O 3.21Å; N28-E33 HydrophobicContact CB-CB 4.31Å; N28-E33 PolarHBondContact N-O 3.16Å; S31-E33 PolarHBondContact O-N 3.14Å; S31-E33 VanDerWaalsContact OG-CB 3.25Å; S31-E33 WeakPolarHBondContact OG-CB 3.49Å; S31-E33 PolarHBondContact OG-N 3.33Å; E33-K69 IonicContact OE1-NZ 2.77Å; E33-K69 PolarHBondContact OE1-NZ 3.24Å; E33-K69 IonicContact OE2-NZ 2.74Å; E33-K69 PolarHBondContact OE2-NZ 3.19Å
34E95.8Very high93.8Very high98 Ų9847.2 Ų47.246%0.45828%0.281SS..EExtended strand (participates in β ladder)trans-70142.2175.6-60.8-174.2125.300111.3L25 G26 G32 L84L25-E34 HydrophobicContact CD1-CB 4.34Å; G26-E34 WeakPolarHBondContact O-CA 3.31Å; G32-E34 PolarHBondContact O-N 3.29Å; E34-L84 HydrophobicContact CB-CD2 3.72Å
35V96.7Very high93.3Very high0 Ų053.9 Ų53.90%031%0.311CS..EExtended strand (participates in β ladder)trans-139.3157.4-176.8-66.10000110.7Y9 G26 I37 K69 V81 M82Y9-V35 HydrophobicContact CD1-CG1 4.45Å; Y9-V35 HydrophobicContact CD1-CG2 4Å; Y9-V35 HydrophobicContact CE1-CG1 4.31Å; G26-V35 VanDerWaalsContact C-CG2 3.46Å; G26-V35 PolarHBondContact N-O 3.2Å; G26-V35 PolarHBondContact O-N 2.9Å; V35-I37 HydrophobicContact CG2-CD1 4.25Å; V35-I37 HydrophobicContact CG2-CG1 3.99Å; V35-K69 HydrophobicContact CG1-CD 3.65Å; V35-V81 HydrophobicContact CB-CG1 3.77Å; V35-V81 HydrophobicContact CG1-CG1 4.03Å; V35-V81 HydrophobicContact CG2-CG1 3.76Å; V35-M82 WeakPolarHBondContact CB-O 3.04Å
36A96.5Very high92.8Very high8 Ų857.8 Ų57.87%0.06633%0.328CS..EExtended strand (participates in β ladder)trans-96.5136.1163.700000109.6I23 Y24 V81 M82 L84I23-A36 HydrophobicContact CG2-CB 4.32Å; Y24-A36 CarbonylContact O-C 3.57Å; Y24-A36 WeakPolarHBondContact O-CA 3.33Å; A36-V81 WeakPolarHBondContact O-CA 3.4Å; A36-M82 HydrophobicContact CB-CG 3.91Å; A36-M82 PolarHBondContact N-O 3.36Å; A36-M82 WeakPolarHBondContact O-CG 3.43Å; A36-M82 PolarHBondContact O-N 3.19Å; A36-L84 HydrophobicContact CB-CD1 4.07Å
37I95.2Very high92.3Very high0 Ų060.8 Ų60.80%035%0.347CS..EExtended strand (participates in β ladder)trans-120.6112.3-179.4-53.4-174000108.3L11 Y24 V35 L39 V79 M80 V81L11-I37 HydrophobicContact CD1-CB 4Å; L11-I37 HydrophobicContact CD1-CD1 3.93Å; L11-I37 HydrophobicContact CD1-CG1 4.48Å; L11-I37 HydrophobicContact CD1-CG2 3.95Å; Y24-I37 PolarHBondContact N-O 3.49Å; Y24-I37 PolarHBondContact O-N 3.44Å; V35-I37 HydrophobicContact CG2-CD1 4.25Å; V35-I37 HydrophobicContact CG2-CG1 3.99Å; I37-L39 HydrophobicContact CG2-CD2 3.91Å; I37-L39 HydrophobicContact CG2-CG 4.32Å; I37-V79 HydrophobicContact CG2-CG1 3.53Å; I37-M80 WeakPolarHBondContact CA-O 3.36Å; I37-V81 HydrophobicContact CD1-CG2 4.48Å; I37-V81 HydrophobicContact CG1-CG1 4.39Å; I37-V81 HydrophobicContact CG1-CG2 4.18Å; I37-V81 HydrophobicContact CG2-CG2 4.37Å
38K93.9Very high91.7Very high7 Ų761.4 Ų61.43%0.0335%0.345CS..EExtended strand (participates in β ladder)trans-91.8125.7173.5-174.4165.2-173-177.40109.2D22 I23 L49 E52 V79 M80 D149D22-K38 WeakPolarHBondContact O-CA 3.25Å; I23-K38 HydrophobicContact CD1-CB 3.63Å; I23-K38 HydrophobicContact CD1-CD 3.62Å; I23-K38 HydrophobicContact CD1-CG 3.44Å; I23-K38 VanDerWaalsContact CD1-CG 3.44Å; K38-L49 HydrophobicContact CB-CD1 4.14Å; K38-L49 HydrophobicContact CD-CD1 3.51Å; K38-L49 HydrophobicContact CG-CD1 3.55Å; K38-E52 WeakPolarHBondContact CE-OE2 3.35Å; K38-E52 VanDerWaalsContact NZ-CD 3.25Å; K38-E52 IonicContact NZ-OE1 2.75Å; K38-E52 PolarHBondContact NZ-OE1 2.98Å; K38-E52 IonicContact NZ-OE2 3.51Å; K38-E52 PolarHBondContact NZ-OE2 3.49Å; K38-V79 WeakPolarHBondContact O-CA 3.14Å; K38-M80 HydrophobicContact CB-CB 4.44Å; K38-M80 HydrophobicContact CB-CE 4.42Å; K38-M80 HydrophobicContact CD-CE 3.91Å; K38-M80 PolarHBondContact N-O 2.79Å; K38-M80 PolarHBondContact O-N 2.73Å; K38-D149 IonicContact NZ-OD1 2.74Å
39L93.2Very high91.4Very high18 Ų1860.1 Ų60.19%0.09434%0.338CS..EExtended strand (participates in β ladder)trans-114.3126.7179-60.6-178.3000110.2L11 G21 D22 Y24 I37 Y77 V79L11-L39 HydrophobicContact CD1-CD1 4.22Å; L11-L39 HydrophobicContact CD2-CD1 3.97Å; G21-L39 CarbonylContact C-O 3.52Å; G21-L39 WeakPolarHBondContact CA-O 3.36Å; D22-L39 PolarHBondContact N-O 3.08Å; D22-L39 PolarHBondContact O-N 3.4Å; Y24-L39 HydrophobicContact CD2-CD1 3.78Å; Y24-L39 HydrophobicContact CD2-CG 4.06Å; Y24-L39 HydrophobicContact CE2-CB 4.42Å; Y24-L39 HydrophobicContact CE2-CD1 3.63Å; Y24-L39 HydrophobicContact CE2-CG 4.17Å; I37-L39 HydrophobicContact CG2-CD2 3.91Å; I37-L39 HydrophobicContact CG2-CG 4.32Å; L39-Y77 HydrophobicContact CB-CD1 4.08Å; L39-V79 HydrophobicContact CD2-CB 3.91Å; L39-V79 HydrophobicContact CD2-CG1 3.51Å; L39-V79 HydrophobicContact CD2-CG2 3.42Å; L39-V79 VanDerWaalsContact CD2-CG2 3.42Å
40E92.8Very high91Very high1 Ų160.6 Ų60.61%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-119.7126.6173.2170.3-172.7-102.400108.7V42 T44 P47 Q48 L49 Y77 N78E40-V42 PolarHBondContact O-N 2.84Å; E40-T44 HydrophobicContact CG-CG2 3.87Å; E40-P47 WeakPolarHBondContact OE1-CA 3.48Å; E40-Q48 PolarHBondContact OE1-N 3.44Å; E40-L49 HydrophobicContact CB-CB 3.95Å; E40-L49 HydrophobicContact CB-CD2 3.99Å; E40-L49 HydrophobicContact CB-CG 4.49Å; E40-L49 HydrophobicContact CG-CB 4.46Å; E40-L49 PolarHBondContact OE1-N 2.61Å; E40-L49 VanDerWaalsContact OE1-N 3.13Å; E40-L49 WeakPolarHBondContact OE2-CB 3.42Å; E40-L49 PolarHBondContact OE2-N 3.07Å; E40-Y77 CarbonylContact O-C 3.59Å; E40-Y77 VanDerWaalsContact O-CA 3.28Å; E40-Y77 WeakPolarHBondContact O-CA 3.3Å; E40-N78 HydrophobicContact CB-CB 4.27Å; E40-N78 PolarHBondContact N-O 3.34Å; E40-N78 PolarHBondContact O-N 2.96Å; E40-N78 PolarHBondContact OE2-ND2 2.85Å
41C91.3Very high90.6Very high49 Ų4960.3 Ų60.333%0.33132%0.322SS..EExtended strand (participates in β ladder)trans-65.9128.8176.4-176.60000110.4K43 T44 D76 Y77C41-K43 PolarHBondContact O-N 3.32Å; C41-K43 VanDerWaalsContact O-N 3.07Å; C41-T44 WeakPolarHBondContact O-CB 3.42Å; C41-T44 WeakPolarHBondContact O-CG2 3.32Å; C41-T44 PolarHBondContact O-N 3.18Å; C41-D76 WeakPolarHBondContact CA-O 3.41Å; C41-Y77 HydrophobicContact CB-CD1 4.37Å; C41-Y77 HydrophobicContact CB-CE1 4.19Å
42V89.5Confident90.4Very high59 Ų5956.8 Ų56.836%0.35830%0.297SS..THydrogen-bonded Turntrans-61.2-21-180-59.90000113.2E40 T44 D76E40-V42 PolarHBondContact O-N 2.84Å; V42-T44 VanDerWaalsContact C-N 3.26Å; V42-T44 PolarHBondContact O-N 3.15Å; V42-D76 HydrophobicContact CG2-CB 4.48Å; V42-D76 WeakPolarHBondContact CG2-O 3.46Å; V42-D76 PolarHBondContact N-O 3.47Å
43K89.7Confident90.3Very high150 Ų15054.4 Ų54.465%0.65227%0.272SS*.THydrogen-bonded Turntrans-81.8-1.1178.3-60.7171.8179.7153.90112.9C41 D76C41-K43 PolarHBondContact O-N 3.32Å; C41-K43 VanDerWaalsContact O-N 3.07Å; K43-D76 IonicContact NZ-OD1 3.38Å; K43-D76 IonicContact NZ-OD2 2.88Å; K43-D76 PolarHBondContact NZ-OD2 3.36Å
44T86.8Confident90Very high57 Ų5756.5 Ų56.535%0.3528%0.279SS..  trans-61.1140.8175.6-171.80000110.8E40 C41 V42 H46 P47E40-T44 HydrophobicContact CG-CG2 3.87Å; C41-T44 WeakPolarHBondContact O-CB 3.42Å; C41-T44 WeakPolarHBondContact O-CG2 3.32Å; C41-T44 PolarHBondContact O-N 3.18Å; V42-T44 VanDerWaalsContact C-N 3.26Å; V42-T44 PolarHBondContact O-N 3.15Å; T44-H46 PolarHBondContact O-N 3.36Å; T44-P47 HydrophobicContact CG2-CB 3.91Å
45K84.8Confident89.7Confident190 Ų19052.7 Ų52.783%0.82626%0.261SS*.SBendtrans-62.6-27.3-178.6-68.3-176.9179.1177.90112.8
46H82.5Confident89.6Confident109 Ų10952.9 Ų52.951%0.50526%0.262SS..SBendtrans-135.381.8-175.5-57.6-56.1000109.2T44 Q48T44-H46 PolarHBondContact O-N 3.36Å; H46-Q48 WeakPolarHBondContact O-CG 3.46Å; H46-Q48 PolarHBondContact O-N 3.4Å
47P85Confident89.3Confident69 Ų6958.9 Ų58.945%0.44829%0.286SS..  trans-70.1126.2178.527.7-33.2000110.1E40 T44E40-P47 WeakPolarHBondContact OE1-CA 3.48Å; T44-P47 HydrophobicContact CG2-CB 3.91Å
48Q85.2Confident89.2Confident41 Ų4163.3 Ų63.319%0.19231%0.308CS..  trans-122.7-17.3-175.3-57.8-165.413.600112.9F20 E40 H46 H50 I51 E52 G151F20-Q48 HydrophobicContact CB-CB 4.48Å; F20-Q48 HydrophobicContact CD1-CG 4.17Å; F20-Q48 HydrophobicContact CD2-CB 4.15Å; F20-Q48 HydrophobicContact CD2-CG 4.44Å; F20-Q48 VanDerWaalsContact CD2-OE1 3.27Å; F20-Q48 VanDerWaalsContact CE1-CD 3.41Å; F20-Q48 HydrophobicContact CE1-CG 4.42Å; F20-Q48 HydrophobicContact CG-CB 4.1Å; F20-Q48 HydrophobicContact CG-CG 4.21Å; F20-Q48 VanDerWaalsContact CZ-CD 3.44Å; E40-Q48 PolarHBondContact OE1-N 3.44Å; H46-Q48 WeakPolarHBondContact O-CG 3.46Å; H46-Q48 PolarHBondContact O-N 3.4Å; Q48-H50 VanDerWaalsContact C-N 3.3Å; Q48-H50 PolarHBondContact O-N 2.74Å; Q48-I51 CarbonylContact O-C 3.51Å; Q48-I51 WeakPolarHBondContact O-CA 3.43Å; Q48-I51 WeakPolarHBondContact O-CB 3.4Å; Q48-I51 PolarHBondContact O-N 3.21Å; Q48-E52 PolarHBondContact O-N 3.4Å; Q48-G151 PolarHBondContact OE1-O 2.74Å
49L88.7Confident89.1Confident1 Ų163 Ų631%0.00531%0.307CS..Hα-helixtrans-61.6-36.7-172.4-163.867.9000113.4K38 E40 I51 E52 S53 N78 M80K38-L49 HydrophobicContact CB-CD1 4.14Å; K38-L49 HydrophobicContact CD-CD1 3.51Å; K38-L49 HydrophobicContact CG-CD1 3.55Å; E40-L49 HydrophobicContact CB-CB 3.95Å; E40-L49 HydrophobicContact CB-CD2 3.99Å; E40-L49 HydrophobicContact CB-CG 4.49Å; E40-L49 HydrophobicContact CG-CB 4.46Å; E40-L49 PolarHBondContact OE1-N 2.61Å; E40-L49 VanDerWaalsContact OE1-N 3.13Å; E40-L49 WeakPolarHBondContact OE2-CB 3.42Å; E40-L49 PolarHBondContact OE2-N 3.07Å; L49-I51 VanDerWaalsContact C-N 3.33Å; L49-E52 PolarHBondContact O-N 3.4Å; L49-S53 WeakPolarHBondContact O-CB 3.26Å; L49-S53 PolarHBondContact O-N 3.45Å; L49-N78 HydrophobicContact CB-CB 4.25Å; L49-N78 VanDerWaalsContact CD2-C 3.47Å; L49-N78 HydrophobicContact CD2-CB 3.89Å; L49-N78 VanDerWaalsContact CD2-O 3.24Å; L49-N78 WeakPolarHBondContact CD2-O 3.37Å; L49-M80 HydrophobicContact CD1-CB 3.95Å; L49-M80 HydrophobicContact CD1-CE 3.58Å; L49-M80 HydrophobicContact CD1-SD 4.35Å; L49-M80 HydrophobicContact CD2-CB 3.93Å; L49-M80 HydrophobicContact CG-CB 3.94Å
50H86.5Confident89Confident86 Ų8665.7 Ų65.740%0.39832%0.319SS..Hα-helixtrans-68-30.9173.9-80.297.2000113.4Q48 S53 K54 N78Q48-H50 VanDerWaalsContact C-N 3.3Å; Q48-H50 PolarHBondContact O-N 2.74Å; H50-S53 PolarHBondContact O-OG 3.19Å; H50-S53 VanDerWaalsContact O-OG 3.06Å; H50-K54 WeakPolarHBondContact O-CG 3.39Å; H50-K54 PolarHBondContact O-N 3.02Å; H50-N78 VanDerWaalsContact CE1-CG 3.46Å; H50-N78 PolarHBondContact CE1-OD1 3.07Å
51I86.4Confident88.8Confident95 Ų9569.5 Ų69.549%0.48736%0.359SS..Hα-helixtrans-72.6-50.3175.2-63.8172.4000108Q48 L49 S53 K54 F55Q48-I51 CarbonylContact O-C 3.51Å; Q48-I51 WeakPolarHBondContact O-CA 3.43Å; Q48-I51 WeakPolarHBondContact O-CB 3.4Å; Q48-I51 PolarHBondContact O-N 3.21Å; L49-I51 VanDerWaalsContact C-N 3.33Å; I51-S53 VanDerWaalsContact C-N 3.28Å; I51-S53 PolarHBondContact O-N 3Å; I51-K54 WeakPolarHBondContact O-CA 3.15Å; I51-K54 WeakPolarHBondContact O-CB 3.42Å; I51-K54 PolarHBondContact O-N 2.97Å; I51-F55 HydrophobicContact CG2-CD2 3.91Å; I51-F55 HydrophobicContact CG2-CE2 3.63Å; I51-F55 WeakPolarHBondContact O-CD2 3.39Å; I51-F55 PolarHBondContact O-N 3.34Å; I51-F55 VanDerWaalsContact O-N 3.09Å
52E90.1Very high89.1Confident2 Ų267.6 Ų67.61%0.00935%0.348CS..Hα-helixtrans-54.8-41.6177-167.1-174.7174.700112K38 Q48 L49 K54 F55 Y56 M80 F150K38-E52 WeakPolarHBondContact CE-OE2 3.35Å; K38-E52 VanDerWaalsContact NZ-CD 3.25Å; K38-E52 IonicContact NZ-OE1 2.75Å; K38-E52 PolarHBondContact NZ-OE1 2.98Å; K38-E52 IonicContact NZ-OE2 3.51Å; K38-E52 PolarHBondContact NZ-OE2 3.49Å; Q48-E52 PolarHBondContact O-N 3.4Å; L49-E52 PolarHBondContact O-N 3.4Å; E52-K54 VanDerWaalsContact C-N 3.31Å; E52-K54 PolarHBondContact O-N 3.46Å; E52-F55 WeakPolarHBondContact O-CA 3.41Å; E52-F55 VanDerWaalsContact O-CB 3.27Å; E52-F55 WeakPolarHBondContact O-CB 3.18Å; E52-F55 PolarHBondContact O-N 2.97Å; E52-Y56 HydrophobicContact CG-CD2 4.02Å; E52-Y56 HydrophobicContact CG-CE2 3.71Å; E52-Y56 WeakPolarHBondContact O-CD2 3.41Å; E52-Y56 PolarHBondContact O-N 3.47Å; E52-Y56 WeakPolarHBondContact OE1-CE2 3.49Å; E52-M80 HydrophobicContact CG-CE 4.18Å; E52-F150 HydrophobicContact CG-CB 4.18Å
53S90.7Very high89.4Confident5 Ų569.2 Ų69.24%0.03536%0.358CS..Hα-helixtrans-64.5-33.4177.275.80000113.2L49 H50 I51 K57 C71L49-S53 WeakPolarHBondContact O-CB 3.26Å; L49-S53 PolarHBondContact O-N 3.45Å; H50-S53 PolarHBondContact O-OG 3.19Å; H50-S53 VanDerWaalsContact O-OG 3.06Å; I51-S53 VanDerWaalsContact C-N 3.28Å; I51-S53 PolarHBondContact O-N 3Å; S53-K57 WeakPolarHBondContact O-CG 3.14Å; S53-K57 PolarHBondContact O-N 3.48Å; S53-K57 VanDerWaalsContact O-N 3.08Å; S53-C71 VanDerWaalsContact CB-SG 3.58Å; S53-C71 PolarHBondContact OG-SG 2.99Å
54K89.7Confident89.8Confident141 Ų14162.2 Ų62.261%0.61333%0.328SS*.Hα-helixtrans-66.4-38.8170.8-68.5176.5-178.8179.10111.3H50 I51 E52 K57 M58H50-K54 WeakPolarHBondContact O-CG 3.39Å; H50-K54 PolarHBondContact O-N 3.02Å; I51-K54 WeakPolarHBondContact O-CA 3.15Å; I51-K54 WeakPolarHBondContact O-CB 3.42Å; I51-K54 PolarHBondContact O-N 2.97Å; E52-K54 VanDerWaalsContact C-N 3.31Å; E52-K54 PolarHBondContact O-N 3.46Å; K54-K57 PolarHBondContact O-N 3.42Å; K54-M58 WeakPolarHBondContact O-CG 3.33Å; K54-M58 PolarHBondContact O-N 3.08Å
55F89.7Confident90.3Very high19 Ų1960 Ų608%0.08331%0.314CS..Hα-helixtrans-58.5-53.9174.1-86.3-94.7000111.6I51 E52 K57 M58 M59 F124 F150 A153I51-F55 HydrophobicContact CG2-CD2 3.91Å; I51-F55 HydrophobicContact CG2-CE2 3.63Å; I51-F55 WeakPolarHBondContact O-CD2 3.39Å; I51-F55 PolarHBondContact O-N 3.34Å; I51-F55 VanDerWaalsContact O-N 3.09Å; E52-F55 WeakPolarHBondContact O-CA 3.41Å; E52-F55 VanDerWaalsContact O-CB 3.27Å; E52-F55 WeakPolarHBondContact O-CB 3.18Å; E52-F55 PolarHBondContact O-N 2.97Å; F55-K57 VanDerWaalsContact C-N 3.26Å; F55-K57 PolarHBondContact O-N 2.9Å; F55-M58 HydrophobicContact CD1-CE 4.32Å; F55-M58 HydrophobicContact CG-CE 4.22Å; F55-M58 PolarHBondContact O-N 2.98Å; F55-M59 VanDerWaalsContact O-CG 3.27Å; F55-M59 WeakPolarHBondContact O-CG 3.46Å; F55-M59 PolarHBondContact O-N 2.96Å; F55-F124 AromaticContact CD1-CD1 3.93Å; F55-F124 HydrophobicContact CD1-CD1 3.93Å; F55-F124 HydrophobicContact CD1-CD2 4.47Å; F55-F124 HydrophobicContact CD1-CE1 4.06Å; F55-F124 HydrophobicContact CD1-CG 4.12Å; F55-F124 HydrophobicContact CD1-CZ 4.43Å; F55-F124 HydrophobicContact CE1-CB 4.2Å; F55-F124 AromaticContact CE1-CD1 3.05Å; F55-F124 HydrophobicContact CE1-CD1 3.05Å; F55-F124 HydrophobicContact CE1-CD2 4.33Å; F55-F124 AromaticContact CE1-CE1 3.3Å; F55-F124 HydrophobicContact CE1-CE1 3.3Å; F55-F124 AromaticContact CE1-CG 3.62Å; F55-F124 HydrophobicContact CE1-CG 3.62Å; F55-F124 HydrophobicContact CE1-CZ 4.09Å; F55-F124 AromaticContact CZ-CD1 3.68Å; F55-F124 HydrophobicContact CZ-CD1 3.68Å; F55-F124 AromaticContact CZ-CE1 3.61Å; F55-F124 HydrophobicContact CZ-CE1 3.61Å; F55-F150 HydrophobicContact CB-CB 3.84Å; F55-F150 HydrophobicContact CB-CG 4.28Å; F55-F150 HydrophobicContact CD1-CB 4.34Å; F55-F150 HydrophobicContact CG-CB 4.15Å; F55-A153 HydrophobicContact CD1-CB 3.85Å; F55-A153 HydrophobicContact CE1-CB 3.39Å; F55-A153 HydrophobicContact CZ-CB 3.9Å
56Y92.8Very high90.9Very high3 Ų351 Ų511%0.01228%0.275CS..Hα-helixtrans-57.4-39.4177.3-81.2-74.6000112.6E52 M59 Q60 I65 P66 I68 M80 M82 D149 F150E52-Y56 HydrophobicContact CG-CD2 4.02Å; E52-Y56 HydrophobicContact CG-CE2 3.71Å; E52-Y56 WeakPolarHBondContact O-CD2 3.41Å; E52-Y56 PolarHBondContact O-N 3.47Å; E52-Y56 WeakPolarHBondContact OE1-CE2 3.49Å; Y56-M59 CarbonylContact O-C 3.59Å; Y56-M59 PolarHBondContact O-N 3.37Å; Y56-Q60 VanDerWaalsContact O-CG 3.31Å; Y56-Q60 WeakPolarHBondContact O-CG 3.46Å; Y56-Q60 PolarHBondContact O-N 2.87Å; Y56-Q60 PolarHBondContact O-NE2 3.28Å; Y56-Q60 VanDerWaalsContact O-NE2 3.14Å; Y56-I65 HydrophobicContact CD1-CG2 4.26Å; Y56-P66 HydrophobicContact CE1-CB 4.27Å; Y56-P66 HydrophobicContact CE1-CG 3.91Å; Y56-I68 HydrophobicContact CD2-CD1 3.76Å; Y56-I68 HydrophobicContact CD2-CG1 4.29Å; Y56-I68 HydrophobicContact CG-CD1 3.74Å; Y56-I68 HydrophobicContact CG-CG1 3.95Å; Y56-M80 HydrophobicContact CD2-CE 4.26Å; Y56-M80 HydrophobicContact CD2-SD 4.12Å; Y56-M80 HydrophobicContact CE2-CE 3.92Å; Y56-M80 HydrophobicContact CE2-SD 4.38Å; Y56-M82 HydrophobicContact CD2-CE 4.47Å; Y56-M82 HydrophobicContact CE2-CE 3.85Å; Y56-D149 PolarHBondContact OH-N 3.47Å; Y56-F150 HydrophobicContact CD1-CD2 4.01Å; Y56-F150 AromaticContact CD1-CE2 3.9Å; Y56-F150 HydrophobicContact CD1-CE2 3.9Å; Y56-F150 HydrophobicContact CD2-CD2 4.19Å; Y56-F150 AromaticContact CE1-CD2 3.68Å; Y56-F150 HydrophobicContact CE1-CD2 3.68Å; Y56-F150 AromaticContact CE1-CE2 3.54Å; Y56-F150 HydrophobicContact CE1-CE2 3.54Å; Y56-F150 AromaticContact CE2-CD2 3.89Å; Y56-F150 HydrophobicContact CE2-CD2 3.89Å; Y56-F150 HydrophobicContact CG-CD2 4.24Å; Y56-F150 AromaticContact CZ-CD2 3.61Å; Y56-F150 AromaticContact CZ-CE2 3.92Å
57K91.7Very high91.4Very high134 Ų13447.6 Ų47.658%0.58326%0.263SS*.Hα-helixtrans-60.4-42.8174.9-76.7176.3-179.5-179.10112.4S53 K54 F55 M59 Q60S53-K57 WeakPolarHBondContact O-CG 3.14Å; S53-K57 PolarHBondContact O-N 3.48Å; S53-K57 VanDerWaalsContact O-N 3.08Å; K54-K57 PolarHBondContact O-N 3.42Å; F55-K57 VanDerWaalsContact C-N 3.26Å; F55-K57 PolarHBondContact O-N 2.9Å; K57-M59 VanDerWaalsContact C-N 3.27Å; K57-M59 PolarHBondContact O-N 3.32Å; K57-Q60 PolarHBondContact O-N 2.98Å
58M91.5Very high91.8Very high93 Ų9345.8 Ų45.846%0.45825%0.249SC..Hα-helixtrans-68.5-26.3176.1-68.5-178.3-65.600113.1K54 F55 F124K54-M58 WeakPolarHBondContact O-CG 3.33Å; K54-M58 PolarHBondContact O-N 3.08Å; F55-M58 HydrophobicContact CD1-CE 4.32Å; F55-M58 HydrophobicContact CG-CE 4.22Å; F55-M58 PolarHBondContact O-N 2.98Å; M58-F124 HydrophobicContact CE-CE1 4.23Å; M58-F124 HydrophobicContact CE-CE2 3.73Å; M58-F124 HydrophobicContact CE-CZ 3.37Å; M58-F124 HydrophobicContact SD-CE2 4Å; M58-F124 HydrophobicContact SD-CZ 3.84Å
59M92.6Very high92.2Very high0 Ų046.4 Ų46.40%025%0.251CS..Hα-helixtrans-91-11-179.1-63.4-65.6-17900113.8F55 Y56 K57 G62 I65 Y118 I119 K122 F124F55-M59 VanDerWaalsContact O-CG 3.27Å; F55-M59 WeakPolarHBondContact O-CG 3.46Å; F55-M59 PolarHBondContact O-N 2.96Å; Y56-M59 CarbonylContact O-C 3.59Å; Y56-M59 PolarHBondContact O-N 3.37Å; K57-M59 VanDerWaalsContact C-N 3.27Å; K57-M59 PolarHBondContact O-N 3.32Å; M59-G62 PolarHBondContact O-N 3.26Å; M59-I65 HydrophobicContact CB-CG1 4.38Å; M59-I65 HydrophobicContact CB-CG2 3.8Å; M59-Y118 HydrophobicContact CB-CE1 4.37Å; M59-Y118 WeakPolarHBondContact O-CE1 3.47Å; M59-Y118 PolarHBondContact O-OH 3.14Å; M59-Y118 HydrophobicContact SD-CE1 4.12Å; M59-I119 HydrophobicContact CE-CB 4.39Å; M59-I119 HydrophobicContact CE-CG1 4.46Å; M59-I119 HydrophobicContact CE-CG2 3.98Å; M59-K122 HydrophobicContact CE-CB 3.76Å; M59-K122 HydrophobicContact SD-CB 3.52Å; M59-K122 VanDerWaalsContact SD-CB 3.52Å; M59-K122 HydrophobicContact SD-CG 3.61Å; M59-F124 HydrophobicContact CE-CB 3.9Å; M59-F124 HydrophobicContact CE-CD2 3.56Å; M59-F124 HydrophobicContact CE-CE2 4.47Å; M59-F124 HydrophobicContact CE-CG 4.05Å
60Q90.6Very high92.5Very high75 Ų7549.5 Ų49.535%0.3526%0.263SS..THydrogen-bonded Turntrans-51.5145.8-177.7-75.2-54.5-61.900112.3Y56 K57 G62 P66Y56-Q60 VanDerWaalsContact O-CG 3.31Å; Y56-Q60 WeakPolarHBondContact O-CG 3.46Å; Y56-Q60 PolarHBondContact O-N 2.87Å; Y56-Q60 PolarHBondContact O-NE2 3.28Å; Y56-Q60 VanDerWaalsContact O-NE2 3.14Å; K57-Q60 PolarHBondContact O-N 2.98Å; Q60-G62 PolarHBondContact O-N 3.02Å; Q60-P66 PolarHBondContact NE2-O 3.44Å; Q60-P66 VanDerWaalsContact NE2-O 3.09Å
61G90.3Very high92.7Very high81 Ų8147 Ų4784%0.83525%0.254SS*.THydrogen-bonded Turntrans83.6-8.2-173.700000114.3
62G95.6Very high93Very high10 Ų1043.1 Ų43.110%0.10324%0.239CC..  trans-71.4138.3174.200000113M59 Q60 G64 I65 Y118M59-G62 PolarHBondContact O-N 3.26Å; Q60-G62 PolarHBondContact O-N 3.02Å; G62-G64 PolarHBondContact O-N 2.94Å; G62-I65 PolarHBondContact O-N 3.44Å; G62-Y118 VanDerWaalsContact CA-CE1 3.5Å; G62-Y118 WeakPolarHBondContact CA-OH 3.42Å; G62-Y118 PolarHBondContact N-OH 3.02Å; G62-Y118 VanDerWaalsContact N-OH 3.17Å
63V97.6Very high93.1Very high93 Ų9346.1 Ų46.156%0.56426%0.264SS*.THydrogen-bonded Turntrans-62.7124.1173.7179.10000109.6R115 L144V63-R115 WeakPolarHBondContact O-CD 3.37Å; V63-R115 PolarHBondContact O-NE 3.49Å; V63-R115 VanDerWaalsContact O-NE 3.16Å; V63-L144 HydrophobicContact CG1-CD1 3.77Å; V63-L144 HydrophobicContact CG1-CD2 4.27Å
64G97.6Very high93.1Very high3 Ų349 Ų493%0.03128%0.277CS..THydrogen-bonded Turntrans69.828.3-178.300000114.4G62 Y146 I147G62-G64 PolarHBondContact O-N 2.94Å; G64-Y146 VanDerWaalsContact CA-CD1 3.49Å; G64-Y146 VanDerWaalsContact O-CA 3.23Å; G64-Y146 WeakPolarHBondContact O-CA 3.29Å; G64-Y146 WeakPolarHBondContact O-CD1 3.37Å; G64-I147 PolarHBondContact O-N 3.08Å
65I97.7Very high93Very high11 Ų1146 Ų466%0.05629%0.285CS..  trans-104.1123.3165.8-56.8-59.5000108.5Y56 M59 G62 Y118 I147 F150Y56-I65 HydrophobicContact CD1-CG2 4.26Å; M59-I65 HydrophobicContact CB-CG1 4.38Å; M59-I65 HydrophobicContact CB-CG2 3.8Å; G62-I65 PolarHBondContact O-N 3.44Å; I65-Y118 HydrophobicContact CD1-CD1 4.09Å; I65-Y118 HydrophobicContact CD1-CE1 4.25Å; I65-Y118 HydrophobicContact CG1-CD1 3.94Å; I65-Y118 HydrophobicContact CG1-CE1 3.71Å; I65-I147 HydrophobicContact CD1-CG2 3.67Å; I65-F150 HydrophobicContact CD1-CZ 4.1Å
66P95.9Very high93.1Very high1 Ų148.9 Ų48.91%0.00630%0.301CS..PPolyproline II helixtrans-59.8140.9176.5-13.420.1000112.1Y56 Q60 L85 Y146 I147 I148Y56-P66 HydrophobicContact CE1-CB 4.27Å; Y56-P66 HydrophobicContact CE1-CG 3.91Å; Q60-P66 PolarHBondContact NE2-O 3.44Å; Q60-P66 VanDerWaalsContact NE2-O 3.09Å; P66-L85 HydrophobicContact CB-CD1 4.47Å; P66-L85 HydrophobicContact CG-CD1 3.93Å; P66-Y146 HydrophobicContact CG-CD1 4.31Å; P66-I147 WeakPolarHBondContact CD-O 3.41Å; P66-I148 HydrophobicContact CG-CG2 3.82Å
67S94.2Very high93Very high36 Ų3654 Ų5425%0.25232%0.321SS..PPolyproline II helixtrans-77.4134.5172.854.90000111.9M82 E83S67-M82 VanDerWaalsContact O-CA 3.31Å; S67-M82 WeakPolarHBondContact O-CA 3.42Å; S67-M82 WeakPolarHBondContact O-CB 3.44Å; S67-E83 PolarHBondContact N-OE2 3.26Å; S67-E83 VanDerWaalsContact N-OE2 3.16Å; S67-E83 PolarHBondContact O-N 3.22Å; S67-E83 WeakPolarHBondContact OG-CB 3.31Å; S67-E83 PolarHBondContact OG-OE2 3.14Å
68I93.4Very high93.1Very high31 Ų3148.3 Ų48.316%0.15930%0.297CS..EExtended strand (participates in β ladder)trans-85.5128.8167.5-73.9-167000109.2Y56 M80Y56-I68 HydrophobicContact CD2-CD1 3.76Å; Y56-I68 HydrophobicContact CD2-CG1 4.29Å; Y56-I68 HydrophobicContact CG-CD1 3.74Å; Y56-I68 HydrophobicContact CG-CG1 3.95Å; I68-M80 HydrophobicContact CD1-CG 3.92Å; I68-M80 HydrophobicContact CD1-SD 3.36Å; I68-M80 WeakPolarHBondContact CD1-SD 3.46Å; I68-M80 HydrophobicContact CG1-CG 4.46Å; I68-M80 HydrophobicContact CG1-SD 4.29Å
69K93.5Very high93.3Very high55 Ų5544 Ų4424%0.23928%0.276CS..EExtended strand (participates in β ladder)trans-97-39.3178.9-60.1-173.5177.2-175.50112.1E33 V35 V81E33-K69 IonicContact OE1-NZ 2.77Å; E33-K69 PolarHBondContact OE1-NZ 3.24Å; E33-K69 IonicContact OE2-NZ 2.74Å; E33-K69 PolarHBondContact OE2-NZ 3.19Å; V35-K69 HydrophobicContact CG1-CD 3.65Å; K69-V81 HydrophobicContact CB-CG1 4.22Å; K69-V81 PolarHBondContact N-O 2.86Å
70W94Very high93.3Very high66 Ų6644 Ų4425%0.2528%0.276CS..EExtended strand (participates in β ladder)trans-157.7150.9179.6-174.283.1000111.3V5 Y9 V79 V81V5-W70 HydrophobicContact CG1-CE3 3.85Å; V5-W70 HydrophobicContact CG1-CH2 4.08Å; V5-W70 HydrophobicContact CG1-CZ3 3.32Å; Y9-W70 HydrophobicContact CE2-CB 3.74Å; Y9-W70 HydrophobicContact CE2-CG 4.2Å; W70-V79 HydrophobicContact CZ3-CB 3.88Å; W70-V79 HydrophobicContact CZ3-CG1 4.07Å; W70-V81 HydrophobicContact CB-CB 4.13Å; W70-V81 HydrophobicContact CB-CG2 4.32Å; W70-V81 HydrophobicContact CE3-CG2 3.97Å; W70-V81 PolarHBondContact N-O 3.19Å; W70-V81 PolarHBondContact O-N 2.99Å
71C92.4Very high93.5Very high32 Ų3240.4 Ų40.422%0.21626%0.259CS..EExtended strand (participates in β ladder)trans-146.8135.6172.4-173.90000108.3S53 V79S53-C71 VanDerWaalsContact CB-SG 3.58Å; S53-C71 PolarHBondContact OG-SG 2.99Å; C71-V79 VanDerWaalsContact CA-O 3.29Å; C71-V79 WeakPolarHBondContact CA-O 3.33Å
72G92.2Very high93.8Very high15 Ų1537.5 Ų37.516%0.15522%0.224CC..EExtended strand (participates in β ladder)trans-173.4-168.2-179.400000112.1V79G72-V79 PolarHBondContact N-O 3.28Å; G72-V79 PolarHBondContact O-N 3.45Å
73A91.3Very high93.7Very high65 Ų6538.7 Ų38.754%0.53723%0.227SC..EExtended strand (participates in β ladder)trans-117.2137.8173.800000109.4Y77A73-Y77 CarbonylContact C-O 3.56Å; A73-Y77 WeakPolarHBondContact CA-O 3.23Å
74E90.3Very high93.7Very high66 Ų6635.2 Ų35.231%0.30821%0.205SC..EExtended strand (participates in β ladder)trans-139.6111.4178.4-147.585.2-15000108.8G6 D76 Y77 V79G6-E74 WeakPolarHBondContact CA-OE2 3.37Å; G6-E74 PolarHBondContact N-OE2 3.2Å; E74-D76 PolarHBondContact O-N 2.86Å; E74-Y77 PolarHBondContact N-O 2.87Å; E74-Y77 PolarHBondContact O-N 3.43Å; E74-Y77 VanDerWaalsContact O-N 3.14Å; E74-V79 HydrophobicContact CB-CG2 4.05Å
75G88.4Confident93.6Very high76 Ų7635.6 Ų35.678%0.78421%0.207SC*.THydrogen-bonded Turntrans57.7-127.9-173.600000112.4Y77G75-Y77 PolarHBondContact O-N 3.14Å
76D91Very high93.5Very high80 Ų8035.2 Ų35.243%0.42821%0.206SC..THydrogen-bonded Turntrans-84.816179.5-84-5.2000113.5C41 V42 K43 E74C41-D76 WeakPolarHBondContact CA-O 3.41Å; V42-D76 HydrophobicContact CG2-CB 4.48Å; V42-D76 WeakPolarHBondContact CG2-O 3.46Å; V42-D76 PolarHBondContact N-O 3.47Å; K43-D76 IonicContact NZ-OD1 3.38Å; K43-D76 IonicContact NZ-OD2 2.88Å; K43-D76 PolarHBondContact NZ-OD2 3.36Å; E74-D76 PolarHBondContact O-N 2.86Å
77Y92.4Very high93.5Very high111 Ų11135.2 Ų35.244%0.43521%0.206SC..EExtended strand (participates in β ladder)trans-128.7136.1-176-62.5-87.2000113.6L39 E40 C41 A73 E74 G75L39-Y77 HydrophobicContact CB-CD1 4.08Å; E40-Y77 CarbonylContact O-C 3.59Å; E40-Y77 VanDerWaalsContact O-CA 3.28Å; E40-Y77 WeakPolarHBondContact O-CA 3.3Å; C41-Y77 HydrophobicContact CB-CD1 4.37Å; C41-Y77 HydrophobicContact CB-CE1 4.19Å; A73-Y77 CarbonylContact C-O 3.56Å; A73-Y77 WeakPolarHBondContact CA-O 3.23Å; E74-Y77 PolarHBondContact N-O 2.87Å; E74-Y77 PolarHBondContact O-N 3.43Å; E74-Y77 VanDerWaalsContact O-N 3.14Å; G75-Y77 PolarHBondContact O-N 3.14Å
78N93.1Very high93.6Very high15 Ų1534 Ų348%0.0820%0.197CC..EExtended strand (participates in β ladder)trans-76.3137.3153.6-62.5-34.7000107.6E40 L49 H50E40-N78 HydrophobicContact CB-CB 4.27Å; E40-N78 PolarHBondContact N-O 3.34Å; E40-N78 PolarHBondContact O-N 2.96Å; E40-N78 PolarHBondContact OE2-ND2 2.85Å; L49-N78 HydrophobicContact CB-CB 4.25Å; L49-N78 VanDerWaalsContact CD2-C 3.47Å; L49-N78 HydrophobicContact CD2-CB 3.89Å; L49-N78 VanDerWaalsContact CD2-O 3.24Å; L49-N78 WeakPolarHBondContact CD2-O 3.37Å; H50-N78 VanDerWaalsContact CE1-CG 3.46Å; H50-N78 PolarHBondContact CE1-OD1 3.07Å
79V94.4Very high93.8Very high1 Ų132.5 Ų32.51%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-132.9133.6-172.9-173.20000110.8V5 I37 K38 L39 W70 C71 G72 E74 V81V5-V79 HydrophobicContact CB-CG1 4.41Å; V5-V79 HydrophobicContact CG1-CB 4.08Å; V5-V79 HydrophobicContact CG1-CG1 3.35Å; V5-V79 HydrophobicContact CG1-CG2 4.46Å; V5-V79 HydrophobicContact CG2-CG1 4.19Å; I37-V79 HydrophobicContact CG2-CG1 3.53Å; K38-V79 WeakPolarHBondContact O-CA 3.14Å; L39-V79 HydrophobicContact CD2-CB 3.91Å; L39-V79 HydrophobicContact CD2-CG1 3.51Å; L39-V79 HydrophobicContact CD2-CG2 3.42Å; L39-V79 VanDerWaalsContact CD2-CG2 3.42Å; W70-V79 HydrophobicContact CZ3-CB 3.88Å; W70-V79 HydrophobicContact CZ3-CG1 4.07Å; C71-V79 VanDerWaalsContact CA-O 3.29Å; C71-V79 WeakPolarHBondContact CA-O 3.33Å; G72-V79 PolarHBondContact N-O 3.28Å; G72-V79 PolarHBondContact O-N 3.45Å; E74-V79 HydrophobicContact CB-CG2 4.05Å; V79-V81 HydrophobicContact CG1-CG2 4.44Å
80M94.2Very high94Very high0 Ų031 Ų310%018%0.183CC..EExtended strand (participates in β ladder)trans-128.5119.8176.1-178.617065.800109.7I37 K38 L49 E52 Y56 I68 M82I37-M80 WeakPolarHBondContact CA-O 3.36Å; K38-M80 HydrophobicContact CB-CB 4.44Å; K38-M80 HydrophobicContact CB-CE 4.42Å; K38-M80 HydrophobicContact CD-CE 3.91Å; K38-M80 PolarHBondContact N-O 2.79Å; K38-M80 PolarHBondContact O-N 2.73Å; L49-M80 HydrophobicContact CD1-CB 3.95Å; L49-M80 HydrophobicContact CD1-CE 3.58Å; L49-M80 HydrophobicContact CD1-SD 4.35Å; L49-M80 HydrophobicContact CD2-CB 3.93Å; L49-M80 HydrophobicContact CG-CB 3.94Å; E52-M80 HydrophobicContact CG-CE 4.18Å; Y56-M80 HydrophobicContact CD2-CE 4.26Å; Y56-M80 HydrophobicContact CD2-SD 4.12Å; Y56-M80 HydrophobicContact CE2-CE 3.92Å; Y56-M80 HydrophobicContact CE2-SD 4.38Å; I68-M80 HydrophobicContact CD1-CG 3.92Å; I68-M80 HydrophobicContact CD1-SD 3.36Å; I68-M80 WeakPolarHBondContact CD1-SD 3.46Å; I68-M80 HydrophobicContact CG1-CG 4.46Å; I68-M80 HydrophobicContact CG1-SD 4.29Å; M80-M82 HydrophobicContact CE-CE 3.24Å; M80-M82 HydrophobicContact CG-CE 4.09Å; M80-M82 HydrophobicContact SD-CE 3.93Å
81V95Very high94.1Very high0 Ų030.1 Ų30.10%018%0.183CC..EExtended strand (participates in β ladder)trans-103.1128.5178.4-175.30000108.8V5 Y9 V35 A36 I37 K69 W70 V79V5-V81 HydrophobicContact CG1-CG2 4.17Å; Y9-V81 HydrophobicContact CD1-CG1 3.88Å; Y9-V81 HydrophobicContact CD2-CG1 4.31Å; Y9-V81 HydrophobicContact CD2-CG2 3.88Å; Y9-V81 HydrophobicContact CE1-CG1 3.79Å; Y9-V81 HydrophobicContact CE2-CB 4.39Å; Y9-V81 HydrophobicContact CE2-CG1 4.24Å; Y9-V81 HydrophobicContact CE2-CG2 4.17Å; Y9-V81 HydrophobicContact CG-CG1 4.14Å; Y9-V81 HydrophobicContact CG-CG2 4.2Å; V35-V81 HydrophobicContact CB-CG1 3.77Å; V35-V81 HydrophobicContact CG1-CG1 4.03Å; V35-V81 HydrophobicContact CG2-CG1 3.76Å; A36-V81 WeakPolarHBondContact O-CA 3.4Å; I37-V81 HydrophobicContact CD1-CG2 4.48Å; I37-V81 HydrophobicContact CG1-CG1 4.39Å; I37-V81 HydrophobicContact CG1-CG2 4.18Å; I37-V81 HydrophobicContact CG2-CG2 4.37Å; K69-V81 HydrophobicContact CB-CG1 4.22Å; K69-V81 PolarHBondContact N-O 2.86Å; W70-V81 HydrophobicContact CB-CB 4.13Å; W70-V81 HydrophobicContact CB-CG2 4.32Å; W70-V81 HydrophobicContact CE3-CG2 3.97Å; W70-V81 PolarHBondContact N-O 3.19Å; W70-V81 PolarHBondContact O-N 2.99Å; V79-V81 HydrophobicContact CG1-CG2 4.44Å
82M94.9Very high94.3Very high20 Ų2028.6 Ų28.610%0.09917%0.173CC..EExtended strand (participates in β ladder)trans-138.8166.6-174.257.3-179.744.900112.4V35 A36 Y56 S67 M80 L84V35-M82 WeakPolarHBondContact CB-O 3.04Å; A36-M82 HydrophobicContact CB-CG 3.91Å; A36-M82 PolarHBondContact N-O 3.36Å; A36-M82 WeakPolarHBondContact O-CG 3.43Å; A36-M82 PolarHBondContact O-N 3.19Å; Y56-M82 HydrophobicContact CD2-CE 4.47Å; Y56-M82 HydrophobicContact CE2-CE 3.85Å; S67-M82 VanDerWaalsContact O-CA 3.31Å; S67-M82 WeakPolarHBondContact O-CA 3.42Å; S67-M82 WeakPolarHBondContact O-CB 3.44Å; M80-M82 HydrophobicContact CE-CE 3.24Å; M80-M82 HydrophobicContact CG-CE 4.09Å; M80-M82 HydrophobicContact SD-CE 3.93Å; M82-L84 PolarHBondContact O-N 3.15Å
83E95.3Very high94.6Very high36 Ų3627.9 Ų27.917%0.16817%0.165CC..EExtended strand (participates in β ladder)trans-49.7128.2169-174.5170.2-17600110.9S67 L85 K141S67-E83 PolarHBondContact N-OE2 3.26Å; S67-E83 VanDerWaalsContact N-OE2 3.16Å; S67-E83 PolarHBondContact O-N 3.22Å; S67-E83 WeakPolarHBondContact OG-CB 3.31Å; S67-E83 PolarHBondContact OG-OE2 3.14Å; E83-L85 HydrophobicContact CG-CD2 4.28Å; E83-K141 IonicContact OE1-NZ 3.44Å; E83-K141 PolarHBondContact OE1-NZ 3.08Å
84L96.1Very high94.8Very high20 Ų2025.9 Ų25.911%0.10515%0.146CC..  trans-73.8134.1170.8-175.366.8000108.7I15 L25 E34 A36 M82 L138I15-L84 HydrophobicContact CD1-CD1 4.15Å; L25-L84 HydrophobicContact CD1-CD1 4.11Å; L25-L84 HydrophobicContact CD1-CD2 3.61Å; E34-L84 HydrophobicContact CB-CD2 3.72Å; A36-L84 HydrophobicContact CB-CD1 4.07Å; M82-L84 PolarHBondContact O-N 3.15Å; L84-L138 HydrophobicContact CB-CD1 4.23Å; L84-L138 HydrophobicContact CD2-CD1 4.25Å; L84-L138 HydrophobicContact CG-CD1 4.07Å; L84-L138 VanDerWaalsContact O-CD1 3.24Å; L84-L138 WeakPolarHBondContact O-CD1 3.32Å
85L96Very high95Very high11 Ų1124.7 Ų24.76%0.05814%0.14CC..  trans-113.4174.4176.4-64.3-179000110.8P66 E83 L135 Y146 I148P66-L85 HydrophobicContact CB-CD1 4.47Å; P66-L85 HydrophobicContact CG-CD1 3.93Å; E83-L85 HydrophobicContact CG-CD2 4.28Å; L85-L135 HydrophobicContact CB-CB 4.1Å; L85-L135 HydrophobicContact CB-CD2 3.85Å; L85-L135 HydrophobicContact CD1-CB 4.01Å; L85-L135 HydrophobicContact CD1-CD2 4.25Å; L85-Y146 HydrophobicContact CD1-CD1 3.92Å; L85-Y146 HydrophobicContact CD1-CD2 4.35Å; L85-Y146 HydrophobicContact CD1-CG 3.68Å; L85-Y146 HydrophobicContact CD2-CD1 3.83Å; L85-Y146 HydrophobicContact CD2-CD2 3.89Å; L85-Y146 HydrophobicContact CD2-CE1 3.94Å; L85-Y146 HydrophobicContact CD2-CE2 4Å; L85-Y146 HydrophobicContact CD2-CG 3.82Å; L85-Y146 HydrophobicContact CG-CG 4.43Å; L85-I148 HydrophobicContact CD1-CG2 3.98Å
86G95.6Very high95.3Very high3 Ų321.7 Ų21.73%0.03111%0.107CC..  trans-78.5-165.1173.300000113.1L135 M136G86-L135 WeakPolarHBondContact O-CD2 3.23Å; G86-M136 VanDerWaalsContact CA-O 3.27Å; G86-M136 WeakPolarHBondContact CA-O 3.45Å; G86-M136 PolarHBondContact N-O 3.11Å
87P95Very high95.6Very high1 Ų121.7 Ų21.71%0.00611%0.113CC..  trans-65.5155.6-178.827.9-34.6000112.5D91 L92 L135 M136 F456 I457 W460P87-D91 HydrophobicContact CB-CB 3.89Å; P87-L92 HydrophobicContact CB-CD2 4.34Å; P87-L92 HydrophobicContact CB-CG 4.13Å; P87-L92 HydrophobicContact CG-CD1 4.09Å; P87-L92 HydrophobicContact CG-CD2 3.64Å; P87-L92 HydrophobicContact CG-CG 3.77Å; P87-L135 WeakPolarHBondContact O-CA 3.41Å; P87-M136 PolarHBondContact O-N 2.8Å; P87-F456 HydrophobicContact CB-CD1 4.45Å; P87-F456 HydrophobicContact CB-CE1 4.34Å; P87-I457 HydrophobicContact CB-CD1 4.47Å; P87-I457 HydrophobicContact CB-CG1 3.97Å; P87-I457 HydrophobicContact CG-CG1 4.25Å; P87-W460 VanDerWaalsContact CD-CD2 3.42Å; P87-W460 VanDerWaalsContact CD-CE2 3.49Å; P87-W460 HydrophobicContact CG-CD2 3.9Å; P87-W460 HydrophobicContact CG-CE3 3.74Å; P87-W460 HydrophobicContact CG-CH2 4.29Å; P87-W460 HydrophobicContact CG-CZ2 4.42Å; P87-W460 HydrophobicContact CG-CZ3 3.95Å
88S96.7Very high95.8Very high10 Ų1019.8 Ų19.87%0.0711%0.105CC..BIsolated β-bridgetrans-71.3164.2171.172.80000111.4E90 D91 L92 F134S88-E90 PolarHBondContact O-N 3.44Å; S88-E90 PolarHBondContact OG-N 2.86Å; S88-D91 WeakPolarHBondContact CB-OD2 3.44Å; S88-D91 PolarHBondContact N-OD2 3.38Å; S88-D91 WeakPolarHBondContact O-CB 3.42Å; S88-D91 PolarHBondContact O-N 2.7Å; S88-D91 PolarHBondContact OG-N 3.32Å; S88-D91 VanDerWaalsContact OG-N 3.14Å; S88-D91 PolarHBondContact OG-OD2 2.86Å; S88-L92 WeakPolarHBondContact O-CG 3.23Å; S88-L92 PolarHBondContact O-N 3.05Å; S88-F134 CarbonylContact C-O 3.47Å; S88-F134 VanDerWaalsContact CA-O 3.26Å; S88-F134 WeakPolarHBondContact CA-O 3.23Å
89L98.3Very high95.9Very high0 Ų026.9 Ų26.90%014%0.135CC..Hα-helixtrans-67-26173.9-63.1-175000112.2L92 F93 L108 M112 P131 F134 M136 F206 W290L89-L92 HydrophobicContact CD2-CD1 4.26Å; L89-F93 WeakPolarHBondContact O-CB 3.49Å; L89-F93 PolarHBondContact O-N 2.65Å; L89-L108 HydrophobicContact CD1-CD1 4.23Å; L89-L108 HydrophobicContact CD1-CD2 4.01Å; L89-L108 HydrophobicContact CD2-CD1 4.21Å; L89-L108 HydrophobicContact CD2-CD2 3.68Å; L89-M112 HydrophobicContact CD1-CE 4.06Å; L89-M112 HydrophobicContact CD1-SD 3.97Å; L89-P131 HydrophobicContact CB-CB 4.32Å; L89-P131 PolarHBondContact N-O 3.4Å; L89-F134 HydrophobicContact CD1-CB 3.55Å; L89-F134 HydrophobicContact CD1-CG 4.25Å; L89-F134 HydrophobicContact CG-CB 3.75Å; L89-F134 PolarHBondContact N-O 2.91Å; L89-M136 HydrophobicContact CD2-CG 4.43Å; L89-M136 HydrophobicContact CD2-SD 4.03Å; L89-F206 HydrophobicContact CB-CE1 4.38Å; L89-F206 HydrophobicContact CB-CZ 3.76Å; L89-F206 HydrophobicContact CD1-CE2 4.18Å; L89-F206 HydrophobicContact CD1-CZ 4.06Å; L89-W290 HydrophobicContact CD2-CH2 4.37Å
90E97.8Very high96.1Very high22 Ų2227.3 Ų27.310%0.10314%0.137CC..Hα-helixtrans-68.6-42.3171.7-174.759.5-152.600111.1S88 F93 N94 R98 P131 Y205S88-E90 PolarHBondContact O-N 3.44Å; S88-E90 PolarHBondContact OG-N 2.86Å; E90-F93 PolarHBondContact O-N 2.86Å; E90-N94 PolarHBondContact O-N 3.26Å; E90-N94 PolarHBondContact O-ND2 3Å; E90-N94 PolarHBondContact OE1-ND2 2.96Å; E90-N94 VanDerWaalsContact OE1-ND2 3.09Å; E90-R98 IonicContact OE1-NH1 2.6Å; E90-R98 PolarHBondContact OE1-NH1 2.95Å; E90-P131 HydrophobicContact CB-CB 3.99Å; E90-Y205 VanDerWaalsContact CD-OH 3.24Å; E90-Y205 PolarHBondContact OE1-OH 3.28Å; E90-Y205 VanDerWaalsContact OE2-CE1 3.26Å; E90-Y205 WeakPolarHBondContact OE2-CE1 3.26Å; E90-Y205 PolarHBondContact OE2-OH 2.79Å
91D95.5Very high96.3Very high48 Ų4829.4 Ų29.426%0.25715%0.152SC..Hα-helixtrans-59.8-48.2176.3-62.5-38.9000110.9P87 S88 F93 N94 F95 L453 I457P87-D91 HydrophobicContact CB-CB 3.89Å; S88-D91 WeakPolarHBondContact CB-OD2 3.44Å; S88-D91 PolarHBondContact N-OD2 3.38Å; S88-D91 WeakPolarHBondContact O-CB 3.42Å; S88-D91 PolarHBondContact O-N 2.7Å; S88-D91 PolarHBondContact OG-N 3.32Å; S88-D91 VanDerWaalsContact OG-N 3.14Å; S88-D91 PolarHBondContact OG-OD2 2.86Å; D91-F93 VanDerWaalsContact C-N 3.32Å; D91-F93 PolarHBondContact O-N 3.45Å; D91-N94 PolarHBondContact O-N 3.5Å; D91-F95 WeakPolarHBondContact O-CB 3.43Å; D91-F95 PolarHBondContact O-N 3.41Å; D91-L453 HydrophobicContact CB-CD2 3.73Å; D91-L453 VanDerWaalsContact OD1-CD2 3.25Å; D91-L453 WeakPolarHBondContact OD1-CD2 3.19Å; D91-I457 HydrophobicContact CB-CD1 4.12Å
92L97.3Very high96.5Very high0 Ų031.2 Ų31.20%016%0.161CC..Hα-helixtrans-65.3-35.5176.9-70171.4000112.3P87 S88 L89 F95 C96 F100 M136 W290 I457 W460P87-L92 HydrophobicContact CB-CD2 4.34Å; P87-L92 HydrophobicContact CB-CG 4.13Å; P87-L92 HydrophobicContact CG-CD1 4.09Å; P87-L92 HydrophobicContact CG-CD2 3.64Å; P87-L92 HydrophobicContact CG-CG 3.77Å; S88-L92 WeakPolarHBondContact O-CG 3.23Å; S88-L92 PolarHBondContact O-N 3.05Å; L89-L92 HydrophobicContact CD2-CD1 4.26Å; L92-F95 WeakPolarHBondContact O-CB 3.34Å; L92-F95 PolarHBondContact O-N 2.91Å; L92-C96 WeakPolarHBondContact O-CB 3.41Å; L92-C96 PolarHBondContact O-N 3.24Å; L92-C96 PolarHBondContact O-SG 3.47Å; L92-C96 VanDerWaalsContact O-SG 3.41Å; L92-F100 HydrophobicContact CB-CZ 4.21Å; L92-M136 HydrophobicContact CD1-CB 4.47Å; L92-M136 HydrophobicContact CD1-CG 3.42Å; L92-M136 VanDerWaalsContact CD1-CG 3.42Å; L92-W290 HydrophobicContact CB-CD2 4.35Å; L92-W290 HydrophobicContact CB-CE3 3.92Å; L92-W290 HydrophobicContact CB-CZ3 4.21Å; L92-W290 HydrophobicContact CD1-CD2 3.93Å; L92-W290 HydrophobicContact CD1-CE3 4.07Å; L92-W290 HydrophobicContact CD1-CH2 4.01Å; L92-W290 HydrophobicContact CD1-CZ2 3.85Å; L92-W290 HydrophobicContact CD1-CZ3 4.12Å; L92-W290 HydrophobicContact CD2-CB 4.03Å; L92-W290 HydrophobicContact CD2-CD2 3.92Å; L92-W290 HydrophobicContact CD2-CE3 4.33Å; L92-W290 HydrophobicContact CD2-CG 3.79Å; L92-W290 HydrophobicContact CG-CD2 4.3Å; L92-W290 HydrophobicContact CG-CE3 4.34Å; L92-I457 HydrophobicContact CD2-CG2 4Å; L92-W460 HydrophobicContact CD2-CE3 4.47Å; L92-W460 HydrophobicContact CD2-CH2 4.39Å; L92-W460 HydrophobicContact CD2-CZ3 3.78Å
93F97.7Very high96.7Very high0 Ų032 Ų320%016%0.164CC..Hα-helixtrans-65.5-44.3176.1-170.8-129.5000111.3L89 E90 D91 F95 C96 S97 R98 F100 Y205 F206L89-F93 WeakPolarHBondContact O-CB 3.49Å; L89-F93 PolarHBondContact O-N 2.65Å; E90-F93 PolarHBondContact O-N 2.86Å; D91-F93 VanDerWaalsContact C-N 3.32Å; D91-F93 PolarHBondContact O-N 3.45Å; F93-F95 VanDerWaalsContact C-N 3.32Å; F93-F95 PolarHBondContact O-N 2.83Å; F93-C96 CarbonylContact O-C 3.59Å; F93-C96 PolarHBondContact O-N 3.38Å; F93-S97 PolarHBondContact O-N 2.98Å; F93-R98 HydrophobicContact CD1-CB 4.18Å; F93-R98 HydrophobicContact CD1-CG 4.33Å; F93-R98 HydrophobicContact CE1-CB 3.86Å; F93-R98 HydrophobicContact CE1-CG 4.39Å; F93-R98 WeakPolarHBondContact CE2-O 3.5Å; F93-R98 HydrophobicContact CZ-CB 4.1Å; F93-R98 WeakPolarHBondContact CZ-O 3.42Å; F93-R98 WeakPolarHBondContact O-CA 3.37Å; F93-R98 PolarHBondContact O-N 3.3Å; F93-F100 VanDerWaalsContact CA-CZ 3.41Å; F93-F100 HydrophobicContact CB-CE1 4.31Å; F93-F100 HydrophobicContact CB-CE2 4.01Å; F93-F100 HydrophobicContact CB-CZ 3.71Å; F93-F100 AromaticContact CD2-CD1 3.99Å; F93-F100 HydrophobicContact CD2-CD1 3.99Å; F93-F100 AromaticContact CD2-CD2 3.72Å; F93-F100 HydrophobicContact CD2-CD2 3.72Å; F93-F100 AromaticContact CD2-CE1 3.98Å; F93-F100 HydrophobicContact CD2-CE1 3.98Å; F93-F100 AromaticContact CD2-CE2 3.7Å; F93-F100 HydrophobicContact CD2-CE2 3.7Å; F93-F100 AromaticContact CD2-CG 3.85Å; F93-F100 HydrophobicContact CD2-CG 3.85Å; F93-F100 AromaticContact CD2-CZ 3.84Å; F93-F100 HydrophobicContact CD2-CZ 3.84Å; F93-F100 HydrophobicContact CE2-CD2 4.19Å; F93-F100 HydrophobicContact CE2-CG 4.2Å; F93-F100 HydrophobicContact CG-CE2 4.27Å; F93-F100 HydrophobicContact CG-CZ 4.28Å; F93-Y205 AromaticContact CD1-CE1 3.77Å; F93-Y205 HydrophobicContact CD1-CE1 3.77Å; F93-Y205 HydrophobicContact CE1-CD1 4.29Å; F93-Y205 AromaticContact CE1-CE1 3.72Å; F93-Y205 HydrophobicContact CE1-CE1 3.72Å; F93-Y205 HydrophobicContact CE1-CE2 4.43Å; F93-Y205 AromaticContact CE1-CZ 3.83Å; F93-F206 HydrophobicContact CB-CD1 4.43Å; F93-F206 HydrophobicContact CB-CE1 4.29Å; F93-F206 HydrophobicContact CD1-CD1 4.33Å; F93-F206 AromaticContact CD2-CD1 3.91Å; F93-F206 HydrophobicContact CD2-CD1 3.91Å; F93-F206 HydrophobicContact CE1-CD1 4.5Å; F93-F206 HydrophobicContact CE2-CB 4.42Å; F93-F206 HydrophobicContact CE2-CD1 4.1Å; F93-F206 WeakPolarHBondContact CE2-O 3.45Å; F93-F206 HydrophobicContact CG-CD1 4.01Å; F93-F206 HydrophobicContact CG-CE1 4.31Å; F93-F206 HydrophobicContact CZ-CD1 4.36Å
94N96.4Very high96.8Very high24 Ų2430.2 Ų30.213%0.12816%0.156CC..Hα-helixtrans-64.4-37.8174.6-71.9-47.7000112.1E90 D91 S97 R98 L453E90-N94 PolarHBondContact O-N 3.26Å; E90-N94 PolarHBondContact O-ND2 3Å; E90-N94 PolarHBondContact OE1-ND2 2.96Å; E90-N94 VanDerWaalsContact OE1-ND2 3.09Å; D91-N94 PolarHBondContact O-N 3.5Å; N94-S97 PolarHBondContact O-N 3.19Å; N94-S97 VanDerWaalsContact O-N 3.17Å; N94-R98 WeakPolarHBondContact OD1-CG 3.46Å; N94-R98 PolarHBondContact OD1-NH1 2.99Å; N94-L453 HydrophobicContact CB-CD1 4.08Å
95F93.9Very high96.9Very high41 Ų4129.3 Ų29.318%0.1815%0.151CC..Hα-helixtrans-62.7-40.1173.9-176-105000112.5D91 L92 F93 S97 W290 L293 F295 I457 M461D91-F95 WeakPolarHBondContact O-CB 3.43Å; D91-F95 PolarHBondContact O-N 3.41Å; L92-F95 WeakPolarHBondContact O-CB 3.34Å; L92-F95 PolarHBondContact O-N 2.91Å; F93-F95 VanDerWaalsContact C-N 3.32Å; F93-F95 PolarHBondContact O-N 2.83Å; F95-S97 PolarHBondContact O-N 3.09Å; F95-S97 VanDerWaalsContact O-N 3.13Å; F95-W290 HydrophobicContact CD1-CB 4.17Å; F95-W290 HydrophobicContact CE1-CB 4.42Å; F95-L293 HydrophobicContact CD1-CD1 3.57Å; F95-L293 HydrophobicContact CE1-CB 3.92Å; F95-L293 HydrophobicContact CE1-CD1 3.25Å; F95-L293 HydrophobicContact CE1-CG 4.19Å; F95-L293 HydrophobicContact CZ-CB 4.32Å; F95-L293 HydrophobicContact CZ-CD1 4.06Å; F95-F295 HydrophobicContact CZ-CE1 4.33Å; F95-F295 HydrophobicContact CZ-CZ 4.23Å; F95-I457 HydrophobicContact CB-CD1 3.68Å; F95-I457 HydrophobicContact CD1-CG2 4.12Å; F95-I457 HydrophobicContact CD2-CB 4.45Å; F95-I457 HydrophobicContact CD2-CD1 4.22Å; F95-I457 HydrophobicContact CD2-CG2 4.23Å; F95-I457 HydrophobicContact CE1-CG2 4.4Å; F95-I457 HydrophobicContact CG-CD1 4.06Å; F95-I457 HydrophobicContact CG-CG2 4.05Å; F95-M461 HydrophobicContact CD1-CE 4.1Å; F95-M461 HydrophobicContact CD1-SD 4.35Å; F95-M461 HydrophobicContact CE1-CE 3.15Å; F95-M461 HydrophobicContact CE1-SD 3.64Å; F95-M461 HydrophobicContact CE2-CE 3.94Å; F95-M461 HydrophobicContact CZ-CE 3.09Å; F95-M461 HydrophobicContact CZ-SD 4.21Å
96C95.8Very high97.1Very high13 Ų1329 Ų299%0.08815%0.149CC..THydrogen-bonded Turntrans-81.127.8173-64.90000113.3L92 F93 R98 K99 F100L92-C96 WeakPolarHBondContact O-CB 3.41Å; L92-C96 PolarHBondContact O-N 3.24Å; L92-C96 PolarHBondContact O-SG 3.47Å; L92-C96 VanDerWaalsContact O-SG 3.41Å; F93-C96 CarbonylContact O-C 3.59Å; F93-C96 PolarHBondContact O-N 3.38Å; C96-R98 PolarHBondContact O-N 3.37Å; C96-R98 VanDerWaalsContact O-N 3.12Å; C96-K99 PolarHBondContact O-N 3.16Å; C96-K99 VanDerWaalsContact O-N 3.1Å; C96-F100 HydrophobicContact CB-CD1 3.85Å; C96-F100 HydrophobicContact CB-CE1 3.72Å
97S95.8Very high97.2Very high80 Ų8028.8 Ų28.856%0.55915%0.147SC*.THydrogen-bonded Turntrans53.135.4178.7-62.80000114F93 N94 F95 K99F93-S97 PolarHBondContact O-N 2.98Å; N94-S97 PolarHBondContact O-N 3.19Å; N94-S97 VanDerWaalsContact O-N 3.17Å; F95-S97 PolarHBondContact O-N 3.09Å; F95-S97 VanDerWaalsContact O-N 3.13Å; S97-K99 PolarHBondContact O-N 3.22Å
98R96.9Very high97.4Very high71 Ų7128.8 Ų28.827%0.26815%0.147SC..THydrogen-bonded Turntrans57.533.4179.9-54.8-176.960.773.67113.6E90 F93 N94 C96 Y205 G209E90-R98 IonicContact OE1-NH1 2.6Å; E90-R98 PolarHBondContact OE1-NH1 2.95Å; F93-R98 HydrophobicContact CD1-CB 4.18Å; F93-R98 HydrophobicContact CD1-CG 4.33Å; F93-R98 HydrophobicContact CE1-CB 3.86Å; F93-R98 HydrophobicContact CE1-CG 4.39Å; F93-R98 WeakPolarHBondContact CE2-O 3.5Å; F93-R98 HydrophobicContact CZ-CB 4.1Å; F93-R98 WeakPolarHBondContact CZ-O 3.42Å; F93-R98 WeakPolarHBondContact O-CA 3.37Å; F93-R98 PolarHBondContact O-N 3.3Å; N94-R98 WeakPolarHBondContact OD1-CG 3.46Å; N94-R98 PolarHBondContact OD1-NH1 2.99Å; C96-R98 PolarHBondContact O-N 3.37Å; C96-R98 VanDerWaalsContact O-N 3.12Å; R98-Y205 PolarHBondContact NH1-OH 2.85Å; R98-Y205 VanDerWaalsContact NH2-CZ 3.31Å; R98-Y205 PolarHBondContact NH2-OH 3.02Å; R98-G209 PolarHBondContact NH2-O 3.08Å
99K96.4Very high97.5Very high163 Ų16328.3 Ų28.371%0.70914%0.144SC*.  trans-141.4112176.4-171.8177.2-178.2-179.80110.1C96 S97C96-K99 PolarHBondContact O-N 3.16Å; C96-K99 VanDerWaalsContact O-N 3.1Å; S97-K99 PolarHBondContact O-N 3.22Å
100F98.4Very high97.5Very high11 Ų1128.9 Ų28.95%0.04815%0.147CC..  trans-94.5148.9166.6-70.2-28.1000110.7L92 F93 C96 T104 V105 L108 F206 D289 W290L92-F100 HydrophobicContact CB-CZ 4.21Å; F93-F100 VanDerWaalsContact CA-CZ 3.41Å; F93-F100 HydrophobicContact CB-CE1 4.31Å; F93-F100 HydrophobicContact CB-CE2 4.01Å; F93-F100 HydrophobicContact CB-CZ 3.71Å; F93-F100 AromaticContact CD2-CD1 3.99Å; F93-F100 HydrophobicContact CD2-CD1 3.99Å; F93-F100 AromaticContact CD2-CD2 3.72Å; F93-F100 HydrophobicContact CD2-CD2 3.72Å; F93-F100 AromaticContact CD2-CE1 3.98Å; F93-F100 HydrophobicContact CD2-CE1 3.98Å; F93-F100 AromaticContact CD2-CE2 3.7Å; F93-F100 HydrophobicContact CD2-CE2 3.7Å; F93-F100 AromaticContact CD2-CG 3.85Å; F93-F100 HydrophobicContact CD2-CG 3.85Å; F93-F100 AromaticContact CD2-CZ 3.84Å; F93-F100 HydrophobicContact CD2-CZ 3.84Å; F93-F100 HydrophobicContact CE2-CD2 4.19Å; F93-F100 HydrophobicContact CE2-CG 4.2Å; F93-F100 HydrophobicContact CG-CE2 4.27Å; F93-F100 HydrophobicContact CG-CZ 4.28Å; C96-F100 HydrophobicContact CB-CD1 3.85Å; C96-F100 HydrophobicContact CB-CE1 3.72Å; F100-T104 HydrophobicContact CB-CG2 3.95Å; F100-T104 HydrophobicContact CD1-CG2 3.97Å; F100-T104 HydrophobicContact CD2-CG2 3.96Å; F100-T104 HydrophobicContact CE1-CG2 4.45Å; F100-T104 HydrophobicContact CE2-CG2 4.45Å; F100-T104 HydrophobicContact CG-CG2 3.71Å; F100-V105 HydrophobicContact CB-CG2 3.84Å; F100-L108 HydrophobicContact CD2-CD1 4.27Å; F100-L108 HydrophobicContact CE2-CD1 4.06Å; F100-F206 HydrophobicContact CD2-CB 3.9Å; F100-F206 AromaticContact CD2-CD1 3.79Å; F100-F206 HydrophobicContact CD2-CD1 3.79Å; F100-F206 HydrophobicContact CD2-CD2 4.4Å; F100-F206 HydrophobicContact CD2-CE1 4.42Å; F100-F206 AromaticContact CD2-CG 3.79Å; F100-F206 HydrophobicContact CD2-CG 3.79Å; F100-F206 AromaticContact CE2-CD1 3.68Å; F100-F206 HydrophobicContact CE2-CD1 3.68Å; F100-F206 AromaticContact CE2-CE1 3.86Å; F100-F206 HydrophobicContact CE2-CE1 3.86Å; F100-F206 HydrophobicContact CE2-CG 4.05Å; F100-F206 HydrophobicContact CE2-CZ 4.36Å; F100-D289 WeakPolarHBondContact CA-OD2 3.33Å; F100-W290 AromaticContact CE1-CE3 3.86Å; F100-W290 HydrophobicContact CE1-CE3 3.86Å; F100-W290 AromaticContact CE1-CZ3 3.79Å; F100-W290 HydrophobicContact CE1-CZ3 3.79Å; F100-W290 HydrophobicContact CE2-CZ3 4.37Å; F100-W290 HydrophobicContact CZ-CE3 4.15Å; F100-W290 AromaticContact CZ-CZ3 3.71Å; F100-W290 HydrophobicContact CZ-CZ3 3.71Å
101S98.1Very high97.5Very high44 Ų4428.4 Ų28.431%0.30815%0.145SC..  trans-70.3156.1166.468.90000110.2K103 T104 V105 D289S101-K103 PolarHBondContact O-N 3.3Å; S101-T104 PolarHBondContact O-N 3.39Å; S101-T104 PolarHBondContact OG-N 3.41Å; S101-T104 PolarHBondContact OG-OG1 2.92Å; S101-V105 WeakPolarHBondContact O-CG2 3.41Å; S101-V105 PolarHBondContact O-N 3.39Å; S101-V105 VanDerWaalsContact O-N 3.08Å; S101-D289 WeakPolarHBondContact CB-OD1 3.46Å; S101-D289 PolarHBondContact N-OD2 3.02Å; S101-D289 PolarHBondContact OG-OD1 3.04Å; S101-D289 PolarHBondContact OG-OD2 3.35Å
102L98.5Very high97.7Very high38 Ų3826.1 Ų26.120%0.19913%0.133CC..Hα-helixtrans-56.1-38.7173.9-179.461.9000111.2T104 V105 L106 P245 F248 Q280 F282L102-T104 PolarHBondContact O-N 2.89Å; L102-V105 PolarHBondContact O-N 3.34Å; L102-L106 HydrophobicContact CD1-CD1 4.08Å; L102-L106 HydrophobicContact CD1-CD2 4.28Å; L102-L106 HydrophobicContact CD1-CG 3.98Å; L102-L106 HydrophobicContact CD2-CD1 4.48Å; L102-L106 HydrophobicContact CG-CD1 3.88Å; L102-L106 HydrophobicContact CG-CG 4.21Å; L102-L106 VanDerWaalsContact O-CG 3.23Å; L102-L106 WeakPolarHBondContact O-CG 3.3Å; L102-L106 PolarHBondContact O-N 2.77Å; L102-P245 HydrophobicContact CD1-CG 4.23Å; L102-P245 HydrophobicContact CD2-CG 3.9Å; L102-F248 HydrophobicContact CD1-CE2 3.74Å; L102-F248 HydrophobicContact CD1-CZ 3.83Å; L102-Q280 HydrophobicContact CD2-CG 4.17Å; L102-F282 HydrophobicContact CB-CE2 4.37Å; L102-F282 HydrophobicContact CB-CZ 4.41Å; L102-F282 HydrophobicContact CD2-CE2 4.25Å; L102-F282 HydrophobicContact CD2-CZ 4.46Å; L102-F282 HydrophobicContact CG-CE2 4.15Å
103K98.5Very high97.8Very high35 Ų3526.1 Ų26.115%0.15213%0.133CC..Hα-helixtrans-55.2-52.2176.1-177.3-174.9174.7-172.40111.3S101 V105 L106 L107 F277 F282 S283 D285S101-K103 PolarHBondContact O-N 3.3Å; K103-V105 PolarHBondContact O-N 2.81Å; K103-L106 PolarHBondContact O-N 2.97Å; K103-L107 HydrophobicContact CG-CD1 4.27Å; K103-L107 WeakPolarHBondContact O-CG 3.31Å; K103-L107 PolarHBondContact O-N 2.96Å; K103-F277 HydrophobicContact CG-CE2 3.86Å; K103-F277 HydrophobicContact CG-CZ 4.3Å; K103-F282 HydrophobicContact CB-CD1 4.27Å; K103-F282 HydrophobicContact CB-CD2 3.97Å; K103-F282 HydrophobicContact CB-CE1 4.34Å; K103-F282 HydrophobicContact CB-CE2 4.04Å; K103-F282 HydrophobicContact CB-CG 4.1Å; K103-F282 HydrophobicContact CB-CZ 4.23Å; K103-F282 HydrophobicContact CD-CB 4.48Å; K103-F282 HydrophobicContact CG-CB 4.24Å; K103-F282 HydrophobicContact CG-CD1 4.49Å; K103-F282 HydrophobicContact CG-CD2 4.25Å; K103-F282 HydrophobicContact CG-CG 4.09Å; K103-S283 VanDerWaalsContact CE-O 3.27Å; K103-S283 WeakPolarHBondContact CE-O 3.19Å; K103-D285 VanDerWaalsContact CE-OD1 3.27Å; K103-D285 WeakPolarHBondContact CE-OD1 3.37Å; K103-D285 IonicContact NZ-OD1 2.94Å; K103-D285 PolarHBondContact NZ-OD1 3.42Å; K103-D285 IonicContact NZ-OD2 3.04Å; K103-D285 PolarHBondContact NZ-OD2 3.5Å
104T98.6Very high97.8Very high0 Ų027.6 Ų27.60%014%0.143CC..Hα-helixtrans-58.6-47.3177.5-66.80000111.8F100 S101 L102 L106 L107 L108 F288 D289 W290F100-T104 HydrophobicContact CB-CG2 3.95Å; F100-T104 HydrophobicContact CD1-CG2 3.97Å; F100-T104 HydrophobicContact CD2-CG2 3.96Å; F100-T104 HydrophobicContact CE1-CG2 4.45Å; F100-T104 HydrophobicContact CE2-CG2 4.45Å; F100-T104 HydrophobicContact CG-CG2 3.71Å; S101-T104 PolarHBondContact O-N 3.39Å; S101-T104 PolarHBondContact OG-N 3.41Å; S101-T104 PolarHBondContact OG-OG1 2.92Å; L102-T104 PolarHBondContact O-N 2.89Å; T104-L106 VanDerWaalsContact C-N 3.3Å; T104-L106 PolarHBondContact O-N 2.61Å; T104-L107 PolarHBondContact O-N 2.59Å; T104-L108 HydrophobicContact CG2-CD1 3.87Å; T104-L108 HydrophobicContact CG2-CG 4.42Å; T104-L108 WeakPolarHBondContact O-CB 2.92Å; T104-L108 VanDerWaalsContact O-CG 3.3Å; T104-L108 WeakPolarHBondContact O-CG 3.29Å; T104-L108 PolarHBondContact O-N 3.08Å; T104-F288 HydrophobicContact CG2-CB 4.48Å; T104-F288 HydrophobicContact CG2-CD1 4.16Å; T104-D289 WeakPolarHBondContact CB-OD2 3.31Å; T104-D289 PolarHBondContact OG1-N 2.85Å; T104-D289 PolarHBondContact OG1-OD1 2.63Å; T104-D289 PolarHBondContact OG1-OD2 3.29Å; T104-W290 HydrophobicContact CG2-CH2 4.19Å; T104-W290 HydrophobicContact CG2-CZ3 3.72Å
105V98.8Very high97.9Very high0 Ų027.1 Ų27.10%014%0.139CC..Hα-helixtrans-60.3-40.7-179.6176.70000111.4F100 S101 L102 K103 A109 L203 F206 F248F100-V105 HydrophobicContact CB-CG2 3.84Å; S101-V105 WeakPolarHBondContact O-CG2 3.41Å; S101-V105 PolarHBondContact O-N 3.39Å; S101-V105 VanDerWaalsContact O-N 3.08Å; L102-V105 PolarHBondContact O-N 3.34Å; K103-V105 PolarHBondContact O-N 2.81Å; V105-A109 WeakPolarHBondContact O-CB 3.21Å; V105-A109 PolarHBondContact O-N 3.39Å; V105-L203 HydrophobicContact CG1-CB 4.45Å; V105-L203 HydrophobicContact CG1-CD2 4.16Å; V105-F206 HydrophobicContact CG2-CB 3.9Å; V105-F248 HydrophobicContact CG1-CE1 3.89Å; V105-F248 HydrophobicContact CG1-CZ 3.93Å
106L98.7Very high98.2Very high4 Ų425.2 Ų25.22%0.02113%0.131CC..Hα-helixtrans-71.8-39.7179.2-64176.8000112.8L102 K103 T104 L108 A109 D110 F248 F273 L276 F277 F282L102-L106 HydrophobicContact CD1-CD1 4.08Å; L102-L106 HydrophobicContact CD1-CD2 4.28Å; L102-L106 HydrophobicContact CD1-CG 3.98Å; L102-L106 HydrophobicContact CD2-CD1 4.48Å; L102-L106 HydrophobicContact CG-CD1 3.88Å; L102-L106 HydrophobicContact CG-CG 4.21Å; L102-L106 VanDerWaalsContact O-CG 3.23Å; L102-L106 WeakPolarHBondContact O-CG 3.3Å; L102-L106 PolarHBondContact O-N 2.77Å; K103-L106 PolarHBondContact O-N 2.97Å; T104-L106 VanDerWaalsContact C-N 3.3Å; T104-L106 PolarHBondContact O-N 2.61Å; L106-L108 VanDerWaalsContact C-N 3.32Å; L106-L108 PolarHBondContact O-N 3.15Å; L106-A109 PolarHBondContact O-N 2.8Å; L106-D110 PolarHBondContact O-N 3.16Å; L106-F248 HydrophobicContact CD2-CZ 4.21Å; L106-F273 HydrophobicContact CD2-CB 3.84Å; L106-F273 HydrophobicContact CD2-CD1 3.47Å; L106-F273 VanDerWaalsContact CD2-CD1 3.47Å; L106-F273 HydrophobicContact CD2-CE1 4.34Å; L106-F273 HydrophobicContact CD2-CG 3.93Å; L106-L276 HydrophobicContact CD1-CD2 4.01Å; L106-L276 HydrophobicContact CD1-CG 4Å; L106-L276 HydrophobicContact CD2-CD2 3.89Å; L106-F277 HydrophobicContact CB-CD2 3.83Å; L106-F277 HydrophobicContact CD1-CB 4.11Å; L106-F277 HydrophobicContact CD1-CD2 4.12Å; L106-F282 HydrophobicContact CD1-CD2 4.42Å; L106-F282 HydrophobicContact CD1-CE2 4.25Å
107L98.5Very high98.3Very high0 Ų027.5 Ų27.50%014%0.14CC..Hα-helixtrans-60.7-42.4173.1-72.2175.6000111.5K103 T104 F277 Y284 F288K103-L107 HydrophobicContact CG-CD1 4.27Å; K103-L107 WeakPolarHBondContact O-CG 3.31Å; K103-L107 PolarHBondContact O-N 2.96Å; T104-L107 PolarHBondContact O-N 2.59Å; L107-F277 HydrophobicContact CD2-CE2 3.77Å; L107-F277 HydrophobicContact CD2-CZ 3.89Å; L107-F277 HydrophobicContact CG-CE2 3.86Å; L107-F277 HydrophobicContact CG-CZ 4.35Å; L107-Y284 HydrophobicContact CD2-CD2 3.54Å; L107-Y284 HydrophobicContact CD2-CE2 3.41Å; L107-Y284 VanDerWaalsContact CD2-CE2 3.41Å; L107-Y284 HydrophobicContact CD2-CG 4.26Å; L107-F288 HydrophobicContact CB-CD1 4.17Å; L107-F288 HydrophobicContact CB-CE1 3.58Å; L107-F288 HydrophobicContact CB-CZ 4.32Å; L107-F288 HydrophobicContact CD1-CD1 4.11Å; L107-F288 HydrophobicContact CD1-CE1 4.08Å; L107-F288 HydrophobicContact CG-CE1 4.48Å
108L98.8Very high98.4Very high0 Ų025.9 Ų25.90%012%0.122CC..Hα-helixtrans-65.8-46.4176.2-72.3174.3000111.5L89 F100 T104 L106 D110 Q111 M112 V145 F206 F288 W290L89-L108 HydrophobicContact CD1-CD1 4.23Å; L89-L108 HydrophobicContact CD1-CD2 4.01Å; L89-L108 HydrophobicContact CD2-CD1 4.21Å; L89-L108 HydrophobicContact CD2-CD2 3.68Å; F100-L108 HydrophobicContact CD2-CD1 4.27Å; F100-L108 HydrophobicContact CE2-CD1 4.06Å; T104-L108 HydrophobicContact CG2-CD1 3.87Å; T104-L108 HydrophobicContact CG2-CG 4.42Å; T104-L108 WeakPolarHBondContact O-CB 2.92Å; T104-L108 VanDerWaalsContact O-CG 3.3Å; T104-L108 WeakPolarHBondContact O-CG 3.29Å; T104-L108 PolarHBondContact O-N 3.08Å; L106-L108 VanDerWaalsContact C-N 3.32Å; L106-L108 PolarHBondContact O-N 3.15Å; L108-D110 VanDerWaalsContact C-N 3.3Å; L108-D110 PolarHBondContact O-N 3.41Å; L108-Q111 PolarHBondContact O-N 2.97Å; L108-M112 HydrophobicContact CB-SD 4.05Å; L108-M112 WeakPolarHBondContact O-CB 3.37Å; L108-M112 WeakPolarHBondContact O-CG 3.44Å; L108-M112 PolarHBondContact O-N 3.4Å; L108-V145 HydrophobicContact CD2-CG2 3.63Å; L108-F206 HydrophobicContact CD1-CE2 4.49Å; L108-F288 HydrophobicContact CD2-CE1 3.98Å; L108-F288 HydrophobicContact CG-CD1 4.44Å; L108-F288 HydrophobicContact CG-CE1 4.13Å; L108-W290 HydrophobicContact CD1-CH2 4.26Å; L108-W290 HydrophobicContact CD2-CH2 4.16Å; L108-W290 HydrophobicContact CG-CH2 4.48Å
109A98.8Very high98.5Very high0 Ų022.5 Ų22.50%011%0.11CC..Hα-helixtrans-54.7-44.1-179.100000112.3V105 L106 Q111 M112 I113 L203 F273V105-A109 WeakPolarHBondContact O-CB 3.21Å; V105-A109 PolarHBondContact O-N 3.39Å; L106-A109 PolarHBondContact O-N 2.8Å; A109-Q111 PolarHBondContact O-N 3.09Å; A109-M112 PolarHBondContact O-N 3.4Å; A109-I113 WeakPolarHBondContact O-CB 3.48Å; A109-I113 WeakPolarHBondContact O-CD1 3.39Å; A109-I113 WeakPolarHBondContact O-CG1 3.43Å; A109-I113 PolarHBondContact O-N 3.35Å; A109-L203 HydrophobicContact CB-CD1 3.8Å; A109-L203 HydrophobicContact CB-CD2 3.81Å; A109-L203 HydrophobicContact CB-CG 4.48Å; A109-F273 HydrophobicContact CB-CD2 3.78Å; A109-F273 HydrophobicContact CB-CE2 4.09Å; A109-F273 HydrophobicContact CB-CG 4.27Å
110D98.7Very high98.6Very high12 Ų1214.9 Ų14.96%0.0648%0.076CC..Hα-helixtrans-58.7-47.5179.5-167.671.1000112.4L106 L108 S114 R270 R274L106-D110 PolarHBondContact O-N 3.16Å; L108-D110 VanDerWaalsContact C-N 3.3Å; L108-D110 PolarHBondContact O-N 3.41Å; D110-S114 PolarHBondContact O-N 3.13Å; D110-S114 PolarHBondContact O-OG 3.06Å; D110-R270 WeakPolarHBondContact OD1-CD 3.38Å; D110-R274 IonicContact OD1-CZ 3.93Å; D110-R274 IonicContact OD1-NE 3.21Å; D110-R274 PolarHBondContact OD1-NE 3.28Å; D110-R274 IonicContact OD1-NH2 2.86Å; D110-R274 PolarHBondContact OD1-NH2 3.23Å; D110-R274 IonicContact OD2-CZ 3.2Å; D110-R274 IonicContact OD2-NE 3.85Å; D110-R274 IonicContact OD2-NH2 2.65Å; D110-R274 PolarHBondContact OD2-NH2 2.91Å
111Q98.6Very high98.6Very high13 Ų1317.1 Ų17.16%0.0619%0.094CC..Hα-helixtrans-71.1-43.4180-63.3-164.753.400111.8L108 A109 I113 S114 R115 N143 V145L108-Q111 PolarHBondContact O-N 2.97Å; A109-Q111 PolarHBondContact O-N 3.09Å; Q111-I113 PolarHBondContact O-N 2.69Å; Q111-S114 CarbonylContact O-C 3.44Å; Q111-S114 WeakPolarHBondContact O-CA 3.47Å; Q111-S114 WeakPolarHBondContact O-CB 3.38Å; Q111-S114 PolarHBondContact O-N 3.49Å; Q111-S114 VanDerWaalsContact O-N 3.11Å; Q111-R115 WeakPolarHBondContact O-CG 3.45Å; Q111-R115 PolarHBondContact O-N 3.33Å; Q111-N143 PolarHBondContact NE2-O 2.96Å; Q111-V145 HydrophobicContact CB-CB 4.01Å; Q111-V145 HydrophobicContact CB-CG2 3.95Å; Q111-V145 HydrophobicContact CG-CG2 4.45Å
112M98.9Very high98.5Very high0 Ų018.9 Ų18.90%010%0.096CC..Hα-helixtrans-63.3-42.6-178.4-67.3169.685.100111.8L89 L108 A109 S114 R115 I116 F134 V145 L199 V202 L203L89-M112 HydrophobicContact CD1-CE 4.06Å; L89-M112 HydrophobicContact CD1-SD 3.97Å; L108-M112 HydrophobicContact CB-SD 4.05Å; L108-M112 WeakPolarHBondContact O-CB 3.37Å; L108-M112 WeakPolarHBondContact O-CG 3.44Å; L108-M112 PolarHBondContact O-N 3.4Å; A109-M112 PolarHBondContact O-N 3.4Å; M112-S114 VanDerWaalsContact C-N 3.27Å; M112-S114 PolarHBondContact O-N 2.85Å; M112-R115 PolarHBondContact O-N 2.99Å; M112-I116 WeakPolarHBondContact O-CG1 3.13Å; M112-I116 PolarHBondContact O-N 3.31Å; M112-I116 VanDerWaalsContact O-N 3.07Å; M112-F134 HydrophobicContact CB-CE1 4.09Å; M112-F134 HydrophobicContact CB-CZ 4.38Å; M112-F134 HydrophobicContact CE-CD1 4.19Å; M112-F134 HydrophobicContact CE-CD2 3.46Å; M112-F134 VanDerWaalsContact CE-CD2 3.46Å; M112-F134 HydrophobicContact CE-CE1 4.13Å; M112-F134 HydrophobicContact CE-CE2 3.42Å; M112-F134 VanDerWaalsContact CE-CE2 3.42Å; M112-F134 HydrophobicContact CE-CG 3.86Å; M112-F134 HydrophobicContact CE-CZ 3.77Å; M112-F134 HydrophobicContact CG-CD1 3.96Å; M112-F134 HydrophobicContact CG-CE1 3.89Å; M112-F134 HydrophobicContact CG-CG 4.43Å; M112-F134 HydrophobicContact CG-CZ 4.34Å; M112-V145 HydrophobicContact CG-CG1 4.33Å; M112-L199 HydrophobicContact CB-CD1 3.78Å; M112-L199 HydrophobicContact CB-CD2 3.93Å; M112-L199 HydrophobicContact CE-CD1 3.28Å; M112-L199 HydrophobicContact CG-CD1 4.37Å; M112-L199 HydrophobicContact SD-CD1 3.83Å; M112-V202 HydrophobicContact CE-CG1 3.82Å; M112-L203 HydrophobicContact SD-CD2 4.38Å
113I98.9Very high98.5Very high0 Ų018.1 Ų18.10%09%0.092CC..Hα-helixtrans-59.6-42.8173.4-65.5164.7000110A109 Q111 R115 I116 E117 L199 Y251 Y266 L269 R270 F273A109-I113 WeakPolarHBondContact O-CB 3.48Å; A109-I113 WeakPolarHBondContact O-CD1 3.39Å; A109-I113 WeakPolarHBondContact O-CG1 3.43Å; A109-I113 PolarHBondContact O-N 3.35Å; Q111-I113 PolarHBondContact O-N 2.69Å; I113-R115 PolarHBondContact O-N 3.14Å; I113-I116 PolarHBondContact O-N 3.09Å; I113-E117 WeakPolarHBondContact O-CB 3.31Å; I113-E117 PolarHBondContact O-N 3.26Å; I113-L199 HydrophobicContact CG1-CD2 3.66Å; I113-Y251 HydrophobicContact CD1-CE2 3.89Å; I113-Y251 HydrophobicContact CG1-CE2 4.27Å; I113-Y266 HydrophobicContact CG2-CD1 4.37Å; I113-L269 HydrophobicContact CD1-CB 4.19Å; I113-R270 HydrophobicContact CB-CG 4.03Å; I113-R270 HydrophobicContact CD1-CG 4.06Å; I113-R270 HydrophobicContact CG2-CG 3.86Å; I113-F273 HydrophobicContact CD1-CD2 4.07Å; I113-F273 HydrophobicContact CD1-CE2 4.21Å
114S98.7Very high98.4Very high31 Ų3117.4 Ų17.422%0.2179%0.089CC..Hα-helixtrans-65.3-35179.3-55.90000112.9D110 Q111 M112 Y118 R270D110-S114 PolarHBondContact O-N 3.13Å; D110-S114 PolarHBondContact O-OG 3.06Å; Q111-S114 CarbonylContact O-C 3.44Å; Q111-S114 WeakPolarHBondContact O-CA 3.47Å; Q111-S114 WeakPolarHBondContact O-CB 3.38Å; Q111-S114 PolarHBondContact O-N 3.49Å; Q111-S114 VanDerWaalsContact O-N 3.11Å; M112-S114 VanDerWaalsContact C-N 3.27Å; M112-S114 PolarHBondContact O-N 2.85Å; S114-Y118 WeakPolarHBondContact O-CB 3.4Å; S114-Y118 PolarHBondContact O-N 3.17Å; S114-R270 PolarHBondContact OG-NH1 3.48Å
115R98.7Very high98.4Very high13 Ų1317.4 Ų17.45%0.0499%0.089CC..Hα-helixtrans-65.1-46.2172.6-63.8-55.6167.6-89.6-9.3112V63 Q111 M112 I113 Y118 I119 F134 V145 I147V63-R115 WeakPolarHBondContact O-CD 3.37Å; V63-R115 PolarHBondContact O-NE 3.49Å; V63-R115 VanDerWaalsContact O-NE 3.16Å; Q111-R115 WeakPolarHBondContact O-CG 3.45Å; Q111-R115 PolarHBondContact O-N 3.33Å; M112-R115 PolarHBondContact O-N 2.99Å; I113-R115 PolarHBondContact O-N 3.14Å; R115-Y118 PolarHBondContact O-N 3.4Å; R115-I119 WeakPolarHBondContact O-CG1 3.46Å; R115-I119 PolarHBondContact O-N 2.94Å; R115-I119 VanDerWaalsContact O-N 3.08Å; R115-F134 HydrophobicContact CB-CE1 4.47Å; R115-V145 PolarHBondContact NE-O 2.97Å; R115-V145 PolarHBondContact NH2-O 3.36Å; R115-I147 HydrophobicContact CB-CB 4.19Å; R115-I147 HydrophobicContact CB-CG2 3.93Å; R115-I147 HydrophobicContact CG-CB 4.41Å; R115-I147 HydrophobicContact CG-CG2 4.26Å
116I98.8Very high98.4Very high1 Ų117.4 Ų17.41%0.0059%0.089CC..Hα-helixtrans-63.6-44.5178.3-68.5177.7000110.4M112 I113 Y118 I119 H120 V129 D195 L196 L199M112-I116 WeakPolarHBondContact O-CG1 3.13Å; M112-I116 PolarHBondContact O-N 3.31Å; M112-I116 VanDerWaalsContact O-N 3.07Å; I113-I116 PolarHBondContact O-N 3.09Å; I116-Y118 VanDerWaalsContact C-N 3.32Å; I116-Y118 PolarHBondContact O-N 3.24Å; I116-I119 PolarHBondContact O-N 3.34Å; I116-H120 WeakPolarHBondContact CG2-CE1 3.13Å; I116-H120 WeakPolarHBondContact CG2-ND1 3.5Å; I116-H120 WeakPolarHBondContact O-CB 3.22Å; I116-H120 PolarHBondContact O-N 3.45Å; I116-H120 PolarHBondContact O-ND1 2.89Å; I116-V129 HydrophobicContact CD1-CG1 4.2Å; I116-V129 HydrophobicContact CD1-CG2 4.16Å; I116-D195 HydrophobicContact CG2-CB 4.05Å; I116-L196 HydrophobicContact CG2-CD2 3.89Å; I116-L196 HydrophobicContact CG2-CG 4.36Å; I116-L199 HydrophobicContact CD1-CB 3.9Å; I116-L199 HydrophobicContact CD1-CD2 3.74Å; I116-L199 HydrophobicContact CD1-CG 4.33Å
117E98.7Very high98.3Very high61 Ų6119.2 Ų19.229%0.28510%0.095SC..Hα-helixtrans-57.1-44.8174.3179.1174-153.900111.8I113 I119 H120 S121 Y266 R270I113-E117 WeakPolarHBondContact O-CB 3.31Å; I113-E117 PolarHBondContact O-N 3.26Å; E117-I119 PolarHBondContact O-N 3.2Å; E117-H120 PolarHBondContact O-N 3.04Å; E117-S121 WeakPolarHBondContact O-CB 3.21Å; E117-S121 PolarHBondContact O-N 3.45Å; E117-Y266 HydrophobicContact CB-CD1 3.79Å; E117-Y266 HydrophobicContact CB-CD2 4.16Å; E117-Y266 HydrophobicContact CB-CE1 4.15Å; E117-Y266 HydrophobicContact CB-CG 3.8Å; E117-Y266 HydrophobicContact CG-CD1 4.22Å; E117-Y266 HydrophobicContact CG-CD2 3.64Å; E117-Y266 HydrophobicContact CG-CE2 4.04Å; E117-Y266 HydrophobicContact CG-CG 3.76Å; E117-Y266 WeakPolarHBondContact OE1-CD2 3.31Å; E117-R270 IonicContact OE1-NH2 3.18Å; E117-R270 IonicContact OE2-CZ 2.61Å; E117-R270 IonicContact OE2-NH1 3.95Å; E117-R270 PolarHBondContact OE2-NH1 3.19Å; E117-R270 IonicContact OE2-NH2 3.72Å; E117-R270 PolarHBondContact OE2-NH2 3.19Å
118Y98.5Very high98.3Very high46 Ų4619.5 Ų19.518%0.1810%0.097CC..Hα-helixtrans-60.6-46.4178.3179.9-100.2000111.9M59 G62 I65 S114 R115 I116 H120 S121 K122M59-Y118 HydrophobicContact CB-CE1 4.37Å; M59-Y118 WeakPolarHBondContact O-CE1 3.47Å; M59-Y118 PolarHBondContact O-OH 3.14Å; M59-Y118 HydrophobicContact SD-CE1 4.12Å; G62-Y118 VanDerWaalsContact CA-CE1 3.5Å; G62-Y118 WeakPolarHBondContact CA-OH 3.42Å; G62-Y118 PolarHBondContact N-OH 3.02Å; G62-Y118 VanDerWaalsContact N-OH 3.17Å; I65-Y118 HydrophobicContact CD1-CD1 4.09Å; I65-Y118 HydrophobicContact CD1-CE1 4.25Å; I65-Y118 HydrophobicContact CG1-CD1 3.94Å; I65-Y118 HydrophobicContact CG1-CE1 3.71Å; S114-Y118 WeakPolarHBondContact O-CB 3.4Å; S114-Y118 PolarHBondContact O-N 3.17Å; R115-Y118 PolarHBondContact O-N 3.4Å; I116-Y118 VanDerWaalsContact C-N 3.32Å; I116-Y118 PolarHBondContact O-N 3.24Å; Y118-H120 VanDerWaalsContact C-N 3.33Å; Y118-H120 PolarHBondContact O-N 3.43Å; Y118-S121 WeakPolarHBondContact O-CB 3.47Å; Y118-S121 PolarHBondContact O-N 2.64Å; Y118-S121 VanDerWaalsContact O-N 3.16Å; Y118-S121 PolarHBondContact O-OG 3.15Å; Y118-K122 HydrophobicContact CE1-CG 4.26Å; Y118-K122 PolarHBondContact O-N 3.11Å; Y118-K122 WeakPolarHBondContact OH-CE 3.38Å
119I98.2Very high98.3Very high1 Ų119.7 Ų19.71%0.00510%0.098CC..Hα-helixtrans-59-45.8176.1-68163.1000110.8M59 R115 I116 E117 S121 K122 F124 I147 F150M59-I119 HydrophobicContact CE-CB 4.39Å; M59-I119 HydrophobicContact CE-CG1 4.46Å; M59-I119 HydrophobicContact CE-CG2 3.98Å; R115-I119 WeakPolarHBondContact O-CG1 3.46Å; R115-I119 PolarHBondContact O-N 2.94Å; R115-I119 VanDerWaalsContact O-N 3.08Å; I116-I119 PolarHBondContact O-N 3.34Å; E117-I119 PolarHBondContact O-N 3.2Å; I119-S121 VanDerWaalsContact C-N 3.3Å; I119-S121 PolarHBondContact O-N 3.36Å; I119-K122 CarbonylContact O-C 3.6Å; I119-K122 PolarHBondContact O-N 3.22Å; I119-K122 VanDerWaalsContact O-N 3.11Å; I119-F124 CarbonylContact C-O 3.47Å; I119-F124 HydrophobicContact CG2-CB 4.14Å; I119-F124 WeakPolarHBondContact CG2-O 3.49Å; I119-F124 PolarHBondContact O-N 3.26Å; I119-I147 HydrophobicContact CD1-CD1 3.55Å; I119-I147 HydrophobicContact CD1-CG1 4.19Å; I119-I147 HydrophobicContact CD1-CG2 3.87Å; I119-F150 HydrophobicContact CD1-CE1 3.67Å; I119-F150 HydrophobicContact CD1-CZ 4.16Å; I119-F150 HydrophobicContact CG1-CE1 3.87Å; I119-F150 HydrophobicContact CG1-CZ 4.32Å
120H98.5Very high98.2Very high2 Ų220.6 Ų20.61%0.00910%0.102CC..Hα-helixtrans-63-35.6177.1-65.9155.5000112.8I116 E117 Y118 K122 N123 F124 Y156 R192 D195 Y266I116-H120 WeakPolarHBondContact CG2-CE1 3.13Å; I116-H120 WeakPolarHBondContact CG2-ND1 3.5Å; I116-H120 WeakPolarHBondContact O-CB 3.22Å; I116-H120 PolarHBondContact O-N 3.45Å; I116-H120 PolarHBondContact O-ND1 2.89Å; E117-H120 PolarHBondContact O-N 3.04Å; Y118-H120 VanDerWaalsContact C-N 3.33Å; Y118-H120 PolarHBondContact O-N 3.43Å; H120-K122 PolarHBondContact O-N 3.39Å; H120-N123 PolarHBondContact O-N 3.16Å; H120-N123 VanDerWaalsContact O-N 3.09Å; H120-F124 WeakPolarHBondContact CA-O 3.43Å; H120-F124 PolarHBondContact CD2-O 2.96Å; H120-F124 VanDerWaalsContact CD2-O 3.26Å; H120-Y156 HydrophobicContact CB-CE1 4.43Å; H120-Y156 VanDerWaalsContact O-CE1 3.29Å; H120-Y156 WeakPolarHBondContact O-CE1 3.45Å; H120-Y156 PolarHBondContact O-OH 2.92Å; H120-R192 HydrophobicContact CB-CG 4.29Å; H120-R192 PolarHBondContact CE1-O 3.03Å; H120-D195 IonicContact NE2-OD2 2.96Å; H120-D195 PolarHBondContact NE2-OD2 3.49Å; H120-D195 VanDerWaalsContact NE2-OD2 3.17Å; H120-Y266 WeakPolarHBondContact CB-OH 3.21Å; H120-Y266 AromaticContact ND1-CE1 3.51Å; H120-Y266 AromaticContact ND1-CZ 3.54Å; H120-Y266 PolarHBondContact ND1-OH 2.77Å
121S97.5Very high98.2Very high59 Ų5920 Ų2041%0.41310%0.099SC..Hα-helixtrans-61.8-34.1175.984.20000111.4E117 Y118 I119 N123 R157E117-S121 WeakPolarHBondContact O-CB 3.21Å; E117-S121 PolarHBondContact O-N 3.45Å; Y118-S121 WeakPolarHBondContact O-CB 3.47Å; Y118-S121 PolarHBondContact O-N 2.64Å; Y118-S121 VanDerWaalsContact O-N 3.16Å; Y118-S121 PolarHBondContact O-OG 3.15Å; I119-S121 VanDerWaalsContact C-N 3.3Å; I119-S121 PolarHBondContact O-N 3.36Å; S121-N123 PolarHBondContact O-N 2.82Å; S121-R157 PolarHBondContact O-NH2 3.34Å; S121-R157 VanDerWaalsContact O-NH2 3.14Å
122K97.3Very high98.1Very high81 Ų8122.6 Ų22.635%0.35211%0.113SC..THydrogen-bonded Turntrans-83.412.4176.7-61.4-65.7-1751720114M59 Y118 I119 H120 F124M59-K122 HydrophobicContact CE-CB 3.76Å; M59-K122 HydrophobicContact SD-CB 3.52Å; M59-K122 VanDerWaalsContact SD-CB 3.52Å; M59-K122 HydrophobicContact SD-CG 3.61Å; Y118-K122 HydrophobicContact CE1-CG 4.26Å; Y118-K122 PolarHBondContact O-N 3.11Å; Y118-K122 WeakPolarHBondContact OH-CE 3.38Å; I119-K122 CarbonylContact O-C 3.6Å; I119-K122 PolarHBondContact O-N 3.22Å; I119-K122 VanDerWaalsContact O-N 3.11Å; H120-K122 PolarHBondContact O-N 3.39Å; K122-F124 HydrophobicContact CB-CD2 4.43Å; K122-F124 WeakPolarHBondContact O-CD2 3.35Å; K122-F124 VanDerWaalsContact O-CE2 3.25Å; K122-F124 WeakPolarHBondContact O-CE2 3.4Å
123N97.5Very high98Very high21 Ų2123 Ų2311%0.11212%0.115CC..THydrogen-bonded Turntrans7714.4173.4-41.8-63.9000115.8H120 S121 K155 Y156 R157H120-N123 PolarHBondContact O-N 3.16Å; H120-N123 VanDerWaalsContact O-N 3.09Å; S121-N123 PolarHBondContact O-N 2.82Å; N123-K155 WeakPolarHBondContact O-CA 3.12Å; N123-Y156 WeakPolarHBondContact O-CD1 3.01Å; N123-Y156 PolarHBondContact O-N 3.43Å; N123-R157 HydrophobicContact CB-CG 3.82Å; N123-R157 PolarHBondContact OD1-NE 3.18Å; N123-R157 PolarHBondContact OD1-NH2 3.42Å
124F97.7Very high98Very high20 Ų2023 Ų239%0.08812%0.115CC..EExtended strand (participates in β ladder)trans-117.7155.6-179.8-63.4-81.9000111.9F55 M58 M59 I119 H120 K122 K154 K155F55-F124 AromaticContact CD1-CD1 3.93Å; F55-F124 HydrophobicContact CD1-CD1 3.93Å; F55-F124 HydrophobicContact CD1-CD2 4.47Å; F55-F124 HydrophobicContact CD1-CE1 4.06Å; F55-F124 HydrophobicContact CD1-CG 4.12Å; F55-F124 HydrophobicContact CD1-CZ 4.43Å; F55-F124 HydrophobicContact CE1-CB 4.2Å; F55-F124 AromaticContact CE1-CD1 3.05Å; F55-F124 HydrophobicContact CE1-CD1 3.05Å; F55-F124 HydrophobicContact CE1-CD2 4.33Å; F55-F124 AromaticContact CE1-CE1 3.3Å; F55-F124 HydrophobicContact CE1-CE1 3.3Å; F55-F124 AromaticContact CE1-CG 3.62Å; F55-F124 HydrophobicContact CE1-CG 3.62Å; F55-F124 HydrophobicContact CE1-CZ 4.09Å; F55-F124 AromaticContact CZ-CD1 3.68Å; F55-F124 HydrophobicContact CZ-CD1 3.68Å; F55-F124 AromaticContact CZ-CE1 3.61Å; F55-F124 HydrophobicContact CZ-CE1 3.61Å; M58-F124 HydrophobicContact CE-CE1 4.23Å; M58-F124 HydrophobicContact CE-CE2 3.73Å; M58-F124 HydrophobicContact CE-CZ 3.37Å; M58-F124 HydrophobicContact SD-CE2 4Å; M58-F124 HydrophobicContact SD-CZ 3.84Å; M59-F124 HydrophobicContact CE-CB 3.9Å; M59-F124 HydrophobicContact CE-CD2 3.56Å; M59-F124 HydrophobicContact CE-CE2 4.47Å; M59-F124 HydrophobicContact CE-CG 4.05Å; I119-F124 CarbonylContact C-O 3.47Å; I119-F124 HydrophobicContact CG2-CB 4.14Å; I119-F124 WeakPolarHBondContact CG2-O 3.49Å; I119-F124 PolarHBondContact O-N 3.26Å; H120-F124 WeakPolarHBondContact CA-O 3.43Å; H120-F124 PolarHBondContact CD2-O 2.96Å; H120-F124 VanDerWaalsContact CD2-O 3.26Å; K122-F124 HydrophobicContact CB-CD2 4.43Å; K122-F124 WeakPolarHBondContact O-CD2 3.35Å; K122-F124 VanDerWaalsContact O-CE2 3.25Å; K122-F124 WeakPolarHBondContact O-CE2 3.4Å; F124-K154 CarbonylContact C-O 3.21Å; F124-K154 VanDerWaalsContact CA-O 3.28Å; F124-K154 WeakPolarHBondContact CA-O 3.45Å; F124-K155 HydrophobicContact CD1-CB 3.89Å; F124-K155 HydrophobicContact CE1-CB 3.69Å; F124-K155 HydrophobicContact CE1-CG 4.26Å
125I98.2Very high98Very high0 Ų022.9 Ų22.90%011%0.112CC..EExtended strand (participates in β ladder)trans-112.3146.7165.551.1173.1000108.4R127 A153 K154 Y156 Q190 R192 D195I125-R127 HydrophobicContact CB-CG 4.32Å; I125-R127 HydrophobicContact CD1-CG 3.69Å; I125-R127 HydrophobicContact CG1-CG 3.78Å; I125-A153 CarbonylContact O-C 3.51Å; I125-A153 WeakPolarHBondContact O-CA 3.31Å; I125-A153 WeakPolarHBondContact O-CB 3.27Å; I125-K154 HydrophobicContact CG1-CB 4.22Å; I125-K154 VanDerWaalsContact CG1-O 3.3Å; I125-K154 WeakPolarHBondContact CG1-O 3.37Å; I125-K154 PolarHBondContact N-O 2.89Å; I125-K154 PolarHBondContact O-N 2.98Å; I125-Y156 HydrophobicContact CG2-CD1 3.87Å; I125-Y156 HydrophobicContact CG2-CG 4.06Å; I125-Q190 HydrophobicContact CD1-CB 3.96Å; I125-Q190 VanDerWaalsContact CD1-O 3.23Å; I125-Q190 WeakPolarHBondContact CD1-O 3.41Å; I125-R192 HydrophobicContact CG2-CG 4.25Å; I125-D195 WeakPolarHBondContact CA-OD2 3.48Å
126H97.6Very high98Very high1 Ų122.3 Ų22.31%0.00511%0.11CC..  trans-78.7-47.9-175.4-166.4-86000112.2D128 V129 I148 D149 F150 L152 D195H126-D128 PolarHBondContact CE1-O 3.28Å; H126-D128 PolarHBondContact ND1-N 2.63Å; H126-D128 PolarHBondContact ND1-O 3.41Å; H126-D128 PolarHBondContact O-N 3.29Å; H126-V129 HydrophobicContact CB-CG2 4.21Å; H126-I148 PolarHBondContact NE2-O 3.08Å; H126-D149 PolarHBondContact CE1-O 3.26Å; H126-D149 PolarHBondContact NE2-O 3.29Å; H126-F150 AromaticContact CD2-CD1 4Å; H126-F150 AromaticContact CD2-CE1 3.9Å; H126-L152 CarbonylContact O-C 3.52Å; H126-D195 PolarHBondContact N-OD2 3.48Å
127R97.8Very high97.9Very high41 Ų4122.2 Ų22.216%0.15511%0.11CC..SBendtrans68.5-0.2178.7-51.9-165.8-67.1163.63.8117.4I125 L152 Q190 D195I125-R127 HydrophobicContact CB-CG 4.32Å; I125-R127 HydrophobicContact CD1-CG 3.69Å; I125-R127 HydrophobicContact CG1-CG 3.78Å; R127-L152 PolarHBondContact NE-O 3.11Å; R127-L152 PolarHBondContact NH2-O 3.29Å; R127-Q190 VanDerWaalsContact CA-OE1 3.3Å; R127-Q190 VanDerWaalsContact CB-OE1 3.23Å; R127-Q190 HydrophobicContact CG-CB 4.3Å; R127-Q190 VanDerWaalsContact CG-OE1 3.3Å; R127-D195 PolarHBondContact N-OD1 3.45Å
128D97.2Very high97.6Very high7 Ų721.9 Ų21.94%0.03711%0.109CC..  trans-140.153.1174.7-160.436.6000112.8H126 K130 N133 L152 G175 T176H126-D128 PolarHBondContact CE1-O 3.28Å; H126-D128 PolarHBondContact ND1-N 2.63Å; H126-D128 PolarHBondContact ND1-O 3.41Å; H126-D128 PolarHBondContact O-N 3.29Å; D128-K130 PolarHBondContact O-N 3.02Å; D128-K130 IonicContact OD1-NZ 2.7Å; D128-K130 VanDerWaalsContact OD2-CE 3.24Å; D128-K130 WeakPolarHBondContact OD2-CE 3.32Å; D128-K130 IonicContact OD2-NZ 3.79Å; D128-K130 PolarHBondContact OD2-NZ 3.31Å; D128-N133 PolarHBondContact O-ND2 2.99Å; D128-N133 PolarHBondContact OD2-ND2 3.07Å; D128-L152 HydrophobicContact CB-CB 4.37Å; D128-L152 HydrophobicContact CB-CD1 3.81Å; D128-G175 VanDerWaalsContact OD1-CA 3.27Å; D128-G175 WeakPolarHBondContact OD1-CA 3.3Å; D128-T176 PolarHBondContact OD1-N 3.1Å; D128-T176 PolarHBondContact OD1-OG1 2.85Å
129V98.7Very high97.2Very high4 Ų421.2 Ų21.22%0.02412%0.116CC..  trans-73.1110.8178.4177.30000109.6I116 H126 F134 Y179 D195 L199I116-V129 HydrophobicContact CD1-CG1 4.2Å; I116-V129 HydrophobicContact CD1-CG2 4.16Å; H126-V129 HydrophobicContact CB-CG2 4.21Å; V129-F134 HydrophobicContact CG1-CE2 3.88Å; V129-F134 HydrophobicContact CG1-CZ 4.13Å; V129-Y179 WeakPolarHBondContact O-CB 3.15Å; V129-D195 HydrophobicContact CG2-CB 4.02Å; V129-L199 HydrophobicContact CG1-CB 4.1Å
130K98.2Very high96.9Very high18 Ų1831.1 Ų31.18%0.07816%0.16CC..  trans-154.2158-179.466-166.9-172.3-159.90111.3D128 D132 N133 F134 T176 Y179 E438D128-K130 PolarHBondContact O-N 3.02Å; D128-K130 IonicContact OD1-NZ 2.7Å; D128-K130 VanDerWaalsContact OD2-CE 3.24Å; D128-K130 WeakPolarHBondContact OD2-CE 3.32Å; D128-K130 IonicContact OD2-NZ 3.79Å; D128-K130 PolarHBondContact OD2-NZ 3.31Å; K130-D132 HydrophobicContact CG-CB 4.23Å; K130-D132 PolarHBondContact O-N 3.46Å; K130-N133 HydrophobicContact CG-CB 4.19Å; K130-N133 PolarHBondContact O-N 3.24Å; K130-F134 VanDerWaalsContact O-CD2 3.25Å; K130-F134 WeakPolarHBondContact O-CD2 3.27Å; K130-T176 VanDerWaalsContact CD-OG1 3.24Å; K130-T176 WeakPolarHBondContact CD-OG1 3.48Å; K130-T176 PolarHBondContact NZ-OG1 2.99Å; K130-T176 VanDerWaalsContact NZ-OG1 3.1Å; K130-Y179 HydrophobicContact CB-CD2 3.4Å; K130-Y179 VanDerWaalsContact CB-CD2 3.4Å; K130-Y179 HydrophobicContact CB-CE2 3.53Å; K130-Y179 HydrophobicContact CB-CG 4.33Å; K130-E438 IonicContact NZ-OE1 3.27Å; K130-E438 PolarHBondContact NZ-OE1 2.8Å
131P98.4Very high96.7Very high0 Ų035.3 Ų35.30%018%0.178CC..G310 helixtrans-53.5-37.2-177.4-27.536.9000114.1L89 E90 N133 F134 Y179 V202 Y205 F206L89-P131 HydrophobicContact CB-CB 4.32Å; L89-P131 PolarHBondContact N-O 3.4Å; E90-P131 HydrophobicContact CB-CB 3.99Å; P131-N133 PolarHBondContact O-N 3.49Å; P131-F134 PolarHBondContact O-N 3.08Å; P131-F134 VanDerWaalsContact O-N 3.16Å; P131-Y179 WeakPolarHBondContact CD-OH 3.22Å; P131-Y179 HydrophobicContact CG-CE1 4.43Å; P131-V202 HydrophobicContact CG-CG1 3.96Å; P131-V202 HydrophobicContact CG-CG2 4.48Å; P131-Y205 HydrophobicContact CG-CD1 4.01Å; P131-Y205 HydrophobicContact CG-CE1 3.95Å; P131-F206 HydrophobicContact CB-CE1 3.98Å; P131-F206 HydrophobicContact CB-CZ 3.81Å; P131-F206 HydrophobicContact CG-CE1 3.98Å; P131-F206 HydrophobicContact CG-CZ 3.88Å
132D96.4Very high96.5Very high67 Ų6733 Ų3336%0.35816%0.163SC..G310 helixtrans-62.4-27.9-179.8-47.5-101.3000113K130 F134 L135K130-D132 HydrophobicContact CG-CB 4.23Å; K130-D132 PolarHBondContact O-N 3.46Å; D132-F134 VanDerWaalsContact C-N 3.33Å; D132-L135 VanDerWaalsContact O-CD1 3.3Å; D132-L135 WeakPolarHBondContact O-CD1 3.32Å
133N97.5Very high96.5Very high9 Ų931.6 Ų31.65%0.04816%0.159CC..G310 helixtrans-91.36.5-178.8-72.3-15.2000113.1D128 K130 P131 I147 I148D128-N133 PolarHBondContact O-ND2 2.99Å; D128-N133 PolarHBondContact OD2-ND2 3.07Å; K130-N133 HydrophobicContact CG-CB 4.19Å; K130-N133 PolarHBondContact O-N 3.24Å; P131-N133 PolarHBondContact O-N 3.49Å; N133-I147 WeakPolarHBondContact O-CA 3.3Å; N133-I148 HydrophobicContact CB-CG1 4.31Å; N133-I148 WeakPolarHBondContact O-CG1 3.28Å; N133-I148 PolarHBondContact O-N 3.47Å
134F98.5Very high96.5Very high0 Ų032.3 Ų32.30%016%0.163CC..EExtended strand (participates in β ladder)trans-116.5120.9170.1-66.5-86.5000109.8S88 L89 M112 R115 V129 K130 P131 D132 V145 Y146 I147S88-F134 CarbonylContact C-O 3.47Å; S88-F134 VanDerWaalsContact CA-O 3.26Å; S88-F134 WeakPolarHBondContact CA-O 3.23Å; L89-F134 HydrophobicContact CD1-CB 3.55Å; L89-F134 HydrophobicContact CD1-CG 4.25Å; L89-F134 HydrophobicContact CG-CB 3.75Å; L89-F134 PolarHBondContact N-O 2.91Å; M112-F134 HydrophobicContact CB-CE1 4.09Å; M112-F134 HydrophobicContact CB-CZ 4.38Å; M112-F134 HydrophobicContact CE-CD1 4.19Å; M112-F134 HydrophobicContact CE-CD2 3.46Å; M112-F134 VanDerWaalsContact CE-CD2 3.46Å; M112-F134 HydrophobicContact CE-CE1 4.13Å; M112-F134 HydrophobicContact CE-CE2 3.42Å; M112-F134 VanDerWaalsContact CE-CE2 3.42Å; M112-F134 HydrophobicContact CE-CG 3.86Å; M112-F134 HydrophobicContact CE-CZ 3.77Å; M112-F134 HydrophobicContact CG-CD1 3.96Å; M112-F134 HydrophobicContact CG-CE1 3.89Å; M112-F134 HydrophobicContact CG-CG 4.43Å; M112-F134 HydrophobicContact CG-CZ 4.34Å; R115-F134 HydrophobicContact CB-CE1 4.47Å; V129-F134 HydrophobicContact CG1-CE2 3.88Å; V129-F134 HydrophobicContact CG1-CZ 4.13Å; K130-F134 VanDerWaalsContact O-CD2 3.25Å; K130-F134 WeakPolarHBondContact O-CD2 3.27Å; P131-F134 PolarHBondContact O-N 3.08Å; P131-F134 VanDerWaalsContact O-N 3.16Å; D132-F134 VanDerWaalsContact C-N 3.33Å; F134-V145 HydrophobicContact CB-CG1 4.06Å; F134-V145 HydrophobicContact CD1-CG1 3.78Å; F134-V145 HydrophobicContact CG-CG1 4.35Å; F134-Y146 CarbonylContact C-O 3.56Å; F134-Y146 WeakPolarHBondContact CA-O 3.34Å; F134-I147 HydrophobicContact CD1-CB 4.24Å; F134-I147 HydrophobicContact CD1-CG1 4.48Å; F134-I147 HydrophobicContact CE1-CB 4.13Å; F134-I147 HydrophobicContact CE1-CD1 3.74Å; F134-I147 HydrophobicContact CE1-CG1 4.14Å; F134-I147 HydrophobicContact CZ-CD1 3.83Å; F134-I147 HydrophobicContact CZ-CG1 4.5Å
135L98Very high96.5Very high29 Ų2931.4 Ų31.415%0.15216%0.159CC..EExtended strand (participates in β ladder)trans-118.5148.8-178.5-81.864.9000110.1L85 G86 P87 D132 V145 Y146 I148L85-L135 HydrophobicContact CB-CB 4.1Å; L85-L135 HydrophobicContact CB-CD2 3.85Å; L85-L135 HydrophobicContact CD1-CB 4.01Å; L85-L135 HydrophobicContact CD1-CD2 4.25Å; G86-L135 WeakPolarHBondContact O-CD2 3.23Å; P87-L135 WeakPolarHBondContact O-CA 3.41Å; D132-L135 VanDerWaalsContact O-CD1 3.3Å; D132-L135 WeakPolarHBondContact O-CD1 3.32Å; L135-V145 CarbonylContact O-C 3.58Å; L135-Y146 PolarHBondContact N-O 3.28Å; L135-Y146 WeakPolarHBondContact O-CB 3.36Å; L135-Y146 PolarHBondContact O-N 3.32Å; L135-I148 HydrophobicContact CD1-CD1 3.42Å; L135-I148 VanDerWaalsContact CD1-CD1 3.42Å; L135-I148 HydrophobicContact CD1-CG1 3.83Å; L135-I148 HydrophobicContact CD1-CG2 4.41Å; L135-I148 HydrophobicContact CD2-CD1 4.18Å; L135-I148 HydrophobicContact CG-CD1 4.46Å
136M98.2Very high96.5Very high0 Ų031.6 Ų31.60%016%0.16CC..EExtended strand (participates in β ladder)trans-79.3152.2169-61.7-55.5-64.100110.6G86 P87 L89 L92 G142 V145 F288 W290 W460G86-M136 VanDerWaalsContact CA-O 3.27Å; G86-M136 WeakPolarHBondContact CA-O 3.45Å; G86-M136 PolarHBondContact N-O 3.11Å; P87-M136 PolarHBondContact O-N 2.8Å; L89-M136 HydrophobicContact CD2-CG 4.43Å; L89-M136 HydrophobicContact CD2-SD 4.03Å; L92-M136 HydrophobicContact CD1-CB 4.47Å; L92-M136 HydrophobicContact CD1-CG 3.42Å; L92-M136 VanDerWaalsContact CD1-CG 3.42Å; M136-G142 WeakPolarHBondContact CE-O 3.4Å; M136-V145 HydrophobicContact CE-CG2 4.33Å; M136-V145 HydrophobicContact SD-CG2 3.78Å; M136-F288 HydrophobicContact CE-CE2 3.9Å; M136-F288 HydrophobicContact CE-CZ 4.12Å; M136-W290 HydrophobicContact CE-CZ2 4.06Å; M136-W290 HydrophobicContact CG-CZ2 4.11Å; M136-W290 HydrophobicContact SD-CH2 4.47Å; M136-W290 HydrophobicContact SD-CZ2 3.98Å; M136-W460 HydrophobicContact CB-CH2 3.97Å; M136-W460 HydrophobicContact CB-CZ2 3.55Å; M136-W460 HydrophobicContact CG-CH2 4.19Å; M136-W460 HydrophobicContact CG-CZ2 4.28Å
137G96.7Very high96.6Very high0 Ų031.6 Ų31.60%016%0.16CC..  trans-68.9176.6171.800000113.6K141 L144 W460G137-K141 VanDerWaalsContact CA-O 3.26Å; G137-K141 WeakPolarHBondContact CA-O 3.38Å; G137-K141 PolarHBondContact N-O 3.28Å; G137-L144 PolarHBondContact N-O 2.99Å; G137-W460 PolarHBondContact O-NE1 3.42Å; G137-W460 VanDerWaalsContact O-NE1 3.07Å
138L92.8Very high96.4Very high53 Ų5331.3 Ų31.328%0.27716%0.161SC..SBendtrans-104.5155.8171.5-61180000110.7L84 K140 K141L84-L138 HydrophobicContact CB-CD1 4.23Å; L84-L138 HydrophobicContact CD2-CD1 4.25Å; L84-L138 HydrophobicContact CG-CD1 4.07Å; L84-L138 VanDerWaalsContact O-CD1 3.24Å; L84-L138 WeakPolarHBondContact O-CD1 3.32Å; L138-K140 PolarHBondContact O-N 2.86Å; L138-K141 WeakPolarHBondContact O-CB 3.32Å; L138-K141 PolarHBondContact O-N 3.24Å
139G91Very high96.2Very high32 Ų3231.5 Ų31.533%0.3316%0.162SC..G310 helixtrans60.3-132.717100000113K141 G142 H464G139-K141 PolarHBondContact O-N 3.38Å; G139-G142 PolarHBondContact O-N 2.91Å; G139-H464 WeakPolarHBondContact CA-ND1 3.27Å; G139-H464 PolarHBondContact N-CE1 3.19Å; G139-H464 PolarHBondContact N-ND1 3.44Å; G139-H464 VanDerWaalsContact N-ND1 3.12Å; G139-H464 PolarHBondContact N-NE2 3.28Å
140K91.4Very high95.9Very high210 Ų21031.4 Ų31.491%0.91316%0.161SC*.G310 helixtrans-60.8-14.2176.8-60.6-173177.7-169.90114L138L138-K140 PolarHBondContact O-N 2.86Å
141K94.4Very high95.4Very high89 Ų8931.2 Ų31.239%0.38716%0.164SC..G310 helixtrans-97.49.7175.4-64.9160.2154.8-154.30112E83 G137 L138 G139 N143 L144 Y146E83-K141 IonicContact OE1-NZ 3.44Å; E83-K141 PolarHBondContact OE1-NZ 3.08Å; G137-K141 VanDerWaalsContact CA-O 3.26Å; G137-K141 WeakPolarHBondContact CA-O 3.38Å; G137-K141 PolarHBondContact N-O 3.28Å; L138-K141 WeakPolarHBondContact O-CB 3.32Å; L138-K141 PolarHBondContact O-N 3.24Å; G139-K141 PolarHBondContact O-N 3.38Å; K141-N143 PolarHBondContact O-N 3.49Å; K141-N143 VanDerWaalsContact O-N 3.14Å; K141-L144 HydrophobicContact CB-CB 4.42Å; K141-L144 VanDerWaalsContact O-CB 3.27Å; K141-L144 WeakPolarHBondContact O-CB 3.38Å; K141-L144 PolarHBondContact O-N 3.32Å; K141-Y146 VanDerWaalsContact CD-OH 3.23Å; K141-Y146 WeakPolarHBondContact CD-OH 3.38Å; K141-Y146 WeakPolarHBondContact CE-OH 3.28Å; K141-Y146 PolarHBondContact NZ-OH 3.48Å
142G94.1Very high95Very high10 Ų1032.4 Ų32.410%0.10317%0.171CC..THydrogen-bonded Turntrans-62-18.5-175.900000115M136 G139M136-G142 WeakPolarHBondContact CE-O 3.4Å; G139-G142 PolarHBondContact O-N 2.91Å
143N95.6Very high94.9Very high52 Ų5229.7 Ų29.728%0.27816%0.158SC..THydrogen-bonded Turntrans-90.2-4.8172.563.3-35.4000114.2Q111 K141 Y286 F288Q111-N143 PolarHBondContact NE2-O 2.96Å; K141-N143 PolarHBondContact O-N 3.49Å; K141-N143 VanDerWaalsContact O-N 3.14Å; N143-Y286 HydrophobicContact CB-CD1 4.04Å; N143-Y286 HydrophobicContact CB-CG 3.96Å; N143-F288 HydrophobicContact CB-CE2 4.46Å
144L98Very high94.8Very high37 Ų3731.8 Ų31.819%0.19417%0.166CC..  trans-96.4122.7-175.7-168.469000110.6V63 G137 K141 Y146V63-L144 HydrophobicContact CG1-CD1 3.77Å; V63-L144 HydrophobicContact CG1-CD2 4.27Å; G137-L144 PolarHBondContact N-O 2.99Å; K141-L144 HydrophobicContact CB-CB 4.42Å; K141-L144 VanDerWaalsContact O-CB 3.27Å; K141-L144 WeakPolarHBondContact O-CB 3.38Å; K141-L144 PolarHBondContact O-N 3.32Å; L144-Y146 HydrophobicContact CB-CE2 4.07Å; L144-Y146 HydrophobicContact CD2-CE2 3.71Å; L144-Y146 HydrophobicContact CG-CD2 4.47Å; L144-Y146 HydrophobicContact CG-CE2 3.99Å; L144-Y146 WeakPolarHBondContact O-CD2 3.26Å
145V98.6Very high94.7Very high0 Ų036 Ų360%018%0.184CC..EExtended strand (participates in β ladder)trans-76.9132.7170.8-178.70000108.9L108 Q111 M112 R115 F134 L135 M136L108-V145 HydrophobicContact CD2-CG2 3.63Å; Q111-V145 HydrophobicContact CB-CB 4.01Å; Q111-V145 HydrophobicContact CB-CG2 3.95Å; Q111-V145 HydrophobicContact CG-CG2 4.45Å; M112-V145 HydrophobicContact CG-CG1 4.33Å; R115-V145 PolarHBondContact NE-O 2.97Å; R115-V145 PolarHBondContact NH2-O 3.36Å; F134-V145 HydrophobicContact CB-CG1 4.06Å; F134-V145 HydrophobicContact CD1-CG1 3.78Å; F134-V145 HydrophobicContact CG-CG1 4.35Å; L135-V145 CarbonylContact O-C 3.58Å; M136-V145 HydrophobicContact CE-CG2 4.33Å; M136-V145 HydrophobicContact SD-CG2 3.78Å
146Y98.5Very high94.7Very high5 Ų534.7 Ų34.72%0.0218%0.178CC..EExtended strand (participates in β ladder)trans-107.2154.1171.5-75.5-106000109.8G64 P66 L85 F134 L135 K141 L144G64-Y146 VanDerWaalsContact CA-CD1 3.49Å; G64-Y146 VanDerWaalsContact O-CA 3.23Å; G64-Y146 WeakPolarHBondContact O-CA 3.29Å; G64-Y146 WeakPolarHBondContact O-CD1 3.37Å; P66-Y146 HydrophobicContact CG-CD1 4.31Å; L85-Y146 HydrophobicContact CD1-CD1 3.92Å; L85-Y146 HydrophobicContact CD1-CD2 4.35Å; L85-Y146 HydrophobicContact CD1-CG 3.68Å; L85-Y146 HydrophobicContact CD2-CD1 3.83Å; L85-Y146 HydrophobicContact CD2-CD2 3.89Å; L85-Y146 HydrophobicContact CD2-CE1 3.94Å; L85-Y146 HydrophobicContact CD2-CE2 4Å; L85-Y146 HydrophobicContact CD2-CG 3.82Å; L85-Y146 HydrophobicContact CG-CG 4.43Å; F134-Y146 CarbonylContact C-O 3.56Å; F134-Y146 WeakPolarHBondContact CA-O 3.34Å; L135-Y146 PolarHBondContact N-O 3.28Å; L135-Y146 WeakPolarHBondContact O-CB 3.36Å; L135-Y146 PolarHBondContact O-N 3.32Å; K141-Y146 VanDerWaalsContact CD-OH 3.23Å; K141-Y146 WeakPolarHBondContact CD-OH 3.38Å; K141-Y146 WeakPolarHBondContact CE-OH 3.28Å; K141-Y146 PolarHBondContact NZ-OH 3.48Å; L144-Y146 HydrophobicContact CB-CE2 4.07Å; L144-Y146 HydrophobicContact CD2-CE2 3.71Å; L144-Y146 HydrophobicContact CG-CD2 4.47Å; L144-Y146 HydrophobicContact CG-CE2 3.99Å; L144-Y146 WeakPolarHBondContact O-CD2 3.26Å
147I98.2Very high94.7Very high0 Ų036.7 Ų36.70%019%0.185CC..EExtended strand (participates in β ladder)trans-114.1137.7168.9-174.3158000109.5G64 I65 P66 R115 I119 N133 F134 F150G64-I147 PolarHBondContact O-N 3.08Å; I65-I147 HydrophobicContact CD1-CG2 3.67Å; P66-I147 WeakPolarHBondContact CD-O 3.41Å; R115-I147 HydrophobicContact CB-CB 4.19Å; R115-I147 HydrophobicContact CB-CG2 3.93Å; R115-I147 HydrophobicContact CG-CB 4.41Å; R115-I147 HydrophobicContact CG-CG2 4.26Å; I119-I147 HydrophobicContact CD1-CD1 3.55Å; I119-I147 HydrophobicContact CD1-CG1 4.19Å; I119-I147 HydrophobicContact CD1-CG2 3.87Å; N133-I147 WeakPolarHBondContact O-CA 3.3Å; F134-I147 HydrophobicContact CD1-CB 4.24Å; F134-I147 HydrophobicContact CD1-CG1 4.48Å; F134-I147 HydrophobicContact CE1-CB 4.13Å; F134-I147 HydrophobicContact CE1-CD1 3.74Å; F134-I147 HydrophobicContact CE1-CG1 4.14Å; F134-I147 HydrophobicContact CZ-CD1 3.83Å; F134-I147 HydrophobicContact CZ-CG1 4.5Å; I147-F150 HydrophobicContact CG2-CZ 4.32Å
148I95.2Very high94.8Very high36 Ų3639.1 Ų39.119%0.18520%0.198CC..  trans-131.2173.9-175.969.2161.6000111.7P66 L85 H126 N133 L135P66-I148 HydrophobicContact CG-CG2 3.82Å; L85-I148 HydrophobicContact CD1-CG2 3.98Å; H126-I148 PolarHBondContact NE2-O 3.08Å; N133-I148 HydrophobicContact CB-CG1 4.31Å; N133-I148 WeakPolarHBondContact O-CG1 3.28Å; N133-I148 PolarHBondContact O-N 3.47Å; L135-I148 HydrophobicContact CD1-CD1 3.42Å; L135-I148 VanDerWaalsContact CD1-CD1 3.42Å; L135-I148 HydrophobicContact CD1-CG1 3.83Å; L135-I148 HydrophobicContact CD1-CG2 4.41Å; L135-I148 HydrophobicContact CD2-CD1 4.18Å; L135-I148 HydrophobicContact CG-CD1 4.46Å
149D91.6Very high94.9Very high11 Ų1139.3 Ų39.36%0.05921%0.207CC..  trans62.480176.1-160.8-5.6000114.9S19 K38 Y56 H126 G151S19-D149 WeakPolarHBondContact CB-OD2 3.11Å; S19-D149 VanDerWaalsContact OG-CG 3.29Å; S19-D149 PolarHBondContact OG-OD1 3.04Å; S19-D149 VanDerWaalsContact OG-OD1 3.1Å; S19-D149 PolarHBondContact OG-OD2 3.35Å; K38-D149 IonicContact NZ-OD1 2.74Å; Y56-D149 PolarHBondContact OH-N 3.47Å; H126-D149 PolarHBondContact CE1-O 3.26Å; H126-D149 PolarHBondContact NE2-O 3.29Å; D149-G151 VanDerWaalsContact C-N 3.28Å; D149-G151 PolarHBondContact O-N 3Å; D149-G151 PolarHBondContact OD1-N 2.79Å; D149-G151 VanDerWaalsContact OD1-N 3.09Å
150F91.8Very high95.2Very high1 Ų147.5 Ų47.50%0.00423%0.228CC..  trans-87.713.6173.7-62.4-76.8000113.2E52 F55 Y56 I65 I119 H126 I147 L152 A153E52-F150 HydrophobicContact CG-CB 4.18Å; F55-F150 HydrophobicContact CB-CB 3.84Å; F55-F150 HydrophobicContact CB-CG 4.28Å; F55-F150 HydrophobicContact CD1-CB 4.34Å; F55-F150 HydrophobicContact CG-CB 4.15Å; Y56-F150 HydrophobicContact CD1-CD2 4.01Å; Y56-F150 AromaticContact CD1-CE2 3.9Å; Y56-F150 HydrophobicContact CD1-CE2 3.9Å; Y56-F150 HydrophobicContact CD2-CD2 4.19Å; Y56-F150 AromaticContact CE1-CD2 3.68Å; Y56-F150 HydrophobicContact CE1-CD2 3.68Å; Y56-F150 AromaticContact CE1-CE2 3.54Å; Y56-F150 HydrophobicContact CE1-CE2 3.54Å; Y56-F150 AromaticContact CE2-CD2 3.89Å; Y56-F150 HydrophobicContact CE2-CD2 3.89Å; Y56-F150 HydrophobicContact CG-CD2 4.24Å; Y56-F150 AromaticContact CZ-CD2 3.61Å; Y56-F150 AromaticContact CZ-CE2 3.92Å; I65-F150 HydrophobicContact CD1-CZ 4.1Å; I119-F150 HydrophobicContact CD1-CE1 3.67Å; I119-F150 HydrophobicContact CD1-CZ 4.16Å; I119-F150 HydrophobicContact CG1-CE1 3.87Å; I119-F150 HydrophobicContact CG1-CZ 4.32Å; H126-F150 AromaticContact CD2-CD1 4Å; H126-F150 AromaticContact CD2-CE1 3.9Å; I147-F150 HydrophobicContact CG2-CZ 4.32Å; F150-L152 PolarHBondContact O-N 2.88Å; F150-A153 HydrophobicContact CB-CB 3.96Å; F150-A153 HydrophobicContact CD1-CB 4.05Å; F150-A153 VanDerWaalsContact O-CB 3.29Å; F150-A153 WeakPolarHBondContact O-CB 3.29Å; F150-A153 PolarHBondContact O-N 2.81Å
151G87.7Confident95.5Very high14 Ų1440.6 Ų40.614%0.14420%0.204CC..THydrogen-bonded Turntrans-60.3-34.3-178.700000112.4Q48 D149Q48-G151 PolarHBondContact OE1-O 2.74Å; D149-G151 VanDerWaalsContact C-N 3.28Å; D149-G151 PolarHBondContact O-N 3Å; D149-G151 PolarHBondContact OD1-N 2.79Å; D149-G151 VanDerWaalsContact OD1-N 3.09Å
152L91.3Very high95.6Very high25 Ų2541.2 Ų41.213%0.13121%0.208CC..THydrogen-bonded Turntrans-92.32.6174.8-64.8179.5000113.8F20 H126 R127 D128 F150 T174F20-L152 HydrophobicContact CE2-CD2 4.27Å; F20-L152 HydrophobicContact CE2-CG 4.33Å; F20-L152 HydrophobicContact CZ-CD2 3.78Å; F20-L152 HydrophobicContact CZ-CG 4.26Å; H126-L152 CarbonylContact O-C 3.52Å; R127-L152 PolarHBondContact NE-O 3.11Å; R127-L152 PolarHBondContact NH2-O 3.29Å; D128-L152 HydrophobicContact CB-CB 4.37Å; D128-L152 HydrophobicContact CB-CD1 3.81Å; F150-L152 PolarHBondContact O-N 2.88Å; L152-T174 HydrophobicContact CD1-CG2 4.22Å; L152-T174 HydrophobicContact CD2-CG2 3.87Å; L152-T174 HydrophobicContact CG-CG2 4.45Å
153A94.3Very high95.8Very high10 Ų1047.8 Ų47.88%0.08324%0.236CC..  trans-68153.1-177.200000112.6F55 I125 F150F55-A153 HydrophobicContact CD1-CB 3.85Å; F55-A153 HydrophobicContact CE1-CB 3.39Å; F55-A153 HydrophobicContact CZ-CB 3.9Å; I125-A153 CarbonylContact O-C 3.51Å; I125-A153 WeakPolarHBondContact O-CA 3.31Å; I125-A153 WeakPolarHBondContact O-CB 3.27Å; F150-A153 HydrophobicContact CB-CB 3.96Å; F150-A153 HydrophobicContact CD1-CB 4.05Å; F150-A153 VanDerWaalsContact O-CB 3.29Å; F150-A153 WeakPolarHBondContact O-CB 3.29Å; F150-A153 PolarHBondContact O-N 2.81Å
154K94.6Very high96Very high54 Ų5447 Ų4724%0.23523%0.23CC..EExtended strand (participates in β ladder)trans-146142.7-178.8-179174170.6-177.20112.2F124 I125 Y156 E189F124-K154 CarbonylContact C-O 3.21Å; F124-K154 VanDerWaalsContact CA-O 3.28Å; F124-K154 WeakPolarHBondContact CA-O 3.45Å; I125-K154 HydrophobicContact CG1-CB 4.22Å; I125-K154 VanDerWaalsContact CG1-O 3.3Å; I125-K154 WeakPolarHBondContact CG1-O 3.37Å; I125-K154 PolarHBondContact N-O 2.89Å; I125-K154 PolarHBondContact O-N 2.98Å; K154-Y156 PolarHBondContact O-N 2.77Å; K154-E189 IonicContact NZ-OE1 2.7Å; K154-E189 PolarHBondContact NZ-OE1 3.2Å; K154-E189 IonicContact NZ-OE2 3.69Å; K154-E189 PolarHBondContact NZ-OE2 2.92Å
155K96.9Very high96Very high87 Ų8747 Ų4738%0.37823%0.23SC..EExtended strand (participates in β ladder)trans-69.4123.2174.7-170.4175.5172.8-171.50109.3N123 F124 R157 D158N123-K155 WeakPolarHBondContact O-CA 3.12Å; F124-K155 HydrophobicContact CD1-CB 3.89Å; F124-K155 HydrophobicContact CE1-CB 3.69Å; F124-K155 HydrophobicContact CE1-CG 4.26Å; K155-R157 WeakPolarHBondContact CE-O 3.43Å; K155-R157 VanDerWaalsContact CG-O 3.26Å; K155-R157 WeakPolarHBondContact CG-O 3.25Å; K155-D158 IonicContact NZ-OD2 3.73Å; K155-D158 PolarHBondContact NZ-OD2 3.4Å; K155-D158 VanDerWaalsContact NZ-OD2 3.16Å
156Y98.4Very high96Very high3 Ų351 Ų511%0.01226%0.256CS..  trans-104.8-16-179.180.2-89.5000113.3H120 N123 I125 K154 H164 I165 R192H120-Y156 HydrophobicContact CB-CE1 4.43Å; H120-Y156 VanDerWaalsContact O-CE1 3.29Å; H120-Y156 WeakPolarHBondContact O-CE1 3.45Å; H120-Y156 PolarHBondContact O-OH 2.92Å; N123-Y156 WeakPolarHBondContact O-CD1 3.01Å; N123-Y156 PolarHBondContact O-N 3.43Å; I125-Y156 HydrophobicContact CG2-CD1 3.87Å; I125-Y156 HydrophobicContact CG2-CG 4.06Å; K154-Y156 PolarHBondContact O-N 2.77Å; Y156-H164 AromaticContact CD2-CD2 3.53Å; Y156-H164 AromaticContact CD2-NE2 3.49Å; Y156-H164 WeakPolarHBondContact CD2-NE2 3.38Å; Y156-H164 AromaticContact CE2-CD2 3.97Å; Y156-H164 CarbonylContact O-C 3.59Å; Y156-I165 WeakPolarHBondContact O-CG1 3.43Å; Y156-I165 WeakPolarHBondContact O-CG2 3.17Å; Y156-I165 PolarHBondContact O-N 2.82Å; Y156-R192 HydrophobicContact CD1-CG 4.48Å; Y156-R192 HydrophobicContact CD2-CG 4.24Å; Y156-R192 HydrophobicContact CE1-CG 4.2Å; Y156-R192 HydrophobicContact CE2-CG 3.96Å
157R98.1Very high96Very high41 Ų4155.7 Ų55.716%0.15527%0.274CS..BIsolated β-bridgetrans-145155.1174.367.8178.2-178.7-175.4-1.6111.3S121 N123 K155 H162 Q163S121-R157 PolarHBondContact O-NH2 3.34Å; S121-R157 VanDerWaalsContact O-NH2 3.14Å; N123-R157 HydrophobicContact CB-CG 3.82Å; N123-R157 PolarHBondContact OD1-NE 3.18Å; N123-R157 PolarHBondContact OD1-NH2 3.42Å; K155-R157 WeakPolarHBondContact CE-O 3.43Å; K155-R157 VanDerWaalsContact CG-O 3.26Å; K155-R157 WeakPolarHBondContact CG-O 3.25Å; R157-H162 PolarHBondContact NE-ND1 3.46Å; R157-Q163 CarbonylContact C-O 3.59Å; R157-Q163 WeakPolarHBondContact CA-O 3.47Å; R157-Q163 WeakPolarHBondContact CB-O 3.29Å
158D97.8Very high96Very high52 Ų5262.5 Ų62.528%0.27830%0.3SS..  trans-64.8143.2172.1-177.3-113.7000111.8K155 R160 T161 H162 Q163K155-D158 IonicContact NZ-OD2 3.73Å; K155-D158 PolarHBondContact NZ-OD2 3.4Å; K155-D158 VanDerWaalsContact NZ-OD2 3.16Å; D158-R160 PolarHBondContact OD1-N 3.23Å; D158-T161 VanDerWaalsContact CB-OG1 3.26Å; D158-T161 WeakPolarHBondContact CB-OG1 3.46Å; D158-T161 PolarHBondContact OD1-N 2.88Å; D158-T161 PolarHBondContact OD1-OG1 3.35Å; D158-H162 WeakPolarHBondContact O-CA 3.3Å; D158-H162 PolarHBondContact O-N 2.73Å; D158-Q163 PolarHBondContact N-O 2.65Å
159A95.7Very high96.1Very high56 Ų5666.3 Ų66.346%0.46332%0.317SS..THydrogen-bonded Turntrans-76.3-26.1-173.900000112.5
160R96.7Very high96.3Very high205 Ų20573 Ų7377%0.77435%0.353SS*.THydrogen-bonded Turntrans-95.7-46.4-178-177.6-177.463.180.60.1111.8D158D158-R160 PolarHBondContact OD1-N 3.23Å
161T97.7Very high96.5Very high64 Ų6476.4 Ų76.439%0.39337%0.368SS..THydrogen-bonded Turntrans-93.1-12.6-175.261.30000113.4D158 Q163D158-T161 VanDerWaalsContact CB-OG1 3.26Å; D158-T161 WeakPolarHBondContact CB-OG1 3.46Å; D158-T161 PolarHBondContact OD1-N 2.88Å; D158-T161 PolarHBondContact OD1-OG1 3.35Å; T161-Q163 PolarHBondContact O-N 3.21Å; T161-Q163 WeakPolarHBondContact OG1-CB 3.36Å; T161-Q163 PolarHBondContact OG1-N 3.02Å
162H97.5Very high96.8Very high103 Ų10380.9 Ų80.948%0.47739%0.388SS..  trans54.415.6-169.5-64.6-53.7000114.8R157 D158 H164R157-H162 PolarHBondContact NE-ND1 3.46Å; D158-H162 WeakPolarHBondContact O-CA 3.3Å; D158-H162 PolarHBondContact O-N 2.73Å; H162-H164 PolarHBondContact O-N 3.46Å
163Q98.3Very high96.8Very high147 Ų14781.9 Ų81.969%0.68739%0.393SS*.PPolyproline II helixtrans-63122.9175.1-173.7177.634.800109.8R157 D158 T161R157-Q163 CarbonylContact C-O 3.59Å; R157-Q163 WeakPolarHBondContact CA-O 3.47Å; R157-Q163 WeakPolarHBondContact CB-O 3.29Å; D158-Q163 PolarHBondContact N-O 2.65Å; T161-Q163 PolarHBondContact O-N 3.21Å; T161-Q163 WeakPolarHBondContact OG1-CB 3.36Å; T161-Q163 PolarHBondContact OG1-N 3.02Å
164H98.8Very high96.7Very high35 Ų3583.2 Ų83.216%0.16240%0.401CS..BIsolated β-bridgetrans-69.1148.6178.6-159.9-84.3000111.1Y156 H162 R192 F260 D261Y156-H164 AromaticContact CD2-CD2 3.53Å; Y156-H164 AromaticContact CD2-NE2 3.49Å; Y156-H164 WeakPolarHBondContact CD2-NE2 3.38Å; Y156-H164 AromaticContact CE2-CD2 3.97Å; Y156-H164 CarbonylContact O-C 3.59Å; H162-H164 PolarHBondContact O-N 3.46Å; H164-R192 PolarHBondContact CD2-NH2 2.62Å; H164-F260 AromaticContact CE1-CD1 3.93Å; H164-F260 AromaticContact CE1-CE1 3.55Å; H164-F260 AromaticContact CE1-CZ 3.76Å; H164-F260 PolarHBondContact CE1-O 2.86Å; H164-F260 AromaticContact ND1-CE1 3.58Å; H164-F260 PolarHBondContact NE2-O 3.17Å; H164-D261 HydrophobicContact CB-CB 4.17Å
165I98.6Very high96.6Very high39 Ų3981.3 Ų81.320%0.240%0.397CS..PPolyproline II helixtrans-58.7149.117058172.6000110Y156 E189 F260Y156-I165 WeakPolarHBondContact O-CG1 3.43Å; Y156-I165 WeakPolarHBondContact O-CG2 3.17Å; Y156-I165 PolarHBondContact O-N 2.82Å; I165-E189 HydrophobicContact CD1-CG 4.01Å; I165-F260 HydrophobicContact CD1-CZ 4.32Å; I165-F260 HydrophobicContact CG1-CZ 4.07Å; I165-F260 VanDerWaalsContact O-CE1 3.32Å; I165-F260 WeakPolarHBondContact O-CE1 3.13Å
166P98.3Very high96.5Very high82 Ų8278 Ų7853%0.53238%0.384SS..PPolyproline II helixtrans-69.9151.3177.829.4-35.7000111.4
167Y98.6Very high96.4Very high104 Ų10478.1 Ų78.141%0.40839%0.385SS..PPolyproline II helixtrans-61.4138.2171-176.2-94000110.7E169 I188 F260Y167-E169 HydrophobicContact CD1-CG 4.48Å; Y167-E169 HydrophobicContact CE1-CG 3.55Å; Y167-E169 WeakPolarHBondContact CE1-OE1 3.21Å; Y167-I188 HydrophobicContact CD2-CG2 4.28Å; Y167-I188 HydrophobicContact CE2-CG2 3.42Å; Y167-I188 VanDerWaalsContact CE2-CG2 3.42Å; Y167-I188 WeakPolarHBondContact OH-CD1 3.45Å; Y167-I188 WeakPolarHBondContact OH-CG1 3.4Å; Y167-F260 HydrophobicContact CD2-CB 4.03Å; Y167-F260 HydrophobicContact CD2-CD1 4Å; Y167-F260 HydrophobicContact CD2-CD2 4.04Å; Y167-F260 HydrophobicContact CD2-CE1 4.46Å; Y167-F260 AromaticContact CD2-CG 3.75Å; Y167-F260 HydrophobicContact CD2-CG 3.75Å
168R98.1Very high96.4Very high143 Ų14379.3 Ų79.354%0.5439%0.389SS..  trans-146.1146.7177.1-60.8-177.4-179.3-169.3-0.2110.2K171 E189R168-K171 HydrophobicContact CB-CD 4.49Å; R168-E189 HydrophobicContact CB-CB 4.1Å; R168-E189 WeakPolarHBondContact O-CB 3.48Å; R168-E189 PolarHBondContact O-N 3.27Å
169E97.8Very high96.4Very high116 Ų11676.9 Ų76.954%0.54238%0.376SS..  trans-112.6-175.9174-62.1177.5-160.600110.6Y167 K171 G187Y167-E169 HydrophobicContact CD1-CG 4.48Å; Y167-E169 HydrophobicContact CE1-CG 3.55Å; Y167-E169 WeakPolarHBondContact CE1-OE1 3.21Å; E169-K171 PolarHBondContact O-N 2.85Å; E169-G187 CarbonylContact C-O 3.58Å; E169-G187 WeakPolarHBondContact CA-O 3.17Å
170N95.9Very high96.5Very high153 Ų15374.6 Ų74.682%0.81836%0.357SS*.SBendtrans5833.5178.9-55.8-61.3000113.7G187N170-G187 PolarHBondContact N-O 2.98Å
171K96.3Very high96.6Very high71 Ų7164.8 Ų64.831%0.30932%0.32SS..PPolyproline II helixtrans-81.7146.5172.5-55.3-61.4-60.5-159.50110.3R168 E169 G187 E189R168-K171 HydrophobicContact CB-CD 4.49Å; E169-K171 PolarHBondContact O-N 2.85Å; K171-G187 VanDerWaalsContact CB-O 3.32Å; K171-G187 WeakPolarHBondContact CB-O 3.46Å; K171-G187 WeakPolarHBondContact CG-O 3.2Å; K171-G187 PolarHBondContact N-O 2.96Å; K171-G187 VanDerWaalsContact O-CA 3.23Å; K171-G187 WeakPolarHBondContact O-CA 3.45Å; K171-E189 VanDerWaalsContact CE-OE2 3.23Å; K171-E189 WeakPolarHBondContact CE-OE2 3.19Å; K171-E189 HydrophobicContact CG-CB 4.15Å; K171-E189 IonicContact NZ-OE1 2.95Å; K171-E189 IonicContact NZ-OE2 3.36Å; K171-E189 PolarHBondContact NZ-OE2 3.03Å
172N93.1Very high96.7Very high108 Ų10862.9 Ų62.958%0.57831%0.308SS*.PPolyproline II helixtrans-72.9145.1169.4-65.3-30.5000110.3T174N172-T174 PolarHBondContact O-N 2.83Å; N172-T174 VanDerWaalsContact O-N 3.16Å; N172-T174 PolarHBondContact O-OG1 3.12Å
173L92.1Very high96.7Very high46 Ų4659.4 Ų59.424%0.24129%0.292CS..PPolyproline II helixtrans-56.5121171.2-172.9152.5000109.1G175 A177 T184 H185 Y225L173-G175 WeakPolarHBondContact CD2-O 3.44Å; L173-A177 HydrophobicContact CD1-CB 4.2Å; L173-A177 HydrophobicContact CD2-CB 4.25Å; L173-T184 HydrophobicContact CG-CG2 4.31Å; L173-H185 WeakPolarHBondContact CD1-ND1 3.43Å; L173-Y225 HydrophobicContact CD1-CD2 4.2Å; L173-Y225 HydrophobicContact CD1-CG 4.28Å; L173-Y225 HydrophobicContact CD2-CD2 4.39Å; L173-Y225 HydrophobicContact CD2-CE2 4.14Å
174T91.5Very high96.7Very high39 Ų3952.6 Ų52.624%0.23926%0.261CS..  trans-120.8134.9178.7-55.40000108.2L152 N172 Q190L152-T174 HydrophobicContact CD1-CG2 4.22Å; L152-T174 HydrophobicContact CD2-CG2 3.87Å; L152-T174 HydrophobicContact CG-CG2 4.45Å; N172-T174 PolarHBondContact O-N 2.83Å; N172-T174 VanDerWaalsContact O-N 3.16Å; N172-T174 PolarHBondContact O-OG1 3.12Å; T174-Q190 PolarHBondContact O-NE2 3.18Å
175G92.2Very high96.6Very high14 Ų1452.3 Ų52.314%0.14426%0.26CS..SBendtrans91.8-178.7-175.200000113.7D128 L173 A177D128-G175 VanDerWaalsContact OD1-CA 3.27Å; D128-G175 WeakPolarHBondContact OD1-CA 3.3Å; L173-G175 WeakPolarHBondContact CD2-O 3.44Å; G175-A177 PolarHBondContact O-N 3.36Å
176T94.8Very high96.5Very high18 Ų1855.1 Ų55.111%0.1128%0.275CS..  trans-75.4114.4-177.6-60.30000112.1D128 K130 R178 Y179 A180 E438D128-T176 PolarHBondContact OD1-N 3.1Å; D128-T176 PolarHBondContact OD1-OG1 2.85Å; K130-T176 VanDerWaalsContact CD-OG1 3.24Å; K130-T176 WeakPolarHBondContact CD-OG1 3.48Å; K130-T176 PolarHBondContact NZ-OG1 2.99Å; K130-T176 VanDerWaalsContact NZ-OG1 3.1Å; T176-R178 HydrophobicContact CG2-CB 4.11Å; T176-R178 PolarHBondContact O-N 3.04Å; T176-Y179 HydrophobicContact CG2-CD2 3.97Å; T176-Y179 HydrophobicContact CG2-CE2 4.22Å; T176-Y179 PolarHBondContact O-N 3.05Å; T176-A180 PolarHBondContact O-N 3.32Å; T176-A180 VanDerWaalsContact O-N 3.1Å; T176-E438 PolarHBondContact OG1-OE1 3.01Å; T176-E438 VanDerWaalsContact OG1-OE1 3.09Å
177A96.7Very high96.5Very high4 Ų451.6 Ų51.63%0.03325%0.253CS..THydrogen-bonded Turntrans-52.7-28.7-175.800000115.4L173 G175 Y179 H185 Y225 I228 K232L173-A177 HydrophobicContact CD1-CB 4.2Å; L173-A177 HydrophobicContact CD2-CB 4.25Å; G175-A177 PolarHBondContact O-N 3.36Å; A177-Y179 VanDerWaalsContact C-N 3.31Å; A177-Y179 PolarHBondContact O-N 2.74Å; A177-H185 PolarHBondContact O-NE2 3.17Å; A177-Y225 HydrophobicContact CB-CD1 3.47Å; A177-Y225 VanDerWaalsContact CB-CD1 3.47Å; A177-Y225 HydrophobicContact CB-CE1 3.42Å; A177-Y225 VanDerWaalsContact CB-CE1 3.42Å; A177-Y225 HydrophobicContact CB-CG 4.22Å; A177-I228 HydrophobicContact CB-CD1 4.23Å; A177-K232 PolarHBondContact O-NZ 2.88Å
178R97.9Very high96.5Very high66 Ų6647.6 Ų47.625%0.24924%0.238CC..THydrogen-bonded Turntrans-58.9-41.3177.1-169.9-172.4-58.2138.92.1111.6T176 L211 W213 Q214 K232T176-R178 HydrophobicContact CG2-CB 4.11Å; T176-R178 PolarHBondContact O-N 3.04Å; R178-L211 HydrophobicContact CG-CD1 4.12Å; R178-W213 PolarHBondContact O-NE1 3Å; R178-Q214 HydrophobicContact CG-CG 4.12Å; R178-K232 WeakPolarHBondContact O-CE 3.45Å; R178-K232 PolarHBondContact O-NZ 3.35Å
179Y98.5Very high96.5Very high2 Ų241.1 Ų41.11%0.00821%0.214CC..THydrogen-bonded Turntrans-106-13.3-174.6-48.3-68.9000113V129 K130 P131 T176 A177 S198 Y201 V202 Y205 L211V129-Y179 WeakPolarHBondContact O-CB 3.15Å; K130-Y179 HydrophobicContact CB-CD2 3.4Å; K130-Y179 VanDerWaalsContact CB-CD2 3.4Å; K130-Y179 HydrophobicContact CB-CE2 3.53Å; K130-Y179 HydrophobicContact CB-CG 4.33Å; P131-Y179 WeakPolarHBondContact CD-OH 3.22Å; P131-Y179 HydrophobicContact CG-CE1 4.43Å; T176-Y179 HydrophobicContact CG2-CD2 3.97Å; T176-Y179 HydrophobicContact CG2-CE2 4.22Å; T176-Y179 PolarHBondContact O-N 3.05Å; A177-Y179 VanDerWaalsContact C-N 3.31Å; A177-Y179 PolarHBondContact O-N 2.74Å; Y179-S198 VanDerWaalsContact O-CA 3.29Å; Y179-S198 WeakPolarHBondContact O-CA 3.27Å; Y179-S198 VanDerWaalsContact O-CB 3.31Å; Y179-S198 WeakPolarHBondContact O-CB 3.45Å; Y179-S198 PolarHBondContact O-OG 2.97Å; Y179-S198 VanDerWaalsContact O-OG 3.12Å; Y179-Y201 VanDerWaalsContact O-CD2 3.3Å; Y179-Y201 WeakPolarHBondContact O-CD2 3.08Å; Y179-V202 HydrophobicContact CD1-CG2 3.71Å; Y179-V202 HydrophobicContact CE1-CG2 4.12Å; Y179-V202 HydrophobicContact CG-CG2 4.04Å; Y179-Y205 HydrophobicContact CE1-CD1 4.46Å; Y179-Y205 HydrophobicContact CE1-CG 4.23Å; Y179-L211 HydrophobicContact CD1-CD1 4.13Å; Y179-L211 HydrophobicContact CE1-CD1 4.12Å
180A98.3Very high96.5Very high7 Ų736 Ų366%0.05819%0.19CC..  trans-53.4140.5179.400000114.1T176 T184 K232T176-A180 PolarHBondContact O-N 3.32Å; T176-A180 VanDerWaalsContact O-N 3.1Å; A180-T184 HydrophobicContact CB-CG2 4.03Å; A180-K232 PolarHBondContact O-NZ 3.46Å
181S98.6Very high96.7Very high0 Ų028.8 Ų28.80%015%0.152CC..  trans-59.2158.5175.369.20000112.6N183 T184 H185 D194 E197S181-N183 VanDerWaalsContact C-N 3.26Å; S181-N183 PolarHBondContact O-N 2.85Å; S181-T184 WeakPolarHBondContact O-CB 3.16Å; S181-T184 PolarHBondContact O-N 3.1Å; S181-T184 VanDerWaalsContact O-N 3.15Å; S181-T184 WeakPolarHBondContact OG-CB 3.4Å; S181-T184 PolarHBondContact OG-N 2.81Å; S181-T184 VanDerWaalsContact OG-N 3.08Å; S181-T184 PolarHBondContact OG-OG1 2.93Å; S181-H185 PolarHBondContact O-CD2 3.48Å; S181-H185 PolarHBondContact O-N 3.17Å; S181-D194 WeakPolarHBondContact CB-OD1 3.25Å; S181-D194 PolarHBondContact OG-OD1 3.09Å; S181-E197 WeakPolarHBondContact CA-OE1 3.26Å
182I98.3Very high96.8Very high24 Ų2426.1 Ų26.112%0.12314%0.14CC..Hα-helixtrans-58.3-41.7172.7-71.3-176.1000110.7T184 H185 L186 E197 K232 M233 R256I182-T184 VanDerWaalsContact C-N 3.26Å; I182-T184 PolarHBondContact O-N 3.37Å; I182-H185 WeakPolarHBondContact O-CB 3.21Å; I182-H185 PolarHBondContact O-N 3.21Å; I182-H185 VanDerWaalsContact O-N 3.09Å; I182-L186 HydrophobicContact CG2-CD1 3.92Å; I182-L186 HydrophobicContact CG2-CG 4.33Å; I182-L186 WeakPolarHBondContact O-CG 3.39Å; I182-L186 PolarHBondContact O-N 3.16Å; I182-E197 PolarHBondContact N-OE1 2.98Å; I182-K232 HydrophobicContact CG1-CB 4.26Å; I182-M233 HydrophobicContact CD1-CG 4.22Å; I182-M233 HydrophobicContact CG2-CE 3.96Å; I182-M233 HydrophobicContact CG2-CG 4.01Å; I182-R256 VanDerWaalsContact CD1-CZ 3.43Å
183N98.3Very high97.1Very high29 Ų2922.3 Ų22.316%0.15512%0.117CC..Hα-helixtrans-58.3-38.4177-68.1-43.6000112.3S181 H185 L186 G187 I188 R193 D194S181-N183 VanDerWaalsContact C-N 3.26Å; S181-N183 PolarHBondContact O-N 2.85Å; N183-H185 VanDerWaalsContact C-N 3.35Å; N183-H185 PolarHBondContact O-N 3.47Å; N183-L186 CarbonylContact O-C 3.45Å; N183-L186 PolarHBondContact O-N 3.36Å; N183-G187 PolarHBondContact O-N 2.91Å; N183-I188 HydrophobicContact CB-CB 4.13Å; N183-I188 HydrophobicContact CB-CD1 4.25Å; N183-I188 HydrophobicContact CB-CG2 4.48Å; N183-I188 WeakPolarHBondContact O-CB 3.31Å; N183-I188 PolarHBondContact O-N 2.71Å; N183-R193 PolarHBondContact ND2-NE 2.92Å; N183-R193 PolarHBondContact ND2-NH2 3.47Å; N183-D194 WeakPolarHBondContact CB-OD1 3.43Å
184T98Very high97.4Very high5 Ų520.1 Ų20.13%0.03111%0.106CC..Hα-helixtrans-63.8-40.9176.3-59.30000111.7L173 A180 S181 I182 L186 G187 Q190L173-T184 HydrophobicContact CG-CG2 4.31Å; A180-T184 HydrophobicContact CB-CG2 4.03Å; S181-T184 WeakPolarHBondContact O-CB 3.16Å; S181-T184 PolarHBondContact O-N 3.1Å; S181-T184 VanDerWaalsContact O-N 3.15Å; S181-T184 WeakPolarHBondContact OG-CB 3.4Å; S181-T184 PolarHBondContact OG-N 2.81Å; S181-T184 VanDerWaalsContact OG-N 3.08Å; S181-T184 PolarHBondContact OG-OG1 2.93Å; I182-T184 VanDerWaalsContact C-N 3.26Å; I182-T184 PolarHBondContact O-N 3.37Å; T184-L186 VanDerWaalsContact C-N 3.29Å; T184-L186 PolarHBondContact O-N 2.7Å; T184-G187 PolarHBondContact O-N 2.74Å; T184-Q190 HydrophobicContact CG2-CG 4.44Å; T184-Q190 VanDerWaalsContact OG1-CG 3.29Å; T184-Q190 WeakPolarHBondContact OG1-CG 3.21Å; T184-Q190 PolarHBondContact OG1-NE2 3.31Å
185H97.4Very high97.7Very high29 Ų2918.3 Ų18.313%0.1349%0.094CC..Hα-helixtrans-65.3-32.6174.6-80.3-75.2000112.6L173 A177 S181 I182 N183 G187 S229L173-H185 WeakPolarHBondContact CD1-ND1 3.43Å; A177-H185 PolarHBondContact O-NE2 3.17Å; S181-H185 PolarHBondContact O-CD2 3.48Å; S181-H185 PolarHBondContact O-N 3.17Å; I182-H185 WeakPolarHBondContact O-CB 3.21Å; I182-H185 PolarHBondContact O-N 3.21Å; I182-H185 VanDerWaalsContact O-N 3.09Å; N183-H185 VanDerWaalsContact C-N 3.35Å; N183-H185 PolarHBondContact O-N 3.47Å; H185-G187 PolarHBondContact O-N 3.29Å; H185-S229 WeakPolarHBondContact CB-OG 3.48Å
186L96.9Very high98.1Very high98 Ų9817.6 Ų17.651%0.5139%0.088SC..THydrogen-bonded Turntrans-771175-66.3173.9000113.7I182 N183 T184 I188 M233I182-L186 HydrophobicContact CG2-CD1 3.92Å; I182-L186 HydrophobicContact CG2-CG 4.33Å; I182-L186 WeakPolarHBondContact O-CG 3.39Å; I182-L186 PolarHBondContact O-N 3.16Å; N183-L186 CarbonylContact O-C 3.45Å; N183-L186 PolarHBondContact O-N 3.36Å; T184-L186 VanDerWaalsContact C-N 3.29Å; T184-L186 PolarHBondContact O-N 2.7Å; L186-I188 VanDerWaalsContact C-N 3.29Å; L186-I188 HydrophobicContact CB-CD1 4.13Å; L186-I188 HydrophobicContact CB-CG1 4.23Å; L186-I188 HydrophobicContact CD1-CD1 4.42Å; L186-I188 PolarHBondContact O-N 2.75Å; L186-M233 HydrophobicContact CD1-CE 4.33Å; L186-M233 HydrophobicContact CD2-CE 3.34Å; L186-M233 HydrophobicContact CD2-SD 4.35Å; L186-M233 HydrophobicContact CG-CE 3.68Å
187G97.3Very high98.3Very high7 Ų716.9 Ų16.97%0.0728%0.083CC..THydrogen-bonded Turntrans71.623.5-179.700000113.6E169 N170 K171 N183 T184 H185E169-G187 CarbonylContact C-O 3.58Å; E169-G187 WeakPolarHBondContact CA-O 3.17Å; N170-G187 PolarHBondContact N-O 2.98Å; K171-G187 VanDerWaalsContact CB-O 3.32Å; K171-G187 WeakPolarHBondContact CB-O 3.46Å; K171-G187 WeakPolarHBondContact CG-O 3.2Å; K171-G187 PolarHBondContact N-O 2.96Å; K171-G187 VanDerWaalsContact O-CA 3.23Å; K171-G187 WeakPolarHBondContact O-CA 3.45Å; N183-G187 PolarHBondContact O-N 2.91Å; T184-G187 PolarHBondContact O-N 2.74Å; H185-G187 PolarHBondContact O-N 3.29Å
188I98.3Very high98.4Very high21 Ų2117 Ų1711%0.1088%0.084CC..PPolyproline II helixtrans-83.3140.4173.5-60.9169000108.6Y167 N183 L186 Q190Y167-I188 HydrophobicContact CD2-CG2 4.28Å; Y167-I188 HydrophobicContact CE2-CG2 3.42Å; Y167-I188 VanDerWaalsContact CE2-CG2 3.42Å; Y167-I188 WeakPolarHBondContact OH-CD1 3.45Å; Y167-I188 WeakPolarHBondContact OH-CG1 3.4Å; N183-I188 HydrophobicContact CB-CB 4.13Å; N183-I188 HydrophobicContact CB-CD1 4.25Å; N183-I188 HydrophobicContact CB-CG2 4.48Å; N183-I188 WeakPolarHBondContact O-CB 3.31Å; N183-I188 PolarHBondContact O-N 2.71Å; L186-I188 VanDerWaalsContact C-N 3.29Å; L186-I188 HydrophobicContact CB-CD1 4.13Å; L186-I188 HydrophobicContact CB-CG1 4.23Å; L186-I188 HydrophobicContact CD1-CD1 4.42Å; L186-I188 PolarHBondContact O-N 2.75Å; I188-Q190 PolarHBondContact O-N 3.17Å
189E98.3Very high98.4Very high6 Ų613.9 Ų13.93%0.0287%0.072CC..PPolyproline II helixtrans-56.4132.6174.5-170.276-103.100110.2K154 I165 R168 K171 F260K154-E189 IonicContact NZ-OE1 2.7Å; K154-E189 PolarHBondContact NZ-OE1 3.2Å; K154-E189 IonicContact NZ-OE2 3.69Å; K154-E189 PolarHBondContact NZ-OE2 2.92Å; I165-E189 HydrophobicContact CD1-CG 4.01Å; R168-E189 HydrophobicContact CB-CB 4.1Å; R168-E189 WeakPolarHBondContact O-CB 3.48Å; R168-E189 PolarHBondContact O-N 3.27Å; K171-E189 VanDerWaalsContact CE-OE2 3.23Å; K171-E189 WeakPolarHBondContact CE-OE2 3.19Å; K171-E189 HydrophobicContact CG-CB 4.15Å; K171-E189 IonicContact NZ-OE1 2.95Å; K171-E189 IonicContact NZ-OE2 3.36Å; K171-E189 PolarHBondContact NZ-OE2 3.03Å; E189-F260 HydrophobicContact CB-CE2 4.3Å; E189-F260 HydrophobicContact CB-CZ 4.42Å; E189-F260 HydrophobicContact CG-CZ 4.47Å; E189-F260 WeakPolarHBondContact O-CE2 3.28Å
190Q98.7Very high98.4Very high10 Ų1013.9 Ų13.95%0.0477%0.072CC..PPolyproline II helixtrans-73.9150.8-179.1-68.7-178.53900111.3I125 R127 T174 T184 I188 D194I125-Q190 HydrophobicContact CD1-CB 3.96Å; I125-Q190 VanDerWaalsContact CD1-O 3.23Å; I125-Q190 WeakPolarHBondContact CD1-O 3.41Å; R127-Q190 VanDerWaalsContact CA-OE1 3.3Å; R127-Q190 VanDerWaalsContact CB-OE1 3.23Å; R127-Q190 HydrophobicContact CG-CB 4.3Å; R127-Q190 VanDerWaalsContact CG-OE1 3.3Å; T174-Q190 PolarHBondContact O-NE2 3.18Å; T184-Q190 HydrophobicContact CG2-CG 4.44Å; T184-Q190 VanDerWaalsContact OG1-CG 3.29Å; T184-Q190 WeakPolarHBondContact OG1-CG 3.21Å; T184-Q190 PolarHBondContact OG1-NE2 3.31Å; I188-Q190 PolarHBondContact O-N 3.17Å; Q190-D194 WeakPolarHBondContact CA-OD2 3.28Å; Q190-D194 HydrophobicContact CB-CB 4.2Å; Q190-D194 HydrophobicContact CG-CB 4.19Å
191S98.7Very high98.5Very high1 Ų113.5 Ų13.51%0.0077%0.07CC..  trans-143.3-172.8178.663.80000110R193 D194 F260S191-R193 PolarHBondContact O-N 2.85Å; S191-R193 WeakPolarHBondContact OG-CG 3.27Å; S191-D194 PolarHBondContact N-OD2 3.45Å; S191-D194 WeakPolarHBondContact O-CB 3.27Å; S191-D194 PolarHBondContact O-N 2.94Å; S191-D194 VanDerWaalsContact O-N 3.09Å; S191-D194 PolarHBondContact OG-OD2 3.47Å; S191-F260 WeakPolarHBondContact CB-O 3.42Å; S191-F260 PolarHBondContact OG-O 3.47Å
192R98.9Very high98.5Very high14 Ų1413.5 Ų13.55%0.0537%0.07CC..Hα-helixtrans-57.6-33-177.2-67.8170.6-77.7-166.2-1.6114H120 I125 Y156 H164 D194 D261 D262 P264H120-R192 HydrophobicContact CB-CG 4.29Å; H120-R192 PolarHBondContact CE1-O 3.03Å; I125-R192 HydrophobicContact CG2-CG 4.25Å; Y156-R192 HydrophobicContact CD1-CG 4.48Å; Y156-R192 HydrophobicContact CD2-CG 4.24Å; Y156-R192 HydrophobicContact CE1-CG 4.2Å; Y156-R192 HydrophobicContact CE2-CG 3.96Å; H164-R192 PolarHBondContact CD2-NH2 2.62Å; R192-D194 PolarHBondContact O-N 2.93Å; R192-D261 PolarHBondContact NH2-O 3.34Å; R192-D262 PolarHBondContact NE-O 3.13Å; R192-D262 VanDerWaalsContact NH2-C 3.34Å; R192-D262 PolarHBondContact NH2-O 3.44Å; R192-P264 HydrophobicContact CB-CG 3.92Å
193R98.8Very high98.5Very high28 Ų2812.4 Ų12.411%0.1066%0.064CC..Hα-helixtrans-66.1-29.3-179.973-165.4173165.20.6112.4N183 S191 L196 E197 L258N183-R193 PolarHBondContact ND2-NE 2.92Å; N183-R193 PolarHBondContact ND2-NH2 3.47Å; S191-R193 PolarHBondContact O-N 2.85Å; S191-R193 WeakPolarHBondContact OG-CG 3.27Å; R193-L196 PolarHBondContact O-N 3.18Å; R193-E197 WeakPolarHBondContact O-CB 3.33Å; R193-E197 PolarHBondContact O-N 2.75Å; R193-L258 HydrophobicContact CB-CB 3.79Å; R193-L258 HydrophobicContact CB-CD1 3.76Å; R193-L258 HydrophobicContact CB-CG 4.45Å; R193-L258 VanDerWaalsContact CD-O 3.27Å; R193-L258 WeakPolarHBondContact CD-O 3.49Å; R193-L258 PolarHBondContact NH1-O 3.09Å
194D98.9Very high98.5Very high0 Ų011 Ų110%06%0.057CC..Hα-helixtrans-75.4-37.3-174.9-58.3-78000111.8S181 N183 Q190 S191 R192 L196 S198S181-D194 WeakPolarHBondContact CB-OD1 3.25Å; S181-D194 PolarHBondContact OG-OD1 3.09Å; N183-D194 WeakPolarHBondContact CB-OD1 3.43Å; Q190-D194 WeakPolarHBondContact CA-OD2 3.28Å; Q190-D194 HydrophobicContact CB-CB 4.2Å; Q190-D194 HydrophobicContact CG-CB 4.19Å; S191-D194 PolarHBondContact N-OD2 3.45Å; S191-D194 WeakPolarHBondContact O-CB 3.27Å; S191-D194 PolarHBondContact O-N 2.94Å; S191-D194 VanDerWaalsContact O-N 3.09Å; S191-D194 PolarHBondContact OG-OD2 3.47Å; R192-D194 PolarHBondContact O-N 2.93Å; D194-L196 VanDerWaalsContact C-N 3.32Å; D194-S198 VanDerWaalsContact O-CB 3.31Å; D194-S198 WeakPolarHBondContact O-CB 3.29Å; D194-S198 PolarHBondContact O-N 3.1Å; D194-S198 PolarHBondContact O-OG 3.31Å
195D98.9Very high98.6Very high1 Ų110.9 Ų10.91%0.0056%0.055CC..Hα-helixtrans-62.5-40.3171.4-79.6-18.2000111.1I116 H120 I125 H126 R127 V129 L199I116-D195 HydrophobicContact CG2-CB 4.05Å; H120-D195 IonicContact NE2-OD2 2.96Å; H120-D195 PolarHBondContact NE2-OD2 3.49Å; H120-D195 VanDerWaalsContact NE2-OD2 3.17Å; I125-D195 WeakPolarHBondContact CA-OD2 3.48Å; H126-D195 PolarHBondContact N-OD2 3.48Å; R127-D195 PolarHBondContact N-OD1 3.45Å; V129-D195 HydrophobicContact CG2-CB 4.02Å; D195-L199 PolarHBondContact O-N 3.42Å
196L98.9Very high98.6Very high0 Ų09.5 Ų9.50%05%0.049CC..Hα-helixtrans-72.6-43.3178.3-66.4173000112.5I116 R193 D194 S198 L199 G200 Y251 P264 Y266 L269I116-L196 HydrophobicContact CG2-CD2 3.89Å; I116-L196 HydrophobicContact CG2-CG 4.36Å; R193-L196 PolarHBondContact O-N 3.18Å; D194-L196 VanDerWaalsContact C-N 3.32Å; L196-S198 PolarHBondContact O-N 3.34Å; L196-L199 WeakPolarHBondContact O-CB 3.44Å; L196-L199 PolarHBondContact O-N 2.94Å; L196-L199 VanDerWaalsContact O-N 3.14Å; L196-G200 PolarHBondContact O-N 2.63Å; L196-Y251 WeakPolarHBondContact O-CE1 3.19Å; L196-Y251 PolarHBondContact O-OH 2.94Å; L196-P264 HydrophobicContact CD1-CB 3.42Å; L196-P264 VanDerWaalsContact CD1-CB 3.42Å; L196-P264 HydrophobicContact CD1-CG 3.54Å; L196-Y266 HydrophobicContact CD1-CD1 4.27Å; L196-Y266 HydrophobicContact CD1-CE1 3.91Å; L196-Y266 HydrophobicContact CD2-CD1 4.29Å; L196-Y266 HydrophobicContact CD2-CE1 4.26Å; L196-Y266 HydrophobicContact CG-CE1 4.46Å; L196-L269 HydrophobicContact CD1-CD1 3.95Å; L196-L269 HydrophobicContact CD2-CD1 4.37Å
197E98.9Very high98.7Very high2 Ų25.6 Ų5.61%0.0093%0.029CC..Hα-helixtrans-59.1-41.6174-171.4-175143.500110.7S181 I182 R193 L199 G200 Y201 L252 C255 R256S181-E197 WeakPolarHBondContact CA-OE1 3.26Å; I182-E197 PolarHBondContact N-OE1 2.98Å; R193-E197 WeakPolarHBondContact O-CB 3.33Å; R193-E197 PolarHBondContact O-N 2.75Å; E197-L199 PolarHBondContact O-N 3.2Å; E197-G200 PolarHBondContact O-N 3.16Å; E197-G200 VanDerWaalsContact O-N 3.13Å; E197-Y201 HydrophobicContact CG-CD2 4.49Å; E197-Y201 HydrophobicContact CG-CE2 3.73Å; E197-Y201 WeakPolarHBondContact O-CD2 3.32Å; E197-Y201 PolarHBondContact O-N 3.26Å; E197-Y201 VanDerWaalsContact O-N 3.14Å; E197-Y201 WeakPolarHBondContact OE1-CE2 3.39Å; E197-Y201 PolarHBondContact OE1-OH 3.01Å; E197-L252 HydrophobicContact CG-CD2 4.45Å; E197-C255 HydrophobicContact CB-CB 4.11Å; E197-R256 IonicContact OE1-NE 3.95Å
198S98.9Very high98.7Very high7 Ų78 Ų85%0.0494%0.04CC..Hα-helixtrans-61.3-43175.5-56.70000111.8Y179 D194 L196 G200 Y201 V202Y179-S198 VanDerWaalsContact O-CA 3.29Å; Y179-S198 WeakPolarHBondContact O-CA 3.27Å; Y179-S198 VanDerWaalsContact O-CB 3.31Å; Y179-S198 WeakPolarHBondContact O-CB 3.45Å; Y179-S198 PolarHBondContact O-OG 2.97Å; Y179-S198 VanDerWaalsContact O-OG 3.12Å; D194-S198 VanDerWaalsContact O-CB 3.31Å; D194-S198 WeakPolarHBondContact O-CB 3.29Å; D194-S198 PolarHBondContact O-N 3.1Å; D194-S198 PolarHBondContact O-OG 3.31Å; L196-S198 PolarHBondContact O-N 3.34Å; S198-G200 VanDerWaalsContact C-N 3.31Å; S198-G200 PolarHBondContact O-N 2.68Å; S198-Y201 PolarHBondContact O-N 2.88Å; S198-V202 WeakPolarHBondContact O-CG2 3.31Å; S198-V202 PolarHBondContact O-N 3.23Å
199L98.9Very high98.7Very high0 Ų07.8 Ų7.80%04%0.042CC..Hα-helixtrans-59.4-41.3172.7178.358.2000111.7M112 I113 I116 V129 D195 L196 E197 Y201 V202 L203M112-L199 HydrophobicContact CB-CD1 3.78Å; M112-L199 HydrophobicContact CB-CD2 3.93Å; M112-L199 HydrophobicContact CE-CD1 3.28Å; M112-L199 HydrophobicContact CG-CD1 4.37Å; M112-L199 HydrophobicContact SD-CD1 3.83Å; I113-L199 HydrophobicContact CG1-CD2 3.66Å; I116-L199 HydrophobicContact CD1-CB 3.9Å; I116-L199 HydrophobicContact CD1-CD2 3.74Å; I116-L199 HydrophobicContact CD1-CG 4.33Å; V129-L199 HydrophobicContact CG1-CB 4.1Å; D195-L199 PolarHBondContact O-N 3.42Å; L196-L199 WeakPolarHBondContact O-CB 3.44Å; L196-L199 PolarHBondContact O-N 2.94Å; L196-L199 VanDerWaalsContact O-N 3.14Å; E197-L199 PolarHBondContact O-N 3.2Å; L199-Y201 VanDerWaalsContact C-N 3.29Å; L199-Y201 PolarHBondContact O-N 3.39Å; L199-V202 HydrophobicContact CD1-CB 4.47Å; L199-V202 WeakPolarHBondContact O-CA 3.49Å; L199-V202 WeakPolarHBondContact O-CB 3.22Å; L199-V202 PolarHBondContact O-N 2.98Å; L199-L203 HydrophobicContact CD1-CD2 4.37Å; L199-L203 HydrophobicContact CD1-CG 4.23Å; L199-L203 HydrophobicContact CG-CD1 4.41Å; L199-L203 HydrophobicContact CG-CG 4.38Å; L199-L203 WeakPolarHBondContact O-CG 3.17Å; L199-L203 PolarHBondContact O-N 2.71Å
200G98.9Very high98.7Very high2 Ų210.6 Ų10.62%0.0216%0.062CC..Hα-helixtrans-57.4-41.1175.600000112.9L196 E197 S198 L203 M204L196-G200 PolarHBondContact O-N 2.63Å; E197-G200 PolarHBondContact O-N 3.16Å; E197-G200 VanDerWaalsContact O-N 3.13Å; S198-G200 VanDerWaalsContact C-N 3.31Å; S198-G200 PolarHBondContact O-N 2.68Å; G200-L203 PolarHBondContact O-N 3.24Å; G200-M204 PolarHBondContact O-N 3.37Å
201Y98.8Very high98.7Very high0 Ų010.2 Ų10.20%06%0.061CC..Hα-helixtrans-67.8-35.2173.1-61.1-44.7000113Y179 E197 S198 L199 M204 Y205 W213 L240 L252 R256Y179-Y201 VanDerWaalsContact O-CD2 3.3Å; Y179-Y201 WeakPolarHBondContact O-CD2 3.08Å; E197-Y201 HydrophobicContact CG-CD2 4.49Å; E197-Y201 HydrophobicContact CG-CE2 3.73Å; E197-Y201 WeakPolarHBondContact O-CD2 3.32Å; E197-Y201 PolarHBondContact O-N 3.26Å; E197-Y201 VanDerWaalsContact O-N 3.14Å; E197-Y201 WeakPolarHBondContact OE1-CE2 3.39Å; E197-Y201 PolarHBondContact OE1-OH 3.01Å; S198-Y201 PolarHBondContact O-N 2.88Å; L199-Y201 VanDerWaalsContact C-N 3.29Å; L199-Y201 PolarHBondContact O-N 3.39Å; Y201-M204 PolarHBondContact O-N 3.45Å; Y201-Y205 VanDerWaalsContact O-CB 3.3Å; Y201-Y205 WeakPolarHBondContact O-CB 3.23Å; Y201-Y205 PolarHBondContact O-N 3.26Å; Y201-W213 AromaticContact CD1-CH2 3.59Å; Y201-W213 HydrophobicContact CD1-CH2 3.59Å; Y201-W213 AromaticContact CD1-CZ2 3.76Å; Y201-W213 HydrophobicContact CD1-CZ2 3.76Å; Y201-W213 AromaticContact CE1-CH2 3.74Å; Y201-W213 HydrophobicContact CE1-CH2 3.74Å; Y201-W213 HydrophobicContact CE1-CZ2 4.2Å; Y201-W213 HydrophobicContact CG-CH2 4.3Å; Y201-W213 HydrophobicContact CG-CZ2 4Å; Y201-L240 HydrophobicContact CD1-CD2 4.1Å; Y201-L240 HydrophobicContact CE1-CD2 4.13Å; Y201-L252 HydrophobicContact CD1-CD2 4.12Å; Y201-L252 HydrophobicContact CE1-CD2 3.99Å; Y201-R256 PolarHBondContact OH-NH2 3.33Å
202V98.9Very high98.6Very high0 Ų012.9 Ų12.90%08%0.078CC..Hα-helixtrans-63.4-44.3173.8170.30000111.4M112 P131 Y179 S198 L199 M204 Y205 F206M112-V202 HydrophobicContact CE-CG1 3.82Å; P131-V202 HydrophobicContact CG-CG1 3.96Å; P131-V202 HydrophobicContact CG-CG2 4.48Å; Y179-V202 HydrophobicContact CD1-CG2 3.71Å; Y179-V202 HydrophobicContact CE1-CG2 4.12Å; Y179-V202 HydrophobicContact CG-CG2 4.04Å; S198-V202 WeakPolarHBondContact O-CG2 3.31Å; S198-V202 PolarHBondContact O-N 3.23Å; L199-V202 HydrophobicContact CD1-CB 4.47Å; L199-V202 WeakPolarHBondContact O-CA 3.49Å; L199-V202 WeakPolarHBondContact O-CB 3.22Å; L199-V202 PolarHBondContact O-N 2.98Å; V202-M204 PolarHBondContact O-N 2.84Å; V202-Y205 WeakPolarHBondContact O-CB 3.41Å; V202-Y205 PolarHBondContact O-N 3.01Å; V202-F206 HydrophobicContact CG1-CD2 4.06Å; V202-F206 HydrophobicContact CG1-CE2 3.43Å; V202-F206 VanDerWaalsContact CG1-CE2 3.43Å; V202-F206 HydrophobicContact CG1-CZ 3.8Å; V202-F206 WeakPolarHBondContact O-CD2 3.2Å; V202-F206 PolarHBondContact O-N 3.06Å
203L98.9Very high98.6Very high0 Ų012.4 Ų12.40%08%0.076CC..Hα-helixtrans-63.1-43.1176.6-62.9178.6000111.5V105 A109 M112 L199 G200 Y205 F206 N207 F248 F273V105-L203 HydrophobicContact CG1-CB 4.45Å; V105-L203 HydrophobicContact CG1-CD2 4.16Å; A109-L203 HydrophobicContact CB-CD1 3.8Å; A109-L203 HydrophobicContact CB-CD2 3.81Å; A109-L203 HydrophobicContact CB-CG 4.48Å; M112-L203 HydrophobicContact SD-CD2 4.38Å; L199-L203 HydrophobicContact CD1-CD2 4.37Å; L199-L203 HydrophobicContact CD1-CG 4.23Å; L199-L203 HydrophobicContact CG-CD1 4.41Å; L199-L203 HydrophobicContact CG-CG 4.38Å; L199-L203 WeakPolarHBondContact O-CG 3.17Å; L199-L203 PolarHBondContact O-N 2.71Å; G200-L203 PolarHBondContact O-N 3.24Å; L203-Y205 VanDerWaalsContact C-N 3.32Å; L203-Y205 PolarHBondContact O-N 3.03Å; L203-F206 PolarHBondContact O-N 3.33Å; L203-N207 PolarHBondContact O-N 3.33Å; L203-N207 VanDerWaalsContact O-N 3.08Å; L203-F248 HydrophobicContact CB-CD1 4.35Å; L203-F248 HydrophobicContact CB-CE1 4.15Å; L203-F273 HydrophobicContact CD1-CE2 3.81Å; L203-F273 HydrophobicContact CD1-CZ 3.87Å
204M98.8Very high98.5Very high1 Ų113.7 Ų13.71%0.0058%0.083CC..Hα-helixtrans-66-33.6174.8-75-53.1-53.700113G200 Y201 V202 N207 L208 L211 L240 C241 Y244 F248 L252G200-M204 PolarHBondContact O-N 3.37Å; Y201-M204 PolarHBondContact O-N 3.45Å; V202-M204 PolarHBondContact O-N 2.84Å; M204-N207 HydrophobicContact CE-CB 4.49Å; M204-N207 WeakPolarHBondContact O-CB 3.37Å; M204-N207 PolarHBondContact O-N 3.46Å; M204-L208 HydrophobicContact CB-CD1 4.45Å; M204-L208 HydrophobicContact CE-CD1 3.72Å; M204-L208 HydrophobicContact CE-CG 3.95Å; M204-L208 VanDerWaalsContact O-CB 3.29Å; M204-L208 WeakPolarHBondContact O-CB 3.49Å; M204-L208 VanDerWaalsContact O-CG 3.31Å; M204-L208 WeakPolarHBondContact O-CG 3.35Å; M204-L208 PolarHBondContact O-N 3.39Å; M204-L211 HydrophobicContact CB-CD2 4.17Å; M204-L240 VanDerWaalsContact CE-O 3.31Å; M204-L240 WeakPolarHBondContact CE-O 3.46Å; M204-L240 HydrophobicContact CG-CD2 4.43Å; M204-L240 HydrophobicContact CG-CG 4.45Å; M204-C241 HydrophobicContact CE-CB 4.37Å; M204-C241 HydrophobicContact SD-CB 4.42Å; M204-C241 VanDerWaalsContact SD-SG 3.62Å; M204-Y244 HydrophobicContact CE-CD2 4.11Å; M204-Y244 HydrophobicContact CE-CG 4.47Å; M204-F248 HydrophobicContact SD-CB 3.67Å; M204-F248 HydrophobicContact SD-CD1 4.1Å; M204-F248 HydrophobicContact SD-CG 3.93Å; M204-L252 HydrophobicContact CG-CD1 4.19Å
205Y98.8Very high98.3Very high2 Ų217.3 Ų17.31%0.00812%0.121CC..Hα-helixtrans-62-44.8173.4167.9-102.7000111.9E90 F93 R98 P131 Y179 Y201 V202 L203 N207 L208 G209 L211E90-Y205 VanDerWaalsContact CD-OH 3.24Å; E90-Y205 PolarHBondContact OE1-OH 3.28Å; E90-Y205 VanDerWaalsContact OE2-CE1 3.26Å; E90-Y205 WeakPolarHBondContact OE2-CE1 3.26Å; E90-Y205 PolarHBondContact OE2-OH 2.79Å; F93-Y205 AromaticContact CD1-CE1 3.77Å; F93-Y205 HydrophobicContact CD1-CE1 3.77Å; F93-Y205 HydrophobicContact CE1-CD1 4.29Å; F93-Y205 AromaticContact CE1-CE1 3.72Å; F93-Y205 HydrophobicContact CE1-CE1 3.72Å; F93-Y205 HydrophobicContact CE1-CE2 4.43Å; F93-Y205 AromaticContact CE1-CZ 3.83Å; R98-Y205 PolarHBondContact NH1-OH 2.85Å; R98-Y205 VanDerWaalsContact NH2-CZ 3.31Å; R98-Y205 PolarHBondContact NH2-OH 3.02Å; P131-Y205 HydrophobicContact CG-CD1 4.01Å; P131-Y205 HydrophobicContact CG-CE1 3.95Å; Y179-Y205 HydrophobicContact CE1-CD1 4.46Å; Y179-Y205 HydrophobicContact CE1-CG 4.23Å; Y201-Y205 VanDerWaalsContact O-CB 3.3Å; Y201-Y205 WeakPolarHBondContact O-CB 3.23Å; Y201-Y205 PolarHBondContact O-N 3.26Å; V202-Y205 WeakPolarHBondContact O-CB 3.41Å; V202-Y205 PolarHBondContact O-N 3.01Å; L203-Y205 VanDerWaalsContact C-N 3.32Å; L203-Y205 PolarHBondContact O-N 3.03Å; Y205-N207 VanDerWaalsContact C-N 3.32Å; Y205-N207 PolarHBondContact O-N 3.18Å; Y205-L208 PolarHBondContact O-N 2.71Å; Y205-G209 PolarHBondContact O-N 2.97Å; Y205-L211 HydrophobicContact CD2-CG 4.33Å
206F98.7Very high98Very high0 Ų019.6 Ų19.60%013%0.133CC..Hα-helixtrans-63.7-38175.4-66.3-40000112.9L89 F93 F100 V105 L108 P131 V202 L203L89-F206 HydrophobicContact CB-CE1 4.38Å; L89-F206 HydrophobicContact CB-CZ 3.76Å; L89-F206 HydrophobicContact CD1-CE2 4.18Å; L89-F206 HydrophobicContact CD1-CZ 4.06Å; F93-F206 HydrophobicContact CB-CD1 4.43Å; F93-F206 HydrophobicContact CB-CE1 4.29Å; F93-F206 HydrophobicContact CD1-CD1 4.33Å; F93-F206 AromaticContact CD2-CD1 3.91Å; F93-F206 HydrophobicContact CD2-CD1 3.91Å; F93-F206 HydrophobicContact CE1-CD1 4.5Å; F93-F206 HydrophobicContact CE2-CB 4.42Å; F93-F206 HydrophobicContact CE2-CD1 4.1Å; F93-F206 WeakPolarHBondContact CE2-O 3.45Å; F93-F206 HydrophobicContact CG-CD1 4.01Å; F93-F206 HydrophobicContact CG-CE1 4.31Å; F93-F206 HydrophobicContact CZ-CD1 4.36Å; F100-F206 HydrophobicContact CD2-CB 3.9Å; F100-F206 AromaticContact CD2-CD1 3.79Å; F100-F206 HydrophobicContact CD2-CD1 3.79Å; F100-F206 HydrophobicContact CD2-CD2 4.4Å; F100-F206 HydrophobicContact CD2-CE1 4.42Å; F100-F206 AromaticContact CD2-CG 3.79Å; F100-F206 HydrophobicContact CD2-CG 3.79Å; F100-F206 AromaticContact CE2-CD1 3.68Å; F100-F206 HydrophobicContact CE2-CD1 3.68Å; F100-F206 AromaticContact CE2-CE1 3.86Å; F100-F206 HydrophobicContact CE2-CE1 3.86Å; F100-F206 HydrophobicContact CE2-CG 4.05Å; F100-F206 HydrophobicContact CE2-CZ 4.36Å; V105-F206 HydrophobicContact CG2-CB 3.9Å; L108-F206 HydrophobicContact CD1-CE2 4.49Å; P131-F206 HydrophobicContact CB-CE1 3.98Å; P131-F206 HydrophobicContact CB-CZ 3.81Å; P131-F206 HydrophobicContact CG-CE1 3.98Å; P131-F206 HydrophobicContact CG-CZ 3.88Å; V202-F206 HydrophobicContact CG1-CD2 4.06Å; V202-F206 HydrophobicContact CG1-CE2 3.43Å; V202-F206 VanDerWaalsContact CG1-CE2 3.43Å; V202-F206 HydrophobicContact CG1-CZ 3.8Å; V202-F206 WeakPolarHBondContact O-CD2 3.2Å; V202-F206 PolarHBondContact O-N 3.06Å; L203-F206 PolarHBondContact O-N 3.33Å
207N98.5Very high97.8Very high16 Ų1627.3 Ų27.39%0.08617%0.166CC..Hα-helixtrans-63.7-46.8175.1-84.4-20.9000112.3L203 M204 Y205 Y244 F248L203-N207 PolarHBondContact O-N 3.33Å; L203-N207 VanDerWaalsContact O-N 3.08Å; M204-N207 HydrophobicContact CE-CB 4.49Å; M204-N207 WeakPolarHBondContact O-CB 3.37Å; M204-N207 PolarHBondContact O-N 3.46Å; Y205-N207 VanDerWaalsContact C-N 3.32Å; Y205-N207 PolarHBondContact O-N 3.18Å; N207-Y244 VanDerWaalsContact C-OH 3.29Å; N207-Y244 HydrophobicContact CB-CD1 3.7Å; N207-Y244 HydrophobicContact CB-CE1 3.43Å; N207-Y244 VanDerWaalsContact CB-CE1 3.43Å; N207-Y244 HydrophobicContact CB-CG 4.36Å; N207-Y244 PolarHBondContact O-OH 3.09Å; N207-F248 WeakPolarHBondContact ND2-CE1 3.48Å; N207-F248 WeakPolarHBondContact ND2-CE2 3.26Å; N207-F248 WeakPolarHBondContact ND2-CZ 3.27Å
208L98.2Very high97.5Very high58 Ų5829.1 Ų29.130%0.30418%0.181SC..Hα-helixtrans-90.8-17.2-169.2-70.1165.9000114.6M204 Y205 S210 L240 Y244M204-L208 HydrophobicContact CB-CD1 4.45Å; M204-L208 HydrophobicContact CE-CD1 3.72Å; M204-L208 HydrophobicContact CE-CG 3.95Å; M204-L208 VanDerWaalsContact O-CB 3.29Å; M204-L208 WeakPolarHBondContact O-CB 3.49Å; M204-L208 VanDerWaalsContact O-CG 3.31Å; M204-L208 WeakPolarHBondContact O-CG 3.35Å; M204-L208 PolarHBondContact O-N 3.39Å; Y205-L208 PolarHBondContact O-N 2.71Å; L208-S210 WeakPolarHBondContact CB-O 3.23Å; L208-S210 PolarHBondContact O-N 3.27Å; L208-S210 VanDerWaalsContact O-N 3.1Å; L208-L240 HydrophobicContact CD1-CD1 3.98Å; L208-Y244 HydrophobicContact CD2-CD2 4.32Å; L208-Y244 HydrophobicContact CD2-CE2 3.43Å; L208-Y244 VanDerWaalsContact CD2-CE2 3.43Å; L208-Y244 HydrophobicContact CG-CE2 4.1Å
209G97.7Very high97.3Very high15 Ų1533.1 Ų33.116%0.15522%0.215CC..SBendtrans80.2-29.2-168.500000113.7R98 Y205R98-G209 PolarHBondContact NH2-O 3.08Å; Y205-G209 PolarHBondContact O-N 2.97Å
210S97.8Very high97.1Very high65 Ų6536.5 Ų36.546%0.45524%0.236SC..SBendtrans-157.7154.8174.664.50000111.7L208 Q214L208-S210 WeakPolarHBondContact CB-O 3.23Å; L208-S210 PolarHBondContact O-N 3.27Å; L208-S210 VanDerWaalsContact O-N 3.1Å; S210-Q214 VanDerWaalsContact CA-OE1 3.26Å
211L98.4Very high96.7Very high3 Ų341 Ų412%0.01626%0.255CS..  trans-92.5146.8172.6-68.4164.3000110.6R178 Y179 M204 Y205 W213 Q214 L240R178-L211 HydrophobicContact CG-CD1 4.12Å; Y179-L211 HydrophobicContact CD1-CD1 4.13Å; Y179-L211 HydrophobicContact CE1-CD1 4.12Å; M204-L211 HydrophobicContact CB-CD2 4.17Å; Y205-L211 HydrophobicContact CD2-CG 4.33Å; L211-W213 HydrophobicContact CB-CD2 4.13Å; L211-W213 HydrophobicContact CB-CZ2 3.92Å; L211-W213 HydrophobicContact CD1-CZ2 3.66Å; L211-W213 HydrophobicContact CD2-CH2 4.01Å; L211-W213 HydrophobicContact CD2-CZ2 3.78Å; L211-W213 HydrophobicContact CG-CZ2 3.98Å; L211-W213 PolarHBondContact O-N 2.99Å; L211-Q214 HydrophobicContact CB-CG 4.32Å; L211-Q214 WeakPolarHBondContact O-CB 3.43Å; L211-Q214 PolarHBondContact O-N 3.04Å; L211-L240 HydrophobicContact CD2-CD1 4.16Å
212P98.1Very high96.3Very high56 Ų5649.7 Ų49.736%0.36429%0.287SS..THydrogen-bonded Turntrans-69.2-4.8-171.626.7-34.6000114.9T235 L240P212-T235 HydrophobicContact CG-CG2 4.36Å; P212-L240 HydrophobicContact CG-CD1 3.88Å
213W98.3Very high96.1Very high4 Ų453.3 Ų53.32%0.01530%0.304CS..THydrogen-bonded Turntrans-104.311.1173.151.680.5000113.1R178 Y201 L211 L216 I228 K231 K232 L240R178-W213 PolarHBondContact O-NE1 3Å; Y201-W213 AromaticContact CD1-CH2 3.59Å; Y201-W213 HydrophobicContact CD1-CH2 3.59Å; Y201-W213 AromaticContact CD1-CZ2 3.76Å; Y201-W213 HydrophobicContact CD1-CZ2 3.76Å; Y201-W213 AromaticContact CE1-CH2 3.74Å; Y201-W213 HydrophobicContact CE1-CH2 3.74Å; Y201-W213 HydrophobicContact CE1-CZ2 4.2Å; Y201-W213 HydrophobicContact CG-CH2 4.3Å; Y201-W213 HydrophobicContact CG-CZ2 4Å; L211-W213 HydrophobicContact CB-CD2 4.13Å; L211-W213 HydrophobicContact CB-CZ2 3.92Å; L211-W213 HydrophobicContact CD1-CZ2 3.66Å; L211-W213 HydrophobicContact CD2-CH2 4.01Å; L211-W213 HydrophobicContact CD2-CZ2 3.78Å; L211-W213 HydrophobicContact CG-CZ2 3.98Å; L211-W213 PolarHBondContact O-N 2.99Å; W213-L216 HydrophobicContact CB-CD1 4.22Å; W213-I228 HydrophobicContact CB-CG2 4.27Å; W213-I228 HydrophobicContact CG-CG2 4.16Å; W213-K231 HydrophobicContact CB-CB 3.97Å; W213-K231 HydrophobicContact CB-CG 3.78Å; W213-K232 HydrophobicContact CD2-CD 4.44Å; W213-K232 HydrophobicContact CD2-CG 3.62Å; W213-K232 HydrophobicContact CE3-CG 3.67Å; W213-K232 HydrophobicContact CG-CG 4.11Å; W213-K232 HydrophobicContact CH2-CG 4.23Å; W213-K232 HydrophobicContact CZ2-CD 4.41Å; W213-K232 HydrophobicContact CZ2-CG 4.17Å; W213-K232 HydrophobicContact CZ3-CG 3.99Å; W213-K232 VanDerWaalsContact NE1-CE 3.33Å; W213-L240 HydrophobicContact CH2-CD1 4.11Å; W213-L240 HydrophobicContact CH2-CD2 3.9Å; W213-L240 HydrophobicContact CZ3-CD1 4.07Å; W213-L240 HydrophobicContact CZ3-CD2 4.28Å
214Q96.6Very high95.9Very high55 Ų5558 Ų5826%0.25733%0.325SS..THydrogen-bonded Turntrans-78.7157.3169.7-70.5-176.2-111.100111.7R178 S210 L211 L216R178-Q214 HydrophobicContact CG-CG 4.12Å; S210-Q214 VanDerWaalsContact CA-OE1 3.26Å; L211-Q214 HydrophobicContact CB-CG 4.32Å; L211-Q214 WeakPolarHBondContact O-CB 3.43Å; L211-Q214 PolarHBondContact O-N 3.04Å; Q214-L216 PolarHBondContact O-N 2.97Å; Q214-L216 VanDerWaalsContact O-N 3.1Å
215G93.8Very high95.6Very high77 Ų7760.5 Ų60.579%0.79434%0.335SS*.THydrogen-bonded Turntrans69.75.4173.700000116K217G215-K217 PolarHBondContact O-N 3.16Å
216L94.1Very high95.4Very high49 Ų4964.2 Ų64.226%0.25735%0.352SS..  trans-62123.1177.9-58.5179.7000110.5W213 Q214 R227 I228 K231W213-L216 HydrophobicContact CB-CD1 4.22Å; Q214-L216 PolarHBondContact O-N 2.97Å; Q214-L216 VanDerWaalsContact O-N 3.1Å; L216-R227 HydrophobicContact CD1-CB 4.06Å; L216-I228 HydrophobicContact CD1-CG1 4.18Å; L216-K231 HydrophobicContact CD1-CB 4.11Å
217K93.6Very high95.3Very high162 Ų16269.8 Ų69.870%0.70437%0.373SS*.  trans-71.3144.6174.5-63.4-178.8-179.9174.90109.4G215 R227G215-K217 PolarHBondContact O-N 3.16Å; K217-R227 WeakPolarHBondContact O-CD 3.49Å; K217-R227 VanDerWaalsContact O-CZ 3.28Å; K217-R227 PolarHBondContact O-NE 2.9Å; K217-R227 PolarHBondContact O-NH1 3.49Å
218A93.5Very high95.3Very high39 Ų3969.6 Ų69.632%0.32237%0.372SS..  trans-160.4154.7171.900000108.7Q223 K224A218-Q223 HydrophobicContact CB-CB 3.88Å; A218-K224 HydrophobicContact CB-CB 3.78Å; A218-K224 HydrophobicContact CB-CG 4.44Å; A218-K224 VanDerWaalsContact CB-N 3.35Å
219A95.2Very high95.3Very high92 Ų9267.6 Ų67.676%0.7636%0.363SS*.SBendtrans-78.3-30.2179.300000112.1Q223A219-Q223 VanDerWaalsContact N-OE1 3.15Å
220T94.5Very high95.3Very high70 Ų7072.8 Ų72.843%0.42938%0.383SS..SBendtrans-128.6159.1-179.971.40000111.6R222 Q223 K224T220-R222 VanDerWaalsContact C-N 3.28Å; T220-R222 PolarHBondContact O-N 3.27Å; T220-Q223 PolarHBondContact O-N 3.3Å; T220-Q223 WeakPolarHBondContact OG1-CB 3.07Å; T220-Q223 WeakPolarHBondContact OG1-CG 3.35Å; T220-Q223 PolarHBondContact OG1-N 2.75Å; T220-Q223 VanDerWaalsContact OG1-N 3.17Å; T220-K224 PolarHBondContact O-N 3.49Å
221K89.3Confident95.3Very high96 Ų9673.5 Ų73.542%0.41738%0.378SS..Hα-helixtrans-57.8-41.1174.9-174.7174.2179.2174.20111.7K224 Y225 V436K221-K224 WeakPolarHBondContact O-CB 3.5Å; K221-K224 PolarHBondContact O-N 3.44Å; K221-Y225 HydrophobicContact CD-CE2 4.38Å; K221-Y225 VanDerWaalsContact CE-CZ 3.41Å; K221-Y225 WeakPolarHBondContact CE-OH 3.27Å; K221-Y225 HydrophobicContact CG-CD2 4.47Å; K221-Y225 HydrophobicContact CG-CE1 4.16Å; K221-Y225 HydrophobicContact CG-CE2 3.91Å; K221-Y225 PolarHBondContact O-N 3.2Å; K221-V436 PolarHBondContact NZ-O 3.4Å
222R91.2Very high95.3Very high183 Ų18373.4 Ų73.469%0.69138%0.377SS*.Hα-helixtrans-60-50.7175.5178.7177.4172.2161.72.3111.8T220 K224 Y225 E226T220-R222 VanDerWaalsContact C-N 3.28Å; T220-R222 PolarHBondContact O-N 3.27Å; R222-K224 PolarHBondContact O-N 2.9Å; R222-Y225 PolarHBondContact O-N 3.1Å; R222-Y225 VanDerWaalsContact O-N 3.09Å; R222-E226 WeakPolarHBondContact CG-OE1 3.24Å; R222-E226 IonicContact CZ-OE1 3.13Å; R222-E226 IonicContact NE-OE1 2.8Å; R222-E226 PolarHBondContact NE-OE1 3.41Å; R222-E226 IonicContact NH2-OE1 3.93Å; R222-E226 WeakPolarHBondContact O-CG 3.45Å; R222-E226 PolarHBondContact O-N 3.17Å
223Q94.3Very high95.3Very high76 Ų7674.8 Ų74.836%0.35538%0.38SS..Hα-helixtrans-61.4-34.4176-74.2174.9-4.800112A218 A219 T220 Y225 E226 R227A218-Q223 HydrophobicContact CB-CB 3.88Å; A219-Q223 VanDerWaalsContact N-OE1 3.15Å; T220-Q223 PolarHBondContact O-N 3.3Å; T220-Q223 WeakPolarHBondContact OG1-CB 3.07Å; T220-Q223 WeakPolarHBondContact OG1-CG 3.35Å; T220-Q223 PolarHBondContact OG1-N 2.75Å; T220-Q223 VanDerWaalsContact OG1-N 3.17Å; Q223-Y225 VanDerWaalsContact C-N 3.34Å; Q223-E226 PolarHBondContact O-N 3.05Å; Q223-R227 WeakPolarHBondContact O-CB 3.33Å; Q223-R227 VanDerWaalsContact O-CG 3.31Å; Q223-R227 WeakPolarHBondContact O-CG 3.44Å; Q223-R227 PolarHBondContact O-N 3.12Å
224K94.4Very high95.2Very high99 Ų9978.4 Ų78.443%0.4341%0.406SS..Hα-helixtrans-62.5-43.4174.7-166.4176.9-178.2177.70111.1A218 T220 K221 R222 R227 I228A218-K224 HydrophobicContact CB-CB 3.78Å; A218-K224 HydrophobicContact CB-CG 4.44Å; A218-K224 VanDerWaalsContact CB-N 3.35Å; T220-K224 PolarHBondContact O-N 3.49Å; K221-K224 WeakPolarHBondContact O-CB 3.5Å; K221-K224 PolarHBondContact O-N 3.44Å; R222-K224 PolarHBondContact O-N 2.9Å; K224-R227 PolarHBondContact O-N 3.06Å; K224-I228 HydrophobicContact CG-CD1 4.3Å; K224-I228 VanDerWaalsContact O-CG1 3.28Å; K224-I228 WeakPolarHBondContact O-CG1 2.81Å; K224-I228 PolarHBondContact O-N 3Å
225Y93.1Very high95.3Very high53 Ų5376.4 Ų76.421%0.20840%0.397CS..Hα-helixtrans-66.9-42.5177.6-65.3-13.4000112.1L173 A177 K221 R222 Q223 R227 I228 S229L173-Y225 HydrophobicContact CD1-CD2 4.2Å; L173-Y225 HydrophobicContact CD1-CG 4.28Å; L173-Y225 HydrophobicContact CD2-CD2 4.39Å; L173-Y225 HydrophobicContact CD2-CE2 4.14Å; A177-Y225 HydrophobicContact CB-CD1 3.47Å; A177-Y225 VanDerWaalsContact CB-CD1 3.47Å; A177-Y225 HydrophobicContact CB-CE1 3.42Å; A177-Y225 VanDerWaalsContact CB-CE1 3.42Å; A177-Y225 HydrophobicContact CB-CG 4.22Å; K221-Y225 HydrophobicContact CD-CE2 4.38Å; K221-Y225 VanDerWaalsContact CE-CZ 3.41Å; K221-Y225 WeakPolarHBondContact CE-OH 3.27Å; K221-Y225 HydrophobicContact CG-CD2 4.47Å; K221-Y225 HydrophobicContact CG-CE1 4.16Å; K221-Y225 HydrophobicContact CG-CE2 3.91Å; K221-Y225 PolarHBondContact O-N 3.2Å; R222-Y225 PolarHBondContact O-N 3.1Å; R222-Y225 VanDerWaalsContact O-N 3.09Å; Q223-Y225 VanDerWaalsContact C-N 3.34Å; Y225-R227 PolarHBondContact O-N 2.93Å; Y225-I228 PolarHBondContact O-N 3.14Å; Y225-S229 WeakPolarHBondContact O-CB 3.42Å; Y225-S229 PolarHBondContact O-N 3.22Å
226E95Very high95.6Very high81 Ų8175.9 Ų75.938%0.37938%0.38SS..Hα-helixtrans-58.1-46.2173.2-70.6164.6-179.900111R222 Q223 I228 S229 E230R222-E226 WeakPolarHBondContact CG-OE1 3.24Å; R222-E226 IonicContact CZ-OE1 3.13Å; R222-E226 IonicContact NE-OE1 2.8Å; R222-E226 PolarHBondContact NE-OE1 3.41Å; R222-E226 IonicContact NH2-OE1 3.93Å; R222-E226 WeakPolarHBondContact O-CG 3.45Å; R222-E226 PolarHBondContact O-N 3.17Å; Q223-E226 PolarHBondContact O-N 3.05Å; E226-I228 PolarHBondContact O-N 3.05Å; E226-S229 VanDerWaalsContact O-CB 3.28Å; E226-S229 WeakPolarHBondContact O-CB 3.33Å; E226-S229 PolarHBondContact O-N 2.71Å; E226-E230 WeakPolarHBondContact O-CG 3.24Å; E226-E230 PolarHBondContact O-N 2.82Å
227R97.1Very high95.8Very high117 Ų11773.7 Ų73.744%0.44237%0.369SS..Hα-helixtrans-64.4-37.9176.3-72.5-178.8-172.9-152.2-6.1113.8L216 K217 Q223 K224 Y225 K231L216-R227 HydrophobicContact CD1-CB 4.06Å; K217-R227 WeakPolarHBondContact O-CD 3.49Å; K217-R227 VanDerWaalsContact O-CZ 3.28Å; K217-R227 PolarHBondContact O-NE 2.9Å; K217-R227 PolarHBondContact O-NH1 3.49Å; Q223-R227 WeakPolarHBondContact O-CB 3.33Å; Q223-R227 VanDerWaalsContact O-CG 3.31Å; Q223-R227 WeakPolarHBondContact O-CG 3.44Å; Q223-R227 PolarHBondContact O-N 3.12Å; K224-R227 PolarHBondContact O-N 3.06Å; Y225-R227 PolarHBondContact O-N 2.93Å; R227-K231 VanDerWaalsContact O-CB 3.32Å; R227-K231 WeakPolarHBondContact O-CB 3.48Å; R227-K231 PolarHBondContact O-N 3.29Å
228I97.7Very high96Very high12 Ų1271.1 Ų71.16%0.06236%0.359CS..Hα-helixtrans-64.1-45.5174.4-70.4166.3000109.6A177 W213 L216 K224 Y225 E226 K231 K232A177-I228 HydrophobicContact CB-CD1 4.23Å; W213-I228 HydrophobicContact CB-CG2 4.27Å; W213-I228 HydrophobicContact CG-CG2 4.16Å; L216-I228 HydrophobicContact CD1-CG1 4.18Å; K224-I228 HydrophobicContact CG-CD1 4.3Å; K224-I228 VanDerWaalsContact O-CG1 3.28Å; K224-I228 WeakPolarHBondContact O-CG1 2.81Å; K224-I228 PolarHBondContact O-N 3Å; Y225-I228 PolarHBondContact O-N 3.14Å; E226-I228 PolarHBondContact O-N 3.05Å; I228-K231 PolarHBondContact O-N 3.14Å; I228-K232 HydrophobicContact CG2-CD 4.29Å; I228-K232 HydrophobicContact CG2-CG 4.44Å; I228-K232 WeakPolarHBondContact O-CG 3.35Å; I228-K232 PolarHBondContact O-N 3.04Å
229S97.1Very high96.2Very high15 Ų1573.5 Ų73.511%0.10537%0.37CS..Hα-helixtrans-56.3-54176.9-1800000111.5H185 Y225 E226 K231 K232 M233H185-S229 WeakPolarHBondContact CB-OG 3.48Å; Y225-S229 WeakPolarHBondContact O-CB 3.42Å; Y225-S229 PolarHBondContact O-N 3.22Å; E226-S229 VanDerWaalsContact O-CB 3.28Å; E226-S229 WeakPolarHBondContact O-CB 3.33Å; E226-S229 PolarHBondContact O-N 2.71Å; S229-K231 VanDerWaalsContact C-N 3.34Å; S229-K231 PolarHBondContact O-N 3.43Å; S229-K232 PolarHBondContact O-N 2.95Å; S229-K232 VanDerWaalsContact O-N 3.16Å; S229-M233 WeakPolarHBondContact O-CG 3.33Å; S229-M233 PolarHBondContact O-N 3.49Å; S229-M233 WeakPolarHBondContact OG-CE 3.33Å
230E97.8Very high96.4Very high124 Ų12469.6 Ų69.658%0.57934%0.336SS*.Hα-helixtrans-54.7-48.8176.7-72.7167.4-173.900111.3E226 K232 M233 S234E226-E230 WeakPolarHBondContact O-CG 3.24Å; E226-E230 PolarHBondContact O-N 2.82Å; E230-K232 VanDerWaalsContact C-N 3.34Å; E230-K232 PolarHBondContact O-N 3.48Å; E230-M233 PolarHBondContact O-N 3.44Å; E230-S234 VanDerWaalsContact O-CB 3.31Å; E230-S234 WeakPolarHBondContact O-CB 3.3Å; E230-S234 PolarHBondContact O-N 3.1Å; E230-S234 PolarHBondContact O-OG 3.08Å
231K98.3Very high96.6Very high81 Ų8166.6 Ų66.635%0.35232%0.318SS..Hα-helixtrans-65.2-35.5-179.1-17459.1176.9176.50112.5W213 L216 R227 I228 S229 S234 T235W213-K231 HydrophobicContact CB-CB 3.97Å; W213-K231 HydrophobicContact CB-CG 3.78Å; L216-K231 HydrophobicContact CD1-CB 4.11Å; R227-K231 VanDerWaalsContact O-CB 3.32Å; R227-K231 WeakPolarHBondContact O-CB 3.48Å; R227-K231 PolarHBondContact O-N 3.29Å; I228-K231 PolarHBondContact O-N 3.14Å; S229-K231 VanDerWaalsContact C-N 3.34Å; S229-K231 PolarHBondContact O-N 3.43Å; K231-S234 PolarHBondContact O-OG 2.92Å; K231-T235 VanDerWaalsContact O-CB 3.32Å; K231-T235 WeakPolarHBondContact O-CB 3.36Å; K231-T235 PolarHBondContact O-N 2.91Å; K231-T235 PolarHBondContact O-OG1 3.06Å
232K98.4Very high97Very high1 Ų170 Ų700%0.00433%0.332CS..Hα-helixtrans-66.1-45.9174.8-77.9-174.3-178.2-150.30111.7A177 R178 A180 I182 W213 I228 S229 E230 S234 T235A177-K232 PolarHBondContact O-NZ 2.88Å; R178-K232 WeakPolarHBondContact O-CE 3.45Å; R178-K232 PolarHBondContact O-NZ 3.35Å; A180-K232 PolarHBondContact O-NZ 3.46Å; I182-K232 HydrophobicContact CG1-CB 4.26Å; W213-K232 HydrophobicContact CD2-CD 4.44Å; W213-K232 HydrophobicContact CD2-CG 3.62Å; W213-K232 HydrophobicContact CE3-CG 3.67Å; W213-K232 HydrophobicContact CG-CG 4.11Å; W213-K232 HydrophobicContact CH2-CG 4.23Å; W213-K232 HydrophobicContact CZ2-CD 4.41Å; W213-K232 HydrophobicContact CZ2-CG 4.17Å; W213-K232 HydrophobicContact CZ3-CG 3.99Å; W213-K232 VanDerWaalsContact NE1-CE 3.33Å; I228-K232 HydrophobicContact CG2-CD 4.29Å; I228-K232 HydrophobicContact CG2-CG 4.44Å; I228-K232 WeakPolarHBondContact O-CG 3.35Å; I228-K232 PolarHBondContact O-N 3.04Å; S229-K232 PolarHBondContact O-N 2.95Å; S229-K232 VanDerWaalsContact O-N 3.16Å; E230-K232 VanDerWaalsContact C-N 3.34Å; E230-K232 PolarHBondContact O-N 3.48Å; K232-S234 VanDerWaalsContact C-N 3.33Å; K232-T235 PolarHBondContact O-N 3.2Å
233M97.5Very high97.3Very high85 Ų8565.1 Ų65.142%0.41934%0.339SS..Hα-helixtrans-66.6-36.3178.9-66.8174.7-161.300111.9I182 L186 S229 E230 T235I182-M233 HydrophobicContact CD1-CG 4.22Å; I182-M233 HydrophobicContact CG2-CE 3.96Å; I182-M233 HydrophobicContact CG2-CG 4.01Å; L186-M233 HydrophobicContact CD1-CE 4.33Å; L186-M233 HydrophobicContact CD2-CE 3.34Å; L186-M233 HydrophobicContact CD2-SD 4.35Å; L186-M233 HydrophobicContact CG-CE 3.68Å; S229-M233 WeakPolarHBondContact O-CG 3.33Å; S229-M233 PolarHBondContact O-N 3.49Å; S229-M233 WeakPolarHBondContact OG-CE 3.33Å; E230-M233 PolarHBondContact O-N 3.44Å; M233-T235 VanDerWaalsContact C-N 3.31Å; M233-T235 PolarHBondContact O-N 3.33Å
234S98.2Very high97.5Very high80 Ų8065.4 Ų65.456%0.55934%0.338SS*.THydrogen-bonded Turntrans-83.4-1.1-179.784.90000114.2E230 K231 K232 P236E230-S234 VanDerWaalsContact O-CB 3.31Å; E230-S234 WeakPolarHBondContact O-CB 3.3Å; E230-S234 PolarHBondContact O-N 3.1Å; E230-S234 PolarHBondContact O-OG 3.08Å; K231-S234 PolarHBondContact O-OG 2.92Å; K232-S234 VanDerWaalsContact C-N 3.33Å; S234-P236 WeakPolarHBondContact O-CD 3.38Å
235T98.5Very high97.7Very high12 Ų1262.2 Ų62.27%0.07433%0.327CS..SBendtrans-107.9102.7178.6-56.70000108.7P212 K231 K232 M233 V239 L240P212-T235 HydrophobicContact CG-CG2 4.36Å; K231-T235 VanDerWaalsContact O-CB 3.32Å; K231-T235 WeakPolarHBondContact O-CB 3.36Å; K231-T235 PolarHBondContact O-N 2.91Å; K231-T235 PolarHBondContact O-OG1 3.06Å; K232-T235 PolarHBondContact O-N 3.2Å; M233-T235 VanDerWaalsContact C-N 3.31Å; M233-T235 PolarHBondContact O-N 3.33Å; T235-V239 HydrophobicContact CG2-CG1 4.37Å; T235-L240 HydrophobicContact CG2-CB 4.17Å
236P98.3Very high98Very high67 Ų6763.3 Ų63.344%0.43534%0.343SS..  trans-55.9149.1174.3-24.133.4000111.6S234 E238 V239 L240S234-P236 WeakPolarHBondContact O-CD 3.38Å; P236-E238 PolarHBondContact O-N 3.17Å; P236-V239 HydrophobicContact CB-CB 4.34Å; P236-V239 HydrophobicContact CB-CG2 4Å; P236-V239 HydrophobicContact CG-CG2 4.01Å; P236-V239 WeakPolarHBondContact O-CB 3.43Å; P236-V239 PolarHBondContact O-N 3.27Å; P236-V239 VanDerWaalsContact O-N 3.08Å; P236-L240 PolarHBondContact O-N 3.39Å
237I98.6Very high98.1Very high3 Ų360.3 Ų60.32%0.01533%0.329CS..Hα-helixtrans-61.1-38.4-178.2-76.1168.2000110.6V239 L240 C241 L252 N253 R256I237-V239 VanDerWaalsContact C-N 3.26Å; I237-V239 PolarHBondContact O-N 3.37Å; I237-L240 PolarHBondContact O-N 3.25Å; I237-C241 WeakPolarHBondContact O-CB 3.45Å; I237-C241 PolarHBondContact O-N 3.27Å; I237-C241 PolarHBondContact O-SG 2.94Å; I237-L252 HydrophobicContact CD1-CB 3.81Å; I237-L252 HydrophobicContact CG1-CB 4.15Å; I237-L252 HydrophobicContact CG2-CB 3.91Å; I237-L252 HydrophobicContact CG2-CD1 4.28Å; I237-N253 WeakPolarHBondContact CD1-OD1 3.48Å; I237-R256 HydrophobicContact CD1-CG 4.32Å
238E98Very high98.2Very high108 Ų10855 Ų5551%0.50531%0.309SS..Hα-helixtrans-65.5-32179.1-61.366.2-142.100111.4P236 K242 N253P236-E238 PolarHBondContact O-N 3.17Å; E238-K242 PolarHBondContact O-N 2.73Å; E238-K242 VanDerWaalsContact O-N 3.14Å; E238-N253 PolarHBondContact OE1-ND2 3.19Å; E238-N253 VanDerWaalsContact OE1-ND2 3.11Å
239V98.5Very high98.3Very high89 Ų8955.3 Ų55.354%0.53931%0.312SS..Hα-helixtrans-74.6-42.1174.5176.20000110.6T235 P236 I237 C241 K242T235-V239 HydrophobicContact CG2-CG1 4.37Å; P236-V239 HydrophobicContact CB-CB 4.34Å; P236-V239 HydrophobicContact CB-CG2 4Å; P236-V239 HydrophobicContact CG-CG2 4.01Å; P236-V239 WeakPolarHBondContact O-CB 3.43Å; P236-V239 PolarHBondContact O-N 3.27Å; P236-V239 VanDerWaalsContact O-N 3.08Å; I237-V239 VanDerWaalsContact C-N 3.26Å; I237-V239 PolarHBondContact O-N 3.37Å; V239-C241 VanDerWaalsContact C-N 3.34Å; V239-K242 WeakPolarHBondContact O-CB 3.41Å; V239-K242 PolarHBondContact O-N 2.68Å
240L98.5Very high98.3Very high10 Ų1056.9 Ų56.95%0.05232%0.321CS..Hα-helixtrans-61.2-43.4175.5176.864.1000111.6Y201 M204 L208 L211 P212 W213 T235 P236 I237 K242 L252Y201-L240 HydrophobicContact CD1-CD2 4.1Å; Y201-L240 HydrophobicContact CE1-CD2 4.13Å; M204-L240 VanDerWaalsContact CE-O 3.31Å; M204-L240 WeakPolarHBondContact CE-O 3.46Å; M204-L240 HydrophobicContact CG-CD2 4.43Å; M204-L240 HydrophobicContact CG-CG 4.45Å; L208-L240 HydrophobicContact CD1-CD1 3.98Å; L211-L240 HydrophobicContact CD2-CD1 4.16Å; P212-L240 HydrophobicContact CG-CD1 3.88Å; W213-L240 HydrophobicContact CH2-CD1 4.11Å; W213-L240 HydrophobicContact CH2-CD2 3.9Å; W213-L240 HydrophobicContact CZ3-CD1 4.07Å; W213-L240 HydrophobicContact CZ3-CD2 4.28Å; T235-L240 HydrophobicContact CG2-CB 4.17Å; P236-L240 PolarHBondContact O-N 3.39Å; I237-L240 PolarHBondContact O-N 3.25Å; L240-K242 VanDerWaalsContact C-N 3.34Å; L240-L252 HydrophobicContact CD2-CD1 3.9Å
241C98.5Very high98.4Very high7 Ų751.1 Ų51.15%0.04729%0.294CS..THydrogen-bonded Turntrans-89.76.2-176.5-62.20000113.9M204 I237 V239 G243 Y244M204-C241 HydrophobicContact CE-CB 4.37Å; M204-C241 HydrophobicContact SD-CB 4.42Å; M204-C241 VanDerWaalsContact SD-SG 3.62Å; I237-C241 WeakPolarHBondContact O-CB 3.45Å; I237-C241 PolarHBondContact O-N 3.27Å; I237-C241 PolarHBondContact O-SG 2.94Å; V239-C241 VanDerWaalsContact C-N 3.34Å; C241-G243 PolarHBondContact O-N 3.25Å; C241-Y244 PolarHBondContact O-N 3.1Å; C241-Y244 VanDerWaalsContact O-N 3.08Å
242K98.2Very high98.4Very high166 Ų16647.2 Ų47.272%0.72228%0.277SS*.THydrogen-bonded Turntrans-56.7126.7-176.7-174.8177.7179.5179.20111.1E238 V239 L240E238-K242 PolarHBondContact O-N 2.73Å; E238-K242 VanDerWaalsContact O-N 3.14Å; V239-K242 WeakPolarHBondContact O-CB 3.41Å; V239-K242 PolarHBondContact O-N 2.68Å; L240-K242 VanDerWaalsContact C-N 3.34Å
243G97.7Very high98.4Very high82 Ų8250.4 Ų50.485%0.84529%0.294SS*.THydrogen-bonded Turntrans87.3-2.217900000115.1C241C241-G243 PolarHBondContact O-N 3.25Å
244Y98.4Very high98.5Very high81 Ų8148.4 Ų48.432%0.31828%0.283SS..SBendtrans-109.5162.2173.9-66-90000110.7M204 N207 L208 C241M204-Y244 HydrophobicContact CE-CD2 4.11Å; M204-Y244 HydrophobicContact CE-CG 4.47Å; N207-Y244 VanDerWaalsContact C-OH 3.29Å; N207-Y244 HydrophobicContact CB-CD1 3.7Å; N207-Y244 HydrophobicContact CB-CE1 3.43Å; N207-Y244 VanDerWaalsContact CB-CE1 3.43Å; N207-Y244 HydrophobicContact CB-CG 4.36Å; N207-Y244 PolarHBondContact O-OH 3.09Å; L208-Y244 HydrophobicContact CD2-CD2 4.32Å; L208-Y244 HydrophobicContact CD2-CE2 3.43Å; L208-Y244 VanDerWaalsContact CD2-CE2 3.43Å; L208-Y244 HydrophobicContact CG-CE2 4.1Å; C241-Y244 PolarHBondContact O-N 3.1Å; C241-Y244 VanDerWaalsContact O-N 3.08Å
245P98.6Very high98.5Very high33 Ų3344.6 Ų44.621%0.21426%0.257CS..  trans-51.6142177-28.935.5000113.8L102 E247 F248 L276L102-P245 HydrophobicContact CD1-CG 4.23Å; L102-P245 HydrophobicContact CD2-CG 3.9Å; P245-E247 VanDerWaalsContact CB-OE2 3.3Å; P245-E247 WeakPolarHBondContact CB-OE2 3.5Å; P245-E247 PolarHBondContact O-N 2.91Å; P245-F248 HydrophobicContact CB-CD2 4.21Å; P245-F248 HydrophobicContact CB-CE2 4.27Å; P245-F248 HydrophobicContact CG-CD2 4.5Å; P245-F248 HydrophobicContact CG-CE2 4.19Å; P245-F248 WeakPolarHBondContact O-CD2 3.42Å; P245-F248 PolarHBondContact O-N 3.47Å; P245-F248 VanDerWaalsContact O-N 3.15Å; P245-L276 HydrophobicContact CB-CD1 4.02Å; P245-L276 HydrophobicContact CB-CD2 3.5Å; P245-L276 HydrophobicContact CB-CG 4.42Å; P245-L276 HydrophobicContact CG-CD1 4.3Å; P245-L276 HydrophobicContact CG-CD2 3.87Å
246S98.5Very high98.5Very high76 Ų7647.9 Ų47.953%0.53127%0.268SS..Hα-helixtrans-62.3-16.7-176.247.20000114.2F248 S249 T250S246-F248 PolarHBondContact O-N 3.18Å; S246-S249 PolarHBondContact O-N 3.1Å; S246-S249 PolarHBondContact O-OG 3Å; S246-T250 WeakPolarHBondContact O-CB 3.26Å; S246-T250 PolarHBondContact O-N 3.09Å; S246-T250 PolarHBondContact O-OG1 3.04Å
247E98.7Very high98.5Very high18 Ų1848.9 Ų48.98%0.08428%0.276CS..Hα-helixtrans-60-33.6175.1-71.868.2-15500111.9P245 T250 Y251 L272 F273 L276 R279P245-E247 VanDerWaalsContact CB-OE2 3.3Å; P245-E247 WeakPolarHBondContact CB-OE2 3.5Å; P245-E247 PolarHBondContact O-N 2.91Å; E247-T250 PolarHBondContact O-N 3.06Å; E247-Y251 VanDerWaalsContact O-CB 3.27Å; E247-Y251 WeakPolarHBondContact O-CB 3.46Å; E247-Y251 PolarHBondContact O-N 3.09Å; E247-L272 HydrophobicContact CG-CB 4.31Å; E247-F273 HydrophobicContact CB-CD1 4.06Å; E247-F273 HydrophobicContact CB-CE1 3.98Å; E247-L276 HydrophobicContact CB-CD2 4.19Å; E247-L276 HydrophobicContact CG-CB 4Å; E247-L276 HydrophobicContact CG-CD2 4.15Å; E247-R279 IonicContact OE1-CZ 2.73Å; E247-R279 IonicContact OE1-NH2 3.72Å; E247-R279 PolarHBondContact OE1-NH2 3.48Å; E247-R279 IonicContact OE2-NH2 2.92Å
248F98.8Very high98.5Very high4 Ų449.4 Ų49.42%0.01828%0.279CS..Hα-helixtrans-68.2-42178.5-67.4-76.1000112.2L102 V105 L106 L203 M204 N207 P245 S246 L252 F273L102-F248 HydrophobicContact CD1-CE2 3.74Å; L102-F248 HydrophobicContact CD1-CZ 3.83Å; V105-F248 HydrophobicContact CG1-CE1 3.89Å; V105-F248 HydrophobicContact CG1-CZ 3.93Å; L106-F248 HydrophobicContact CD2-CZ 4.21Å; L203-F248 HydrophobicContact CB-CD1 4.35Å; L203-F248 HydrophobicContact CB-CE1 4.15Å; M204-F248 HydrophobicContact SD-CB 3.67Å; M204-F248 HydrophobicContact SD-CD1 4.1Å; M204-F248 HydrophobicContact SD-CG 3.93Å; N207-F248 WeakPolarHBondContact ND2-CE1 3.48Å; N207-F248 WeakPolarHBondContact ND2-CE2 3.26Å; N207-F248 WeakPolarHBondContact ND2-CZ 3.27Å; P245-F248 HydrophobicContact CB-CD2 4.21Å; P245-F248 HydrophobicContact CB-CE2 4.27Å; P245-F248 HydrophobicContact CG-CD2 4.5Å; P245-F248 HydrophobicContact CG-CE2 4.19Å; P245-F248 WeakPolarHBondContact O-CD2 3.42Å; P245-F248 PolarHBondContact O-N 3.47Å; P245-F248 VanDerWaalsContact O-N 3.15Å; S246-F248 PolarHBondContact O-N 3.18Å; F248-L252 PolarHBondContact O-N 2.86Å; F248-F273 AromaticContact CD1-CE1 3.82Å; F248-F273 HydrophobicContact CD1-CE1 3.82Å; F248-F273 HydrophobicContact CD1-CZ 4.1Å; F248-F273 AromaticContact CE1-CE1 3.8Å; F248-F273 HydrophobicContact CE1-CE1 3.8Å; F248-F273 HydrophobicContact CE1-CZ 4.25Å; F248-F273 HydrophobicContact CG-CE1 4.3Å; F248-F273 HydrophobicContact CZ-CE1 4.27Å
249S98.7Very high98.5Very high20 Ų2052.8 Ų52.814%0.1429%0.287CS..Hα-helixtrans-69.3-40.6174.554.40000111.2S246 Y251 L252 N253S246-S249 PolarHBondContact O-N 3.1Å; S246-S249 PolarHBondContact O-OG 3Å; S249-Y251 VanDerWaalsContact C-N 3.34Å; S249-Y251 PolarHBondContact O-N 2.85Å; S249-L252 PolarHBondContact O-N 3.29Å; S249-N253 VanDerWaalsContact O-CB 3.31Å; S249-N253 WeakPolarHBondContact O-CB 3.4Å; S249-N253 PolarHBondContact O-N 3.36Å; S249-N253 PolarHBondContact O-ND2 3.09Å
250T98.7Very high98.5Very high48 Ų4849.5 Ų49.529%0.29427%0.266SS..Hα-helixtrans-58.8-44.9175.6-55.10000111.4S246 E247 N253 F254 Y268 L272S246-T250 WeakPolarHBondContact O-CB 3.26Å; S246-T250 PolarHBondContact O-N 3.09Å; S246-T250 PolarHBondContact O-OG1 3.04Å; E247-T250 PolarHBondContact O-N 3.06Å; T250-N253 PolarHBondContact O-N 3.13Å; T250-F254 WeakPolarHBondContact O-CB 3.49Å; T250-F254 PolarHBondContact O-N 3.14Å; T250-Y268 WeakPolarHBondContact CG2-OH 3.5Å; T250-L272 HydrophobicContact CG2-CD1 3.9Å; T250-L272 HydrophobicContact CG2-CD2 4.14Å
251Y98.9Very high98.5Very high2 Ų253.6 Ų53.61%0.00829%0.288CS..Hα-helixtrans-58.1-50.8175.9179.3-79.3000111.9I113 L196 E247 S249 F254 C255 L269 F273I113-Y251 HydrophobicContact CD1-CE2 3.89Å; I113-Y251 HydrophobicContact CG1-CE2 4.27Å; L196-Y251 WeakPolarHBondContact O-CE1 3.19Å; L196-Y251 PolarHBondContact O-OH 2.94Å; E247-Y251 VanDerWaalsContact O-CB 3.27Å; E247-Y251 WeakPolarHBondContact O-CB 3.46Å; E247-Y251 PolarHBondContact O-N 3.09Å; S249-Y251 VanDerWaalsContact C-N 3.34Å; S249-Y251 PolarHBondContact O-N 2.85Å; Y251-F254 PolarHBondContact O-N 3.25Å; Y251-C255 VanDerWaalsContact CE1-SG 3.53Å; Y251-C255 PolarHBondContact O-N 3.39Å; Y251-C255 PolarHBondContact O-SG 2.99Å; Y251-L269 HydrophobicContact CD2-CB 4.19Å; Y251-L269 HydrophobicContact CD2-CD1 4.47Å; Y251-L269 HydrophobicContact CD2-CD2 3.66Å; Y251-L269 HydrophobicContact CD2-CG 4.32Å; Y251-L269 HydrophobicContact CE2-CB 4.01Å; Y251-L269 HydrophobicContact CE2-CD1 3.93Å; Y251-L269 HydrophobicContact CE2-CD2 3.99Å; Y251-L269 HydrophobicContact CE2-CG 4.2Å; Y251-L269 HydrophobicContact CG-CD2 4.31Å; Y251-F273 HydrophobicContact CD2-CD2 4.48Å; Y251-F273 AromaticContact CD2-CE2 3.42Å; Y251-F273 HydrophobicContact CD2-CE2 3.42Å; Y251-F273 VanDerWaalsContact CD2-CE2 3.42Å; Y251-F273 AromaticContact CD2-CZ 3.78Å; Y251-F273 HydrophobicContact CD2-CZ 3.78Å; Y251-F273 AromaticContact CE2-CE2 3.93Å; Y251-F273 HydrophobicContact CE2-CE2 3.93Å; Y251-F273 HydrophobicContact CG-CE2 4.09Å; Y251-F273 AromaticContact CG-CZ 3.96Å; Y251-F273 HydrophobicContact CG-CZ 3.96Å
252L98.8Very high98.5Very high0 Ų056 Ų560%030%0.3CS..Hα-helixtrans-66-41.1-179.3-79.8169.2000111.9E197 Y201 M204 I237 L240 F248 S249 C255 R256E197-L252 HydrophobicContact CG-CD2 4.45Å; Y201-L252 HydrophobicContact CD1-CD2 4.12Å; Y201-L252 HydrophobicContact CE1-CD2 3.99Å; M204-L252 HydrophobicContact CG-CD1 4.19Å; I237-L252 HydrophobicContact CD1-CB 3.81Å; I237-L252 HydrophobicContact CG1-CB 4.15Å; I237-L252 HydrophobicContact CG2-CB 3.91Å; I237-L252 HydrophobicContact CG2-CD1 4.28Å; L240-L252 HydrophobicContact CD2-CD1 3.9Å; F248-L252 PolarHBondContact O-N 2.86Å; S249-L252 PolarHBondContact O-N 3.29Å; L252-C255 PolarHBondContact O-N 2.69Å; L252-R256 WeakPolarHBondContact O-CG 3.46Å; L252-R256 PolarHBondContact O-N 2.93Å
253N98.7Very high98.6Very high67 Ų6755.7 Ų55.736%0.35830%0.299SS..Hα-helixtrans-62.9-41.6176.1-81.7-39.6000111.3I237 E238 S249 T250 R256 S257I237-N253 WeakPolarHBondContact CD1-OD1 3.48Å; E238-N253 PolarHBondContact OE1-ND2 3.19Å; E238-N253 VanDerWaalsContact OE1-ND2 3.11Å; S249-N253 VanDerWaalsContact O-CB 3.31Å; S249-N253 WeakPolarHBondContact O-CB 3.4Å; S249-N253 PolarHBondContact O-N 3.36Å; S249-N253 PolarHBondContact O-ND2 3.09Å; T250-N253 PolarHBondContact O-N 3.13Å; N253-R256 PolarHBondContact O-N 3.35Å; N253-S257 PolarHBondContact O-N 3.24Å; N253-S257 PolarHBondContact O-OG 3.47Å
254F98.8Very high98.6Very high44 Ų4452 Ų5219%0.19326%0.259CS..Hα-helixtrans-60-47.6172.7-178.5-83.4000111.6T250 Y251 R256 S257 L258 D265 Y268 L269T250-F254 WeakPolarHBondContact O-CB 3.49Å; T250-F254 PolarHBondContact O-N 3.14Å; Y251-F254 PolarHBondContact O-N 3.25Å; F254-R256 VanDerWaalsContact C-N 3.29Å; F254-R256 PolarHBondContact O-N 3.46Å; F254-S257 PolarHBondContact O-N 3.17Å; F254-S257 PolarHBondContact O-OG 3.28Å; F254-L258 HydrophobicContact CD1-CD1 4.3Å; F254-L258 HydrophobicContact CD1-CG 4.41Å; F254-L258 HydrophobicContact CE1-CD1 4.03Å; F254-L258 HydrophobicContact CE1-CD2 3.99Å; F254-L258 HydrophobicContact CE1-CG 4.16Å; F254-L258 HydrophobicContact CZ-CD2 4.24Å; F254-L258 PolarHBondContact O-N 3.49Å; F254-D265 HydrophobicContact CZ-CB 3.97Å; F254-Y268 HydrophobicContact CB-CE1 4.45Å; F254-Y268 AromaticContact CD2-CD1 3.74Å; F254-Y268 HydrophobicContact CD2-CD1 3.74Å; F254-Y268 AromaticContact CD2-CE1 3.49Å; F254-Y268 HydrophobicContact CD2-CE1 3.49Å; F254-Y268 VanDerWaalsContact CD2-CE1 3.49Å; F254-Y268 AromaticContact CE2-CD1 3.68Å; F254-Y268 HydrophobicContact CE2-CD1 3.68Å; F254-Y268 AromaticContact CE2-CE1 3.9Å; F254-Y268 HydrophobicContact CE2-CE1 3.9Å; F254-Y268 HydrophobicContact CG-CD1 4.34Å; F254-Y268 HydrophobicContact CG-CE1 4.08Å; F254-Y268 HydrophobicContact CZ-CD1 4.24Å; F254-L269 HydrophobicContact CB-CD2 4.14Å; F254-L269 HydrophobicContact CD1-CD1 4.1Å; F254-L269 HydrophobicContact CD1-CD2 3.57Å; F254-L269 HydrophobicContact CD1-CG 4.07Å; F254-L269 HydrophobicContact CE1-CD1 4.08Å; F254-L269 HydrophobicContact CE1-CD2 4.1Å; F254-L269 HydrophobicContact CE1-CG 4.11Å; F254-L269 HydrophobicContact CG-CD2 3.87Å
255C98.7Very high98.6Very high0 Ų052.1 Ų52.10%027%0.266CS..Hα-helixtrans-61.7-39.1-179.8-64.10000112.1E197 Y251 L252E197-C255 HydrophobicContact CB-CB 4.11Å; Y251-C255 VanDerWaalsContact CE1-SG 3.53Å; Y251-C255 PolarHBondContact O-N 3.39Å; Y251-C255 PolarHBondContact O-SG 2.99Å; L252-C255 PolarHBondContact O-N 2.69Å
256R98.1Very high98.6Very high80 Ų8051 Ų5130%0.30226%0.258SS..Hα-helixtrans-72.6-23.9177.8-72.4-164.8-176170.41.9113.9I182 E197 Y201 I237 L252 N253 F254I182-R256 VanDerWaalsContact CD1-CZ 3.43Å; E197-R256 IonicContact OE1-NE 3.95Å; Y201-R256 PolarHBondContact OH-NH2 3.33Å; I237-R256 HydrophobicContact CD1-CG 4.32Å; L252-R256 WeakPolarHBondContact O-CG 3.46Å; L252-R256 PolarHBondContact O-N 2.93Å; N253-R256 PolarHBondContact O-N 3.35Å; F254-R256 VanDerWaalsContact C-N 3.29Å; F254-R256 PolarHBondContact O-N 3.46Å
257S98.4Very high98.6Very high88 Ų8850.8 Ų50.862%0.61526%0.256SS*.Hα-helixtrans-82.3-16.617970.70000113.8N253 F254 R259N253-S257 PolarHBondContact O-N 3.24Å; N253-S257 PolarHBondContact O-OG 3.47Å; F254-S257 PolarHBondContact O-N 3.17Å; F254-S257 PolarHBondContact O-OG 3.28Å; S257-R259 PolarHBondContact O-N 3.01Å
258L98.6Very high98.6Very high14 Ų1454.1 Ų54.17%0.07327%0.268CS..  trans-62.2133.7177.3-69.4168.7000111.8R193 F254 D262 P264R193-L258 HydrophobicContact CB-CB 3.79Å; R193-L258 HydrophobicContact CB-CD1 3.76Å; R193-L258 HydrophobicContact CB-CG 4.45Å; R193-L258 VanDerWaalsContact CD-O 3.27Å; R193-L258 WeakPolarHBondContact CD-O 3.49Å; R193-L258 PolarHBondContact NH1-O 3.09Å; F254-L258 HydrophobicContact CD1-CD1 4.3Å; F254-L258 HydrophobicContact CD1-CG 4.41Å; F254-L258 HydrophobicContact CE1-CD1 4.03Å; F254-L258 HydrophobicContact CE1-CD2 3.99Å; F254-L258 HydrophobicContact CE1-CG 4.16Å; F254-L258 HydrophobicContact CZ-CD2 4.24Å; F254-L258 PolarHBondContact O-N 3.49Å; L258-D262 HydrophobicContact CB-CB 4.45Å; L258-D262 HydrophobicContact CD2-CB 3.9Å; L258-P264 HydrophobicContact CD1-CB 4.05Å; L258-P264 HydrophobicContact CD1-CG 4.01Å
259R98.7Very high98.6Very high180 Ų18053.9 Ų53.968%0.67927%0.267SS*.  trans-68.1164.7166.9-56175179.4-178.51.1110.1S257 D261 D262S257-R259 PolarHBondContact O-N 3.01Å; R259-D261 VanDerWaalsContact C-N 3.26Å; R259-D261 PolarHBondContact O-N 2.89Å; R259-D262 HydrophobicContact CB-CB 4.39Å; R259-D262 WeakPolarHBondContact CB-OD2 3.36Å; R259-D262 WeakPolarHBondContact CG-OD2 3.25Å; R259-D262 PolarHBondContact N-OD2 3.03Å; R259-D262 PolarHBondContact O-N 2.91Å
260F98.7Very high98.6Very high20 Ų2054.2 Ų54.29%0.08827%0.266CS..THydrogen-bonded Turntrans-59.4-36.3-175.9172.6-109.4000113.3H164 I165 Y167 E189 S191H164-F260 AromaticContact CE1-CD1 3.93Å; H164-F260 AromaticContact CE1-CE1 3.55Å; H164-F260 AromaticContact CE1-CZ 3.76Å; H164-F260 PolarHBondContact CE1-O 2.86Å; H164-F260 AromaticContact ND1-CE1 3.58Å; H164-F260 PolarHBondContact NE2-O 3.17Å; I165-F260 HydrophobicContact CD1-CZ 4.32Å; I165-F260 HydrophobicContact CG1-CZ 4.07Å; I165-F260 VanDerWaalsContact O-CE1 3.32Å; I165-F260 WeakPolarHBondContact O-CE1 3.13Å; Y167-F260 HydrophobicContact CD2-CB 4.03Å; Y167-F260 HydrophobicContact CD2-CD1 4Å; Y167-F260 HydrophobicContact CD2-CD2 4.04Å; Y167-F260 HydrophobicContact CD2-CE1 4.46Å; Y167-F260 AromaticContact CD2-CG 3.75Å; Y167-F260 HydrophobicContact CD2-CG 3.75Å; E189-F260 HydrophobicContact CB-CE2 4.3Å; E189-F260 HydrophobicContact CB-CZ 4.42Å; E189-F260 HydrophobicContact CG-CZ 4.47Å; E189-F260 WeakPolarHBondContact O-CE2 3.28Å; S191-F260 WeakPolarHBondContact CB-O 3.42Å; S191-F260 PolarHBondContact OG-O 3.47Å
261D98.4Very high98.6Very high95 Ų9555.1 Ų55.151%0.50827%0.266SS..THydrogen-bonded Turntrans-107.87.4-176.162.2-28000113.8H164 R192 R259H164-D261 HydrophobicContact CB-CB 4.17Å; R192-D261 PolarHBondContact NH2-O 3.34Å; R259-D261 VanDerWaalsContact C-N 3.26Å; R259-D261 PolarHBondContact O-N 2.89Å
262D98.6Very high98.6Very high57 Ų5756.1 Ų56.131%0.30527%0.272SS..  trans-63.4142.7175.6-79.4-16000111.1R192 L258 R259 P264R192-D262 PolarHBondContact NE-O 3.13Å; R192-D262 VanDerWaalsContact NH2-C 3.34Å; R192-D262 PolarHBondContact NH2-O 3.44Å; L258-D262 HydrophobicContact CB-CB 4.45Å; L258-D262 HydrophobicContact CD2-CB 3.9Å; R259-D262 HydrophobicContact CB-CB 4.39Å; R259-D262 WeakPolarHBondContact CB-OD2 3.36Å; R259-D262 WeakPolarHBondContact CG-OD2 3.25Å; R259-D262 PolarHBondContact N-OD2 3.03Å; R259-D262 PolarHBondContact O-N 2.91Å; D262-P264 WeakPolarHBondContact O-CD 3.34Å
263K98.6Very high98.6Very high161 Ų16156.2 Ų56.270%0.727%0.272SS*.  trans-84.1113.7164.6-177.6-173.8174.2-170.30107.6
264P98.6Very high98.6Very high3 Ų356.7 Ų56.72%0.01927%0.269CS..  trans-60.2145.1177.7-20.331.1000112R192 L196 L258 D262 Y266R192-P264 HydrophobicContact CB-CG 3.92Å; L196-P264 HydrophobicContact CD1-CB 3.42Å; L196-P264 VanDerWaalsContact CD1-CB 3.42Å; L196-P264 HydrophobicContact CD1-CG 3.54Å; L258-P264 HydrophobicContact CD1-CB 4.05Å; L258-P264 HydrophobicContact CD1-CG 4.01Å; D262-P264 WeakPolarHBondContact O-CD 3.34Å; P264-Y266 HydrophobicContact CB-CD1 4.3Å; P264-Y266 HydrophobicContact CB-CE1 3.92Å; P264-Y266 HydrophobicContact CB-CE2 4.23Å; P264-Y266 WeakPolarHBondContact CD-OH 3.31Å; P264-Y266 HydrophobicContact CG-CE1 4.05Å; P264-Y266 HydrophobicContact CG-CE2 4.45Å; P264-Y266 WeakPolarHBondContact O-CD2 3.45Å; P264-Y266 VanDerWaalsContact O-CE2 3.31Å; P264-Y266 WeakPolarHBondContact O-CE2 3.26Å; P264-Y266 PolarHBondContact O-N 2.99Å; P264-Y266 VanDerWaalsContact O-N 3.14Å
265D98.6Very high98.5Very high85 Ų8558 Ų5846%0.45528%0.278SS..  trans-82.582.9167.4-169.7-17.5000109.8F254 S267 Y268 L269F254-D265 HydrophobicContact CZ-CB 3.97Å; D265-S267 PolarHBondContact O-N 3.5Å; D265-S267 WeakPolarHBondContact OD1-CB 3.5Å; D265-S267 PolarHBondContact OD1-N 3.18Å; D265-S267 VanDerWaalsContact OD1-N 3.16Å; D265-Y268 VanDerWaalsContact CG-CB 3.4Å; D265-Y268 PolarHBondContact O-N 3.16Å; D265-Y268 PolarHBondContact OD1-N 2.94Å; D265-L269 WeakPolarHBondContact O-CG 3.49Å; D265-L269 PolarHBondContact O-N 2.8Å
266Y98.7Very high98.5Very high10 Ų1058.2 Ų58.24%0.03928%0.279CS..Hα-helixtrans-61.2-30178.8-52.5-81.9000112.3I113 E117 H120 L196 P264 L269 R270I113-Y266 HydrophobicContact CG2-CD1 4.37Å; E117-Y266 HydrophobicContact CB-CD1 3.79Å; E117-Y266 HydrophobicContact CB-CD2 4.16Å; E117-Y266 HydrophobicContact CB-CE1 4.15Å; E117-Y266 HydrophobicContact CB-CG 3.8Å; E117-Y266 HydrophobicContact CG-CD1 4.22Å; E117-Y266 HydrophobicContact CG-CD2 3.64Å; E117-Y266 HydrophobicContact CG-CE2 4.04Å; E117-Y266 HydrophobicContact CG-CG 3.76Å; E117-Y266 WeakPolarHBondContact OE1-CD2 3.31Å; H120-Y266 WeakPolarHBondContact CB-OH 3.21Å; H120-Y266 AromaticContact ND1-CE1 3.51Å; H120-Y266 AromaticContact ND1-CZ 3.54Å; H120-Y266 PolarHBondContact ND1-OH 2.77Å; L196-Y266 HydrophobicContact CD1-CD1 4.27Å; L196-Y266 HydrophobicContact CD1-CE1 3.91Å; L196-Y266 HydrophobicContact CD2-CD1 4.29Å; L196-Y266 HydrophobicContact CD2-CE1 4.26Å; L196-Y266 HydrophobicContact CG-CE1 4.46Å; P264-Y266 HydrophobicContact CB-CD1 4.3Å; P264-Y266 HydrophobicContact CB-CE1 3.92Å; P264-Y266 HydrophobicContact CB-CE2 4.23Å; P264-Y266 WeakPolarHBondContact CD-OH 3.31Å; P264-Y266 HydrophobicContact CG-CE1 4.05Å; P264-Y266 HydrophobicContact CG-CE2 4.45Å; P264-Y266 WeakPolarHBondContact O-CD2 3.45Å; P264-Y266 VanDerWaalsContact O-CE2 3.31Å; P264-Y266 WeakPolarHBondContact O-CE2 3.26Å; P264-Y266 PolarHBondContact O-N 2.99Å; P264-Y266 VanDerWaalsContact O-N 3.14Å; Y266-L269 PolarHBondContact O-N 3.17Å; Y266-R270 PolarHBondContact O-N 3.07Å
267S98.5Very high98.5Very high71 Ų7154.7 Ų54.750%0.49727%0.266SS..Hα-helixtrans-68.9-46.9179.8-1670000110.7D265 L269 R270 Q271D265-S267 PolarHBondContact O-N 3.5Å; D265-S267 WeakPolarHBondContact OD1-CB 3.5Å; D265-S267 PolarHBondContact OD1-N 3.18Å; D265-S267 VanDerWaalsContact OD1-N 3.16Å; S267-L269 VanDerWaalsContact C-N 3.34Å; S267-L269 PolarHBondContact O-N 3.01Å; S267-R270 PolarHBondContact O-N 3.12Å; S267-Q271 WeakPolarHBondContact O-CB 3.41Å; S267-Q271 PolarHBondContact O-N 2.95Å
268Y98.6Very high98.5Very high87 Ų8756.2 Ų56.234%0.34126%0.263SS..Hα-helixtrans-55-48.9172.6169-106000111.7T250 F254 D265 R270 Q271 L272T250-Y268 WeakPolarHBondContact CG2-OH 3.5Å; F254-Y268 HydrophobicContact CB-CE1 4.45Å; F254-Y268 AromaticContact CD2-CD1 3.74Å; F254-Y268 HydrophobicContact CD2-CD1 3.74Å; F254-Y268 AromaticContact CD2-CE1 3.49Å; F254-Y268 HydrophobicContact CD2-CE1 3.49Å; F254-Y268 VanDerWaalsContact CD2-CE1 3.49Å; F254-Y268 AromaticContact CE2-CD1 3.68Å; F254-Y268 HydrophobicContact CE2-CD1 3.68Å; F254-Y268 AromaticContact CE2-CE1 3.9Å; F254-Y268 HydrophobicContact CE2-CE1 3.9Å; F254-Y268 HydrophobicContact CG-CD1 4.34Å; F254-Y268 HydrophobicContact CG-CE1 4.08Å; F254-Y268 HydrophobicContact CZ-CD1 4.24Å; D265-Y268 VanDerWaalsContact CG-CB 3.4Å; D265-Y268 PolarHBondContact O-N 3.16Å; D265-Y268 PolarHBondContact OD1-N 2.94Å; Y268-R270 PolarHBondContact O-N 3.4Å; Y268-Q271 PolarHBondContact O-N 2.87Å; Y268-Q271 VanDerWaalsContact O-N 3.08Å; Y268-L272 HydrophobicContact CD1-CD1 4.35Å; Y268-L272 HydrophobicContact CE1-CD1 3.73Å; Y268-L272 HydrophobicContact CE1-CG 4.22Å; Y268-L272 HydrophobicContact CE2-CD2 3.98Å; Y268-L272 HydrophobicContact CE2-CG 4.16Å; Y268-L272 PolarHBondContact O-N 3.24Å
269L98.7Very high98.5Very high0 Ų063.1 Ų63.10%029%0.288CS..Hα-helixtrans-61-41.3-179.6-67.2179000112.9I113 L196 Y251 F254 D265 Y266 S267 L272I113-L269 HydrophobicContact CD1-CB 4.19Å; L196-L269 HydrophobicContact CD1-CD1 3.95Å; L196-L269 HydrophobicContact CD2-CD1 4.37Å; Y251-L269 HydrophobicContact CD2-CB 4.19Å; Y251-L269 HydrophobicContact CD2-CD1 4.47Å; Y251-L269 HydrophobicContact CD2-CD2 3.66Å; Y251-L269 HydrophobicContact CD2-CG 4.32Å; Y251-L269 HydrophobicContact CE2-CB 4.01Å; Y251-L269 HydrophobicContact CE2-CD1 3.93Å; Y251-L269 HydrophobicContact CE2-CD2 3.99Å; Y251-L269 HydrophobicContact CE2-CG 4.2Å; Y251-L269 HydrophobicContact CG-CD2 4.31Å; F254-L269 HydrophobicContact CB-CD2 4.14Å; F254-L269 HydrophobicContact CD1-CD1 4.1Å; F254-L269 HydrophobicContact CD1-CD2 3.57Å; F254-L269 HydrophobicContact CD1-CG 4.07Å; F254-L269 HydrophobicContact CE1-CD1 4.08Å; F254-L269 HydrophobicContact CE1-CD2 4.1Å; F254-L269 HydrophobicContact CE1-CG 4.11Å; F254-L269 HydrophobicContact CG-CD2 3.87Å; D265-L269 WeakPolarHBondContact O-CG 3.49Å; D265-L269 PolarHBondContact O-N 2.8Å; Y266-L269 PolarHBondContact O-N 3.17Å; S267-L269 VanDerWaalsContact C-N 3.34Å; S267-L269 PolarHBondContact O-N 3.01Å; L269-L272 HydrophobicContact CD2-CD1 4.33Å
270R98.7Very high98.4Very high27 Ų2759.2 Ų59.210%0.10228%0.278CS..Hα-helixtrans-66.1-42172-76.9-172.2-68.1-91.5-2.2111.9D110 I113 S114 E117 Y266 S267 Y268 L272 F273 R274D110-R270 WeakPolarHBondContact OD1-CD 3.38Å; I113-R270 HydrophobicContact CB-CG 4.03Å; I113-R270 HydrophobicContact CD1-CG 4.06Å; I113-R270 HydrophobicContact CG2-CG 3.86Å; S114-R270 PolarHBondContact OG-NH1 3.48Å; E117-R270 IonicContact OE1-NH2 3.18Å; E117-R270 IonicContact OE2-CZ 2.61Å; E117-R270 IonicContact OE2-NH1 3.95Å; E117-R270 PolarHBondContact OE2-NH1 3.19Å; E117-R270 IonicContact OE2-NH2 3.72Å; E117-R270 PolarHBondContact OE2-NH2 3.19Å; Y266-R270 PolarHBondContact O-N 3.07Å; S267-R270 PolarHBondContact O-N 3.12Å; Y268-R270 PolarHBondContact O-N 3.4Å; R270-L272 VanDerWaalsContact C-N 3.28Å; R270-L272 PolarHBondContact O-N 3.43Å; R270-F273 PolarHBondContact O-N 3.42Å; R270-R274 WeakPolarHBondContact O-CG 3.24Å; R270-R274 PolarHBondContact O-N 3.08Å
271Q98.4Very high98.4Very high66 Ų6661.3 Ų61.331%0.30831%0.305SS..Hα-helixtrans-64.2-33.8-177.1-164.16338.300112.1S267 Y268 F273 R274 N275S267-Q271 WeakPolarHBondContact O-CB 3.41Å; S267-Q271 PolarHBondContact O-N 2.95Å; Y268-Q271 PolarHBondContact O-N 2.87Å; Y268-Q271 VanDerWaalsContact O-N 3.08Å; Q271-F273 PolarHBondContact O-N 2.72Å; Q271-R274 PolarHBondContact O-N 3.21Å; Q271-N275 PolarHBondContact NE2-OD1 3.29Å; Q271-N275 VanDerWaalsContact O-CB 3.25Å; Q271-N275 WeakPolarHBondContact O-CB 3.08Å; Q271-N275 PolarHBondContact O-N 2.7Å; Q271-N275 PolarHBondContact O-ND2 2.95Å
272L98.4Very high98.4Very high23 Ų2359.7 Ų59.712%0.1229%0.293CS..Hα-helixtrans-51.9-55.1170.9-72.5175.5000111.1E247 T250 Y268 L269 R270 L276E247-L272 HydrophobicContact CG-CB 4.31Å; T250-L272 HydrophobicContact CG2-CD1 3.9Å; T250-L272 HydrophobicContact CG2-CD2 4.14Å; Y268-L272 HydrophobicContact CD1-CD1 4.35Å; Y268-L272 HydrophobicContact CE1-CD1 3.73Å; Y268-L272 HydrophobicContact CE1-CG 4.22Å; Y268-L272 HydrophobicContact CE2-CD2 3.98Å; Y268-L272 HydrophobicContact CE2-CG 4.16Å; Y268-L272 PolarHBondContact O-N 3.24Å; L269-L272 HydrophobicContact CD2-CD1 4.33Å; R270-L272 VanDerWaalsContact C-N 3.28Å; R270-L272 PolarHBondContact O-N 3.43Å; L272-L276 PolarHBondContact O-N 3.12Å; L272-L276 VanDerWaalsContact O-N 3.15Å
273F98.7Very high98.2Very high3 Ų360.7 Ų60.71%0.01330%0.304CS..Hα-helixtrans-72.8-35.9-177.8-65.3-49.9000113L106 A109 I113 L203 E247 F248 Y251 R270 Q271 L276 F277L106-F273 HydrophobicContact CD2-CB 3.84Å; L106-F273 HydrophobicContact CD2-CD1 3.47Å; L106-F273 VanDerWaalsContact CD2-CD1 3.47Å; L106-F273 HydrophobicContact CD2-CE1 4.34Å; L106-F273 HydrophobicContact CD2-CG 3.93Å; A109-F273 HydrophobicContact CB-CD2 3.78Å; A109-F273 HydrophobicContact CB-CE2 4.09Å; A109-F273 HydrophobicContact CB-CG 4.27Å; I113-F273 HydrophobicContact CD1-CD2 4.07Å; I113-F273 HydrophobicContact CD1-CE2 4.21Å; L203-F273 HydrophobicContact CD1-CE2 3.81Å; L203-F273 HydrophobicContact CD1-CZ 3.87Å; E247-F273 HydrophobicContact CB-CD1 4.06Å; E247-F273 HydrophobicContact CB-CE1 3.98Å; F248-F273 AromaticContact CD1-CE1 3.82Å; F248-F273 HydrophobicContact CD1-CE1 3.82Å; F248-F273 HydrophobicContact CD1-CZ 4.1Å; F248-F273 AromaticContact CE1-CE1 3.8Å; F248-F273 HydrophobicContact CE1-CE1 3.8Å; F248-F273 HydrophobicContact CE1-CZ 4.25Å; F248-F273 HydrophobicContact CG-CE1 4.3Å; F248-F273 HydrophobicContact CZ-CE1 4.27Å; Y251-F273 HydrophobicContact CD2-CD2 4.48Å; Y251-F273 AromaticContact CD2-CE2 3.42Å; Y251-F273 HydrophobicContact CD2-CE2 3.42Å; Y251-F273 VanDerWaalsContact CD2-CE2 3.42Å; Y251-F273 AromaticContact CD2-CZ 3.78Å; Y251-F273 HydrophobicContact CD2-CZ 3.78Å; Y251-F273 AromaticContact CE2-CE2 3.93Å; Y251-F273 HydrophobicContact CE2-CE2 3.93Å; Y251-F273 HydrophobicContact CG-CE2 4.09Å; Y251-F273 AromaticContact CG-CZ 3.96Å; Y251-F273 HydrophobicContact CG-CZ 3.96Å; R270-F273 PolarHBondContact O-N 3.42Å; Q271-F273 PolarHBondContact O-N 2.72Å; F273-L276 PolarHBondContact O-N 3.4Å; F273-F277 WeakPolarHBondContact O-CB 3.38Å; F273-F277 PolarHBondContact O-N 3.13Å
274R98.4Very high98Very high76 Ų7657.7 Ų57.729%0.28729%0.29SS..Hα-helixtrans-62.4-45.6173.4-71.7177.4-178.8-172.1-5.4111.5D110 R270 Q271 L276 F277 H278D110-R274 IonicContact OD1-CZ 3.93Å; D110-R274 IonicContact OD1-NE 3.21Å; D110-R274 PolarHBondContact OD1-NE 3.28Å; D110-R274 IonicContact OD1-NH2 2.86Å; D110-R274 PolarHBondContact OD1-NH2 3.23Å; D110-R274 IonicContact OD2-CZ 3.2Å; D110-R274 IonicContact OD2-NE 3.85Å; D110-R274 IonicContact OD2-NH2 2.65Å; D110-R274 PolarHBondContact OD2-NH2 2.91Å; R270-R274 WeakPolarHBondContact O-CG 3.24Å; R270-R274 PolarHBondContact O-N 3.08Å; Q271-R274 PolarHBondContact O-N 3.21Å; R274-L276 VanDerWaalsContact C-N 3.34Å; R274-L276 PolarHBondContact O-N 3.48Å; R274-F277 WeakPolarHBondContact O-CB 3.26Å; R274-F277 PolarHBondContact O-N 2.96Å; R274-H278 PolarHBondContact O-N 3.08Å; R274-H278 PolarHBondContact O-ND1 2.92Å
275N98.3Very high97.8Very high73 Ų7360.7 Ų60.739%0.3931%0.305SS..Hα-helixtrans-60.4-45.2177.2-75-13.5000111.3Q271 F277 H278 R279Q271-N275 PolarHBondContact NE2-OD1 3.29Å; Q271-N275 VanDerWaalsContact O-CB 3.25Å; Q271-N275 WeakPolarHBondContact O-CB 3.08Å; Q271-N275 PolarHBondContact O-N 2.7Å; Q271-N275 PolarHBondContact O-ND2 2.95Å; N275-F277 VanDerWaalsContact C-N 3.35Å; N275-F277 PolarHBondContact O-N 2.78Å; N275-H278 PolarHBondContact O-N 2.74Å; N275-R279 WeakPolarHBondContact O-CG 3.47Å; N275-R279 PolarHBondContact O-N 3.2Å
276L98.4Very high97.6Very high4 Ų460.8 Ų60.82%0.02130%0.3CS..Hα-helixtrans-59.9-44.9174.4175.163.1000111.8L106 P245 E247 L272 F273 R274 H278 R279 Q280L106-L276 HydrophobicContact CD1-CD2 4.01Å; L106-L276 HydrophobicContact CD1-CG 4Å; L106-L276 HydrophobicContact CD2-CD2 3.89Å; P245-L276 HydrophobicContact CB-CD1 4.02Å; P245-L276 HydrophobicContact CB-CD2 3.5Å; P245-L276 HydrophobicContact CB-CG 4.42Å; P245-L276 HydrophobicContact CG-CD1 4.3Å; P245-L276 HydrophobicContact CG-CD2 3.87Å; E247-L276 HydrophobicContact CB-CD2 4.19Å; E247-L276 HydrophobicContact CG-CB 4Å; E247-L276 HydrophobicContact CG-CD2 4.15Å; L272-L276 PolarHBondContact O-N 3.12Å; L272-L276 VanDerWaalsContact O-N 3.15Å; F273-L276 PolarHBondContact O-N 3.4Å; R274-L276 VanDerWaalsContact C-N 3.34Å; R274-L276 PolarHBondContact O-N 3.48Å; L276-H278 VanDerWaalsContact C-N 3.33Å; L276-H278 PolarHBondContact O-N 3Å; L276-R279 PolarHBondContact O-N 2.84Å; L276-Q280 HydrophobicContact CD1-CG 3.98Å; L276-Q280 HydrophobicContact CG-CG 4.41Å; L276-Q280 VanDerWaalsContact O-CG 3.3Å; L276-Q280 WeakPolarHBondContact O-CG 3.42Å; L276-Q280 PolarHBondContact O-N 2.96Å
277F98.4Very high97.4Very high6 Ų662 Ų623%0.02631%0.309CS..Hα-helixtrans-55.9-46.9178.5-170.8-86.3000112K103 L106 L107 F273 R274 N275 Q280 F282 S283 Y284K103-F277 HydrophobicContact CG-CE2 3.86Å; K103-F277 HydrophobicContact CG-CZ 4.3Å; L106-F277 HydrophobicContact CB-CD2 3.83Å; L106-F277 HydrophobicContact CD1-CB 4.11Å; L106-F277 HydrophobicContact CD1-CD2 4.12Å; L107-F277 HydrophobicContact CD2-CE2 3.77Å; L107-F277 HydrophobicContact CD2-CZ 3.89Å; L107-F277 HydrophobicContact CG-CE2 3.86Å; L107-F277 HydrophobicContact CG-CZ 4.35Å; F273-F277 WeakPolarHBondContact O-CB 3.38Å; F273-F277 PolarHBondContact O-N 3.13Å; R274-F277 WeakPolarHBondContact O-CB 3.26Å; R274-F277 PolarHBondContact O-N 2.96Å; N275-F277 VanDerWaalsContact C-N 3.35Å; N275-F277 PolarHBondContact O-N 2.78Å; F277-Q280 PolarHBondContact O-N 2.79Å; F277-F282 HydrophobicContact CD1-CB 3.89Å; F277-F282 HydrophobicContact CD2-CB 4.04Å; F277-F282 AromaticContact CD2-CD2 3.82Å; F277-F282 HydrophobicContact CD2-CD2 3.82Å; F277-F282 HydrophobicContact CD2-CG 4.43Å; F277-F282 HydrophobicContact CE1-CB 3.53Å; F277-F282 WeakPolarHBondContact CE1-O 3.34Å; F277-F282 HydrophobicContact CE2-CB 3.69Å; F277-F282 HydrophobicContact CE2-CD2 4.02Å; F277-F282 HydrophobicContact CE2-CG 4.29Å; F277-F282 HydrophobicContact CG-CB 4.14Å; F277-F282 HydrophobicContact CG-CD2 4.24Å; F277-F282 HydrophobicContact CZ-CB 3.43Å; F277-F282 VanDerWaalsContact CZ-CB 3.43Å; F277-F282 HydrophobicContact CZ-CG 4.47Å; F277-F282 PolarHBondContact O-N 3.27Å; F277-S283 WeakPolarHBondContact CZ-O 3.29Å; F277-Y284 HydrophobicContact CD1-CD2 4.46Å; F277-Y284 AromaticContact CE1-CD2 3.94Å; F277-Y284 HydrophobicContact CE1-CD2 3.94Å; F277-Y284 HydrophobicContact CE1-CG 4.46Å; F277-Y284 HydrophobicContact CZ-CD2 4.03Å
278H97.8Very high97.3Very high119 Ų11958.7 Ų58.755%0.55129%0.285SS*.Hα-helixtrans-66.8-42.1177.5-7080.6000112R274 N275 L276 Q280 G281R274-H278 PolarHBondContact O-N 3.08Å; R274-H278 PolarHBondContact O-ND1 2.92Å; N275-H278 PolarHBondContact O-N 2.74Å; L276-H278 VanDerWaalsContact C-N 3.33Å; L276-H278 PolarHBondContact O-N 3Å; H278-Q280 VanDerWaalsContact C-N 3.26Å; H278-Q280 PolarHBondContact O-N 3.48Å; H278-G281 PolarHBondContact O-N 3.46Å
279R98.1Very high97.2Very high159 Ų15956.3 Ų56.360%0.628%0.278SS*.Hα-helixtrans-64.9-28.4177.8-72-170.1-48.4-125.8-1.3113.5E247 N275 L276 G281E247-R279 IonicContact OE1-CZ 2.73Å; E247-R279 IonicContact OE1-NH2 3.72Å; E247-R279 PolarHBondContact OE1-NH2 3.48Å; E247-R279 IonicContact OE2-NH2 2.92Å; N275-R279 WeakPolarHBondContact O-CG 3.47Å; N275-R279 PolarHBondContact O-N 3.2Å; L276-R279 PolarHBondContact O-N 2.84Å; R279-G281 PolarHBondContact O-N 3.24Å
280Q97.8Very high97Very high99 Ų9956.3 Ų56.346%0.46328%0.278SS..THydrogen-bonded Turntrans-78.1-4173.4-66.5-66.3-30.200112.8L102 L276 F277 H278 F282L102-Q280 HydrophobicContact CD2-CG 4.17Å; L276-Q280 HydrophobicContact CD1-CG 3.98Å; L276-Q280 HydrophobicContact CG-CG 4.41Å; L276-Q280 VanDerWaalsContact O-CG 3.3Å; L276-Q280 WeakPolarHBondContact O-CG 3.42Å; L276-Q280 PolarHBondContact O-N 2.96Å; F277-Q280 PolarHBondContact O-N 2.79Å; H278-Q280 VanDerWaalsContact C-N 3.26Å; H278-Q280 PolarHBondContact O-N 3.48Å; Q280-F282 VanDerWaalsContact C-N 3.28Å; Q280-F282 HydrophobicContact CB-CD1 4.27Å; Q280-F282 HydrophobicContact CB-CD2 3.68Å; Q280-F282 HydrophobicContact CB-CE1 4.04Å; Q280-F282 HydrophobicContact CB-CE2 3.42Å; Q280-F282 VanDerWaalsContact CB-CE2 3.42Å; Q280-F282 HydrophobicContact CB-CG 4.09Å; Q280-F282 HydrophobicContact CB-CZ 3.62Å; Q280-F282 HydrophobicContact CG-CD2 4.49Å; Q280-F282 HydrophobicContact CG-CE2 3.89Å; Q280-F282 HydrophobicContact CG-CZ 4.16Å; Q280-F282 PolarHBondContact O-N 2.88Å
281G97.6Very high96.6Very high63 Ų6356 Ų5665%0.64928%0.279SS*.THydrogen-bonded Turntrans69.423.6179.900000113.8H278 R279H278-G281 PolarHBondContact O-N 3.46Å; R279-G281 PolarHBondContact O-N 3.24Å
282F97.7Very high96.1Very high62 Ų6259.2 Ų59.227%0.27230%0.295SS..  trans-76.2142.1178.6-60.9-36.6000111.6L102 K103 L106 F277 Q280L102-F282 HydrophobicContact CB-CE2 4.37Å; L102-F282 HydrophobicContact CB-CZ 4.41Å; L102-F282 HydrophobicContact CD2-CE2 4.25Å; L102-F282 HydrophobicContact CD2-CZ 4.46Å; L102-F282 HydrophobicContact CG-CE2 4.15Å; K103-F282 HydrophobicContact CB-CD1 4.27Å; K103-F282 HydrophobicContact CB-CD2 3.97Å; K103-F282 HydrophobicContact CB-CE1 4.34Å; K103-F282 HydrophobicContact CB-CE2 4.04Å; K103-F282 HydrophobicContact CB-CG 4.1Å; K103-F282 HydrophobicContact CB-CZ 4.23Å; K103-F282 HydrophobicContact CD-CB 4.48Å; K103-F282 HydrophobicContact CG-CB 4.24Å; K103-F282 HydrophobicContact CG-CD1 4.49Å; K103-F282 HydrophobicContact CG-CD2 4.25Å; K103-F282 HydrophobicContact CG-CG 4.09Å; L106-F282 HydrophobicContact CD1-CD2 4.42Å; L106-F282 HydrophobicContact CD1-CE2 4.25Å; F277-F282 HydrophobicContact CD1-CB 3.89Å; F277-F282 HydrophobicContact CD2-CB 4.04Å; F277-F282 AromaticContact CD2-CD2 3.82Å; F277-F282 HydrophobicContact CD2-CD2 3.82Å; F277-F282 HydrophobicContact CD2-CG 4.43Å; F277-F282 HydrophobicContact CE1-CB 3.53Å; F277-F282 WeakPolarHBondContact CE1-O 3.34Å; F277-F282 HydrophobicContact CE2-CB 3.69Å; F277-F282 HydrophobicContact CE2-CD2 4.02Å; F277-F282 HydrophobicContact CE2-CG 4.29Å; F277-F282 HydrophobicContact CG-CB 4.14Å; F277-F282 HydrophobicContact CG-CD2 4.24Å; F277-F282 HydrophobicContact CZ-CB 3.43Å; F277-F282 VanDerWaalsContact CZ-CB 3.43Å; F277-F282 HydrophobicContact CZ-CG 4.47Å; F277-F282 PolarHBondContact O-N 3.27Å; Q280-F282 VanDerWaalsContact C-N 3.28Å; Q280-F282 HydrophobicContact CB-CD1 4.27Å; Q280-F282 HydrophobicContact CB-CD2 3.68Å; Q280-F282 HydrophobicContact CB-CE1 4.04Å; Q280-F282 HydrophobicContact CB-CE2 3.42Å; Q280-F282 VanDerWaalsContact CB-CE2 3.42Å; Q280-F282 HydrophobicContact CB-CG 4.09Å; Q280-F282 HydrophobicContact CB-CZ 3.62Å; Q280-F282 HydrophobicContact CG-CD2 4.49Å; Q280-F282 HydrophobicContact CG-CE2 3.89Å; Q280-F282 HydrophobicContact CG-CZ 4.16Å; Q280-F282 PolarHBondContact O-N 2.88Å
283S96Very high95.3Very high77 Ų7761.6 Ų61.654%0.53831%0.307SS..  trans-82.2132170.3-57.80000110.8K103 F277 D285K103-S283 VanDerWaalsContact CE-O 3.27Å; K103-S283 WeakPolarHBondContact CE-O 3.19Å; F277-S283 WeakPolarHBondContact CZ-O 3.29Å; S283-D285 PolarHBondContact O-N 2.82Å
284Y93.5Very high93.4Very high99 Ų9970.3 Ų70.339%0.38835%0.345SS..  trans-82.967.3175.4-159.3-90000110.5L107 F277 Y286L107-Y284 HydrophobicContact CD2-CD2 3.54Å; L107-Y284 HydrophobicContact CD2-CE2 3.41Å; L107-Y284 VanDerWaalsContact CD2-CE2 3.41Å; L107-Y284 HydrophobicContact CD2-CG 4.26Å; F277-Y284 HydrophobicContact CD1-CD2 4.46Å; F277-Y284 AromaticContact CE1-CD2 3.94Å; F277-Y284 HydrophobicContact CE1-CD2 3.94Å; F277-Y284 HydrophobicContact CE1-CG 4.46Å; F277-Y284 HydrophobicContact CZ-CD2 4.03Å; Y284-Y286 HydrophobicContact CD1-CE1 4.41Å; Y284-Y286 HydrophobicContact CD1-CE2 4.34Å; Y284-Y286 HydrophobicContact CE1-CD1 4.35Å; Y284-Y286 AromaticContact CE1-CE1 3.58Å; Y284-Y286 HydrophobicContact CE1-CE1 3.58Å; Y284-Y286 HydrophobicContact CE1-CE2 4.16Å; Y284-Y286 AromaticContact CE1-CZ 3.47Å; Y284-Y286 VanDerWaalsContact CE1-CZ 3.47Å; Y284-Y286 WeakPolarHBondContact CE1-OH 3.24Å
285D94Very high91.1Very high65 Ų6571.5 Ų71.535%0.34835%0.353SS..SBendtrans-103.72-171.156.711.5000113.6K103 S283 V287K103-D285 VanDerWaalsContact CE-OD1 3.27Å; K103-D285 WeakPolarHBondContact CE-OD1 3.37Å; K103-D285 IonicContact NZ-OD1 2.94Å; K103-D285 PolarHBondContact NZ-OD1 3.42Å; K103-D285 IonicContact NZ-OD2 3.04Å; K103-D285 PolarHBondContact NZ-OD2 3.5Å; S283-D285 PolarHBondContact O-N 2.82Å; D285-V287 HydrophobicContact CB-CG2 4.05Å; D285-V287 VanDerWaalsContact CG-CG2 3.49Å; D285-V287 PolarHBondContact O-N 3.37Å; D285-V287 WeakPolarHBondContact OD1-CB 3.4Å; D285-V287 PolarHBondContact OD1-N 2.87Å
286Y94.2Very high88.3Confident88 Ų8871.7 Ų71.735%0.34537%0.372SS..  trans56.422.8-172-55-80.3000114.7N143 Y284 F288N143-Y286 HydrophobicContact CB-CD1 4.04Å; N143-Y286 HydrophobicContact CB-CG 3.96Å; Y284-Y286 HydrophobicContact CD1-CE1 4.41Å; Y284-Y286 HydrophobicContact CD1-CE2 4.34Å; Y284-Y286 HydrophobicContact CE1-CD1 4.35Å; Y284-Y286 AromaticContact CE1-CE1 3.58Å; Y284-Y286 HydrophobicContact CE1-CE1 3.58Å; Y284-Y286 HydrophobicContact CE1-CE2 4.16Å; Y284-Y286 AromaticContact CE1-CZ 3.47Å; Y284-Y286 VanDerWaalsContact CE1-CZ 3.47Å; Y284-Y286 WeakPolarHBondContact CE1-OH 3.24Å; Y286-F288 WeakPolarHBondContact O-CD2 3.23Å; Y286-F288 WeakPolarHBondContact O-CE2 3.43Å; Y286-F288 PolarHBondContact O-N 2.92Å
287V94.6Very high85.2Confident36 Ų3675.9 Ų75.922%0.21841%0.408CS..  trans-88.8103.6173.7-178.90000108.7D285 N291 M292D285-V287 HydrophobicContact CB-CG2 4.05Å; D285-V287 VanDerWaalsContact CG-CG2 3.49Å; D285-V287 PolarHBondContact O-N 3.37Å; D285-V287 WeakPolarHBondContact OD1-CB 3.4Å; D285-V287 PolarHBondContact OD1-N 2.87Å; V287-N291 HydrophobicContact CG1-CB 4.12Å; V287-M292 HydrophobicContact CG1-CG 3.87Å; V287-M292 HydrophobicContact CG1-SD 3.58Å; V287-M292 VanDerWaalsContact CG1-SD 3.58Å
288F96.2Very high82.1Confident1 Ų180 Ų800%0.00444%0.443CS..  trans-88.7166.6173.5-55.1-88000110.9T104 L107 L108 M136 N143 Y286 W290 N291T104-F288 HydrophobicContact CG2-CB 4.48Å; T104-F288 HydrophobicContact CG2-CD1 4.16Å; L107-F288 HydrophobicContact CB-CD1 4.17Å; L107-F288 HydrophobicContact CB-CE1 3.58Å; L107-F288 HydrophobicContact CB-CZ 4.32Å; L107-F288 HydrophobicContact CD1-CD1 4.11Å; L107-F288 HydrophobicContact CD1-CE1 4.08Å; L107-F288 HydrophobicContact CG-CE1 4.48Å; L108-F288 HydrophobicContact CD2-CE1 3.98Å; L108-F288 HydrophobicContact CG-CD1 4.44Å; L108-F288 HydrophobicContact CG-CE1 4.13Å; M136-F288 HydrophobicContact CE-CE2 3.9Å; M136-F288 HydrophobicContact CE-CZ 4.12Å; N143-F288 HydrophobicContact CB-CE2 4.46Å; Y286-F288 WeakPolarHBondContact O-CD2 3.23Å; Y286-F288 WeakPolarHBondContact O-CE2 3.43Å; Y286-F288 PolarHBondContact O-N 2.92Å; F288-W290 VanDerWaalsContact C-N 3.27Å; F288-W290 HydrophobicContact CB-CD2 3.64Å; F288-W290 HydrophobicContact CB-CE3 3.91Å; F288-W290 HydrophobicContact CB-CG 4.35Å; F288-W290 HydrophobicContact CB-CH2 3.59Å; F288-W290 HydrophobicContact CB-CZ2 3.29Å; F288-W290 HydrophobicContact CB-CZ3 3.88Å; F288-W290 AromaticContact CD1-CH2 3.52Å; F288-W290 HydrophobicContact CD1-CH2 3.52Å; F288-W290 AromaticContact CD1-CZ2 3.6Å; F288-W290 HydrophobicContact CD1-CZ2 3.6Å; F288-W290 HydrophobicContact CD1-CZ3 4.36Å; F288-W290 AromaticContact CD2-CE2 3.92Å; F288-W290 HydrophobicContact CD2-CH2 4.3Å; F288-W290 AromaticContact CD2-CZ2 3.51Å; F288-W290 HydrophobicContact CD2-CZ2 3.51Å; F288-W290 HydrophobicContact CE1-CH2 4.22Å; F288-W290 HydrophobicContact CE1-CZ2 4.23Å; F288-W290 HydrophobicContact CE2-CZ2 4.18Å; F288-W290 HydrophobicContact CG-CD2 4.46Å; F288-W290 AromaticContact CG-CE2 3.68Å; F288-W290 AromaticContact CG-CH2 3.55Å; F288-W290 HydrophobicContact CG-CH2 3.55Å; F288-W290 AromaticContact CG-CZ2 3.17Å; F288-W290 HydrophobicContact CG-CZ2 3.17Å; F288-W290 HydrophobicContact CG-CZ3 4.33Å; F288-W290 HydrophobicContact CZ-CZ2 4.49Å; F288-W290 PolarHBondContact O-N 3.29Å; F288-N291 WeakPolarHBondContact CB-OD1 3.28Å; F288-N291 WeakPolarHBondContact CD2-OD1 3.49Å; F288-N291 PolarHBondContact N-OD1 2.75Å; F288-N291 WeakPolarHBondContact O-CB 3.12Å; F288-N291 PolarHBondContact O-N 2.6Å; F288-N291 PolarHBondContact O-OD1 3.35Å
289D96.8Very high79.6Confident36 Ų3682 Ų8219%0.19345%0.446CS..Hα-helixtrans-57.1-39.1-176.7-60.8-42.5000113.1F100 S101 T104 N291 M292 L293F100-D289 WeakPolarHBondContact CA-OD2 3.33Å; S101-D289 WeakPolarHBondContact CB-OD1 3.46Å; S101-D289 PolarHBondContact N-OD2 3.02Å; S101-D289 PolarHBondContact OG-OD1 3.04Å; S101-D289 PolarHBondContact OG-OD2 3.35Å; T104-D289 WeakPolarHBondContact CB-OD2 3.31Å; T104-D289 PolarHBondContact OG1-N 2.85Å; T104-D289 PolarHBondContact OG1-OD1 2.63Å; T104-D289 PolarHBondContact OG1-OD2 3.29Å; D289-N291 PolarHBondContact O-N 2.83Å; D289-M292 PolarHBondContact O-N 3.24Å; D289-M292 VanDerWaalsContact O-N 3.08Å; D289-L293 PolarHBondContact O-N 3.28Å
290W94.8Very high77.2Confident1 Ų178.6 Ų78.60%0.00444%0.439CS..Hα-helixtrans-65.1-25.8178.154.583.4000112.8L89 L92 F95 F100 T104 L108 M136 F288 M292 L293 W460 M461L89-W290 HydrophobicContact CD2-CH2 4.37Å; L92-W290 HydrophobicContact CB-CD2 4.35Å; L92-W290 HydrophobicContact CB-CE3 3.92Å; L92-W290 HydrophobicContact CB-CZ3 4.21Å; L92-W290 HydrophobicContact CD1-CD2 3.93Å; L92-W290 HydrophobicContact CD1-CE3 4.07Å; L92-W290 HydrophobicContact CD1-CH2 4.01Å; L92-W290 HydrophobicContact CD1-CZ2 3.85Å; L92-W290 HydrophobicContact CD1-CZ3 4.12Å; L92-W290 HydrophobicContact CD2-CB 4.03Å; L92-W290 HydrophobicContact CD2-CD2 3.92Å; L92-W290 HydrophobicContact CD2-CE3 4.33Å; L92-W290 HydrophobicContact CD2-CG 3.79Å; L92-W290 HydrophobicContact CG-CD2 4.3Å; L92-W290 HydrophobicContact CG-CE3 4.34Å; F95-W290 HydrophobicContact CD1-CB 4.17Å; F95-W290 HydrophobicContact CE1-CB 4.42Å; F100-W290 AromaticContact CE1-CE3 3.86Å; F100-W290 HydrophobicContact CE1-CE3 3.86Å; F100-W290 AromaticContact CE1-CZ3 3.79Å; F100-W290 HydrophobicContact CE1-CZ3 3.79Å; F100-W290 HydrophobicContact CE2-CZ3 4.37Å; F100-W290 HydrophobicContact CZ-CE3 4.15Å; F100-W290 AromaticContact CZ-CZ3 3.71Å; F100-W290 HydrophobicContact CZ-CZ3 3.71Å; T104-W290 HydrophobicContact CG2-CH2 4.19Å; T104-W290 HydrophobicContact CG2-CZ3 3.72Å; L108-W290 HydrophobicContact CD1-CH2 4.26Å; L108-W290 HydrophobicContact CD2-CH2 4.16Å; L108-W290 HydrophobicContact CG-CH2 4.48Å; M136-W290 HydrophobicContact CE-CZ2 4.06Å; M136-W290 HydrophobicContact CG-CZ2 4.11Å; M136-W290 HydrophobicContact SD-CH2 4.47Å; M136-W290 HydrophobicContact SD-CZ2 3.98Å; F288-W290 VanDerWaalsContact C-N 3.27Å; F288-W290 HydrophobicContact CB-CD2 3.64Å; F288-W290 HydrophobicContact CB-CE3 3.91Å; F288-W290 HydrophobicContact CB-CG 4.35Å; F288-W290 HydrophobicContact CB-CH2 3.59Å; F288-W290 HydrophobicContact CB-CZ2 3.29Å; F288-W290 HydrophobicContact CB-CZ3 3.88Å; F288-W290 AromaticContact CD1-CH2 3.52Å; F288-W290 HydrophobicContact CD1-CH2 3.52Å; F288-W290 AromaticContact CD1-CZ2 3.6Å; F288-W290 HydrophobicContact CD1-CZ2 3.6Å; F288-W290 HydrophobicContact CD1-CZ3 4.36Å; F288-W290 AromaticContact CD2-CE2 3.92Å; F288-W290 HydrophobicContact CD2-CH2 4.3Å; F288-W290 AromaticContact CD2-CZ2 3.51Å; F288-W290 HydrophobicContact CD2-CZ2 3.51Å; F288-W290 HydrophobicContact CE1-CH2 4.22Å; F288-W290 HydrophobicContact CE1-CZ2 4.23Å; F288-W290 HydrophobicContact CE2-CZ2 4.18Å; F288-W290 HydrophobicContact CG-CD2 4.46Å; F288-W290 AromaticContact CG-CE2 3.68Å; F288-W290 AromaticContact CG-CH2 3.55Å; F288-W290 HydrophobicContact CG-CH2 3.55Å; F288-W290 AromaticContact CG-CZ2 3.17Å; F288-W290 HydrophobicContact CG-CZ2 3.17Å; F288-W290 HydrophobicContact CG-CZ3 4.33Å; F288-W290 HydrophobicContact CZ-CZ2 4.49Å; F288-W290 PolarHBondContact O-N 3.29Å; W290-M292 PolarHBondContact O-N 3.37Å; W290-L293 PolarHBondContact O-N 2.72Å; W290-W460 AromaticContact CD1-CH2 3.87Å; W290-W460 AromaticContact CD1-CZ3 3.71Å; W290-W460 HydrophobicContact CG-CZ3 4.5Å; W290-W460 AromaticContact NE1-CH2 3.64Å; W290-W460 AromaticContact NE1-CZ3 3.97Å; W290-M461 HydrophobicContact CB-SD 3.95Å
291N91.5Very high75Confident21 Ų2178.4 Ų78.411%0.11245%0.447CS..Hα-helixtrans-69-24.4175.2-57.5117.8000112.6V287 F288 D289 Q465V287-N291 HydrophobicContact CG1-CB 4.12Å; F288-N291 WeakPolarHBondContact CB-OD1 3.28Å; F288-N291 WeakPolarHBondContact CD2-OD1 3.49Å; F288-N291 PolarHBondContact N-OD1 2.75Å; F288-N291 WeakPolarHBondContact O-CB 3.12Å; F288-N291 PolarHBondContact O-N 2.6Å; F288-N291 PolarHBondContact O-OD1 3.35Å; D289-N291 PolarHBondContact O-N 2.83Å; N291-Q465 PolarHBondContact O-NE2 3.41Å
292M86.7Confident73.1Confident132 Ų13282.3 Ų82.365%0.6545%0.448SS*.Hα-helixtrans-90.3-13.2-177-62.3-59.2-67.700113.5V287 D289 W290 K294V287-M292 HydrophobicContact CG1-CG 3.87Å; V287-M292 HydrophobicContact CG1-SD 3.58Å; V287-M292 VanDerWaalsContact CG1-SD 3.58Å; D289-M292 PolarHBondContact O-N 3.24Å; D289-M292 VanDerWaalsContact O-N 3.08Å; W290-M292 PolarHBondContact O-N 3.37Å; M292-K294 VanDerWaalsContact C-N 3.33Å; M292-K294 PolarHBondContact O-N 3.33Å
293L81.5Confident71.3Confident73 Ų7383.7 Ų83.738%0.38246%0.458SS..  trans-71.990.7178.3-68.3175000109.1F95 D289 W290 F295F95-L293 HydrophobicContact CD1-CD1 3.57Å; F95-L293 HydrophobicContact CE1-CB 3.92Å; F95-L293 HydrophobicContact CE1-CD1 3.25Å; F95-L293 HydrophobicContact CE1-CG 4.19Å; F95-L293 HydrophobicContact CZ-CB 4.32Å; F95-L293 HydrophobicContact CZ-CD1 4.06Å; D289-L293 PolarHBondContact O-N 3.28Å; W290-L293 PolarHBondContact O-N 2.72Å; L293-F295 PolarHBondContact O-N 3.02Å
294K59.2Low69.7Low187 Ų18782.9 Ų82.981%0.81345%0.45SS*.  trans-70.9123.9172.5-70.1-173.2178.9-177.90109.7M292 G296M292-K294 VanDerWaalsContact C-N 3.33Å; M292-K294 PolarHBondContact O-N 3.33Å; K294-G296 PolarHBondContact O-N 3.22Å
295F50.1Low68.5Low100 Ų10081.4 Ų81.444%0.43945%0.449SS..THydrogen-bonded Turntrans-62.7112.9162-60.4-69.7000109F95 L293 E458 M461F95-F295 HydrophobicContact CZ-CE1 4.33Å; F95-F295 HydrophobicContact CZ-CZ 4.23Å; L293-F295 PolarHBondContact O-N 3.02Å; F295-E458 HydrophobicContact CD1-CG 4.3Å; F295-E458 HydrophobicContact CE1-CB 3.84Å; F295-E458 HydrophobicContact CE1-CG 3.22Å; F295-E458 VanDerWaalsContact CE1-OE1 3.26Å; F295-E458 WeakPolarHBondContact CE1-OE1 3.45Å; F295-E458 HydrophobicContact CE2-CB 4.23Å; F295-E458 HydrophobicContact CE2-CG 4.45Å; F295-E458 HydrophobicContact CZ-CB 3.48Å; F295-E458 VanDerWaalsContact CZ-CB 3.48Å; F295-E458 HydrophobicContact CZ-CG 3.3Å; F295-M461 HydrophobicContact CE1-CE 4.39Å; F295-M461 HydrophobicContact CE2-CE 3.85Å; F295-M461 HydrophobicContact CZ-CE 3.34Å
296G40.3Very low67.4Low77 Ų7785.4 Ų85.479%0.79446%0.459SS*.THydrogen-bonded Turntrans139.5-5.9170.200000118.2K294 A298K294-G296 PolarHBondContact O-N 3.22Å; G296-A298 PolarHBondContact O-N 3.47Å
297A32.2Very low65.9Low93 Ų9385.2 Ų85.277%0.76946%0.461SS*.SBendtrans-78.3103.716100000107R299A297-R299 PolarHBondContact O-N 2.89Å
298A34.2Very low64.7Low93 Ų9390.7 Ų90.777%0.76948%0.478SS*.  trans-42118.6173.200000108.7G296 N300G296-A298 PolarHBondContact O-N 3.47Å; A298-N300 PolarHBondContact O-N 2.99Å
299R44.4Very low63.5Low161 Ų16198 Ų9861%0.60851%0.505SS*.  trans-47.8121.5167.1-78.8-179.9163.4-170.7-6.1106A297 P301 V304A297-R299 PolarHBondContact O-N 2.89Å; R299-P301 WeakPolarHBondContact O-CD 3.45Å; R299-P301 VanDerWaalsContact O-N 3.11Å; R299-V304 HydrophobicContact CB-CG2 3.65Å; R299-V304 HydrophobicContact CG-CG2 4.36Å
300N48.6Very low62.3Low86 Ų86101 Ų10146%0.4652%0.518SS..  trans-55.4124.2178.6-156.813.2000105.9A298 E302 D303A298-N300 PolarHBondContact O-N 2.99Å; N300-E302 PolarHBondContact O-N 3.26Å; N300-D303 PolarHBondContact O-N 3.27Å
301P51.1Low60.9Low96 Ų96104 Ų10462%0.62353%0.532SS*.Hα-helixtrans-50.5-30.3-174.5-29.434.8000112.3R299 D303 V304 D305R299-P301 WeakPolarHBondContact O-CD 3.45Å; R299-P301 VanDerWaalsContact O-N 3.11Å; P301-D303 PolarHBondContact O-N 3.04Å; P301-V304 PolarHBondContact O-N 3.07Å; P301-D305 VanDerWaalsContact O-CB 3.31Å; P301-D305 WeakPolarHBondContact O-CB 3.18Å; P301-D305 PolarHBondContact O-N 2.87Å
302E57.8Low59.8Low144 Ų144107 Ų10767%0.67355%0.546SS*.Hα-helixtrans-62.5-36.1176-57.8-171.7149.600114.7N300 R306N300-E302 PolarHBondContact O-N 3.26Å; E302-R306 VanDerWaalsContact O-CB 3.26Å; E302-R306 WeakPolarHBondContact O-CB 3.41Å; E302-R306 PolarHBondContact O-N 3.32Å
303D60.6Low59Low92 Ų92109.7 Ų109.749%0.49255%0.549SS..Hα-helixtrans-74-37.3178.5-76.9-39000111.3N300 P301 R306 E307N300-D303 PolarHBondContact O-N 3.27Å; P301-D303 PolarHBondContact O-N 3.04Å; D303-R306 PolarHBondContact O-N 3.45Å; D303-E307 WeakPolarHBondContact O-CG 3.29Å; D303-E307 PolarHBondContact O-N 2.97Å
304V62.2Low58.2Low60 Ų60112.4 Ų112.436%0.36456%0.559SS.*Hα-helixtrans-67.3-41.4174.2-174.70000110.6R299 P301 R306 E307 R308R299-V304 HydrophobicContact CB-CG2 3.65Å; R299-V304 HydrophobicContact CG-CG2 4.36Å; P301-V304 PolarHBondContact O-N 3.07Å; V304-R306 VanDerWaalsContact C-N 3.33Å; V304-E307 PolarHBondContact O-N 3.31Å; V304-R308 VanDerWaalsContact O-CB 3.31Å; V304-R308 WeakPolarHBondContact O-CB 3.43Å; V304-R308 PolarHBondContact O-N 3.42Å
305D66.7Low58.2Low68 Ų68108.3 Ų108.336%0.36454%0.543SS..Hα-helixtrans-70.5-31.8179.4-14237.4000111.5P301 R309P301-D305 VanDerWaalsContact O-CB 3.31Å; P301-D305 WeakPolarHBondContact O-CB 3.18Å; P301-D305 PolarHBondContact O-N 2.87Å; D305-R309 WeakPolarHBondContact O-CB 3.47Å; D305-R309 WeakPolarHBondContact O-CG 3.23Å; D305-R309 PolarHBondContact O-N 3.15Å; D305-R309 IonicContact OD2-CZ 2.92Å; D305-R309 IonicContact OD2-NE 2.73Å; D305-R309 PolarHBondContact OD2-NE 3.14Å; D305-R309 IonicContact OD2-NH2 3.61Å; D305-R309 PolarHBondContact OD2-NH2 2.91Å
306R71Confident58.9Low149 Ų149112.7 Ų112.756%0.56256%0.557SS**Hα-helixtrans-69.8-46.1172.6-175.5178.1157.1-142.2-8.8112.5E302 D303 V304 R308 R309 E310E302-R306 VanDerWaalsContact O-CB 3.26Å; E302-R306 WeakPolarHBondContact O-CB 3.41Å; E302-R306 PolarHBondContact O-N 3.32Å; D303-R306 PolarHBondContact O-N 3.45Å; V304-R306 VanDerWaalsContact C-N 3.33Å; R306-R308 VanDerWaalsContact C-N 3.27Å; R306-R308 PolarHBondContact O-N 3.47Å; R306-R309 PolarHBondContact O-N 2.91Å; R306-E310 IonicContact CZ-OE1 3.47Å; R306-E310 IonicContact NE-OE1 2.76Å; R306-E310 PolarHBondContact NE-OE1 3.3Å; R306-E310 VanDerWaalsContact NE-OE1 3.13Å; R306-E310 IonicContact NH2-OE1 2.68Å; R306-E310 PolarHBondContact NH2-OE1 3.13Å; R306-E310 WeakPolarHBondContact O-CG 3.4Å; R306-E310 PolarHBondContact O-N 2.79Å
307E63.7Low59.8Low84 Ų84115.2 Ų115.239%0.39355%0.549SS..Hα-helixtrans-59.9-38.8173.7-74.1-173.2159.600111.1D303 V304 H311 R450D303-E307 WeakPolarHBondContact O-CG 3.29Å; D303-E307 PolarHBondContact O-N 2.97Å; V304-E307 PolarHBondContact O-N 3.31Å; E307-H311 WeakPolarHBondContact O-CB 3.31Å; E307-H311 PolarHBondContact O-N 3.47Å; E307-R450 IonicContact OE1-CZ 3.16Å; E307-R450 IonicContact OE1-NH1 2.79Å; E307-R450 PolarHBondContact OE1-NH1 3.35Å; E307-R450 IonicContact OE1-NH2 3.86Å; E307-R450 IonicContact OE2-NH1 3.17Å; E307-R450 PolarHBondContact OE2-NH1 3.32Å
308R69.4Low60.8Low151 Ų151113 Ų11357%0.5754%0.536SS*.Hα-helixtrans-65.5-44176.2-164.3174.4-170.8-78.7-9.1112.3V304 R306 H311 E312V304-R308 VanDerWaalsContact O-CB 3.31Å; V304-R308 WeakPolarHBondContact O-CB 3.43Å; V304-R308 PolarHBondContact O-N 3.42Å; R306-R308 VanDerWaalsContact C-N 3.27Å; R306-R308 PolarHBondContact O-N 3.47Å; R308-H311 PolarHBondContact O-N 3.26Å; R308-E312 IonicContact CZ-OE1 2.7Å; R308-E312 IonicContact NH1-OE1 3.86Å; R308-E312 PolarHBondContact NH1-OE1 3.04Å; R308-E312 IonicContact NH2-OE1 2.77Å; R308-E312 WeakPolarHBondContact O-CB 3.48Å; R308-E312 WeakPolarHBondContact O-CG 3.44Å; R308-E312 PolarHBondContact O-N 3.42Å
309R71.6Confident61.7Low153 Ų153115.1 Ų115.158%0.57753%0.53SS*.Hα-helixtrans-68.5-34.2177.4-72.4172.4-162.8-168.27.9113.1D305 R306 R313D305-R309 WeakPolarHBondContact O-CB 3.47Å; D305-R309 WeakPolarHBondContact O-CG 3.23Å; D305-R309 PolarHBondContact O-N 3.15Å; D305-R309 IonicContact OD2-CZ 2.92Å; D305-R309 IonicContact OD2-NE 2.73Å; D305-R309 PolarHBondContact OD2-NE 3.14Å; D305-R309 IonicContact OD2-NH2 3.61Å; D305-R309 PolarHBondContact OD2-NH2 2.91Å; R306-R309 PolarHBondContact O-N 2.91Å; R309-R313 WeakPolarHBondContact O-CG 3.31Å; R309-R313 PolarHBondContact O-N 2.95Å; R309-R313 VanDerWaalsContact O-N 3.15Å
310E69.7Low62Low99 Ų99113.9 Ų113.946%0.46354%0.535SS..Hα-helixtrans-68.2-43.2174.1-75.2176.6-171.300110.7R306 R313 E314R306-E310 IonicContact CZ-OE1 3.47Å; R306-E310 IonicContact NE-OE1 2.76Å; R306-E310 PolarHBondContact NE-OE1 3.3Å; R306-E310 VanDerWaalsContact NE-OE1 3.13Å; R306-E310 IonicContact NH2-OE1 2.68Å; R306-E310 PolarHBondContact NH2-OE1 3.13Å; R306-E310 WeakPolarHBondContact O-CG 3.4Å; R306-E310 PolarHBondContact O-N 2.79Å; E310-R313 PolarHBondContact O-N 3.04Å; E310-E314 PolarHBondContact O-N 2.68Å; E310-E314 VanDerWaalsContact O-N 3.08Å
311H65.4Low61.9Low65 Ų65119.9 Ų119.930%0.30155%0.551SS.*Hα-helixtrans-65.2-41.4175.7-155.4-82.2000112.8E307 R308 R313 E314 E315E307-H311 WeakPolarHBondContact O-CB 3.31Å; E307-H311 PolarHBondContact O-N 3.47Å; R308-H311 PolarHBondContact O-N 3.26Å; H311-R313 VanDerWaalsContact C-N 3.31Å; H311-R313 PolarHBondContact O-N 2.94Å; H311-E314 PolarHBondContact O-N 2.81Å; H311-E315 IonicContact CE1-OE1 2.79Å; H311-E315 IonicContact ND1-OE1 3.35Å; H311-E315 PolarHBondContact O-N 2.96Å
312E69.2Low61.4Low84 Ų84118.2 Ų118.239%0.39355%0.551SS.*Hα-helixtrans-64.9-31.7175.3-76176174.600112.6R308 R316R308-E312 IonicContact CZ-OE1 2.7Å; R308-E312 IonicContact NH1-OE1 3.86Å; R308-E312 PolarHBondContact NH1-OE1 3.04Å; R308-E312 IonicContact NH2-OE1 2.77Å; R308-E312 WeakPolarHBondContact O-CB 3.48Å; R308-E312 WeakPolarHBondContact O-CG 3.44Å; R308-E312 PolarHBondContact O-N 3.42Å; E312-R316 WeakPolarHBondContact O-CB 3.45Å; E312-R316 PolarHBondContact O-N 2.93Å; E312-R316 VanDerWaalsContact O-N 3.13Å
313R70.9Confident60.7Low189 Ų189116.4 Ų116.471%0.71355%0.554SS**Hα-helixtrans-71.2-40.6173.9-83.1-178.8175.3-163.3-0.2112.2R309 E310 H311 M317R309-R313 WeakPolarHBondContact O-CG 3.31Å; R309-R313 PolarHBondContact O-N 2.95Å; R309-R313 VanDerWaalsContact O-N 3.15Å; E310-R313 PolarHBondContact O-N 3.04Å; H311-R313 VanDerWaalsContact C-N 3.31Å; H311-R313 PolarHBondContact O-N 2.94Å; R313-M317 PolarHBondContact O-N 2.83Å
314E63.8Low59.6Low129 Ų129116.1 Ų116.160%0.60356%0.564SS**Hα-helixtrans-69.3-39.7177.6-72.6-175159.100112.1E310 H311 M317 G318E310-E314 PolarHBondContact O-N 2.68Å; E310-E314 VanDerWaalsContact O-N 3.08Å; H311-E314 PolarHBondContact O-N 2.81Å; E314-M317 PolarHBondContact O-N 2.89Å; E314-G318 PolarHBondContact O-N 3.18Å
315E60.3Low58.6Low102 Ų102119.6 Ų119.648%0.47759%0.586SS.*Hα-helixtrans-64.5-42.1173.7-78.8-173166.300112.4H311 M317 G318 Q319H311-E315 IonicContact CE1-OE1 2.79Å; H311-E315 IonicContact ND1-OE1 3.35Å; H311-E315 PolarHBondContact O-N 2.96Å; E315-M317 VanDerWaalsContact C-N 3.33Å; E315-M317 PolarHBondContact O-N 2.82Å; E315-G318 PolarHBondContact O-N 2.81Å; E315-Q319 WeakPolarHBondContact O-CB 3.47Å; E315-Q319 WeakPolarHBondContact O-CG 3.41Å; E315-Q319 PolarHBondContact O-N 2.82Å
316R62.9Low57.1Low192 Ų192127.7 Ų127.773%0.72561%0.611SS**Hα-helixtrans-62.3-38.8173.2-89.4-176.9171.1-121.90.7112.1E312 L320E312-R316 WeakPolarHBondContact O-CB 3.45Å; E312-R316 PolarHBondContact O-N 2.93Å; E312-R316 VanDerWaalsContact O-N 3.13Å; R316-L320 WeakPolarHBondContact O-CB 3.42Å; R316-L320 WeakPolarHBondContact O-CD1 3.21Å; R316-L320 WeakPolarHBondContact O-CG 3.21Å; R316-L320 PolarHBondContact O-N 3.35Å; R316-L320 VanDerWaalsContact O-N 3.16Å
317M60Low55.4Low129 Ų129125.1 Ų125.164%0.63562%0.622SS**Hα-helixtrans-70.3-31.5176-109.5-171.4-69.800113.2R313 E314 E315R313-M317 PolarHBondContact O-N 2.83Å; E314-M317 PolarHBondContact O-N 2.89Å; E315-M317 VanDerWaalsContact C-N 3.33Å; E315-M317 PolarHBondContact O-N 2.82Å
318G52.3Low54.4Low48 Ų48129.5 Ų129.550%0.49565%0.647SS.*Hα-helixtrans-72.3-41.1174.600000113.3E314 E315 R321 G322E314-G318 PolarHBondContact O-N 3.18Å; E315-G318 PolarHBondContact O-N 2.81Å; G318-R321 PolarHBondContact O-N 2.86Å; G318-G322 PolarHBondContact O-N 3.43Å
319Q53.3Low53.3Low136 Ų136127.7 Ų127.764%0.63666%0.655SS**Hα-helixtrans-72.3-33179.6-72.8172.71.500112.9E315 R321 G322E315-Q319 WeakPolarHBondContact O-CB 3.47Å; E315-Q319 WeakPolarHBondContact O-CG 3.41Å; E315-Q319 PolarHBondContact O-N 2.82Å; Q319-R321 VanDerWaalsContact C-N 3.26Å; Q319-R321 PolarHBondContact O-N 3.37Å; Q319-G322 PolarHBondContact O-N 3.03Å
320L51.3Low51.9Low136 Ų136126.7 Ų126.771%0.71267%0.668SS**Hα-helixtrans-68.9-21.1173.3-80.3159.2000113.4R316R316-L320 WeakPolarHBondContact O-CB 3.42Å; R316-L320 WeakPolarHBondContact O-CD1 3.21Å; R316-L320 WeakPolarHBondContact O-CG 3.21Å; R316-L320 PolarHBondContact O-N 3.35Å; R316-L320 VanDerWaalsContact O-N 3.16Å
321R46.7Very low50.5Low212 Ų212125.3 Ų125.380%0.868%0.681SS**Hα-helixtrans-88.4-18.6175.1-81.6-174.9166.3-175.5-0114.2G318 Q319G318-R321 PolarHBondContact O-N 2.86Å; Q319-R321 VanDerWaalsContact C-N 3.26Å; Q319-R321 PolarHBondContact O-N 3.37Å
322G41.6Very low49.7Very low61 Ų61128.3 Ų128.363%0.62971%0.706SS**Hα-helixtrans-90.7-10.4179.300000115.1G318 Q319G318-G322 PolarHBondContact O-N 3.43Å; Q319-G322 PolarHBondContact O-N 3.03Å
323S42.5Very low48.4Very low106 Ų106129.4 Ų129.474%0.74172%0.721SS**SBendtrans-113.210.6-172.4-158.10000115
324A38.1Very low47.1Very low85 Ų85127.2 Ų127.270%0.70273%0.729SS**  trans-102.617.9-177.600000114.8
325T39.3Very low45.9Very low133 Ų133124.4 Ų124.482%0.81673%0.734SS**  trans-108.869.1174.554.10000110.8
326R37.1Very low45Very low238 Ų238124 Ų12490%0.89875%0.749SS**SBendtrans-152.8109.4167.2-162.8167.1154.9-174.7-8.2111.8
327A34.7Very low44Very low95 Ų95121.2 Ų121.279%0.78575%0.753SS**  trans63.1102.7159.300000118.8
328L43.4Very low43.3Very low176 Ų176119 Ų11992%0.92176%0.755SS**  trans-116.8127.3156.7-82.2160.6000108.5
329P45.1Very low42.8Very low113 Ų113123.8 Ų123.873%0.73477%0.769SS**PPolyproline II helixtrans-82.8162.7174.933.8-30.7000111.4
330P42.2Very low42.1Very low132 Ų132127.4 Ų127.486%0.85778%0.777SS**PPolyproline II helixtrans-79.6138-166.832.4-32.6000112.1
331G40.1Very low41.5Very low71 Ų71127.7 Ų127.773%0.73278%0.778SS**PPolyproline II helixtrans-91.6160.2174.400000113.3
332P48.3Very low41.3Very low127 Ų127127.6 Ų127.683%0.82578%0.778SS**PPolyproline II helixtrans-100.8167.1167.237.5-28.6000112.6
333P42.8Very low41.1Very low107 Ų107130 Ų13070%0.69579%0.786SS**  trans-106.6161.5-153.739-31.8000116.3
334T43Very low40.8Very low144 Ų144129.5 Ų129.588%0.88379%0.788SS**  trans73.4134.2144.951.60000122.5
335G38.6Very low40.8Very low70 Ų70130.3 Ų130.372%0.72279%0.794SS**  trans142.388.2156.600000113.1
336A41Very low40.8Very low94 Ų94132.5 Ų132.578%0.77780%0.795SS**  54.5130.1114.200000115
337T42.5Very low41.2Very low133 Ų133126.1 Ų126.182%0.81679%0.785SS**  cis-176.2148.635.2-12.10000110.1
338A45.7Very low41.5Very low82 Ų82127.9 Ų127.968%0.67879%0.785SS**  trans67.6110.6136.500000123.8
339N40.6Very low41.3Very low149 Ų149123.6 Ų123.680%0.79778%0.775SS**  89.7137.9111.7-85.8-15.6000124.6
340R39.6Very low41.2Very low211 Ų211124 Ų12480%0.79678%0.781SS**  trans89.1111.1151.9-76.4173.1-172.5-1564.6117.7
341L39.6Very low40.9Very low142 Ų142124.3 Ų124.374%0.74378%0.78SS**  67.212682-76166.8000109.9
342R40.7Very low41.2Very low211 Ų211126.5 Ų126.580%0.79678%0.782SS**  cis-177.3155.836.8-113.4167.8-172.2-147.71.9109.3
343S37.8Very low40.8Very low112 Ų112124.6 Ų124.678%0.78378%0.776SS**  trans54.8150.9136.7-53.60000120.7
344A36.6Very low40.6Very low95 Ų95125 Ų12579%0.78578%0.782SS**  cis-179.1168.5-10.200000106.1
345A39.2Very low40.4Very low101 Ų101129.5 Ų129.584%0.83578%0.783SS**  trans103.7106.4157.800000119.5
346E37.8Very low40.3Very low180 Ų180133.1 Ų133.184%0.84178%0.784SS**  trans-76.8-173.2139.7-63.6-166.7145.100109
347P45.4Very low40.3Very low104 Ų104136.6 Ų136.668%0.67578%0.784SS**  cis-158.4-171.11945.7-21.4000120
348V41.5Very low40.2Very low132 Ų132138.9 Ų138.980%0.879%0.786SS**  trans84.7117.9138.8171.10000124.2
349A39.5Very low39.7Very low86 Ų86139.8 Ų139.871%0.71179%0.793SS**  trans61.2134.7133.200000125.8
350S42.1Very low39.6Very low122 Ų122136.5 Ų136.585%0.85379%0.794SS**  162.1137.997.747.90000114.4
351T37.8Very low39.4Very low137 Ų137133.9 Ų133.984%0.8480%0.796SS**  trans-100.2-172.7163.98.20000109
352P46Very low39.4Very low118 Ų118134.3 Ų134.377%0.76681%0.805SS**  cis-143.7-169.98.533.3-7.4000116.5
353A39.9Very low39.1Very low86 Ų86129.7 Ų129.771%0.71181%0.805SS**  trans126.8109.9131.800000120.3
354S37.1Very low39.4Very low116 Ų116129.8 Ų129.881%0.81180%0.803SS**  trans50.3129.2131.966.90000124.5
355R39.5Very low39.3Very low238 Ų238137.2 Ų137.290%0.89881%0.81SS**  trans-154.4135.1131.2-153.4170.1-157169.66.3113.2
356I35.9Very low39Very low147 Ų147136.8 Ų136.875%0.75481%0.807SS**  trans-98.6149177.7-71.6157.3000110.2
357Q41.7Very low38.9Very low166 Ų166136.3 Ų136.378%0.77681%0.808SS**  trans-170.5111.5145-101162.921.600108.2
358Q39.9Very low38.3Very low181 Ų181136.3 Ų136.385%0.84681%0.811SS**  53.9141.692.4-74.7-172.9-0.100114.4
359A36.6Very low37.9Very low102 Ų102142 Ų14284%0.84382%0.818SS**  cis-176.7156.4-12.700000105.4
360G36.6Very low37.3Very low79 Ų79141.8 Ų141.881%0.81482%0.817SS**  trans169.6103.4169.400000116.4
361N35.9Very low36.7Very low157 Ų157143.2 Ų143.284%0.8482%0.815SS**  trans-63.4156-179.6-79.5-26.8000115.8
362T39.8Very low36.4Very low150 Ų150148.4 Ų148.492%0.9282%0.819SS**  179.8146.3111.538.70000112.2
363S35.5Very low35.6Very low114 Ų114151.2 Ų151.280%0.79782%0.822SS**  trans-127-169.2-176.2-148.10000107.3
364P44.1Very low35Very low114 Ų114157.9 Ų157.974%0.7483%0.829SS**  cis-128.7175.1-4321.30.3000111.5
365R34.5Very low34.6Very low251 Ų251161.3 Ų161.395%0.94783%0.829SS**  trans-158.4130.1145.4-129.5173.1175.5-178.8-1.9114.2
366A31.7Very low34Very low93 Ų93157 Ų15777%0.76983%0.829SS**  trans-89.3145174.500000111.5
367I36Very low33.5Very low169 Ų169154.6 Ų154.687%0.86783%0.825SS**  trans-142.9125.7154.8-62.8-175.6000108.5
368S32Very low32.7Very low104 Ų104155.3 Ų155.373%0.72783%0.831SS**  trans-76.8149.9172.354.30000111.6
369R32.9Very low32.1Very low251 Ų251157.8 Ų157.895%0.94783%0.832SS**  trans-165.6133.4140.7-112.2170.5-178.8-172.1-0.4112.1
370A28.7Very low31.6Very low83 Ų83160.7 Ų160.769%0.68683%0.833SS**  trans-70.7174.8177.100000113
371D28.4Very low31.4Very low152 Ų152165.6 Ų165.681%0.81383%0.834SS**  trans74.598.9163.1-60.9-35.3000118.2
372R32.5Very low30.9Very low246 Ų246170.1 Ų170.193%0.92884%0.839SS**  -173103.8119.5-109.2172171.3173.8-1.7112.8
373E29.4Very low30.2Very low177 Ų177166.4 Ų166.483%0.82783%0.831SS**  trans-64.6155.9145.3-71.8-175.614600110.6
374R27.4Very low29.9Very low226 Ų226165.8 Ų165.885%0.85383%0.833SS**  trans105.8125160.6-65.2-178.5171.6-164.3-4.2117.5
375K27.3Very low29.3Very low187 Ų187166.4 Ų166.481%0.81384%0.837SS**  trans83.8101.2150.1-69.7169.7174.8-175.80117.7
376V26.8Very low29.2Very low148 Ų148159 Ų15990%0.89783%0.83SS**  trans-13282145.2-177.30000105.6
377S26.3Very low29.1Very low97 Ų97162.6 Ų162.668%0.67884%0.836SS**  5297.480.7-156.90000113.3R379S377-R379 PolarHBondContact O-N 3.35Å
378M24Very low28.9Very low181 Ų181161 Ų16189%0.89283%0.834SS**  trans-57.1125.7165.4-61.8-151.2-60.400109.9
379R28.4Very low28.8Very low232 Ų232161.9 Ų161.988%0.87584%0.84SS**  trans-122.9104.8160.5-104.1-179.3177164.6-1.1110S377 H381S377-R379 PolarHBondContact O-N 3.35Å; R379-H381 PolarHBondContact O-N 3.13Å
380L25.5Very low28.6Very low164 Ų164154.5 Ų154.586%0.85983%0.827SS**  trans-43.5127.1160-70.1147.1000110.5
381H31.7Very low29.1Very low182 Ų182156 Ų15684%0.84383%0.832SS**  trans-119.7110.4151.2-91.734.1000108.8R379R379-H381 PolarHBondContact O-N 3.13Å
382R25.5Very low29.3Very low251 Ų251155.2 Ų155.295%0.94783%0.828SS**  trans-59133.8160.5-87.5173.2160.9163-6.2108.5
383G26.6Very low29.4Very low73 Ų73151.7 Ų151.775%0.75383%0.826SS**  trans171.5118161.800000114.9
384A29.2Very low29.5Very low100 Ų100149.9 Ų149.983%0.82683%0.828SS**  trans90.8120.6161.600000118.9
385P29.8Very low29.9Very low128 Ų128142.5 Ų142.583%0.83182%0.822SS**PPolyproline II helixtrans-84.3141.1176.934.8-30.6000111
386A32.7Very low30.3Very low96 Ų96145.7 Ų145.779%0.79383%0.829SS**PPolyproline II helixtrans-84.2126.2168.400000109.9V388A386-V388 PolarHBondContact O-N 3.31Å
387N31Very low30.4Very low168 Ų168147.9 Ų147.990%0.89883%0.83SS**PPolyproline II helixtrans-52.1124.3174.1-84.7-23.4000112
388V30.3Very low30.9Very low135 Ų135152.1 Ų152.182%0.81884%0.839SS**PPolyproline II helixtrans-81125.3163.7176.40000107.5A386A386-V388 PolarHBondContact O-N 3.31Å
389S31Very low31.4Very low122 Ų122150.3 Ų150.385%0.85384%0.837SS**  trans-102.8101.4164.7-162.10000107.7
390S28.6Very low31.8Very low97 Ų97144.1 Ų144.168%0.67883%0.83SS**  trans-85.7131.816464.40000108.5
391S39.4Very low32.1Very low113 Ų113147.6 Ų147.679%0.7983%0.832SS**  trans-122133.5154.234.40000108.1
392D32.3Very low32.5Very low136 Ų136147.3 Ų147.373%0.72784%0.835SS**  trans-61.1161.3-167.9-59.6-66.1000114.4
393L35.3Very low32.9Very low172 Ų172139.7 Ų139.790%0.90183%0.825SS**  -173.6104.2114.7-92.1162.9000109.5
394T31.5Very low33.4Very low139 Ų139140.4 Ų140.485%0.85382%0.824SS**  trans-71.7136.5161.843.80000109.2
395G35Very low33.8Very low72 Ų72140.5 Ų140.574%0.74282%0.818SS**  trans-169.273.8-177.400000113.9
396R35.1Very low34.1Very low253 Ų253143.4 Ų143.496%0.95582%0.821SS**  trans52.6126.6148.3-73.6-177.7170.2171.4-3.3121.5
397Q30.3Very low34.3Very low194 Ų194143.7 Ų143.791%0.90782%0.823SS**  trans-68.5140.3161.2-68.1169.1-3800112.1
398E36.4Very low34.6Very low186 Ų186139.7 Ų139.787%0.86981%0.814SS**  trans-166.4101.4142.5-111.5176.2163.900107.9
399V34.3Very low35Very low143 Ų143140.3 Ų140.387%0.86781%0.813SS**  67.2125.6100-176.10000116.2
400S35.4Very low35.3Very low103 Ų103140.5 Ų140.572%0.7281%0.808SS**  trans122.988.2153.4-170.80000113.8
401R33.7Very low36.1Very low236 Ų236141 Ų14189%0.89181%0.81SS**  45.6118.193.7-76.3-172.1177.6163.40.9115.5
402I38.2Very low36Very low177 Ų177143 Ų14391%0.90881%0.811SS**  -163.6146129.8-88.3145.7000108.4
403A34.7Very low36.2Very low91 Ų91141.5 Ų141.575%0.75281%0.806SS**  trans-106.4-173.1-164.100000113.9
404A37Very low36.3Very low88 Ų88138.8 Ų138.873%0.72780%0.797SS**  trans93.9109.1158.300000115.8
405S37.7Very low36.5Very low101 Ų101140.3 Ų140.371%0.70680%0.799SS**  98.7109.271.571.20000111
406Q35.4Very low36.5Very low189 Ų189139.8 Ų139.888%0.88379%0.793SS**  92.9131.399-78.1-169.312.400115.5
407A38Very low36.7Very low102 Ų102136.9 Ų136.984%0.84379%0.79SS**  trans68.4153.2153.200000118.7
408A37.7Very low37.1Very low84 Ų84134 Ų13469%0.69479%0.786SS**  cis-175.4152-23.200000106.8
409N38Very low37.3Very low149 Ų149130.8 Ų130.880%0.79778%0.781SS**  trans56.4108.7150.8-67.1-6.8000123.1
410T37.1Very low37.5Very low125 Ų125128.1 Ų128.177%0.76778%0.775SS**  23.7164.3116.943.60000122.3
411P45.6Very low37.6Very low109 Ų109130 Ų13071%0.70878%0.782SS**  cis-143.9-168.4-4639-18.3000113.5
412L37.1Very low37.5Very low154 Ų154125 Ų12581%0.80678%0.781SS**  trans108.5136.9137.9-145.182.7000119.6
413V37.3Very low37.4Very low104 Ų104121.8 Ų121.863%0.6378%0.775SS**  trans109.697.7144.4-169.60000118.6
414T37.4Very low37.5Very low116 Ų116126.2 Ų126.271%0.71278%0.779SS**  trans48.2158.8131.567.50000121.6
415L34.1Very low37.5Very low170 Ų170131.3 Ų131.389%0.8979%0.788SS**  cis-173.8148.7-6.8-105.5159.2000103.4
416G36Very low37.3Very low61 Ų61138 Ų13863%0.62980%0.798SS**  trans163.989.216400000119
417H39.8Very low37.8Very low193 Ų193134.4 Ų134.489%0.89479%0.79SS**  trans65.8145.1139-60.8100.6000123.1
418T38.5Very low37.7Very low132 Ų132135.4 Ų135.481%0.8179%0.789SS**  trans-100.7-160.2-160.849.50000112.7
419P41.1Very low37.6Very low119 Ų119143.1 Ų143.177%0.77380%0.8SS**  -125171-101.937.6-17.7000114.2
420A38Very low37.5Very low88 Ų88141.2 Ų141.273%0.72780%0.804SS**  trans-177.1132.7150.300000115
421T37.7Very low37.3Very low143 Ų143138.2 Ų138.288%0.87780%0.799SS**  trans73.2126139.655.30000124.1
422C30.1Very low37Very low129 Ų129139 Ų13987%0.87280%0.804SS**  trans-35142.4167.7-72.10000119.5
423S37.1Very low36.9Very low111 Ų111136.2 Ų136.278%0.77680%0.795SS**  -170.8130.7122.752.60000112.5
424H36.1Very low36.8Very low183 Ų183135 Ų13585%0.84779%0.791SS**  trans15.4111.6158.1-66.6-66000120.5
425H38.1Very low36.5Very low196 Ų196138.5 Ų138.591%0.90780%0.799SS**  trans-151.5135.9137-98-33.6000112.4
426R33.9Very low36.6Very low242 Ų242134 Ų13491%0.91378%0.778SS**PPolyproline II helixtrans-78.6127.3-178-169.6-172.7-156.7-160.97.4109.3
427P44.1Very low36.3Very low112 Ų112136.7 Ų136.773%0.72779%0.785SS**PPolyproline II helixtrans-95.4152.816533.8-26.6000111.1
428P36.6Very low36Very low124 Ų124132.1 Ų132.181%0.80576%0.764SS**PPolyproline II helixtrans-86.3157.9-167.134.5-34.4000114.2
429R35.4Very low35.7Very low246 Ų246133.7 Ų133.793%0.92876%0.762SS**  trans13.1118.1161.1-78.2-179.8170.1-159.4-2.8118.7
430A35.4Very low35.1Very low108 Ų108135.3 Ų135.389%0.89376%0.764SS**PPolyproline II helixtrans-57.2128.5163.500000112.1
431G34.7Very low34.7Very low63 Ų63135.5 Ų135.565%0.64977%0.765SS**PPolyproline II helixtrans-69.7167.2167.100000112.4
432P38.6Very low34.3Very low125 Ų125132.3 Ų132.381%0.81275%0.748SS**PPolyproline II helixtrans-67.8154.7-173.130.6-33.7000111.5
433P35.8Very low34.4Very low95 Ų95129.6 Ų129.662%0.61774%0.742SS**PPolyproline II helixtrans-66.4137.5-174.227.6-33000111.3E435P433-E435 PolarHBondContact O-N 2.96Å
434S34.5Very low34.1Very low79 Ų79129 Ų12955%0.55274%0.738SS**  trans-57.6113.5172.552.30000110.7V436S434-V436 PolarHBondContact O-N 2.76Å
435E30.7Very low34.1Very low189 Ų189121.5 Ų121.588%0.88371%0.71SS**PPolyproline II helixtrans-69.1116.4175.3-70.2-179.1147.800110.6P433P433-E435 PolarHBondContact O-N 2.96Å
436V36Very low33.8Very low75 Ų75116.7 Ų116.746%0.45569%0.691SS.*PPolyproline II helixtrans-86.7118.9161.2-168.20000106.8K221 S434 E438K221-V436 PolarHBondContact NZ-O 3.4Å; S434-V436 PolarHBondContact O-N 2.76Å; V436-E438 PolarHBondContact O-N 3.44Å
437P29.8Very low33.7Very low118 Ų118108.2 Ų108.277%0.76667%0.673SS**PPolyproline II helixtrans-70.6125.9173.3-5.621.8000108.1
438E34.2Very low33.2Very low97 Ų97106.7 Ų106.745%0.45366%0.664SS.*  trans-136.2131.7167.8-132.9-173.9-169.800108.5K130 T176 V436K130-E438 IonicContact NZ-OE1 3.27Å; K130-E438 PolarHBondContact NZ-OE1 2.8Å; T176-E438 PolarHBondContact OG1-OE1 3.01Å; T176-E438 VanDerWaalsContact OG1-OE1 3.09Å; V436-E438 PolarHBondContact O-N 3.44Å
439E32.8Very low33.1Very low165 Ų165106.4 Ų106.477%0.77165%0.653SS**  trans-57.8142.5-167.3-115.5170.3130.600114.2S17 A441S17-E439 PolarHBondContact OG-OE2 3.19Å; E439-A441 PolarHBondContact O-N 2.89Å; E439-A441 VanDerWaalsContact O-N 3.12Å
440L27.4Very low33.2Very low154 Ų15498.1 Ų98.181%0.80662%0.621SS**  trans-65.4104.1167.7-81.1107.7000109.9S442L440-S442 PolarHBondContact O-N 2.92Å
441A28.8Very low33.6Very low91 Ų9199.8 Ų99.875%0.75261%0.61SS**  trans-72.278.415100000108.4E439E439-A441 PolarHBondContact O-N 2.89Å; E439-A441 VanDerWaalsContact O-N 3.12Å
442S30.5Very low34.2Very low76 Ų76101.5 Ų101.553%0.53161%0.608SS.*  trans-94.6115.4165.149.20000108.6L440 S444L440-S442 PolarHBondContact O-N 2.92Å; S442-S444 VanDerWaalsContact C-N 3.35Å; S442-S444 PolarHBondContact O-N 3.45Å
443G32.7Very low35.1Very low72 Ų7297 Ų9774%0.74258%0.577SS**SBendtrans-72.274.9-173.600000114.7
444S30.4Very low35.8Very low99 Ų9992.7 Ų92.769%0.69255%0.551SS**SBendtrans-13931.9170.365.50000113.4S442S442-S444 VanDerWaalsContact C-N 3.35Å; S442-S444 PolarHBondContact O-N 3.45Å
445G34.9Very low36.9Very low25 Ų2594.2 Ų94.226%0.25855%0.552SS.*  trans-144.314.4-175.200000116.6A447 S448 Q449G445-A447 VanDerWaalsContact C-N 3.31Å; G445-A447 PolarHBondContact O-N 3.38Å; G445-S448 PolarHBondContact O-N 3.38Å; G445-S448 PolarHBondContact O-OG 2.98Å; G445-Q449 WeakPolarHBondContact O-CB 3.24Å; G445-Q449 PolarHBondContact O-N 2.94Å; G445-Q449 VanDerWaalsContact O-N 3.13Å
446L32.5Very low38.7Very low95 Ų9588.7 Ų88.750%0.49753%0.526SS..Hα-helixtrans-63.2-31.9-170.6-77.4160.7000113.7R450L446-R450 WeakPolarHBondContact O-CB 3.37Å; L446-R450 VanDerWaalsContact O-CG 3.28Å; L446-R450 WeakPolarHBondContact O-CG 3.44Å; L446-R450 PolarHBondContact O-N 3.43Å
447A31.4Very low40.3Very low65 Ų6585.1 Ų85.154%0.53750%0.504SS..Hα-helixtrans-72.9-44.5-178.400000113G445 R450 Q451G445-A447 VanDerWaalsContact C-N 3.31Å; G445-A447 PolarHBondContact O-N 3.38Å; A447-R450 PolarHBondContact O-N 3.37Å; A447-Q451 PolarHBondContact O-N 2.79Å
448S34.2Very low42Very low79 Ų7983.4 Ų83.455%0.55249%0.486SS*.Hα-helixtrans-72.2-36.9178.464.60000111.8G445 Q451 V452G445-S448 PolarHBondContact O-N 3.38Å; G445-S448 PolarHBondContact O-OG 2.98Å; S448-Q451 PolarHBondContact O-N 2.88Å; S448-V452 WeakPolarHBondContact O-CG2 3.29Å; S448-V452 PolarHBondContact O-N 2.93Å; S448-V452 VanDerWaalsContact O-N 3.13Å
449Q35.3Very low43.7Very low119 Ų11981.3 Ų81.356%0.55648%0.481SS*.Hα-helixtrans-63-41.3172.6-83.2179-15.400111.8G445 Q451 V452 L453G445-Q449 WeakPolarHBondContact O-CB 3.24Å; G445-Q449 PolarHBondContact O-N 2.94Å; G445-Q449 VanDerWaalsContact O-N 3.13Å; Q449-Q451 VanDerWaalsContact C-N 3.31Å; Q449-Q451 PolarHBondContact O-N 3.37Å; Q449-V452 PolarHBondContact O-N 2.84Å; Q449-L453 VanDerWaalsContact O-CB 3.23Å; Q449-L453 WeakPolarHBondContact O-CB 3.25Å; Q449-L453 WeakPolarHBondContact O-CD1 3.47Å; Q449-L453 WeakPolarHBondContact O-CG 3.4Å; Q449-L453 PolarHBondContact O-N 3.24Å
450R36.6Very low45.7Very low72 Ų7274 Ų7427%0.27245%0.446SS..Hα-helixtrans-60.1-38.5176.5-86.3178.6172.9-172.5-0.6113E307 L446 A447 G454E307-R450 IonicContact OE1-CZ 3.16Å; E307-R450 IonicContact OE1-NH1 2.79Å; E307-R450 PolarHBondContact OE1-NH1 3.35Å; E307-R450 IonicContact OE1-NH2 3.86Å; E307-R450 IonicContact OE2-NH1 3.17Å; E307-R450 PolarHBondContact OE2-NH1 3.32Å; L446-R450 WeakPolarHBondContact O-CB 3.37Å; L446-R450 VanDerWaalsContact O-CG 3.28Å; L446-R450 WeakPolarHBondContact O-CG 3.44Å; L446-R450 PolarHBondContact O-N 3.43Å; A447-R450 PolarHBondContact O-N 3.37Å; R450-G454 PolarHBondContact O-N 2.85Å
451Q43.6Very low47.7Very low142 Ų14267.1 Ų67.166%0.66441%0.41SS*.Hα-helixtrans-70.2-44.4178.3-168162.37.100111.8A447 S448 Q449 L453 G454 D455A447-Q451 PolarHBondContact O-N 2.79Å; S448-Q451 PolarHBondContact O-N 2.88Å; Q449-Q451 VanDerWaalsContact C-N 3.31Å; Q449-Q451 PolarHBondContact O-N 3.37Å; Q451-L453 VanDerWaalsContact C-N 3.33Å; Q451-L453 PolarHBondContact O-N 3.13Å; Q451-G454 PolarHBondContact O-N 3.14Å; Q451-D455 PolarHBondContact O-N 3.38Å
452V47.4Very low49.3Very low100 Ų10067.9 Ų67.961%0.60641%0.405SS*.Hα-helixtrans-64.5-37.7175.81760000111.8S448 Q449 D455 F456S448-V452 WeakPolarHBondContact O-CG2 3.29Å; S448-V452 PolarHBondContact O-N 2.93Å; S448-V452 VanDerWaalsContact O-N 3.13Å; Q449-V452 PolarHBondContact O-N 2.84Å; V452-D455 PolarHBondContact O-N 3.16Å; V452-F456 PolarHBondContact O-N 2.93Å
453L56.6Low50.8Low29 Ų2972.7 Ų72.715%0.15241%0.411CS..Hα-helixtrans-64.9-41.7173.7-74.9166.7000111D91 N94 Q449 Q451 F456 I457D91-L453 HydrophobicContact CB-CD2 3.73Å; D91-L453 VanDerWaalsContact OD1-CD2 3.25Å; D91-L453 WeakPolarHBondContact OD1-CD2 3.19Å; N94-L453 HydrophobicContact CB-CD1 4.08Å; Q449-L453 VanDerWaalsContact O-CB 3.23Å; Q449-L453 WeakPolarHBondContact O-CB 3.25Å; Q449-L453 WeakPolarHBondContact O-CD1 3.47Å; Q449-L453 WeakPolarHBondContact O-CG 3.4Å; Q449-L453 PolarHBondContact O-N 3.24Å; Q451-L453 VanDerWaalsContact C-N 3.33Å; Q451-L453 PolarHBondContact O-N 3.13Å; L453-F456 PolarHBondContact O-N 2.89Å; L453-I457 HydrophobicContact CB-CD1 4.13Å; L453-I457 HydrophobicContact CD2-CD1 4.23Å; L453-I457 VanDerWaalsContact O-CB 3.31Å; L453-I457 WeakPolarHBondContact O-CB 3.46Å; L453-I457 WeakPolarHBondContact O-CG1 3.29Å; L453-I457 PolarHBondContact O-N 3.36Å
454G51.7Low52.3Low6 Ų671 Ų716%0.06238%0.384CS..Hα-helixtrans-54.6-52.6171.300000111.3R450 Q451 F456 I457 E458R450-G454 PolarHBondContact O-N 2.85Å; Q451-G454 PolarHBondContact O-N 3.14Å; G454-F456 PolarHBondContact O-N 3.35Å; G454-I457 PolarHBondContact O-N 2.79Å; G454-E458 VanDerWaalsContact O-CB 3.24Å; G454-E458 WeakPolarHBondContact O-CB 3.45Å; G454-E458 WeakPolarHBondContact O-CG 3.07Å; G454-E458 PolarHBondContact O-N 3.06Å
455D57.2Low53.4Low111 Ų11172.3 Ų72.359%0.59438%0.38SS*.Hα-helixtrans-57.9-21.6-178.5-68.4-20000114.4Q451 V452 P459Q451-D455 PolarHBondContact O-N 3.38Å; V452-D455 PolarHBondContact O-N 3.16Å; D455-P459 WeakPolarHBondContact O-CD 3.45Å; D455-P459 WeakPolarHBondContact O-CG 3.41Å
456F68Low54Low73 Ų7374.6 Ų74.632%0.3239%0.39SS..Hα-helixtrans-99-45.3176.2-172.9-105.5000113.6P87 V452 L453 G454 W460P87-F456 HydrophobicContact CB-CD1 4.45Å; P87-F456 HydrophobicContact CB-CE1 4.34Å; V452-F456 PolarHBondContact O-N 2.93Å; L453-F456 PolarHBondContact O-N 2.89Å; G454-F456 PolarHBondContact O-N 3.35Å; F456-W460 WeakPolarHBondContact O-CB 3.41Å; F456-W460 PolarHBondContact O-N 3.35Å
457I70.2Confident54.5Low0 Ų074.8 Ų74.80%040%0.399CS..Hα-helixtrans-75.4-37.3-175.8-59171.7000110.5P87 D91 L92 F95 L453 G454 W460 M461P87-I457 HydrophobicContact CB-CD1 4.47Å; P87-I457 HydrophobicContact CB-CG1 3.97Å; P87-I457 HydrophobicContact CG-CG1 4.25Å; D91-I457 HydrophobicContact CB-CD1 4.12Å; L92-I457 HydrophobicContact CD2-CG2 4Å; F95-I457 HydrophobicContact CB-CD1 3.68Å; F95-I457 HydrophobicContact CD1-CG2 4.12Å; F95-I457 HydrophobicContact CD2-CB 4.45Å; F95-I457 HydrophobicContact CD2-CD1 4.22Å; F95-I457 HydrophobicContact CD2-CG2 4.23Å; F95-I457 HydrophobicContact CE1-CG2 4.4Å; F95-I457 HydrophobicContact CG-CD1 4.06Å; F95-I457 HydrophobicContact CG-CG2 4.05Å; L453-I457 HydrophobicContact CB-CD1 4.13Å; L453-I457 HydrophobicContact CD2-CD1 4.23Å; L453-I457 VanDerWaalsContact O-CB 3.31Å; L453-I457 WeakPolarHBondContact O-CB 3.46Å; L453-I457 WeakPolarHBondContact O-CG1 3.29Å; L453-I457 PolarHBondContact O-N 3.36Å; G454-I457 PolarHBondContact O-N 2.79Å; I457-W460 HydrophobicContact CG2-CE3 4.14Å; I457-W460 WeakPolarHBondContact O-CB 3.37Å; I457-W460 PolarHBondContact O-N 2.7Å; I457-M461 HydrophobicContact CG2-CE 3.71Å; I457-M461 HydrophobicContact CG2-CG 4.09Å; I457-M461 HydrophobicContact CG2-SD 4.05Å; I457-M461 WeakPolarHBondContact O-CG 3.36Å; I457-M461 PolarHBondContact O-N 2.84Å
458E65.9Low55Low81 Ų8175.5 Ų75.538%0.37941%0.413SS..Hα-helixtrans-64.1-48.6-178.7-54.1-174.5167.600112.2F295 G454 W460 M461 T462F295-E458 HydrophobicContact CD1-CG 4.3Å; F295-E458 HydrophobicContact CE1-CB 3.84Å; F295-E458 HydrophobicContact CE1-CG 3.22Å; F295-E458 VanDerWaalsContact CE1-OE1 3.26Å; F295-E458 WeakPolarHBondContact CE1-OE1 3.45Å; F295-E458 HydrophobicContact CE2-CB 4.23Å; F295-E458 HydrophobicContact CE2-CG 4.45Å; F295-E458 HydrophobicContact CZ-CB 3.48Å; F295-E458 VanDerWaalsContact CZ-CB 3.48Å; F295-E458 HydrophobicContact CZ-CG 3.3Å; G454-E458 VanDerWaalsContact O-CB 3.24Å; G454-E458 WeakPolarHBondContact O-CB 3.45Å; G454-E458 WeakPolarHBondContact O-CG 3.07Å; G454-E458 PolarHBondContact O-N 3.06Å; E458-W460 VanDerWaalsContact C-N 3.27Å; E458-W460 PolarHBondContact O-N 3.1Å; E458-M461 PolarHBondContact O-N 2.92Å; E458-T462 WeakPolarHBondContact O-CB 3.47Å; E458-T462 PolarHBondContact O-N 3.04Å; E458-T462 PolarHBondContact O-OG1 2.94Å
459P69.7Low55.2Low54 Ų5479 Ų7935%0.35143%0.425SS..Hα-helixtrans-64.1-32.5173.8-23.736.8000112.9D455 R463D455-P459 WeakPolarHBondContact O-CD 3.45Å; D455-P459 WeakPolarHBondContact O-CG 3.41Å; P459-R463 VanDerWaalsContact O-CG 3.29Å; P459-R463 WeakPolarHBondContact O-CG 3.33Å; P459-R463 PolarHBondContact O-N 3.02Å
460W75.7Confident55.3Low12 Ų1281 Ų815%0.04544%0.44CS..Hα-helixtrans-62.8-52.9174.3173.683000110.7P87 L92 M136 G137 W290 F456 I457 E458 T462 R463 H464P87-W460 VanDerWaalsContact CD-CD2 3.42Å; P87-W460 VanDerWaalsContact CD-CE2 3.49Å; P87-W460 HydrophobicContact CG-CD2 3.9Å; P87-W460 HydrophobicContact CG-CE3 3.74Å; P87-W460 HydrophobicContact CG-CH2 4.29Å; P87-W460 HydrophobicContact CG-CZ2 4.42Å; P87-W460 HydrophobicContact CG-CZ3 3.95Å; L92-W460 HydrophobicContact CD2-CE3 4.47Å; L92-W460 HydrophobicContact CD2-CH2 4.39Å; L92-W460 HydrophobicContact CD2-CZ3 3.78Å; M136-W460 HydrophobicContact CB-CH2 3.97Å; M136-W460 HydrophobicContact CB-CZ2 3.55Å; M136-W460 HydrophobicContact CG-CH2 4.19Å; M136-W460 HydrophobicContact CG-CZ2 4.28Å; G137-W460 PolarHBondContact O-NE1 3.42Å; G137-W460 VanDerWaalsContact O-NE1 3.07Å; W290-W460 AromaticContact CD1-CH2 3.87Å; W290-W460 AromaticContact CD1-CZ3 3.71Å; W290-W460 HydrophobicContact CG-CZ3 4.5Å; W290-W460 AromaticContact NE1-CH2 3.64Å; W290-W460 AromaticContact NE1-CZ3 3.97Å; F456-W460 WeakPolarHBondContact O-CB 3.41Å; F456-W460 PolarHBondContact O-N 3.35Å; I457-W460 HydrophobicContact CG2-CE3 4.14Å; I457-W460 WeakPolarHBondContact O-CB 3.37Å; I457-W460 PolarHBondContact O-N 2.7Å; E458-W460 VanDerWaalsContact C-N 3.27Å; E458-W460 PolarHBondContact O-N 3.1Å; W460-T462 PolarHBondContact O-N 2.85Å; W460-R463 PolarHBondContact O-N 2.98Å; W460-H464 AromaticContact CD1-CD2 3.37Å; W460-H464 AromaticContact CD1-NE2 3.99Å; W460-H464 AromaticContact CG-CD2 3.87Å; W460-H464 AromaticContact NE1-CD2 3.63Å; W460-H464 VanDerWaalsContact O-CB 3.26Å; W460-H464 WeakPolarHBondContact O-CB 3.1Å; W460-H464 PolarHBondContact O-CD2 3.37Å; W460-H464 PolarHBondContact O-N 2.72Å
461M68.8Low55.1Low9 Ų983 Ų834%0.04447%0.465CS..Hα-helixtrans-63.6-41.5-179.4-67.5-172.5-68.600112.8F95 W290 F295 I457 E458 R463 H464 Q465F95-M461 HydrophobicContact CD1-CE 4.1Å; F95-M461 HydrophobicContact CD1-SD 4.35Å; F95-M461 HydrophobicContact CE1-CE 3.15Å; F95-M461 HydrophobicContact CE1-SD 3.64Å; F95-M461 HydrophobicContact CE2-CE 3.94Å; F95-M461 HydrophobicContact CZ-CE 3.09Å; F95-M461 HydrophobicContact CZ-SD 4.21Å; W290-M461 HydrophobicContact CB-SD 3.95Å; F295-M461 HydrophobicContact CE1-CE 4.39Å; F295-M461 HydrophobicContact CE2-CE 3.85Å; F295-M461 HydrophobicContact CZ-CE 3.34Å; I457-M461 HydrophobicContact CG2-CE 3.71Å; I457-M461 HydrophobicContact CG2-CG 4.09Å; I457-M461 HydrophobicContact CG2-SD 4.05Å; I457-M461 WeakPolarHBondContact O-CG 3.36Å; I457-M461 PolarHBondContact O-N 2.84Å; E458-M461 PolarHBondContact O-N 2.92Å; M461-R463 PolarHBondContact O-N 2.84Å; M461-H464 PolarHBondContact O-N 2.86Å; M461-Q465 PolarHBondContact O-N 3.37Å
462T62Low54.6Low106 Ų10679.4 Ų79.465%0.6547%0.466SS*.Hα-helixtrans-61.6-31.8-178.4-490000111.8E458 W460E458-T462 WeakPolarHBondContact O-CB 3.47Å; E458-T462 PolarHBondContact O-N 3.04Å; E458-T462 PolarHBondContact O-OG1 2.94Å; W460-T462 PolarHBondContact O-N 2.85Å
463R62.6Low53.7Low177 Ų17783.1 Ų83.167%0.66848%0.477SS*.Hα-helixtrans-84.5-14.2177.2-67.1177.5-159.6-175.16.9113.4P459 W460 M461P459-R463 VanDerWaalsContact O-CG 3.29Å; P459-R463 WeakPolarHBondContact O-CG 3.33Å; P459-R463 PolarHBondContact O-N 3.02Å; W460-R463 PolarHBondContact O-N 2.98Å; M461-R463 PolarHBondContact O-N 2.84Å
464H63.6Low52.5Low37 Ų3789.5 Ų89.517%0.17151%0.51CS..Hα-helixtrans-136.219.2-158-54-35.1000114.7G139 W460 M461G139-H464 WeakPolarHBondContact CA-ND1 3.27Å; G139-H464 PolarHBondContact N-CE1 3.19Å; G139-H464 PolarHBondContact N-ND1 3.44Å; G139-H464 VanDerWaalsContact N-ND1 3.12Å; G139-H464 PolarHBondContact N-NE2 3.28Å; W460-H464 AromaticContact CD1-CD2 3.37Å; W460-H464 AromaticContact CD1-NE2 3.99Å; W460-H464 AromaticContact CG-CD2 3.87Å; W460-H464 AromaticContact NE1-CD2 3.63Å; W460-H464 VanDerWaalsContact O-CB 3.26Å; W460-H464 WeakPolarHBondContact O-CB 3.1Å; W460-H464 PolarHBondContact O-CD2 3.37Å; W460-H464 PolarHBondContact O-N 2.72Å; M461-H464 PolarHBondContact O-N 2.86Å
465Q53.6Low51.5Low127 Ų12794.4 Ų94.459%0.59354%0.542SS*.PPolyproline II helixtrans-61.3129.9165.1-81.7-170.9-19.300109.6N291 M461 S467N291-Q465 PolarHBondContact O-NE2 3.41Å; M461-Q465 PolarHBondContact O-N 3.37Å; Q465-S467 PolarHBondContact O-N 3.24Å; Q465-S467 VanDerWaalsContact O-N 3.1Å
466P47.1Very low50.6Low72 Ų7294.6 Ų94.647%0.46854%0.542SS..PPolyproline II helixtrans-60.8117.1171.422.4-28.6000108.8G468P466-G468 PolarHBondContact O-N 2.87Å
467S43.3Very low48.8Very low99 Ų9994.6 Ų94.669%0.69256%0.563SS**PPolyproline II helixtrans-62.5122161.949.80000106.8Q465 D469Q465-S467 PolarHBondContact O-N 3.24Å; Q465-S467 VanDerWaalsContact O-N 3.1Å; S467-D469 PolarHBondContact O-N 2.77Å
468G41Very low47.1Very low81 Ų81100.8 Ų100.884%0.83560%0.595SS**THydrogen-bonded Turntrans-66.128.1-169.300000117.3P466P466-G468 PolarHBondContact O-N 2.87Å
469D39.4Very low45.5Very low151 Ų151102.2 Ų102.281%0.80761%0.614SS**THydrogen-bonded Turntrans-1144.6-172.2-90.7-20000115.4S467S467-D469 PolarHBondContact O-N 2.77Å
470D38Very low44Very low162 Ų162107.5 Ų107.587%0.86663%0.634SS**  trans-110.655.7179.2-113.1-14.1000112.2G472D470-G472 PolarHBondContact O-N 3.34Å; D470-G472 VanDerWaalsContact O-N 3.11Å
471S32.2Very low42.1Very low113 Ų113114.6 Ų114.679%0.7967%0.673SS**  trans-81.669.6164.956.90000110.3Q473S471-Q473 PolarHBondContact O-N 3.19Å
472G32.9Very low40.8Very low67 Ų67119.8 Ų119.869%0.69171%0.707SS**  trans-69.1108.3164.500000109.5D470 L474D470-G472 PolarHBondContact O-N 3.34Å; D470-G472 VanDerWaalsContact O-N 3.11Å; G472-L474 PolarHBondContact O-N 2.88Å
473Q28.9Very low39.8Very low178 Ų178122.9 Ų122.983%0.83272%0.719SS**  trans-50.299.7173.2-80.6164-14.800111.1S471 C475S471-Q473 PolarHBondContact O-N 3.19Å; Q473-C475 PolarHBondContact O-N 3.38Å
474L31.7Very low38.9Very low163 Ų163120 Ų12085%0.85372%0.723SS**  trans-87.588154.8-14786000106.4G472 I476G472-L474 PolarHBondContact O-N 2.88Å; L474-I476 PolarHBondContact O-N 3.44Å
475C29.4Very low38.2Very low109 Ų109127.8 Ų127.874%0.73676%0.759SS**  trans-56.5106172.3-69.60000109.1Q473 G477Q473-C475 PolarHBondContact O-N 3.38Å; C475-G477 PolarHBondContact O-N 2.99Å
476I38.5Very low38Very low115 Ų115130.4 Ų130.459%0.5977%0.771SS**  trans-73.589.3164.6-46.8176.3000105.3L474 L478L474-I476 PolarHBondContact O-N 3.44Å; I476-L478 VanDerWaalsContact C-N 3.33Å; I476-L478 PolarHBondContact O-N 3.41Å
477G29.4Very low38Very low73 Ų73132.6 Ų132.675%0.75379%0.786SS**  trans-64.891.4174.500000110.2C475 S479C475-G477 PolarHBondContact O-N 2.99Å; G477-S479 PolarHBondContact O-N 3.5Å
478L36.5Very low38Very low131 Ų131131.1 Ų131.169%0.68679%0.785SS**  trans-82.399.3158.7-72.2172.7000107I476 H480I476-L478 VanDerWaalsContact C-N 3.33Å; I476-L478 PolarHBondContact O-N 3.41Å; L478-H480 PolarHBondContact O-N 3.38Å
479S31.8Very low38.2Very low110 Ų110134.9 Ų134.977%0.76978%0.781SS**  trans-64.1102164.358.20000108.4G477G477-S479 PolarHBondContact O-N 3.5Å
480H37.1Very low38.4Very low166 Ų166135.1 Ų135.177%0.76978%0.777SS**  trans-100108157.7-86.326.5000107.2L478 P482L478-H480 PolarHBondContact O-N 3.38Å; H480-P482 WeakPolarHBondContact O-CD 3.3Å
481N37.2Very low38.5Very low161 Ų161132.5 Ų132.586%0.86177%0.767SS**PPolyproline II helixtrans-69.6124.3163.1-84.6-16.1000108.4
482P41.4Very low39.1Very low117 Ų117134.7 Ų134.776%0.7676%0.764SS**PPolyproline II helixtrans-90.3129156.7145000109.3H480H480-P482 WeakPolarHBondContact O-CD 3.3Å
483L40.4Very low39.4Very low172 Ų172141 Ų14190%0.90177%0.773SS**PPolyproline II helixtrans-52137.6165.2-74.8145.7000111
484P44.6Very low39.9Very low117 Ų117137.7 Ų137.776%0.7677%0.769SS**  trans-105.7127.7163.232.8-22.1000111.2
485E47.2Very low40.1Very low200 Ų200135.7 Ų135.794%0.93577%0.766SS**  trans-76.6140.6164.8-70.5-174.4155.300110.8
486H51Low40.6Very low181 Ų181138.2 Ų138.284%0.83877%0.772SS**  trans-68.2-179.9-175.5-87.1-75.1000115.1
487P46.3Very low40.5Very low119 Ų119137 Ų13777%0.77377%0.773SS**  -135.7168.2-67.137.5-17.6000112.5
488G44.1Very low41Very low67 Ų67143.8 Ų143.869%0.69178%0.775SS**  trans-159.797.3174.400000114.8
489H44.3Very low41.1Very low161 Ų161144 Ų14475%0.74578%0.777SS**  trans63.5125.1139.1-85.7-81.3000123.2
490H42.7Very low41.4Very low155 Ų155143.9 Ų143.972%0.71877%0.774SS**  trans73.8139.1150.5-61.3-60.4000119.2
491T41.9Very low41.7Very low107 Ų107146 Ų14666%0.65678%0.784SS**  cis-174.3143.8-18.216.30000106
492H43.1Very low42Very low159 Ų159142.2 Ų142.274%0.73678%0.783SS**  trans55.8114.7152.8-76.6-76.9000122.1
493F39.6Very low41.8Very low201 Ų201141.1 Ų141.188%0.88278%0.784SS**  -179.3149.297.7-109.1-86.8000112.3
494S39.4Very low41.5Very low107 Ų107138.9 Ų138.975%0.74878%0.777SS**  trans-77.4168.8-160.1-58.10000117.7
495P37.2Very low40.9Very low121 Ų121143.6 Ų143.679%0.78678%0.78SS**  trans-104159.2-169.939-29.7000113.9
496L38.7Very low40.4Very low163 Ų163149.2 Ų149.285%0.85379%0.793SS**  trans-155.1131.8167.7-96.9160.3000113.6
497C36.9Very low39.9Very low90 Ų90147.7 Ų147.761%0.60879%0.791SS**  trans75.8114.5144.4-71.40000121
498R39.8Very low39.5Very low215 Ų215149.2 Ų149.281%0.81179%0.792SS**  86.513892.3-78.7-173.5-170.1-153.82.7111.3
499D38.4Very low39.3Very low134 Ų134153.7 Ų153.772%0.71780%0.797SS**  cis-156.8162.36.5-95.9-38000107.7
500P39.2Very low39Very low109 Ų109153.3 Ų153.371%0.70880%0.8SS**  trans-100.1139.517435.8-25.8000111.7
501E42.2Very low38.8Very low209 Ų209153.2 Ų153.298%0.97781%0.805SS**  trans-175.9132.8154.6-109.4170.7-158.300110.9
502G43.2Very low38.6Very low82 Ų82156.3 Ų156.385%0.84582%0.815SS**  trans168.268.6179.800000112.9
503A37Very low38.2Very low94 Ų94156.1 Ų156.178%0.77782%0.821SS**  trans-72.9168179.200000114
504V35.3Very low38.1Very low125 Ų125152.6 Ų152.676%0.75882%0.816SS**  trans116.3105.4144.6-171.30000117
505R30.5Very low38Very low217 Ų217156.4 Ų156.482%0.81982%0.822SS**  trans39.2125.3133.9-57.7176.4172.2-173.3-3.5117.7
506W37.8Very low38.1Very low318 Ų318159.6 Ų159.6100%1.20583%0.825SS**  cis-143047.1-87.982.2000113.2

Retrieved 506 of 506 residues in 1296.9 ms (Link to these results)

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