A0A087X9U4_POEFO Loading...

Ufm1-specific protease 2

AlphaFold DB , UniProt , Accession A0A087X9U4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 466 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
1M30.8Very low48.1Very low169 Ų16990.9 Ų90.983%0.83353%0.526SS*.  0104.20-164.4170.284.400104.8L3M1-L3 PolarHBondContact O-N 3.44Å
2V22.5Very low51.8Low140 Ų14083.4 Ų83.485%0.84848%0.483SS*.  trans-70.7113.8174.91780000104.6A4V2-A4 PolarHBondContact O-N 3.46Å
3L27.3Very low55.2Low145 Ų14578.2 Ų78.276%0.75945%0.45SS*.  trans-66.2112.1170.7-79.3155.1000106M1 D5M1-L3 PolarHBondContact O-N 3.44Å; L3-D5 PolarHBondContact O-N 2.87Å
4A27.2Very low58.1Low59 Ų5972.6 Ų72.649%0.48842%0.418SS..  trans-61131.3169.100000108.8V2 E202V2-A4 PolarHBondContact O-N 3.46Å; A4-E202 WeakPolarHBondContact CB-OE1 3.46Å
5D29.4Very low60.7Low149 Ų14973.7 Ų73.780%0.79741%0.412SS*.  trans-77.7144.1174.6-106.4-29.5000110.6L3L3-D5 PolarHBondContact O-N 2.87Å
6S35.9Very low62.9Low99 Ų9969.9 Ų69.969%0.69240%0.396SS*.SBendtrans81.439.7143.189.60000123.4
7E46.3Very low64.8Low142 Ų14271.1 Ų71.166%0.66441%0.406SS*.  trans-139.9142.3153.1-70.5-167.216900112.5A9E7-A9 VanDerWaalsContact C-N 3.29Å; E7-A9 PolarHBondContact O-N 3.06Å
8S58.3Low66.4Low66 Ų6667.5 Ų67.546%0.46239%0.386SS..  trans-69.583.7172.744.80000109.8E80S8-E80 PolarHBondContact OG-OE1 3.27Å
9A73.8Confident67.9Low26 Ų2668.3 Ų68.322%0.21539%0.389CS..  trans-78.5129.1-179.200000110.8E7 T109 S110 W152E7-A9 VanDerWaalsContact C-N 3.29Å; E7-A9 PolarHBondContact O-N 3.06Å; A9-T109 WeakPolarHBondContact O-CA 3.29Å; A9-S110 PolarHBondContact O-N 2.71Å; A9-W152 HydrophobicContact CB-CE3 3.63Å; A9-W152 HydrophobicContact CB-CH2 4.13Å; A9-W152 HydrophobicContact CB-CZ3 3.21Å
10V86.9Confident69.1Low5 Ų565 Ų653%0.0337%0.37CS..EExtended strand (participates in β ladder)trans-107.7132.4179.6179.90000109.4L12 F83 S110 I112 S153V10-L12 HydrophobicContact CG1-CD2 4.24Å; V10-F83 HydrophobicContact CG1-CE2 4.47Å; V10-F83 HydrophobicContact CG1-CZ 4.24Å; V10-F83 HydrophobicContact CG2-CE2 4.22Å; V10-S110 CarbonylContact C-O 3.51Å; V10-S110 WeakPolarHBondContact CA-O 3.42Å; V10-I112 HydrophobicContact CG1-CD1 3.89Å; V10-I112 HydrophobicContact CG1-CG1 4.1Å; V10-S153 PolarHBondContact N-O 3.42Å; V10-S153 PolarHBondContact O-N 3.25Å
11I90.9Very high70.2Confident0 Ų068 Ų680%038%0.379CS..EExtended strand (participates in β ladder)trans-102.1125172.5-59.7175.3000109T109 S110 I111 I112 A150 W152 L206 Y246 F248I11-T109 HydrophobicContact CD1-CG2 3.59Å; I11-T109 HydrophobicContact CG1-CG2 3.74Å; I11-S110 PolarHBondContact N-O 3.39Å; I11-I111 HydrophobicContact CB-CG1 4.37Å; I11-I111 WeakPolarHBondContact O-CA 3.41Å; I11-I112 PolarHBondContact O-N 2.9Å; I11-A150 HydrophobicContact CG2-CB 4.23Å; I11-W152 HydrophobicContact CD1-CE3 4.43Å; I11-W152 HydrophobicContact CD1-CH2 3.7Å; I11-W152 HydrophobicContact CD1-CZ2 3.84Å; I11-W152 HydrophobicContact CD1-CZ3 3.98Å; I11-W152 HydrophobicContact CG1-CD2 3.96Å; I11-W152 HydrophobicContact CG1-CE3 3.6Å; I11-W152 HydrophobicContact CG1-CH2 3.74Å; I11-W152 HydrophobicContact CG1-CZ2 4.06Å; I11-W152 HydrophobicContact CG1-CZ3 3.46Å; I11-W152 VanDerWaalsContact CG1-CZ3 3.46Å; I11-L206 HydrophobicContact CG2-CD2 4.36Å; I11-Y246 HydrophobicContact CD1-CE1 3.9Å; I11-F248 HydrophobicContact CG2-CE1 4.05Å
12L92.4Very high73Confident1 Ų160 Ų601%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-94.4125.1168.6-48.8174.5000108.4V10 F79 I112 L114 A150 V151 L166V10-L12 HydrophobicContact CG1-CD2 4.24Å; L12-F79 HydrophobicContact CD1-CD1 4.29Å; L12-F79 HydrophobicContact CD1-CE1 3.57Å; L12-F79 HydrophobicContact CD1-CE2 3.95Å; L12-F79 HydrophobicContact CD1-CZ 3.35Å; L12-F79 HydrophobicContact CD2-CD1 3.78Å; L12-F79 HydrophobicContact CD2-CE1 3.72Å; L12-F79 HydrophobicContact CD2-CG 4.47Å; L12-F79 HydrophobicContact CD2-CZ 4.34Å; L12-F79 HydrophobicContact CG-CE1 4.29Å; L12-F79 HydrophobicContact CG-CZ 4.45Å; L12-I112 HydrophobicContact CD2-CB 3.95Å; L12-I112 HydrophobicContact CD2-CD1 3.9Å; L12-I112 HydrophobicContact CD2-CG1 4.35Å; L12-L114 HydrophobicContact CB-CD1 4.23Å; L12-A150 CarbonylContact O-C 3.58Å; L12-A150 VanDerWaalsContact O-CA 3.28Å; L12-A150 WeakPolarHBondContact O-CA 3.24Å; L12-V151 HydrophobicContact CB-CG2 3.93Å; L12-V151 HydrophobicContact CD1-CG2 4.11Å; L12-V151 HydrophobicContact CG-CG2 4.36Å; L12-V151 PolarHBondContact N-O 3.09Å; L12-V151 PolarHBondContact O-N 3.2Å; L12-L166 HydrophobicContact CB-CD1 3.88Å; L12-L166 HydrophobicContact CB-CD2 4.12Å; L12-L166 HydrophobicContact CB-CG 4.12Å; L12-L166 HydrophobicContact CD1-CD1 4.12Å; L12-L166 HydrophobicContact CD1-CG 4.35Å
13R95.5Very high76.1Confident15 Ų1558.9 Ų58.96%0.05733%0.325CS..EExtended strand (participates in β ladder)trans-125.8108.6-178.7-171.5178.5179-167.5-0.1111.3R15 I111 I112 N113 L114 D148 C149 A150 F248 E251R13-R15 HydrophobicContact CG-CG 4.4Å; R13-I111 HydrophobicContact CB-CG2 4.47Å; R13-I112 PolarHBondContact N-O 3.49Å; R13-N113 CarbonylContact O-C 3.57Å; R13-N113 WeakPolarHBondContact O-CA 3.34Å; R13-L114 PolarHBondContact O-N 3.43Å; R13-D148 WeakPolarHBondContact CG-OD1 3.45Å; R13-D148 IonicContact CZ-OD1 3.72Å; R13-D148 IonicContact CZ-OD2 2.67Å; R13-D148 IonicContact NE-OD1 2.97Å; R13-D148 PolarHBondContact NE-OD1 3.36Å; R13-D148 IonicContact NE-OD2 2.77Å; R13-D148 PolarHBondContact NE-OD2 3.1Å; R13-D148 IonicContact NH2-OD1 3.47Å; R13-D148 IonicContact NH2-OD2 3.78Å; R13-D148 PolarHBondContact NH2-OD2 3.08Å; R13-C149 CarbonylContact C-O 3.52Å; R13-C149 VanDerWaalsContact CA-O 3.3Å; R13-C149 WeakPolarHBondContact CA-O 3.33Å; R13-A150 HydrophobicContact CG-CB 4.42Å; R13-F248 VanDerWaalsContact CZ-CE2 3.47Å; R13-E251 IonicContact CZ-OE1 3.48Å; R13-E251 IonicContact NH1-OE1 2.68Å; R13-E251 PolarHBondContact NH1-OE1 3.33Å; R13-E251 IonicContact NH1-OE2 3.61Å; R13-E251 IonicContact NH2-OE1 2.9Å
14L96.6Very high78.9Confident0 Ų052.5 Ų52.50%029%0.292CS..EExtended strand (participates in β ladder)trans-94122.5177.7178.966.4000110.7L54 L114 L116 D148 C149 L166 L170L14-L54 HydrophobicContact CD1-CD2 3.73Å; L14-L54 HydrophobicContact CD2-CD2 3.77Å; L14-L54 HydrophobicContact CG-CD2 4.42Å; L14-L114 CarbonylContact C-O 3.54Å; L14-L114 WeakPolarHBondContact CA-O 3.43Å; L14-L114 HydrophobicContact CB-CB 4.48Å; L14-L114 HydrophobicContact CD1-CB 3.69Å; L14-L116 HydrophobicContact CD1-CB 3.93Å; L14-L116 HydrophobicContact CD2-CB 4.47Å; L14-L116 HydrophobicContact CD2-CD1 4.47Å; L14-L116 HydrophobicContact CG-CB 4.21Å; L14-D148 CarbonylContact O-C 3.58Å; L14-D148 WeakPolarHBondContact O-CA 3.35Å; L14-C149 HydrophobicContact CB-CB 4.48Å; L14-C149 PolarHBondContact N-O 2.79Å; L14-C149 PolarHBondContact O-N 2.89Å; L14-L166 HydrophobicContact CB-CD2 4.04Å; L14-L170 HydrophobicContact CD2-CD1 4.22Å; L14-L170 HydrophobicContact CD2-CD2 3.88Å; L14-L170 HydrophobicContact CD2-CG 4.47Å
15R97.3Very high81.5Confident89 Ų8954.3 Ų54.334%0.33629%0.293SS..EExtended strand (participates in β ladder)trans-122.6147.1175.8-69.6-173.3-67.3-167.2-3.6112.1R13 L114 S115 L116 M147 D148 E251R13-R15 HydrophobicContact CG-CG 4.4Å; R15-L114 PolarHBondContact N-O 3.46Å; R15-S115 CarbonylContact O-C 3.56Å; R15-S115 VanDerWaalsContact O-CA 3.26Å; R15-S115 WeakPolarHBondContact O-CA 3.38Å; R15-L116 PolarHBondContact O-N 3.18Å; R15-M147 CarbonylContact C-O 3.59Å; R15-M147 VanDerWaalsContact CA-O 3.25Å; R15-M147 WeakPolarHBondContact CA-O 3.4Å; R15-D148 HydrophobicContact CG-CB 4.29Å; R15-D148 VanDerWaalsContact CG-OD1 3.3Å; R15-D148 WeakPolarHBondContact CG-OD1 3.32Å; R15-E251 IonicContact NH1-OE1 3.42Å; R15-E251 PolarHBondContact NH1-OE1 2.91Å; R15-E251 VanDerWaalsContact NH1-OE1 3.11Å
16G95.3Very high83.8Confident14 Ų1455.1 Ų55.114%0.14429%0.285CS..EExtended strand (participates in β ladder)trans170.5157.316800000113.8M147G16-M147 PolarHBondContact N-O 3.37Å; G16-M147 WeakPolarHBondContact O-CA 3.2Å; G16-M147 WeakPolarHBondContact O-CB 3.39Å; G16-M147 WeakPolarHBondContact O-CG 3.46Å; G16-M147 PolarHBondContact O-N 2.93Å
17P95.3Very high85.9Confident89 Ų8954.9 Ų54.958%0.57828%0.275SS*.EExtended strand (participates in β ladder)trans-78.7141177.331.5-32.8000111.3T144P17-T144 HydrophobicContact CB-CG2 3.5Å
18L94.4Very high87.7Confident7 Ų752.5 Ų52.54%0.03727%0.267CS..EExtended strand (participates in β ladder)trans-122.3128.6161.7-72.1179.7000110.2L20 V47 L116 L145 M147 L174L18-L20 PolarHBondContact O-N 3.39Å; L18-V47 HydrophobicContact CD1-CG2 3.92Å; L18-L116 HydrophobicContact CD1-CD2 4.07Å; L18-L116 HydrophobicContact CD2-CD2 4.03Å; L18-L116 HydrophobicContact CG-CD2 3.95Å; L18-L145 HydrophobicContact CB-CB 4.43Å; L18-L145 PolarHBondContact N-O 2.93Å; L18-L145 WeakPolarHBondContact O-CB 3.24Å; L18-L145 PolarHBondContact O-N 3.38Å; L18-M147 HydrophobicContact CB-CG 4.23Å; L18-M147 HydrophobicContact CD1-CE 4.31Å; L18-M147 HydrophobicContact CD1-CG 3.69Å; L18-M147 HydrophobicContact CD1-SD 3.93Å; L18-M147 HydrophobicContact CG-CG 3.75Å; L18-M147 HydrophobicContact CG-SD 4.45Å; L18-L174 HydrophobicContact CD1-CD2 4.21Å
19D93.8Very high88.9Confident83 Ų8356 Ų5644%0.44428%0.276SS..EExtended strand (participates in β ladder)trans-79.4113.7179-82.1-3.9000111K21D19-K21 WeakPolarHBondContact OD2-CE 3.48Å; D19-K21 IonicContact OD2-NZ 3.08Å; D19-K21 PolarHBondContact OD2-NZ 2.97Å; D19-K21 VanDerWaalsContact OD2-NZ 3.08Å
20L92.3Very high89.5Confident1 Ų158.8 Ų58.81%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-85.2109.7166-174.578.6000108.7L18 T39 F40 L43 C142 A143 L145 L190L18-L20 PolarHBondContact O-N 3.39Å; L20-T39 HydrophobicContact CD1-CG2 3.49Å; L20-T39 VanDerWaalsContact CD1-CG2 3.49Å; L20-T39 HydrophobicContact CG-CG2 4.26Å; L20-F40 HydrophobicContact CD1-CD2 4.17Å; L20-F40 HydrophobicContact CD1-CE2 4Å; L20-F40 HydrophobicContact CD1-CZ 4.26Å; L20-F40 HydrophobicContact CD2-CE2 4.29Å; L20-F40 HydrophobicContact CD2-CZ 4.47Å; L20-L43 HydrophobicContact CD1-CD1 3.7Å; L20-C142 VanDerWaalsContact O-CA 3.31Å; L20-C142 WeakPolarHBondContact O-CA 3.43Å; L20-A143 HydrophobicContact CB-CB 4.49Å; L20-A143 WeakPolarHBondContact CB-O 3.33Å; L20-A143 PolarHBondContact N-O 2.9Å; L20-A143 PolarHBondContact O-N 2.82Å; L20-L145 HydrophobicContact CB-CD1 4.18Å; L20-L145 HydrophobicContact CB-CD2 4.4Å; L20-L145 HydrophobicContact CB-CG 4.05Å; L20-L145 HydrophobicContact CD1-CD1 4.46Å; L20-L190 HydrophobicContact CD2-CD2 3.83Å
21K91.9Very high89.5Confident129 Ų12961.1 Ų61.156%0.56131%0.305SS*.EExtended strand (participates in β ladder)trans-120.3102.2174.4-65.8176.3-174.3161.30109.1D19 T39D19-K21 WeakPolarHBondContact OD2-CE 3.48Å; D19-K21 IonicContact OD2-NZ 3.08Å; D19-K21 PolarHBondContact OD2-NZ 2.97Å; D19-K21 VanDerWaalsContact OD2-NZ 3.08Å; K21-T39 WeakPolarHBondContact O-CG2 3.32Å
22C89.6Confident89.4Confident1 Ų161.4 Ų61.41%0.00731%0.307CS..EExtended strand (participates in β ladder)trans-111.2115.4-176.9-172.30000110.1T39 L141C22-T39 HydrophobicContact CB-CG2 4.36Å; C22-T39 WeakPolarHBondContact CB-OG1 3.44Å; C22-T39 PolarHBondContact SG-OG1 3.5Å; C22-L141 HydrophobicContact CB-CB 4.22Å; C22-L141 PolarHBondContact N-O 2.93Å; C22-L141 PolarHBondContact O-N 3.02Å
23Q88Confident89.2Confident117 Ų11764.3 Ų64.355%0.54732%0.32SS..EExtended strand (participates in β ladder)trans-83.8127.3173.1-177.6175.8-18.900109.7
24L85.4Confident89.1Confident11 Ų1169.7 Ų69.76%0.05834%0.344CS..EExtended strand (participates in β ladder)trans-116.4110.8-177.3-60176.3000109.5R26 M32 A35 H139 L141L24-R26 VanDerWaalsContact C-N 3.33Å; L24-M32 HydrophobicContact CD1-CE 4.41Å; L24-M32 HydrophobicContact CD1-CG 3.84Å; L24-M32 HydrophobicContact CD1-SD 4.24Å; L24-M32 HydrophobicContact CD2-CB 4.33Å; L24-M32 HydrophobicContact CD2-CG 3.74Å; L24-M32 HydrophobicContact CG-CG 4.44Å; L24-A35 HydrophobicContact CD2-CB 3.59Å; L24-H139 HydrophobicContact CB-CB 4.1Å; L24-H139 PolarHBondContact N-O 3.18Å; L24-H139 PolarHBondContact O-N 2.92Å; L24-L141 HydrophobicContact CD1-CB 4.29Å
25D82.3Confident88.8Confident96 Ų9670.6 Ų70.651%0.51335%0.351SS..SBendtrans-77.9-23.5175-63.5-32.8000112.3Q136D25-Q136 PolarHBondContact OD1-NE2 2.88Å
26R78.8Confident88.6Confident167 Ų16766.3 Ų66.363%0.6334%0.335SS*.  trans-140.4152.2178.5-60.6-174.7-174.4-177.21.3110L24 P31L24-R26 VanDerWaalsContact C-N 3.33Å; R26-P31 HydrophobicContact CB-CB 4.4Å
27I79.6Confident88.6Confident94 Ų9467.3 Ų67.348%0.48234%0.34SS..  trans-101.36.4179.559.2171000113.3M32 T188I27-M32 HydrophobicContact CB-CE 4.14Å; I27-M32 VanDerWaalsContact O-CE 3.32Å; I27-M32 WeakPolarHBondContact O-CE 3.42Å; I27-T188 HydrophobicContact CB-CG2 4.48Å; I27-T188 HydrophobicContact CG2-CG2 4.33Å
28D83.5Confident88.6Confident92 Ų9271.6 Ų71.649%0.49234%0.344SS..SBendtrans-63.3143170.9-54.1-53.9000109.9V30 P31 M32D28-V30 PolarHBondContact O-N 3.17Å; D28-P31 HydrophobicContact CB-CG 3.91Å; D28-P31 WeakPolarHBondContact O-CD 3.25Å; D28-M32 WeakPolarHBondContact O-CB 3.23Å; D28-M32 PolarHBondContact O-N 3.43Å
29E82.9Confident88.6Confident140 Ų14072.4 Ų72.465%0.65435%0.35SS*.Hα-helixtrans-56.2-51.2-172.3-174.3179.717500113M32 Q33E29-M32 PolarHBondContact O-N 3.26Å; E29-Q33 WeakPolarHBondContact O-CG 3.45Å; E29-Q33 PolarHBondContact O-N 3.16Å; E29-Q33 PolarHBondContact OE1-NE2 3.37Å
30V86.6Confident88.8Confident84 Ų8468.4 Ų68.451%0.50933%0.328SS..Hα-helixtrans-65.7-48.3-175.7174.70000112.7D28 M32 K34D28-V30 PolarHBondContact O-N 3.17Å; V30-M32 VanDerWaalsContact C-N 3.29Å; V30-M32 PolarHBondContact O-N 3.38Å; V30-K34 HydrophobicContact CG1-CD 4.42Å; V30-K34 WeakPolarHBondContact O-CG 3.49Å; V30-K34 PolarHBondContact O-N 2.95Å; V30-K34 VanDerWaalsContact O-N 3.09Å
31P87.7Confident89Confident53 Ų5373.6 Ų73.634%0.34435%0.352SS..Hα-helixtrans-57.3-39.2171.4-28.636.6000113.9R26 D28 K34 A35R26-P31 HydrophobicContact CB-CB 4.4Å; D28-P31 HydrophobicContact CB-CG 3.91Å; D28-P31 WeakPolarHBondContact O-CD 3.25Å; P31-K34 PolarHBondContact O-N 3.46Å; P31-A35 WeakPolarHBondContact O-CB 3.09Å; P31-A35 PolarHBondContact O-N 3.44Å
32M87.7Confident89.2Confident7 Ų770.1 Ų70.13%0.03435%0.348CS..Hα-helixtrans-66.3-48-179.8-168.8-175-54.900111.7L24 I27 D28 E29 V30 K34 A35 I36 M185 T188L24-M32 HydrophobicContact CD1-CE 4.41Å; L24-M32 HydrophobicContact CD1-CG 3.84Å; L24-M32 HydrophobicContact CD1-SD 4.24Å; L24-M32 HydrophobicContact CD2-CB 4.33Å; L24-M32 HydrophobicContact CD2-CG 3.74Å; L24-M32 HydrophobicContact CG-CG 4.44Å; I27-M32 HydrophobicContact CB-CE 4.14Å; I27-M32 VanDerWaalsContact O-CE 3.32Å; I27-M32 WeakPolarHBondContact O-CE 3.42Å; D28-M32 WeakPolarHBondContact O-CB 3.23Å; D28-M32 PolarHBondContact O-N 3.43Å; E29-M32 PolarHBondContact O-N 3.26Å; V30-M32 VanDerWaalsContact C-N 3.29Å; V30-M32 PolarHBondContact O-N 3.38Å; M32-K34 VanDerWaalsContact C-N 3.31Å; M32-K34 PolarHBondContact O-N 2.92Å; M32-A35 PolarHBondContact O-N 3.07Å; M32-I36 HydrophobicContact CG-CD1 4.13Å; M32-I36 WeakPolarHBondContact O-CG1 3.41Å; M32-I36 PolarHBondContact O-N 2.88Å; M32-M185 HydrophobicContact CB-CE 4.45Å; M32-M185 HydrophobicContact CG-CE 3.66Å; M32-M185 HydrophobicContact SD-CE 3.2Å; M32-M185 WeakPolarHBondContact SD-CE 3.11Å; M32-T188 HydrophobicContact CE-CG2 4.01Å
33Q89.9Confident89.5Confident61 Ų6170.4 Ų70.429%0.28535%0.349SS..Hα-helixtrans-57.6-44175.1-72.4176.1-1.900111.3E29 A35 I36 S37 L182E29-Q33 WeakPolarHBondContact O-CG 3.45Å; E29-Q33 PolarHBondContact O-N 3.16Å; E29-Q33 PolarHBondContact OE1-NE2 3.37Å; Q33-A35 PolarHBondContact O-N 3.4Å; Q33-I36 PolarHBondContact O-N 3.32Å; Q33-S37 PolarHBondContact O-N 3.42Å; Q33-S37 PolarHBondContact O-OG 2.86Å; Q33-L182 HydrophobicContact CB-CD2 3.85Å; Q33-L182 HydrophobicContact CG-CD2 3.9Å
34K91.4Very high89.9Confident128 Ų12865.9 Ų65.956%0.55733%0.327SS*.Hα-helixtrans-62.1-41.2176-75.1179.3179.9-179.90113V30 P31 M32 R38V30-K34 HydrophobicContact CG1-CD 4.42Å; V30-K34 WeakPolarHBondContact O-CG 3.49Å; V30-K34 PolarHBondContact O-N 2.95Å; V30-K34 VanDerWaalsContact O-N 3.09Å; P31-K34 PolarHBondContact O-N 3.46Å; M32-K34 VanDerWaalsContact C-N 3.31Å; M32-K34 PolarHBondContact O-N 2.92Å; K34-R38 VanDerWaalsContact O-CG 3.32Å; K34-R38 WeakPolarHBondContact O-CG 3.3Å; K34-R38 PolarHBondContact O-N 3.25Å; K34-R38 VanDerWaalsContact O-N 3.07Å
35A91.6Very high90.3Very high19 Ų1970.7 Ų70.716%0.15735%0.352CS..Hα-helixtrans-64.4-42.7177.700000111L24 P31 M32 Q33 R38 T39L24-A35 HydrophobicContact CD2-CB 3.59Å; P31-A35 WeakPolarHBondContact O-CB 3.09Å; P31-A35 PolarHBondContact O-N 3.44Å; M32-A35 PolarHBondContact O-N 3.07Å; Q33-A35 PolarHBondContact O-N 3.4Å; A35-R38 PolarHBondContact O-N 3.01Å; A35-T39 PolarHBondContact O-N 3.34Å; A35-T39 PolarHBondContact O-OG1 3.32Å
36I92.4Very high90.9Very high0 Ų069.8 Ų69.80%035%0.345CS..Hα-helixtrans-63.1-47.8176.8-70.5168000111M32 Q33 R38 T39 F40 L141 T181 L182 M185M32-I36 HydrophobicContact CG-CD1 4.13Å; M32-I36 WeakPolarHBondContact O-CG1 3.41Å; M32-I36 PolarHBondContact O-N 2.88Å; Q33-I36 PolarHBondContact O-N 3.32Å; I36-R38 VanDerWaalsContact C-N 3.3Å; I36-R38 PolarHBondContact O-N 3.03Å; I36-T39 WeakPolarHBondContact O-CA 3.49Å; I36-T39 WeakPolarHBondContact O-CB 3.31Å; I36-T39 PolarHBondContact O-N 2.97Å; I36-F40 HydrophobicContact CG2-CD2 3.69Å; I36-F40 HydrophobicContact CG2-CE2 3.7Å; I36-F40 WeakPolarHBondContact O-CD2 3.22Å; I36-F40 PolarHBondContact O-N 3Å; I36-L141 HydrophobicContact CD1-CD2 4.08Å; I36-L141 HydrophobicContact CG1-CD2 4.31Å; I36-T181 HydrophobicContact CG2-CG2 3.88Å; I36-L182 HydrophobicContact CB-CD2 4.41Å; I36-L182 HydrophobicContact CG2-CD2 4.15Å; I36-M185 HydrophobicContact CD1-CE 3.35Å; I36-M185 HydrophobicContact CD1-SD 3.25Å; I36-M185 WeakPolarHBondContact CD1-SD 3.47Å
37S95.1Very high91.6Very high34 Ų3461.8 Ų61.824%0.23832%0.315CS..Hα-helixtrans-57.3-41.2176.3-74.90000112.8Q33 F40 E41 E178Q33-S37 PolarHBondContact O-N 3.42Å; Q33-S37 PolarHBondContact O-OG 2.86Å; S37-F40 PolarHBondContact O-N 2.92Å; S37-E41 WeakPolarHBondContact O-CB 3.48Å; S37-E41 PolarHBondContact O-N 2.9Å; S37-E178 VanDerWaalsContact CA-OE1 3.22Å; S37-E178 WeakPolarHBondContact CA-OE1 3.45Å; S37-E178 WeakPolarHBondContact CB-OE1 3.31Å; S37-E178 PolarHBondContact OG-OE1 3.23Å
38R95.8Very high92.2Very high179 Ų17963 Ų6368%0.67532%0.317SS*.Hα-helixtrans-63.8-39.3174-73172.5-178.9176.5-0.5112.2K34 A35 I36 E41 A42K34-R38 VanDerWaalsContact O-CG 3.32Å; K34-R38 WeakPolarHBondContact O-CG 3.3Å; K34-R38 PolarHBondContact O-N 3.25Å; K34-R38 VanDerWaalsContact O-N 3.07Å; A35-R38 PolarHBondContact O-N 3.01Å; I36-R38 VanDerWaalsContact C-N 3.3Å; I36-R38 PolarHBondContact O-N 3.03Å; R38-E41 WeakPolarHBondContact O-CB 3.46Å; R38-E41 PolarHBondContact O-N 3.34Å; R38-A42 PolarHBondContact O-N 3.31Å
39T95.3Very high92.7Very high24 Ų2460.3 Ų60.315%0.14731%0.305CS..Hα-helixtrans-64.9-42.6175.5-51.40000111.2L20 K21 C22 A35 I36 E41 A42 L43L20-T39 HydrophobicContact CD1-CG2 3.49Å; L20-T39 VanDerWaalsContact CD1-CG2 3.49Å; L20-T39 HydrophobicContact CG-CG2 4.26Å; K21-T39 WeakPolarHBondContact O-CG2 3.32Å; C22-T39 HydrophobicContact CB-CG2 4.36Å; C22-T39 WeakPolarHBondContact CB-OG1 3.44Å; C22-T39 PolarHBondContact SG-OG1 3.5Å; A35-T39 PolarHBondContact O-N 3.34Å; A35-T39 PolarHBondContact O-OG1 3.32Å; I36-T39 WeakPolarHBondContact O-CA 3.49Å; I36-T39 WeakPolarHBondContact O-CB 3.31Å; I36-T39 PolarHBondContact O-N 2.97Å; T39-E41 VanDerWaalsContact C-N 3.33Å; T39-E41 PolarHBondContact O-N 3.38Å; T39-A42 WeakPolarHBondContact O-CB 3.43Å; T39-A42 PolarHBondContact O-N 2.98Å; T39-L43 WeakPolarHBondContact O-CG 3.44Å; T39-L43 PolarHBondContact O-N 3.21Å
40F96.4Very high93.1Very high0 Ų059.7 Ų59.70%030%0.302CS..Hα-helixtrans-64.2-36.3174-87.2-79.1000112.8L20 I36 S37 L43 R44 L145 M177 E178 T181L20-F40 HydrophobicContact CD1-CD2 4.17Å; L20-F40 HydrophobicContact CD1-CE2 4Å; L20-F40 HydrophobicContact CD1-CZ 4.26Å; L20-F40 HydrophobicContact CD2-CE2 4.29Å; L20-F40 HydrophobicContact CD2-CZ 4.47Å; I36-F40 HydrophobicContact CG2-CD2 3.69Å; I36-F40 HydrophobicContact CG2-CE2 3.7Å; I36-F40 WeakPolarHBondContact O-CD2 3.22Å; I36-F40 PolarHBondContact O-N 3Å; S37-F40 PolarHBondContact O-N 2.92Å; F40-L43 HydrophobicContact CD1-CD1 4.47Å; F40-L43 PolarHBondContact O-N 3.01Å; F40-R44 WeakPolarHBondContact O-CG 3.36Å; F40-R44 PolarHBondContact O-N 2.64Å; F40-L145 HydrophobicContact CE1-CD1 3.74Å; F40-L145 HydrophobicContact CZ-CD1 4.13Å; F40-M177 HydrophobicContact CE1-CB 3.83Å; F40-M177 HydrophobicContact CZ-CB 4.31Å; F40-E178 HydrophobicContact CB-CB 4.08Å; F40-E178 HydrophobicContact CB-CG 4.05Å; F40-E178 HydrophobicContact CD1-CB 3.88Å; F40-E178 HydrophobicContact CD2-CB 3.89Å; F40-E178 HydrophobicContact CD2-CG 3.87Å; F40-E178 HydrophobicContact CE1-CB 4.26Å; F40-E178 HydrophobicContact CE2-CB 4.27Å; F40-E178 HydrophobicContact CE2-CG 4.5Å; F40-E178 HydrophobicContact CG-CB 3.69Å; F40-E178 HydrophobicContact CG-CG 3.95Å; F40-E178 HydrophobicContact CZ-CB 4.44Å; F40-T181 HydrophobicContact CE2-CG2 4.03Å
41E96.9Very high93.3Very high109 Ų10956.7 Ų56.751%0.50929%0.285SS..Hα-helixtrans-61.5-44.7172.4-172.4178.1-171.100111.7S37 R38 T39 L43 R44 L45S37-E41 WeakPolarHBondContact O-CB 3.48Å; S37-E41 PolarHBondContact O-N 2.9Å; R38-E41 WeakPolarHBondContact O-CB 3.46Å; R38-E41 PolarHBondContact O-N 3.34Å; T39-E41 VanDerWaalsContact C-N 3.33Å; T39-E41 PolarHBondContact O-N 3.38Å; E41-L43 PolarHBondContact O-N 2.79Å; E41-R44 PolarHBondContact O-N 2.89Å; E41-L45 WeakPolarHBondContact O-CG 3.33Å; E41-L45 PolarHBondContact O-N 2.98Å
42A95.6Very high93.6Very high56 Ų5654.2 Ų54.246%0.46327%0.269SS..Hα-helixtrans-61.2-41.7174.700000112.3R38 T39 R44 L45 Q46R38-A42 PolarHBondContact O-N 3.31Å; T39-A42 WeakPolarHBondContact O-CB 3.43Å; T39-A42 PolarHBondContact O-N 2.98Å; A42-R44 PolarHBondContact O-N 3.35Å; A42-L45 PolarHBondContact O-N 2.97Å; A42-Q46 WeakPolarHBondContact O-CB 3.43Å; A42-Q46 PolarHBondContact O-N 3.08Å
43L95.8Very high93.9Very high7 Ų754.3 Ų54.34%0.03727%0.27CS..Hα-helixtrans-62.3-40.6175-70.8176.3000112.2L20 T39 F40 E41 Q46 V47 L145 L174L20-L43 HydrophobicContact CD1-CD1 3.7Å; T39-L43 WeakPolarHBondContact O-CG 3.44Å; T39-L43 PolarHBondContact O-N 3.21Å; F40-L43 HydrophobicContact CD1-CD1 4.47Å; F40-L43 PolarHBondContact O-N 3.01Å; E41-L43 PolarHBondContact O-N 2.79Å; L43-Q46 WeakPolarHBondContact O-CB 3.13Å; L43-Q46 PolarHBondContact O-N 3.38Å; L43-V47 PolarHBondContact O-N 3.46Å; L43-L145 HydrophobicContact CD1-CD1 3.73Å; L43-L174 HydrophobicContact CB-CD1 4.48Å; L43-L174 HydrophobicContact CB-CD2 4.48Å
44R96.6Very high94.1Very high23 Ų2351.4 Ų51.49%0.08726%0.256CS..Hα-helixtrans-63.2-41.2174.4-74.6-177.6-70.9-94.27.1112F40 E41 A42 Q46 V47 K48 L174 F175 E178F40-R44 WeakPolarHBondContact O-CG 3.36Å; F40-R44 PolarHBondContact O-N 2.64Å; E41-R44 PolarHBondContact O-N 2.89Å; A42-R44 PolarHBondContact O-N 3.35Å; R44-Q46 VanDerWaalsContact C-N 3.33Å; R44-V47 PolarHBondContact O-N 3.33Å; R44-K48 WeakPolarHBondContact O-CG 3.42Å; R44-K48 PolarHBondContact O-N 2.66Å; R44-K48 VanDerWaalsContact O-N 3.09Å; R44-L174 HydrophobicContact CB-CD1 4.47Å; R44-L174 HydrophobicContact CG-CB 3.86Å; R44-L174 HydrophobicContact CG-CD1 3.83Å; R44-F175 VanDerWaalsContact CD-CZ 3.44Å; R44-E178 IonicContact CZ-OE2 3.77Å; R44-E178 VanDerWaalsContact CZ-OE2 3.23Å; R44-E178 IonicContact NH1-OE2 3.5Å; R44-E178 PolarHBondContact NH1-OE2 2.84Å; R44-E178 IonicContact NH2-OE2 3.55Å; R44-E178 PolarHBondContact NH2-OE2 3.35Å
45L95.3Very high94.3Very high112 Ų11245.7 Ų45.759%0.58623%0.233SC*.Hα-helixtrans-65.8-37.7175.2-69.8172.4000111.6E41 A42 K48 S49E41-L45 WeakPolarHBondContact O-CG 3.33Å; E41-L45 PolarHBondContact O-N 2.98Å; A42-L45 PolarHBondContact O-N 2.97Å; L45-K48 CarbonylContact O-C 3.57Å; L45-K48 PolarHBondContact O-N 3.25Å; L45-S49 PolarHBondContact O-N 3.49Å
46Q93.3Very high94.3Very high76 Ų7645 Ų4536%0.35523%0.226SC..Hα-helixtrans-61-47.8175.7-179.1179.6-9.600111.4A42 L43 R44 K48 S49 M118A42-Q46 WeakPolarHBondContact O-CB 3.43Å; A42-Q46 PolarHBondContact O-N 3.08Å; L43-Q46 WeakPolarHBondContact O-CB 3.13Å; L43-Q46 PolarHBondContact O-N 3.38Å; R44-Q46 VanDerWaalsContact C-N 3.33Å; Q46-K48 VanDerWaalsContact C-N 3.3Å; Q46-K48 PolarHBondContact O-N 3.33Å; Q46-S49 VanDerWaalsContact O-CB 3.27Å; Q46-S49 WeakPolarHBondContact O-CB 3.48Å; Q46-S49 PolarHBondContact O-N 2.97Å; Q46-S49 VanDerWaalsContact O-N 3.11Å; Q46-S49 PolarHBondContact O-OG 3.25Å; Q46-M118 HydrophobicContact CG-CE 3.5Å; Q46-M118 VanDerWaalsContact CG-CE 3.5Å; Q46-M118 HydrophobicContact CG-SD 4.02Å
47V93.4Very high94.3Very high0 Ų046.6 Ų46.60%024%0.238CC..Hα-helixtrans-64.1-33.7176.6166.40000112.5L18 L43 R44 S49 C52 N66 M167 L170 L174L18-V47 HydrophobicContact CD1-CG2 3.92Å; L43-V47 PolarHBondContact O-N 3.46Å; R44-V47 PolarHBondContact O-N 3.33Å; V47-S49 VanDerWaalsContact C-N 3.26Å; V47-S49 PolarHBondContact O-N 2.85Å; V47-C52 VanDerWaalsContact O-CB 3.24Å; V47-C52 WeakPolarHBondContact O-CB 3.47Å; V47-N66 PolarHBondContact O-ND2 3.35Å; V47-M167 HydrophobicContact CG1-CE 3.6Å; V47-M167 VanDerWaalsContact O-CE 3.27Å; V47-M167 WeakPolarHBondContact O-CE 3.25Å; V47-L170 HydrophobicContact CB-CD2 4.36Å; V47-L170 HydrophobicContact CG1-CD2 3.26Å; V47-L170 HydrophobicContact CG1-CG 3.81Å; V47-L170 HydrophobicContact CG2-CD2 4.14Å; V47-L170 HydrophobicContact CG2-CG 4.49Å; V47-L174 HydrophobicContact CB-CD1 4.48Å; V47-L174 HydrophobicContact CG2-CD1 4Å
48K93.7Very high94.1Very high119 Ų11949.8 Ų49.852%0.51725%0.252SS..THydrogen-bonded Turntrans-80.1-5.4175.8-70.9178.4178.6-175.40113.7R44 L45 Q46 N66R44-K48 WeakPolarHBondContact O-CG 3.42Å; R44-K48 PolarHBondContact O-N 2.66Å; R44-K48 VanDerWaalsContact O-N 3.09Å; L45-K48 CarbonylContact O-C 3.57Å; L45-K48 PolarHBondContact O-N 3.25Å; Q46-K48 VanDerWaalsContact C-N 3.3Å; Q46-K48 PolarHBondContact O-N 3.33Å; K48-N66 VanDerWaalsContact C-ND2 3.3Å; K48-N66 PolarHBondContact O-ND2 2.89Å
49S92.9Very high93.8Very high36 Ų3642.4 Ų42.425%0.25223%0.228SC..SBendtrans-73.8156.1-179.877.10000111.5L45 Q46 V47 S51 C52 N66L45-S49 PolarHBondContact O-N 3.49Å; Q46-S49 VanDerWaalsContact O-CB 3.27Å; Q46-S49 WeakPolarHBondContact O-CB 3.48Å; Q46-S49 PolarHBondContact O-N 2.97Å; Q46-S49 VanDerWaalsContact O-N 3.11Å; Q46-S49 PolarHBondContact O-OG 3.25Å; V47-S49 VanDerWaalsContact C-N 3.26Å; V47-S49 PolarHBondContact O-N 2.85Å; S49-S51 PolarHBondContact O-N 3.39Å; S49-S51 VanDerWaalsContact O-N 3.08Å; S49-S51 PolarHBondContact OG-N 3.47Å; S49-C52 WeakPolarHBondContact O-CB 3.48Å; S49-C52 PolarHBondContact O-N 3.45Å; S49-C52 VanDerWaalsContact O-N 3.1Å; S49-N66 PolarHBondContact O-ND2 2.79Å
50E91.2Very high93.5Very high127 Ų12744.1 Ų44.159%0.59324%0.239SC*.THydrogen-bonded Turntrans-59.6-14.2171.4-80.1-173.4-161.200114.1K67E50-K67 HydrophobicContact CB-CD 4.41Å; E50-K67 HydrophobicContact CB-CG 3.97Å; E50-K67 HydrophobicContact CG-CG 3.83Å; E50-K67 WeakPolarHBondContact O-CE 3.26Å
51S90.8Very high93.2Very high21 Ų2144.2 Ų44.215%0.14724%0.24CC..THydrogen-bonded Turntrans-85.4-5.3177-59.30000113.6S49 M118 E119S49-S51 PolarHBondContact O-N 3.39Å; S49-S51 VanDerWaalsContact O-N 3.08Å; S49-S51 PolarHBondContact OG-N 3.47Å; S51-M118 CarbonylContact O-C 3.59Å; S51-M118 WeakPolarHBondContact O-CA 3.38Å; S51-E119 PolarHBondContact O-N 3.14Å
52C93.5Very high93Very high0 Ų041.5 Ų41.50%023%0.228CC..EExtended strand (participates in β ladder)trans-72.8130.5175.5-174.20000110.3V47 S49 M118V47-C52 VanDerWaalsContact O-CB 3.24Å; V47-C52 WeakPolarHBondContact O-CB 3.47Å; S49-C52 WeakPolarHBondContact O-CB 3.48Å; S49-C52 PolarHBondContact O-N 3.45Å; S49-C52 VanDerWaalsContact O-N 3.1Å; C52-M118 HydrophobicContact CB-SD 4.31Å
53V94.6Very high92.8Very high9 Ų938.9 Ų38.96%0.05521%0.207CC..EExtended strand (participates in β ladder)trans-128.4137-178.8-172.30000109.6L62 I63 W64 M117V53-L62 HydrophobicContact CG1-CB 4.39Å; V53-L62 HydrophobicContact CG1-CD2 4.18Å; V53-I63 CarbonylContact C-O 3.59Å; V53-I63 WeakPolarHBondContact CA-O 3.44Å; V53-W64 HydrophobicContact CG1-CD2 4.47Å; V53-W64 HydrophobicContact CG1-CZ2 4.45Å; V53-W64 HydrophobicContact CG2-CD2 4.25Å; V53-W64 HydrophobicContact CG2-CG 4.28Å; V53-W64 HydrophobicContact CG2-CZ2 4.15Å; V53-W64 VanDerWaalsContact CG2-NE1 3.3Å; V53-M117 HydrophobicContact CB-CB 4.18Å; V53-M117 PolarHBondContact N-O 3.27Å; V53-M117 PolarHBondContact O-N 3.28Å
54L95.2Very high92.7Very high0 Ų040.1 Ų40.10%021%0.211CC..EExtended strand (participates in β ladder)trans-108.2116.6169.9-43.8178.1000107.5L14 I63 P65 L114 L116 M167L14-L54 HydrophobicContact CD1-CD2 3.73Å; L14-L54 HydrophobicContact CD2-CD2 3.77Å; L14-L54 HydrophobicContact CG-CD2 4.42Å; L54-I63 HydrophobicContact CB-CB 4.27Å; L54-I63 PolarHBondContact N-O 3.25Å; L54-I63 PolarHBondContact O-N 2.96Å; L54-P65 HydrophobicContact CD1-CB 4.3Å; L54-P65 HydrophobicContact CD1-CG 4.01Å; L54-P65 HydrophobicContact CG-CG 3.97Å; L54-L114 HydrophobicContact CB-CD2 3.97Å; L54-L116 HydrophobicContact CD2-CD1 4.23Å; L54-M167 HydrophobicContact CD1-SD 4.38Å; L54-M167 HydrophobicContact CD2-SD 4.2Å
55A94.6Very high92.4Very high9 Ų939.9 Ų39.97%0.07421%0.213CC..EExtended strand (participates in β ladder)trans-100.8126.8176.800000109.7C57 L62 L114 S115 M117A55-C57 PolarHBondContact O-N 2.91Å; A55-L62 HydrophobicContact CB-CD2 3.58Å; A55-L114 CarbonylContact O-C 3.59Å; A55-L114 VanDerWaalsContact O-CA 3.23Å; A55-L114 WeakPolarHBondContact O-CA 3.43Å; A55-S115 PolarHBondContact N-O 2.99Å; A55-S115 PolarHBondContact O-N 3.33Å; A55-M117 HydrophobicContact CB-CE 3.92Å; A55-M117 HydrophobicContact CB-SD 3.87Å
56V92.9Very high92.1Very high3 Ų337.4 Ų37.42%0.01820%0.2CC..EExtended strand (participates in β ladder)trans-73125.8174.4179.20000108.6S59 V61 I63 I82 I86 I112 L114V56-S59 PolarHBondContact O-N 3.21Å; V56-V61 HydrophobicContact CB-CB 4.05Å; V56-V61 HydrophobicContact CB-CG1 4.3Å; V56-V61 HydrophobicContact CG2-CB 3.95Å; V56-V61 HydrophobicContact CG2-CG1 3.63Å; V56-V61 PolarHBondContact N-O 2.89Å; V56-I63 HydrophobicContact CG2-CD1 4.5Å; V56-I82 HydrophobicContact CG1-CG2 3.88Å; V56-I82 HydrophobicContact CG2-CG2 4.25Å; V56-I86 HydrophobicContact CG1-CD1 4.28Å; V56-I86 HydrophobicContact CG1-CG1 4.08Å; V56-I112 HydrophobicContact CG1-CG2 4.14Å; V56-L114 HydrophobicContact CG2-CD2 4.3Å
57C91.6Very high91.9Very high35 Ų3537.5 Ų37.524%0.23620%0.199CC..THydrogen-bonded Turntrans-64.9143.1-178.3-630000111A55 S59 N113 S115A55-C57 PolarHBondContact O-N 2.91Å; C57-S59 PolarHBondContact O-N 3.03Å; C57-N113 HydrophobicContact CB-CB 3.91Å; C57-N113 WeakPolarHBondContact CB-O 3.13Å; C57-N113 PolarHBondContact N-O 3.2Å; C57-N113 PolarHBondContact SG-O 3.47Å; C57-S115 PolarHBondContact SG-OG 3.04Å
58N90.7Very high91.5Very high100 Ų10040.8 Ų40.854%0.53522%0.222SC..THydrogen-bonded Turntrans57.231-177.7-53.9-14.6000113.1I86 Q87N58-I86 HydrophobicContact CB-CG2 4.26Å; N58-Q87 PolarHBondContact O-N 2.99Å
59S90.5Very high91.1Very high24 Ų2438.3 Ų38.317%0.16822%0.217CC..SBendtrans-146.3150.3-178.9-172.40000110.2V56 C57 V61 F85V56-S59 PolarHBondContact O-N 3.21Å; C57-S59 PolarHBondContact O-N 3.03Å; S59-V61 PolarHBondContact O-N 3.34Å; S59-V61 VanDerWaalsContact OG-CG2 3.25Å; S59-V61 WeakPolarHBondContact OG-CG2 3.11Å; S59-V61 PolarHBondContact OG-N 3.45Å; S59-F85 VanDerWaalsContact CB-O 3.28Å; S59-F85 WeakPolarHBondContact CB-O 3.36Å; S59-F85 WeakPolarHBondContact OG-CB 3.47Å; S59-F85 PolarHBondContact OG-O 2.68Å
60P87.9Confident90.8Very high61 Ų6137.9 Ų37.940%0.39621%0.211SC..SBendtrans-70.1-9.4169.829.4-38.1000114L62 E72P60-L62 PolarHBondContact O-N 2.91Å; P60-E72 WeakPolarHBondContact CG-OE2 3.43Å
61V90.5Very high90.3Very high1 Ų136 Ų361%0.00620%0.202CC..  trans-67.1123.8-171.7171.40000112.1V56 S59 I63 I73 F85V56-V61 HydrophobicContact CB-CB 4.05Å; V56-V61 HydrophobicContact CB-CG1 4.3Å; V56-V61 HydrophobicContact CG2-CB 3.95Å; V56-V61 HydrophobicContact CG2-CG1 3.63Å; V56-V61 PolarHBondContact N-O 2.89Å; S59-V61 PolarHBondContact O-N 3.34Å; S59-V61 VanDerWaalsContact OG-CG2 3.25Å; S59-V61 WeakPolarHBondContact OG-CG2 3.11Å; S59-V61 PolarHBondContact OG-N 3.45Å; V61-I63 HydrophobicContact CG1-CD1 4.37Å; V61-I63 HydrophobicContact CG1-CG1 4.13Å; V61-I73 HydrophobicContact CB-CD1 4.02Å; V61-I73 HydrophobicContact CB-CG1 4.42Å; V61-I73 HydrophobicContact CG1-CD1 3.29Å; V61-I73 HydrophobicContact CG1-CG1 3.8Å; V61-I73 HydrophobicContact CG2-CD1 3.54Å; V61-I73 HydrophobicContact CG2-CG1 3.75Å; V61-F85 HydrophobicContact CG2-CB 3.81Å; V61-F85 HydrophobicContact CG2-CD1 4.36Å; V61-F85 HydrophobicContact CG2-CG 4.04Å
62L92Very high89.7Confident52 Ų5240.5 Ų40.527%0.27222%0.22SC..EExtended strand (participates in β ladder)trans-120.1136.4173.6-63174.1000110.9V53 A55 P60 W64 E71V53-L62 HydrophobicContact CG1-CB 4.39Å; V53-L62 HydrophobicContact CG1-CD2 4.18Å; A55-L62 HydrophobicContact CB-CD2 3.58Å; P60-L62 PolarHBondContact O-N 2.91Å; L62-W64 HydrophobicContact CB-CE3 4.4Å; L62-W64 HydrophobicContact CB-CH2 3.93Å; L62-W64 HydrophobicContact CB-CZ3 3.58Å; L62-W64 HydrophobicContact CD1-CH2 3.99Å; L62-W64 HydrophobicContact CD1-CZ3 4.46Å; L62-E71 PolarHBondContact O-N 2.66Å
63I92.4Very high89.2Confident2 Ų241.3 Ų41.31%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-125.9122.7-177.6-56.5172.8000108.8V53 L54 V56 V61 P65 F70 I159V53-I63 CarbonylContact C-O 3.59Å; V53-I63 WeakPolarHBondContact CA-O 3.44Å; L54-I63 HydrophobicContact CB-CB 4.27Å; L54-I63 PolarHBondContact N-O 3.25Å; L54-I63 PolarHBondContact O-N 2.96Å; V56-I63 HydrophobicContact CG2-CD1 4.5Å; V61-I63 HydrophobicContact CG1-CD1 4.37Å; V61-I63 HydrophobicContact CG1-CG1 4.13Å; I63-P65 WeakPolarHBondContact O-CD 3.45Å; I63-F70 HydrophobicContact CB-CD1 4.27Å; I63-F70 HydrophobicContact CB-CE1 4.48Å; I63-F70 HydrophobicContact CD1-CD1 4.14Å; I63-F70 HydrophobicContact CD1-CE1 4.32Å; I63-F70 HydrophobicContact CG1-CD1 3.88Å; I63-F70 HydrophobicContact CG1-CE1 4.37Å; I63-F70 HydrophobicContact CG2-CD1 3.56Å; I63-F70 HydrophobicContact CG2-CE1 3.38Å; I63-F70 HydrophobicContact CG2-CG 4.27Å; I63-F70 HydrophobicContact CG2-CZ 4Å; I63-I159 HydrophobicContact CD1-CG2 4.39Å
64W93.4Very high88.6Confident32 Ų3245.2 Ų45.212%0.12125%0.249CC..EExtended strand (participates in β ladder)trans-98.987.8167-73.7-102.1000108.6V53 L62 N66 K67 S68 V69 E71V53-W64 HydrophobicContact CG1-CD2 4.47Å; V53-W64 HydrophobicContact CG1-CZ2 4.45Å; V53-W64 HydrophobicContact CG2-CD2 4.25Å; V53-W64 HydrophobicContact CG2-CG 4.28Å; V53-W64 HydrophobicContact CG2-CZ2 4.15Å; V53-W64 VanDerWaalsContact CG2-NE1 3.3Å; L62-W64 HydrophobicContact CB-CE3 4.4Å; L62-W64 HydrophobicContact CB-CH2 3.93Å; L62-W64 HydrophobicContact CB-CZ3 3.58Å; L62-W64 HydrophobicContact CD1-CH2 3.99Å; L62-W64 HydrophobicContact CD1-CZ3 4.46Å; W64-N66 PolarHBondContact O-N 3.33Å; W64-K67 HydrophobicContact CB-CB 3.97Å; W64-K67 HydrophobicContact CB-CD 4.27Å; W64-K67 HydrophobicContact CB-CG 4.31Å; W64-K67 HydrophobicContact CG-CD 4.31Å; W64-K67 PolarHBondContact O-N 3.39Å; W64-K67 VanDerWaalsContact O-N 3.07Å; W64-S68 PolarHBondContact O-N 3.06Å; W64-V69 HydrophobicContact CB-CB 4.25Å; W64-V69 HydrophobicContact CE3-CG1 4.31Å; W64-V69 PolarHBondContact N-O 2.85Å; W64-V69 PolarHBondContact O-N 2.98Å; W64-E71 VanDerWaalsContact CZ3-CD 3.44Å; W64-E71 HydrophobicContact CZ3-CG 3.8Å
65P90.6Very high88Confident19 Ų1947 Ų4712%0.12326%0.26CS..G310 helixtrans-61.4-35.7-170.325.6-36.2000112L54 I63 S68 M167L54-P65 HydrophobicContact CD1-CB 4.3Å; L54-P65 HydrophobicContact CD1-CG 4.01Å; L54-P65 HydrophobicContact CG-CG 3.97Å; I63-P65 WeakPolarHBondContact O-CD 3.45Å; P65-S68 PolarHBondContact O-N 3.23Å; P65-M167 HydrophobicContact CB-CG 3.85Å; P65-M167 HydrophobicContact CB-SD 4.26Å; P65-M167 HydrophobicContact CG-CE 4.18Å; P65-M167 HydrophobicContact CG-CG 3.96Å; P65-M167 HydrophobicContact CG-SD 3.69Å
66N89.3Confident87.5Confident60 Ų6052.2 Ų52.232%0.32129%0.287SS..G310 helixtrans-79.6-16.8-178.1-58.6-38.8000113.4V47 K48 S49 W64V47-N66 PolarHBondContact O-ND2 3.35Å; K48-N66 VanDerWaalsContact C-ND2 3.3Å; K48-N66 PolarHBondContact O-ND2 2.89Å; S49-N66 PolarHBondContact O-ND2 2.79Å; W64-N66 PolarHBondContact O-N 3.33Å
67K88.1Confident86.9Confident77 Ų7752.7 Ų52.734%0.33529%0.291SS..G310 helixtrans-95.7-8.7171.4-65.4-178.7-177.6163.10112.6E50 W64 V69 E119E50-K67 HydrophobicContact CB-CD 4.41Å; E50-K67 HydrophobicContact CB-CG 3.97Å; E50-K67 HydrophobicContact CG-CG 3.83Å; E50-K67 WeakPolarHBondContact O-CE 3.26Å; W64-K67 HydrophobicContact CB-CB 3.97Å; W64-K67 HydrophobicContact CB-CD 4.27Å; W64-K67 HydrophobicContact CB-CG 4.31Å; W64-K67 HydrophobicContact CG-CD 4.31Å; W64-K67 PolarHBondContact O-N 3.39Å; W64-K67 VanDerWaalsContact O-N 3.07Å; K67-V69 HydrophobicContact CB-CB 4.3Å; K67-V69 HydrophobicContact CB-CG2 3.84Å; K67-V69 PolarHBondContact O-N 3.2Å; K67-E119 IonicContact NZ-OE2 3.51Å; K67-E119 PolarHBondContact NZ-OE2 2.84Å
68S84.8Confident86.4Confident70 Ų7054.1 Ų54.149%0.4930%0.3SS..THydrogen-bonded Turntrans52.935.8-166.9-59.70000113W64 P65W64-S68 PolarHBondContact O-N 3.06Å; P65-S68 PolarHBondContact O-N 3.23Å
69V85.1Confident85.6Confident67 Ų6749.8 Ų49.841%0.40628%0.277SS..EExtended strand (participates in β ladder)trans-104.9124.3175.9176.20000108.4W64 K67W64-V69 HydrophobicContact CB-CB 4.25Å; W64-V69 HydrophobicContact CE3-CG1 4.31Å; W64-V69 PolarHBondContact N-O 2.85Å; W64-V69 PolarHBondContact O-N 2.98Å; K67-V69 HydrophobicContact CB-CB 4.3Å; K67-V69 HydrophobicContact CB-CG2 3.84Å; K67-V69 PolarHBondContact O-N 3.2Å
70F86.3Confident84.8Confident26 Ų2652.8 Ų52.811%0.11429%0.288CS..EExtended strand (participates in β ladder)trans-125.1110.4-178.3-63.6-107.1000106.8I63 I73 P75 I159 K160I63-F70 HydrophobicContact CB-CD1 4.27Å; I63-F70 HydrophobicContact CB-CE1 4.48Å; I63-F70 HydrophobicContact CD1-CD1 4.14Å; I63-F70 HydrophobicContact CD1-CE1 4.32Å; I63-F70 HydrophobicContact CG1-CD1 3.88Å; I63-F70 HydrophobicContact CG1-CE1 4.37Å; I63-F70 HydrophobicContact CG2-CD1 3.56Å; I63-F70 HydrophobicContact CG2-CE1 3.38Å; I63-F70 HydrophobicContact CG2-CG 4.27Å; I63-F70 HydrophobicContact CG2-CZ 4Å; F70-I73 VanDerWaalsContact CB-O 3.31Å; F70-I73 WeakPolarHBondContact CB-O 3.23Å; F70-P75 HydrophobicContact CB-CG 4.34Å; F70-P75 HydrophobicContact CD2-CB 3.89Å; F70-P75 HydrophobicContact CD2-CG 3.49Å; F70-P75 VanDerWaalsContact CD2-CG 3.49Å; F70-P75 HydrophobicContact CE2-CB 3.83Å; F70-P75 HydrophobicContact CE2-CG 3.89Å; F70-P75 HydrophobicContact CG-CB 4.31Å; F70-P75 HydrophobicContact CG-CG 3.97Å; F70-P75 HydrophobicContact CZ-CB 4.22Å; F70-I159 HydrophobicContact CD1-CG2 3.99Å; F70-I159 HydrophobicContact CE1-CG2 3.79Å; F70-K160 HydrophobicContact CZ-CB 4.4Å
71E82.2Confident84.4Confident87 Ų8752.6 Ų52.641%0.40728%0.284SS..SBendtrans-80135.2176.8-72.3-176.7170.300109.3L62 W64 I73L62-E71 PolarHBondContact O-N 2.66Å; W64-E71 VanDerWaalsContact CZ3-CD 3.44Å; W64-E71 HydrophobicContact CZ3-CG 3.8Å; E71-I73 PolarHBondContact O-N 2.96Å
72E77.8Confident84Confident116 Ų11652.6 Ų52.654%0.54228%0.284SS..SBendtrans67.3-5.8177.3-49.7-171.1178.600116.7P60P60-E72 WeakPolarHBondContact CG-OE2 3.43Å
73I83.2Confident83.5Confident17 Ų1753.8 Ų53.89%0.08729%0.287CS..SBendtrans-134.4146.7178.8-30.3-176.4000113.2V61 F70 E71 I82 F85 I159V61-I73 HydrophobicContact CB-CD1 4.02Å; V61-I73 HydrophobicContact CB-CG1 4.42Å; V61-I73 HydrophobicContact CG1-CD1 3.29Å; V61-I73 HydrophobicContact CG1-CG1 3.8Å; V61-I73 HydrophobicContact CG2-CD1 3.54Å; V61-I73 HydrophobicContact CG2-CG1 3.75Å; F70-I73 VanDerWaalsContact CB-O 3.31Å; F70-I73 WeakPolarHBondContact CB-O 3.23Å; E71-I73 PolarHBondContact O-N 2.96Å; I73-I82 HydrophobicContact CD1-CD1 4.46Å; I73-I82 HydrophobicContact CD1-CG1 3.95Å; I73-F85 HydrophobicContact CD1-CD2 4.28Å; I73-F85 HydrophobicContact CD1-CE2 4.49Å; I73-F85 HydrophobicContact CG1-CD2 4.45Å; I73-F85 HydrophobicContact CG1-CE2 4.28Å; I73-F85 HydrophobicContact CG2-CE2 4.37Å; I73-I159 HydrophobicContact CB-CD1 4.34Å; I73-I159 HydrophobicContact CD1-CD1 4.45Å; I73-I159 HydrophobicContact CG2-CD1 3.43Å; I73-I159 VanDerWaalsContact CG2-CD1 3.43Å
74T82.2Confident82.9Confident91 Ų9160.8 Ų60.856%0.55832%0.319SS*.  trans-79.2128.8172.5-520000110.9D76 A77T74-D76 VanDerWaalsContact C-N 3.29Å; T74-D76 PolarHBondContact O-N 2.75Å; T74-A77 VanDerWaalsContact O-CB 3.26Å; T74-A77 WeakPolarHBondContact O-CB 3.41Å; T74-A77 PolarHBondContact O-N 3.37Å; T74-A77 VanDerWaalsContact O-N 3.12Å
75P81.2Confident82.2Confident38 Ų3862.3 Ų62.325%0.24733%0.327CS..THydrogen-bonded Turntrans-60.4-34.1-176.7-20.428.3000114.7F70 A77 I159 K160F70-P75 HydrophobicContact CB-CG 4.34Å; F70-P75 HydrophobicContact CD2-CB 3.89Å; F70-P75 HydrophobicContact CD2-CG 3.49Å; F70-P75 VanDerWaalsContact CD2-CG 3.49Å; F70-P75 HydrophobicContact CE2-CB 3.83Å; F70-P75 HydrophobicContact CE2-CG 3.89Å; F70-P75 HydrophobicContact CG-CB 4.31Å; F70-P75 HydrophobicContact CG-CG 3.97Å; F70-P75 HydrophobicContact CZ-CB 4.22Å; P75-A77 VanDerWaalsContact C-N 3.29Å; P75-I159 PolarHBondContact O-N 2.82Å; P75-K160 HydrophobicContact CB-CB 4.26Å; P75-K160 PolarHBondContact O-N 3.46Å
76D84.1Confident81.8Confident118 Ų11863.4 Ų63.463%0.63133%0.331SS*.THydrogen-bonded Turntrans-87.41.4-177.5-56.4-43.7000112.7T74T74-D76 VanDerWaalsContact C-N 3.29Å; T74-D76 PolarHBondContact O-N 2.75Å
77A81.5Confident81.1Confident14 Ų1467 Ų6712%0.11635%0.346CS..SBendtrans-68.3152.4175.600000110.9T74 P75 T158 I159T74-A77 VanDerWaalsContact O-CB 3.26Å; T74-A77 WeakPolarHBondContact O-CB 3.41Å; T74-A77 PolarHBondContact O-N 3.37Å; T74-A77 VanDerWaalsContact O-N 3.12Å; P75-A77 VanDerWaalsContact C-N 3.29Å; A77-T158 WeakPolarHBondContact O-CA 3.45Å; A77-I159 HydrophobicContact CB-CD1 4.11Å; A77-I159 WeakPolarHBondContact O-CG1 3.46Å; A77-I159 PolarHBondContact O-N 2.87Å
78P80.6Confident80Confident65 Ų6567.1 Ų67.142%0.42235%0.353SS..BIsolated β-bridgetrans-57.7142.8168-21.132.3000111.2E80 D81P78-E80 PolarHBondContact O-N 3.49Å; P78-E80 VanDerWaalsContact O-N 3.12Å; P78-D81 WeakPolarHBondContact O-CB 3.27Å; P78-D81 PolarHBondContact O-N 2.76Å
79F74.1Confident78.4Confident8 Ų870.2 Ų70.24%0.03537%0.365CS..G310 helixtrans-59.2-25.3177.4-95.4-71.9000114.7L12 D81 I82 I112 S153 D157 T158 I159 G162L12-F79 HydrophobicContact CD1-CD1 4.29Å; L12-F79 HydrophobicContact CD1-CE1 3.57Å; L12-F79 HydrophobicContact CD1-CE2 3.95Å; L12-F79 HydrophobicContact CD1-CZ 3.35Å; L12-F79 HydrophobicContact CD2-CD1 3.78Å; L12-F79 HydrophobicContact CD2-CE1 3.72Å; L12-F79 HydrophobicContact CD2-CG 4.47Å; L12-F79 HydrophobicContact CD2-CZ 4.34Å; L12-F79 HydrophobicContact CG-CE1 4.29Å; L12-F79 HydrophobicContact CG-CZ 4.45Å; F79-D81 PolarHBondContact O-N 3.01Å; F79-I82 HydrophobicContact CD1-CD1 3.64Å; F79-I82 HydrophobicContact CD1-CG1 4.42Å; F79-I82 HydrophobicContact CE1-CD1 3.94Å; F79-I82 WeakPolarHBondContact O-CB 3.4Å; F79-I82 PolarHBondContact O-N 2.67Å; F79-I82 VanDerWaalsContact O-N 3.16Å; F79-I112 HydrophobicContact CD1-CD1 4.49Å; F79-S153 WeakPolarHBondContact CD2-OG 2.9Å; F79-D157 HydrophobicContact CD2-CB 4.37Å; F79-T158 WeakPolarHBondContact CD2-O 3.3Å; F79-T158 VanDerWaalsContact CE2-C 3.46Å; F79-T158 WeakPolarHBondContact CE2-O 3.27Å; F79-I159 HydrophobicContact CD1-CB 4.38Å; F79-I159 HydrophobicContact CD1-CG1 3.88Å; F79-I159 HydrophobicContact CE1-CB 4.14Å; F79-I159 HydrophobicContact CE1-CG1 4.14Å; F79-I159 HydrophobicContact CE1-CG2 4.05Å; F79-I159 VanDerWaalsContact CE2-CA 3.46Å; F79-I159 HydrophobicContact CG-CG1 4.16Å; F79-I159 VanDerWaalsContact CZ-C 3.49Å; F79-I159 HydrophobicContact CZ-CB 4.33Å; F79-I159 HydrophobicContact CZ-CG2 4.43Å; F79-I159 WeakPolarHBondContact CZ-O 3.47Å; F79-G162 VanDerWaalsContact CE2-N 3.34Å
80E74.4Confident76.4Confident88 Ų8872.9 Ų72.941%0.41138%0.377SS..G310 helixtrans-61.8-24.2177.2-62.7-172.4168.800112.2S8 P78 I82 F83S8-E80 PolarHBondContact OG-OE1 3.27Å; P78-E80 PolarHBondContact O-N 3.49Å; P78-E80 VanDerWaalsContact O-N 3.12Å; E80-I82 PolarHBondContact O-N 3.34Å; E80-F83 HydrophobicContact CB-CD2 4.45Å; E80-F83 WeakPolarHBondContact O-CB 3.5Å; E80-F83 VanDerWaalsContact O-CD2 3.31Å; E80-F83 WeakPolarHBondContact O-CD2 3.34Å; E80-F83 PolarHBondContact O-N 3.41Å; E80-F83 VanDerWaalsContact O-N 3.15Å
81D79.5Confident74.2Confident56 Ų5679.6 Ų79.630%0.29941%0.408SS..G310 helixtrans-67.1-24.6178.3-71.7-11.8000112.4P78 F79 F83 Q84 F85P78-D81 WeakPolarHBondContact O-CB 3.27Å; P78-D81 PolarHBondContact O-N 2.76Å; F79-D81 PolarHBondContact O-N 3.01Å; D81-F83 PolarHBondContact O-N 3.5Å; D81-Q84 WeakPolarHBondContact O-CB 3.37Å; D81-Q84 WeakPolarHBondContact O-CG 3.35Å; D81-Q84 PolarHBondContact O-N 3.09Å; D81-Q84 VanDerWaalsContact O-N 3.1Å; D81-F85 WeakPolarHBondContact O-CD2 3.42Å
82I80.8Confident71.8Confident2 Ų284.2 Ų84.21%0.0143%0.43CS..G310 helixtrans-59.6-32.5175.2-59-169.8000110.8V56 I73 F79 E80 Q84 F85 I86 I112 I159V56-I82 HydrophobicContact CG1-CG2 3.88Å; V56-I82 HydrophobicContact CG2-CG2 4.25Å; I73-I82 HydrophobicContact CD1-CD1 4.46Å; I73-I82 HydrophobicContact CD1-CG1 3.95Å; F79-I82 HydrophobicContact CD1-CD1 3.64Å; F79-I82 HydrophobicContact CD1-CG1 4.42Å; F79-I82 HydrophobicContact CE1-CD1 3.94Å; F79-I82 WeakPolarHBondContact O-CB 3.4Å; F79-I82 PolarHBondContact O-N 2.67Å; F79-I82 VanDerWaalsContact O-N 3.16Å; E80-I82 PolarHBondContact O-N 3.34Å; I82-Q84 PolarHBondContact O-N 3.11Å; I82-Q84 VanDerWaalsContact O-N 3.1Å; I82-F85 PolarHBondContact O-N 3.24Å; I82-I86 HydrophobicContact CG2-CD1 4.28Å; I82-I86 HydrophobicContact CG2-CG1 4.43Å; I82-I112 HydrophobicContact CB-CD1 4Å; I82-I112 HydrophobicContact CD1-CD1 4.33Å; I82-I112 HydrophobicContact CG2-CD1 4.19Å; I82-I112 HydrophobicContact CG2-CG2 4.18Å; I82-I159 HydrophobicContact CD1-CD1 4.01Å; I82-I159 HydrophobicContact CD1-CG1 4.01Å; I82-I159 HydrophobicContact CD1-CG2 4.21Å; I82-I159 HydrophobicContact CG1-CD1 3.67Å; I82-I159 HydrophobicContact CG1-CG1 4.09Å
83F81.7Confident69.6Low77 Ų7784.8 Ų84.834%0.33844%0.441SS..G310 helixtrans-60.9-22.9179.8-68.9-65.9000113.2V10 E80 D81 F85 I86 I112V10-F83 HydrophobicContact CG1-CE2 4.47Å; V10-F83 HydrophobicContact CG1-CZ 4.24Å; V10-F83 HydrophobicContact CG2-CE2 4.22Å; E80-F83 HydrophobicContact CB-CD2 4.45Å; E80-F83 WeakPolarHBondContact O-CB 3.5Å; E80-F83 VanDerWaalsContact O-CD2 3.31Å; E80-F83 WeakPolarHBondContact O-CD2 3.34Å; E80-F83 PolarHBondContact O-N 3.41Å; E80-F83 VanDerWaalsContact O-N 3.15Å; D81-F83 PolarHBondContact O-N 3.5Å; F83-F85 PolarHBondContact O-N 3.21Å; F83-I86 HydrophobicContact CD1-CD1 4.06Å; F83-I86 HydrophobicContact CE1-CD1 4.49Å; F83-I112 HydrophobicContact CE1-CD1 4.37Å; F83-I112 HydrophobicContact CE1-CG1 3.76Å; F83-I112 HydrophobicContact CE2-CD1 4.22Å; F83-I112 HydrophobicContact CE2-CG1 4.4Å; F83-I112 HydrophobicContact CZ-CD1 3.95Å; F83-I112 HydrophobicContact CZ-CG1 3.64Å
84Q80.3Confident67Low149 Ų14988.6 Ų88.670%0.69647%0.47SS*.G310 helixtrans-69.7-22.9177-56.4-179.22300112.7D81 I82D81-Q84 WeakPolarHBondContact O-CB 3.37Å; D81-Q84 WeakPolarHBondContact O-CG 3.35Å; D81-Q84 PolarHBondContact O-N 3.09Å; D81-Q84 VanDerWaalsContact O-N 3.1Å; I82-Q84 PolarHBondContact O-N 3.11Å; I82-Q84 VanDerWaalsContact O-N 3.1Å
85F78.1Confident64.5Low64 Ų6488 Ų8828%0.28148%0.481SS..G310 helixtrans-99.7-5.8-176.7-59.1-87.8000113.5S59 V61 I73 D81 I82 F83S59-F85 VanDerWaalsContact CB-O 3.28Å; S59-F85 WeakPolarHBondContact CB-O 3.36Å; S59-F85 WeakPolarHBondContact OG-CB 3.47Å; S59-F85 PolarHBondContact OG-O 2.68Å; V61-F85 HydrophobicContact CG2-CB 3.81Å; V61-F85 HydrophobicContact CG2-CD1 4.36Å; V61-F85 HydrophobicContact CG2-CG 4.04Å; I73-F85 HydrophobicContact CD1-CD2 4.28Å; I73-F85 HydrophobicContact CD1-CE2 4.49Å; I73-F85 HydrophobicContact CG1-CD2 4.45Å; I73-F85 HydrophobicContact CG1-CE2 4.28Å; I73-F85 HydrophobicContact CG2-CE2 4.37Å; D81-F85 WeakPolarHBondContact O-CD2 3.42Å; I82-F85 PolarHBondContact O-N 3.24Å; F83-F85 PolarHBondContact O-N 3.21Å
86I81.7Confident62.1Low41 Ų4195.8 Ų95.821%0.2151%0.511CS..PPolyproline II helixtrans-86.2118.1179-61.3175.2000108.6V56 N58 I82 F83 T88V56-I86 HydrophobicContact CG1-CD1 4.28Å; V56-I86 HydrophobicContact CG1-CG1 4.08Å; N58-I86 HydrophobicContact CB-CG2 4.26Å; I82-I86 HydrophobicContact CG2-CD1 4.28Å; I82-I86 HydrophobicContact CG2-CG1 4.43Å; F83-I86 HydrophobicContact CD1-CD1 4.06Å; F83-I86 HydrophobicContact CE1-CD1 4.49Å; I86-T88 PolarHBondContact O-N 3.33Å
87Q74.9Confident59.4Low135 Ų13599.4 Ų99.463%0.63152%0.521SS*.PPolyproline II helixtrans-70.6127.9172.8-61.8178.93.700109.1N58N58-Q87 PolarHBondContact O-N 2.99Å
88T65.6Low57Low80 Ų80104.8 Ų104.849%0.49156%0.558SS.*PPolyproline II helixtrans-95129.9172.650.80000109.4I86 D90 Q91I86-T88 PolarHBondContact O-N 3.33Å; T88-D90 PolarHBondContact O-N 2.79Å; T88-Q91 PolarHBondContact O-N 3.2Å; T88-Q91 VanDerWaalsContact O-N 3.13Å
89D50.1Low54.4Low136 Ų136107.8 Ų107.873%0.72758%0.576SS**G310 helixtrans-57.3-13.1179.7-69-24.1000113.5Q91D89-Q91 PolarHBondContact O-N 3.38Å
90D44.5Very low52.2Low123 Ų123117.8 Ų117.866%0.65862%0.619SS**G310 helixtrans-66.5-12.4175-78.2-17.4000114.1T88T88-D90 PolarHBondContact O-N 2.79Å
91Q38.8Very low50Low166 Ų166122.9 Ų122.978%0.77664%0.64SS**G310 helixtrans-80.9-12.2-177.3-72.5-162.66.900115.3T88 D89T88-Q91 PolarHBondContact O-N 3.2Å; T88-Q91 VanDerWaalsContact O-N 3.13Å; D89-Q91 PolarHBondContact O-N 3.38Å
92E32.5Very low47.3Very low184 Ų184129.8 Ų129.886%0.8667%0.667SS**SBendtrans-97-8.2-176.7-70.9-158.8152.900115.7
93T30.6Very low44.8Very low128 Ų128137.3 Ų137.379%0.78571%0.707SS**SBendtrans-127.114.8-174.450.80000117.8
94S29.4Very low42.4Very low98 Ų98142.8 Ų142.869%0.68573%0.726SS**  trans-144.399.9169.666.80000115.1K96S94-K96 PolarHBondContact O-N 3.3Å
95G30Very low40.1Very low77 Ų77146.2 Ų146.279%0.79474%0.739SS**  trans-62.6120.2159.400000110.8
96K30.8Very low38Very low203 Ų203145.9 Ų145.988%0.88375%0.753SS**SBendtrans5998.6159.8-64.6177.2178.3174.20117.2S94S94-K96 PolarHBondContact O-N 3.3Å
97K26.7Very low36.1Very low194 Ų194148.6 Ų148.684%0.84377%0.771SS**  -178107.1113.6-98.9172.3-175.21790110.1T99K97-T99 PolarHBondContact O-N 3.07Å; K97-T99 VanDerWaalsContact O-N 3.08Å
98S31.5Very low35.3Very low127 Ų127146.4 Ų146.489%0.88877%0.77SS**  trans-62.2106.2169.156.80000110.1
99T26.4Very low35.6Very low128 Ų128144.2 Ų144.279%0.78576%0.757SS**  trans-112.4120.6162.67.40000107.6K97 K101K97-T99 PolarHBondContact O-N 3.07Å; K97-T99 VanDerWaalsContact O-N 3.08Å; T99-K101 PolarHBondContact O-N 3.33Å
100K28Very low37.3Very low217 Ų217139.8 Ų139.894%0.94374%0.737SS**  trans-47.3105.1175.5-92.7175.1167.7173.40109.7K102K100-K102 PolarHBondContact O-N 3.18Å; K100-K102 VanDerWaalsContact O-N 3.1Å
101K27.3Very low39.5Very low196 Ų196134.9 Ų134.985%0.85271%0.711SS**  trans-64.8109.2167.1-114.3175179.7173.10106.8T99 N103T99-K101 PolarHBondContact O-N 3.33Å; K101-N103 PolarHBondContact O-N 3.38Å
102K24.1Very low41.9Very low200 Ų200127 Ų12787%0.8767%0.674SS**  trans-63.7115.7175.2-159.8177.7-174-179.90106.9K100 R104K100-K102 PolarHBondContact O-N 3.18Å; K100-K102 VanDerWaalsContact O-N 3.1Å; K102-R104 PolarHBondContact O-N 3.09Å
103N27.4Very low44.9Very low161 Ų161119.8 Ų119.886%0.86164%0.641SS**  trans-50.2107.7175.6-91.2-4000109.6K101 K105K101-N103 PolarHBondContact O-N 3.38Å; N103-K105 PolarHBondContact O-N 3.03Å
104R32.5Very low47.9Very low192 Ų192114 Ų11473%0.72561%0.605SS**  trans-71.8117.7167.3-96.8-179.4169.8164.8-1.6106.4K102 G106K102-R104 PolarHBondContact O-N 3.09Å; R104-G106 VanDerWaalsContact C-N 3.34Å; R104-G106 PolarHBondContact O-N 3.46Å
105K30.5Very low51.2Low221 Ų221111.1 Ų111.196%0.96159%0.585SS**  trans-64.694.5169-78.3-178.6172.8-175.60108.4N103N103-K105 PolarHBondContact O-N 3.03Å
106G34.3Very low54.3Low56 Ų56108 Ų10858%0.57755%0.55SS**SBendtrans-144.4143.7164.100000107R104 S108R104-G106 VanDerWaalsContact C-N 3.34Å; R104-G106 PolarHBondContact O-N 3.46Å; G106-S108 PolarHBondContact O-N 3.29Å
107V42.3Very low57.3Low98 Ų98102.8 Ų102.859%0.59453%0.53SS*.  trans-66.294.8176.6-179.80000107.5
108S58.8Low60.4Low89 Ų8996.4 Ų96.462%0.62250%0.504SS*.  trans-93.499.5177.962.10000109.5G106 S110G106-S108 PolarHBondContact O-N 3.29Å; S108-S110 PolarHBondContact O-N 3.38Å
109T71.3Confident63.1Low35 Ų3593 Ų9322%0.21547%0.474CS..  trans-59.5122.1164.9-58.90000109A9 I11 W152A9-T109 WeakPolarHBondContact O-CA 3.29Å; I11-T109 HydrophobicContact CD1-CG2 3.59Å; I11-T109 HydrophobicContact CG1-CG2 3.74Å; T109-W152 HydrophobicContact CG2-CH2 3.56Å; T109-W152 HydrophobicContact CG2-CZ3 3.61Å
110S85.4Confident65.8Low42 Ų4292 Ų9229%0.29448%0.478SS..EExtended strand (participates in β ladder)trans-98.8146.9179.4-57.70000110.3A9 V10 I11 S108A9-S110 PolarHBondContact O-N 2.71Å; V10-S110 CarbonylContact C-O 3.51Å; V10-S110 WeakPolarHBondContact CA-O 3.42Å; I11-S110 PolarHBondContact N-O 3.39Å; S108-S110 PolarHBondContact O-N 3.38Å
111I90.1Very high68.1Low21 Ų2186.3 Ų86.311%0.10846%0.462CS..EExtended strand (participates in β ladder)trans-127.4124.8-172-53.6167.9000109.5I11 R13 F248 P249 N250I11-I111 HydrophobicContact CB-CG1 4.37Å; I11-I111 WeakPolarHBondContact O-CA 3.41Å; R13-I111 HydrophobicContact CB-CG2 4.47Å; I111-F248 HydrophobicContact CD1-CB 3.86Å; I111-F248 HydrophobicContact CD1-CD1 4.1Å; I111-F248 HydrophobicContact CD1-CG 4.48Å; I111-P249 HydrophobicContact CD1-CB 4.13Å; I111-P249 HydrophobicContact CD1-CG 4.14Å; I111-N250 HydrophobicContact CD1-CB 4.09Å; I111-N250 WeakPolarHBondContact CD1-OD1 3.47Å; I111-N250 WeakPolarHBondContact CG2-ND2 3.37Å
112I90.9Very high69.9Low1 Ų185.4 Ų85.41%0.00546%0.458CS..EExtended strand (participates in β ladder)trans-104.5114173.6-59174.6000107.4V10 I11 L12 R13 V56 F79 I82 F83 L114V10-I112 HydrophobicContact CG1-CD1 3.89Å; V10-I112 HydrophobicContact CG1-CG1 4.1Å; I11-I112 PolarHBondContact O-N 2.9Å; L12-I112 HydrophobicContact CD2-CB 3.95Å; L12-I112 HydrophobicContact CD2-CD1 3.9Å; L12-I112 HydrophobicContact CD2-CG1 4.35Å; R13-I112 PolarHBondContact N-O 3.49Å; V56-I112 HydrophobicContact CG1-CG2 4.14Å; F79-I112 HydrophobicContact CD1-CD1 4.49Å; I82-I112 HydrophobicContact CB-CD1 4Å; I82-I112 HydrophobicContact CD1-CD1 4.33Å; I82-I112 HydrophobicContact CG2-CD1 4.19Å; I82-I112 HydrophobicContact CG2-CG2 4.18Å; F83-I112 HydrophobicContact CE1-CD1 4.37Å; F83-I112 HydrophobicContact CE1-CG1 3.76Å; F83-I112 HydrophobicContact CE2-CD1 4.22Å; F83-I112 HydrophobicContact CE2-CG1 4.4Å; F83-I112 HydrophobicContact CZ-CD1 3.95Å; F83-I112 HydrophobicContact CZ-CG1 3.64Å; I112-L114 HydrophobicContact CG2-CD1 4.13Å; I112-L114 HydrophobicContact CG2-CG 4.47Å
113N94.1Very high71.7Confident32 Ų3281.9 Ų81.917%0.17146%0.456CS..EExtended strand (participates in β ladder)trans-85.7132.1174.8-66.4-64000109.5R13 C57 N250R13-N113 CarbonylContact O-C 3.57Å; R13-N113 WeakPolarHBondContact O-CA 3.34Å; C57-N113 HydrophobicContact CB-CB 3.91Å; C57-N113 WeakPolarHBondContact CB-O 3.13Å; C57-N113 PolarHBondContact N-O 3.2Å; C57-N113 PolarHBondContact SG-O 3.47Å; N113-N250 PolarHBondContact ND2-ND2 2.85Å
114L95.2Very high73.5Confident5 Ų577 Ų773%0.02644%0.443CS..EExtended strand (participates in β ladder)trans-120.3148.2172.4-57.997000109.9L12 R13 L14 R15 L54 A55 V56 I112 L166L12-L114 HydrophobicContact CB-CD1 4.23Å; R13-L114 PolarHBondContact O-N 3.43Å; L14-L114 CarbonylContact C-O 3.54Å; L14-L114 WeakPolarHBondContact CA-O 3.43Å; L14-L114 HydrophobicContact CB-CB 4.48Å; L14-L114 HydrophobicContact CD1-CB 3.69Å; R15-L114 PolarHBondContact N-O 3.46Å; L54-L114 HydrophobicContact CB-CD2 3.97Å; A55-L114 CarbonylContact O-C 3.59Å; A55-L114 VanDerWaalsContact O-CA 3.23Å; A55-L114 WeakPolarHBondContact O-CA 3.43Å; V56-L114 HydrophobicContact CG2-CD2 4.3Å; I112-L114 HydrophobicContact CG2-CD1 4.13Å; I112-L114 HydrophobicContact CG2-CG 4.47Å; L114-L166 HydrophobicContact CD1-CD1 3.95Å; L114-L166 HydrophobicContact CD2-CD1 4.37Å
115S96.8Very high74.8Confident38 Ų3874.1 Ų74.127%0.26645%0.449SS..EExtended strand (participates in β ladder)trans-105.6128.9172.7-65.30000110.4R15 A55 C57R15-S115 CarbonylContact O-C 3.56Å; R15-S115 VanDerWaalsContact O-CA 3.26Å; R15-S115 WeakPolarHBondContact O-CA 3.38Å; A55-S115 PolarHBondContact N-O 2.99Å; A55-S115 PolarHBondContact O-N 3.33Å; C57-S115 PolarHBondContact SG-OG 3.04Å
116L96.3Very high76.4Confident12 Ų1268.1 Ų68.16%0.06344%0.441CS..EExtended strand (participates in β ladder)trans-77.3120.5172.5177.564.1000109.2L14 R15 L18 L54 M147 L170L14-L116 HydrophobicContact CD1-CB 3.93Å; L14-L116 HydrophobicContact CD2-CB 4.47Å; L14-L116 HydrophobicContact CD2-CD1 4.47Å; L14-L116 HydrophobicContact CG-CB 4.21Å; R15-L116 PolarHBondContact O-N 3.18Å; L18-L116 HydrophobicContact CD1-CD2 4.07Å; L18-L116 HydrophobicContact CD2-CD2 4.03Å; L18-L116 HydrophobicContact CG-CD2 3.95Å; L54-L116 HydrophobicContact CD2-CD1 4.23Å; L116-M147 HydrophobicContact CD2-CB 4.32Å; L116-M147 HydrophobicContact CD2-CG 4.09Å; L116-L170 HydrophobicContact CD1-CD2 3.97Å; L116-L170 HydrophobicContact CD2-CD1 4.13Å; L116-L170 HydrophobicContact CD2-CD2 4.25Å
117M94.2Very high78Confident94 Ų9470.8 Ų70.846%0.46345%0.451SS..EExtended strand (participates in β ladder)trans-130162.3179.9-63.7-171.9178.600111V53 A55V53-M117 HydrophobicContact CB-CB 4.18Å; V53-M117 PolarHBondContact N-O 3.27Å; V53-M117 PolarHBondContact O-N 3.28Å; A55-M117 HydrophobicContact CB-CE 3.92Å; A55-M117 HydrophobicContact CB-SD 3.87Å
118M91.1Very high79.6Confident59 Ų5970.1 Ų70.129%0.29146%0.455SS..EExtended strand (participates in β ladder)trans-126.8134.3174.6-62.7-63.5-51.300109Q46 S51 C52 A120Q46-M118 HydrophobicContact CG-CE 3.5Å; Q46-M118 VanDerWaalsContact CG-CE 3.5Å; Q46-M118 HydrophobicContact CG-SD 4.02Å; S51-M118 CarbonylContact O-C 3.59Å; S51-M118 WeakPolarHBondContact O-CA 3.38Å; C52-M118 HydrophobicContact CB-SD 4.31Å; M118-A120 PolarHBondContact O-N 2.66Å
119E88.7Confident80.6Confident57 Ų5772.1 Ų72.127%0.26647%0.466SS..  trans-59.4119.4174.1-161.9-179.9178.300109.7S51 K67 T121S51-E119 PolarHBondContact O-N 3.14Å; K67-E119 IonicContact NZ-OE2 3.51Å; K67-E119 PolarHBondContact NZ-OE2 2.84Å; E119-T121 VanDerWaalsContact C-N 3.29Å; E119-T121 WeakPolarHBondContact CG-O 3.34Å
120A82.8Confident81Confident105 Ų10577.7 Ų77.787%0.86849%0.493SS*.SBendtrans-75.2-22.6-177.300000112.6M118M118-A120 PolarHBondContact O-N 2.66Å
121T76.3Confident80.9Confident98 Ų9883.5 Ų83.560%0.60152%0.52SS*.  trans-116.6143.6-173.551.90000110.7E119E119-T121 VanDerWaalsContact C-N 3.29Å; E119-T121 WeakPolarHBondContact CG-O 3.34Å
122K65.1Low80.5Confident177 Ų17788.1 Ų88.177%0.7755%0.549SS*.  trans-111.7130.6166.4-68-177.3178.6-177.80108.1G124K122-G124 PolarHBondContact O-N 3.01Å
123P62.1Low80Confident127 Ų12798.7 Ų98.783%0.82559%0.589SS**SBendtrans-69.7125.6174.225.9-30.2000109.9
124G64.2Low79.3Confident57 Ų57102.8 Ų102.859%0.58862%0.615SS**SBendtrans146.1165.6174.100000113.5K122 A126K122-G124 PolarHBondContact O-N 3.01Å; G124-A126 PolarHBondContact O-N 3.39Å
125P60.3Low78.6Confident132 Ų132108.6 Ų108.686%0.85765%0.651SS**  trans-65108.7174.626.9-30.6000108.7S127P125-S127 PolarHBondContact O-N 3.09Å
126A63.5Low77.8Confident95 Ų95112.2 Ų112.279%0.78566%0.664SS**PPolyproline II helixtrans-61.9122171.600000108G124 A128G124-A126 PolarHBondContact O-N 3.39Å; A126-A128 PolarHBondContact O-N 2.87Å
127S68.8Low77Confident113 Ų113121.2 Ų121.279%0.7970%0.702SS**PPolyproline II helixtrans-57.5137.2168.5-62.70000108.4P125P125-S127 PolarHBondContact O-N 3.09Å
128A76.4Confident76.5Confident83 Ų83119.3 Ų119.369%0.68670%0.698SS**PPolyproline II helixtrans-53.6132.517900000109.7A126 I130A126-A128 PolarHBondContact O-N 2.87Å; A128-I130 PolarHBondContact O-N 3.5Å; A128-I130 VanDerWaalsContact O-N 3.16Å
129P78.4Confident76.2Confident131 Ų131121.6 Ų121.685%0.85171%0.708SS**PPolyproline II helixtrans-63.5121.2-177.825.1-32.6000109.4
130I81.3Confident76.1Confident152 Ų152124.4 Ų124.478%0.77972%0.724SS**  trans-86.7114.3172.3-59.2176.9000107.3A128 T132A128-I130 PolarHBondContact O-N 3.5Å; A128-I130 VanDerWaalsContact O-N 3.16Å; I130-T132 HydrophobicContact CG2-CG2 4.44Å; I130-T132 PolarHBondContact O-N 3.27Å
131L83.2Confident76.4Confident164 Ų164120.6 Ų120.686%0.85969%0.689SS**  trans-90.4102.4175-169.7119.8000109.8
132T80Confident77Confident119 Ų119119.6 Ų119.673%0.7369%0.685SS**  trans-98.9126169.327.90000109.9I130I130-T132 HydrophobicContact CG2-CG2 4.44Å; I130-T132 PolarHBondContact O-N 3.27Å
133R81.9Confident78.3Confident222 Ų222111.9 Ų111.984%0.83865%0.654SS**  trans-99.9113176.7-178-178.1177.4-172-0.4109.7
134T77.9Confident79.8Confident118 Ų118109.4 Ų109.472%0.72464%0.637SS**  trans-113.6128.1171.3-51.50000108.8
135V81.3Confident81.3Confident127 Ų127106.7 Ų106.777%0.7761%0.609SS**  trans-99.2106.9177.3-177.70000108.4
136Q80.8Confident83.1Confident115 Ų115102 Ų10254%0.53758%0.579SS.*  trans-138.7146.5176.7-174.3176.6-14.400109.3D25 S138D25-Q136 PolarHBondContact OD1-NE2 2.88Å; Q136-S138 PolarHBondContact O-N 3.19Å
137K79.8Confident84.7Confident201 Ų20197.7 Ų97.787%0.87454%0.543SS*.  trans-79.8113.8167-70.2-176.5178.5-179.40108
138S82.5Confident86Confident54 Ų5493.4 Ų93.438%0.37851%0.511SS..  trans-132.7159.2172.860.80000109.5Q136Q136-S138 PolarHBondContact O-N 3.19Å
139H85.1Confident87Confident107 Ų10789.6 Ų89.650%0.49548%0.479SS..EExtended strand (participates in β ladder)trans-101.8143.6169.4-61.6-92.3000108.6L24L24-H139 HydrophobicContact CB-CB 4.1Å; L24-H139 PolarHBondContact N-O 3.18Å; L24-H139 PolarHBondContact O-N 2.92Å
140L87.4Confident87.8Confident116 Ų11683.7 Ų83.761%0.60744%0.441SS*.EExtended strand (participates in β ladder)trans-116.5120.4175.1-179.266.9000108.5C142L140-C142 VanDerWaalsContact CD2-SG 3.59Å; L140-C142 VanDerWaalsContact CG-SG 3.59Å
141L87.3Confident88.3Confident25 Ų2577.4 Ų77.413%0.13141%0.41CS..EExtended strand (participates in β ladder)trans-97.6121.4171.9-177.473.6000108.8C22 L24 I36 L190C22-L141 HydrophobicContact CB-CB 4.22Å; C22-L141 PolarHBondContact N-O 2.93Å; C22-L141 PolarHBondContact O-N 3.02Å; L24-L141 HydrophobicContact CD1-CB 4.29Å; I36-L141 HydrophobicContact CD1-CD2 4.08Å; I36-L141 HydrophobicContact CG1-CD2 4.31Å; L141-L190 HydrophobicContact CD1-CB 3.77Å; L141-L190 HydrophobicContact CD1-CD2 4.38Å; L141-L190 HydrophobicContact CD2-CB 4.17Å; L141-L190 HydrophobicContact CD2-CD1 4Å; L141-L190 HydrophobicContact CD2-CD2 3.97Å; L141-L190 HydrophobicContact CD2-CG 4.27Å; L141-L190 HydrophobicContact CG-CB 4.38Å; L141-L190 HydrophobicContact CG-CD2 4.19Å
142C89.9Confident88.5Confident76 Ų7672.8 Ų72.851%0.51438%0.381SS..EExtended strand (participates in β ladder)trans-121.8132.6179.4-70.30000110.4L20 L140L20-C142 VanDerWaalsContact O-CA 3.31Å; L20-C142 WeakPolarHBondContact O-CA 3.43Å; L140-C142 VanDerWaalsContact CD2-SG 3.59Å; L140-C142 VanDerWaalsContact CG-SG 3.59Å
143A91.7Very high88.6Confident15 Ų1567.2 Ų67.212%0.12435%0.347CS..EExtended strand (participates in β ladder)trans-149.6150.3167.800000110.6L20 L190 V192L20-A143 HydrophobicContact CB-CB 4.49Å; L20-A143 WeakPolarHBondContact CB-O 3.33Å; L20-A143 PolarHBondContact N-O 2.9Å; L20-A143 PolarHBondContact O-N 2.82Å; A143-L190 HydrophobicContact CB-CD2 3.62Å; A143-V192 HydrophobicContact CB-CG2 4.19Å
144T94.8Very high88.4Confident76 Ų7660.6 Ų60.647%0.46633%0.328SS..EExtended strand (participates in β ladder)trans-96.8113.8169.4-560000108.3P17P17-T144 HydrophobicContact CB-CG2 3.5Å
145L95.8Very high87.9Confident0 Ų057 Ų570%032%0.315CS..EExtended strand (participates in β ladder)trans-78.5122.1176.6-58.5179.9000109.1L18 L20 F40 L43 M147 L174 M177 P193L18-L145 HydrophobicContact CB-CB 4.43Å; L18-L145 PolarHBondContact N-O 2.93Å; L18-L145 WeakPolarHBondContact O-CB 3.24Å; L18-L145 PolarHBondContact O-N 3.38Å; L20-L145 HydrophobicContact CB-CD1 4.18Å; L20-L145 HydrophobicContact CB-CD2 4.4Å; L20-L145 HydrophobicContact CB-CG 4.05Å; L20-L145 HydrophobicContact CD1-CD1 4.46Å; F40-L145 HydrophobicContact CE1-CD1 3.74Å; F40-L145 HydrophobicContact CZ-CD1 4.13Å; L43-L145 HydrophobicContact CD1-CD1 3.73Å; L145-M147 HydrophobicContact CB-SD 4.33Å; L145-M147 PolarHBondContact O-N 2.73Å; L145-L174 HydrophobicContact CD1-CD2 4.46Å; L145-M177 HydrophobicContact CB-SD 4.32Å; L145-M177 HydrophobicContact CD1-SD 4.47Å; L145-P193 HydrophobicContact CD2-CG 3.89Å
146P96.6Very high87.6Confident34 Ų3456 Ų5622%0.22131%0.313CS..EExtended strand (participates in β ladder)trans-81.593.717832.5-32.4000109.3D148 M177 V192 P193 P195P146-D148 PolarHBondContact O-N 2.89Å; P146-M177 WeakPolarHBondContact O-CE 3.39Å; P146-V192 HydrophobicContact CG-CG1 4.34Å; P146-P193 WeakPolarHBondContact CD-O 3.45Å; P146-P195 WeakPolarHBondContact O-CD 3.31Å; P146-P195 VanDerWaalsContact O-CG 3.24Å; P146-P195 WeakPolarHBondContact O-CG 3.43Å
147M97.2Very high87.8Confident4 Ų451.2 Ų51.22%0.0229%0.292CS..EExtended strand (participates in β ladder)trans-72.4124.4174.3-51.4-55-7000109.2R15 G16 L18 L116 L145 L170 Q173 L174 M177R15-M147 CarbonylContact C-O 3.59Å; R15-M147 VanDerWaalsContact CA-O 3.25Å; R15-M147 WeakPolarHBondContact CA-O 3.4Å; G16-M147 PolarHBondContact N-O 3.37Å; G16-M147 WeakPolarHBondContact O-CA 3.2Å; G16-M147 WeakPolarHBondContact O-CB 3.39Å; G16-M147 WeakPolarHBondContact O-CG 3.46Å; G16-M147 PolarHBondContact O-N 2.93Å; L18-M147 HydrophobicContact CB-CG 4.23Å; L18-M147 HydrophobicContact CD1-CE 4.31Å; L18-M147 HydrophobicContact CD1-CG 3.69Å; L18-M147 HydrophobicContact CD1-SD 3.93Å; L18-M147 HydrophobicContact CG-CG 3.75Å; L18-M147 HydrophobicContact CG-SD 4.45Å; L116-M147 HydrophobicContact CD2-CB 4.32Å; L116-M147 HydrophobicContact CD2-CG 4.09Å; L145-M147 HydrophobicContact CB-SD 4.33Å; L145-M147 PolarHBondContact O-N 2.73Å; M147-L170 HydrophobicContact CB-CD1 4.2Å; M147-L170 HydrophobicContact CE-CD1 3.36Å; M147-L170 HydrophobicContact CE-CG 4.36Å; M147-L170 HydrophobicContact CG-CD1 4.34Å; M147-Q173 HydrophobicContact CE-CB 4.3Å; M147-Q173 HydrophobicContact CE-CG 4.01Å; M147-L174 HydrophobicContact CE-CD2 3.65Å; M147-L174 HydrophobicContact CE-CG 3.68Å; M147-L174 HydrophobicContact SD-CD2 3.93Å; M147-M177 HydrophobicContact CE-SD 4.26Å; M147-M177 HydrophobicContact SD-CE 3.91Å; M147-M177 HydrophobicContact SD-SD 3.65Å; M147-M177 VanDerWaalsContact SD-SD 3.65Å
148D97.6Very high88.2Confident23 Ų2343.1 Ų43.112%0.12326%0.259CS..EExtended strand (participates in β ladder)trans-141.2108.7169.8-161.4-10.3000108.7R13 L14 R15 P146 Q173 P195 H197R13-D148 WeakPolarHBondContact CG-OD1 3.45Å; R13-D148 IonicContact CZ-OD1 3.72Å; R13-D148 IonicContact CZ-OD2 2.67Å; R13-D148 IonicContact NE-OD1 2.97Å; R13-D148 PolarHBondContact NE-OD1 3.36Å; R13-D148 IonicContact NE-OD2 2.77Å; R13-D148 PolarHBondContact NE-OD2 3.1Å; R13-D148 IonicContact NH2-OD1 3.47Å; R13-D148 IonicContact NH2-OD2 3.78Å; R13-D148 PolarHBondContact NH2-OD2 3.08Å; L14-D148 CarbonylContact O-C 3.58Å; L14-D148 WeakPolarHBondContact O-CA 3.35Å; R15-D148 HydrophobicContact CG-CB 4.29Å; R15-D148 VanDerWaalsContact CG-OD1 3.3Å; R15-D148 WeakPolarHBondContact CG-OD1 3.32Å; P146-D148 PolarHBondContact O-N 2.89Å; D148-Q173 PolarHBondContact O-NE2 3.5Å; D148-Q173 PolarHBondContact O-OE1 3.41Å; D148-P195 HydrophobicContact CB-CG 3.83Å; D148-H197 PolarHBondContact O-CE1 3.26Å; D148-H197 IonicContact OD1-NE2 2.71Å; D148-H197 PolarHBondContact OD1-NE2 2.88Å; D148-H197 IonicContact OD2-NE2 2.66Å
149C96.1Very high88.4Confident2 Ų240.6 Ų40.61%0.01424%0.241CC..EExtended strand (participates in β ladder)trans-122.6128.6-178.6-64.30000109.5R13 L14 A169 L170 Q173R13-C149 CarbonylContact C-O 3.52Å; R13-C149 VanDerWaalsContact CA-O 3.3Å; R13-C149 WeakPolarHBondContact CA-O 3.33Å; L14-C149 HydrophobicContact CB-CB 4.48Å; L14-C149 PolarHBondContact N-O 2.79Å; L14-C149 PolarHBondContact O-N 2.89Å; C149-A169 HydrophobicContact CB-CB 4.28Å; C149-L170 VanDerWaalsContact SG-CA 3.59Å; C149-Q173 VanDerWaalsContact SG-CD 3.5Å; C149-Q173 PolarHBondContact SG-NE2 2.97Å
150A94.9Very high88.5Confident7 Ų739 Ų396%0.05823%0.233CC..EExtended strand (participates in β ladder)trans-122.9133.7177.900000110.7I11 L12 R13 L206 F248I11-A150 HydrophobicContact CG2-CB 4.23Å; L12-A150 CarbonylContact O-C 3.58Å; L12-A150 VanDerWaalsContact O-CA 3.28Å; L12-A150 WeakPolarHBondContact O-CA 3.24Å; R13-A150 HydrophobicContact CG-CB 4.42Å; A150-L206 HydrophobicContact CB-CD2 3.64Å; A150-F248 HydrophobicContact CB-CE1 4.11Å; A150-F248 HydrophobicContact CB-CZ 3.95Å
151V92.1Very high88.6Confident21 Ų2136.3 Ų36.313%0.12722%0.219CC..EExtended strand (participates in β ladder)trans-134.6144.9176.4-60.40000110.8L12 R165 L166 A169L12-V151 HydrophobicContact CB-CG2 3.93Å; L12-V151 HydrophobicContact CD1-CG2 4.11Å; L12-V151 HydrophobicContact CG-CG2 4.36Å; L12-V151 PolarHBondContact N-O 3.09Å; L12-V151 PolarHBondContact O-N 3.2Å; V151-R165 HydrophobicContact CB-CB 4.47Å; V151-R165 HydrophobicContact CG1-CB 4.42Å; V151-R165 HydrophobicContact CG2-CB 4.27Å; V151-L166 HydrophobicContact CG1-CD2 4.33Å; V151-L166 HydrophobicContact CG2-CD2 3.64Å; V151-L166 HydrophobicContact CG2-CG 3.72Å; V151-A169 HydrophobicContact CG1-CB 3.78Å
152W88.5Confident88.8Confident67 Ų6735.1 Ų35.125%0.25421%0.213SC..EExtended strand (participates in β ladder)trans-79138.9170.4-76.1106.6000111.1A9 I11 T109 R165 L199A9-W152 HydrophobicContact CB-CE3 3.63Å; A9-W152 HydrophobicContact CB-CH2 4.13Å; A9-W152 HydrophobicContact CB-CZ3 3.21Å; I11-W152 HydrophobicContact CD1-CE3 4.43Å; I11-W152 HydrophobicContact CD1-CH2 3.7Å; I11-W152 HydrophobicContact CD1-CZ2 3.84Å; I11-W152 HydrophobicContact CD1-CZ3 3.98Å; I11-W152 HydrophobicContact CG1-CD2 3.96Å; I11-W152 HydrophobicContact CG1-CE3 3.6Å; I11-W152 HydrophobicContact CG1-CH2 3.74Å; I11-W152 HydrophobicContact CG1-CZ2 4.06Å; I11-W152 HydrophobicContact CG1-CZ3 3.46Å; I11-W152 VanDerWaalsContact CG1-CZ3 3.46Å; T109-W152 HydrophobicContact CG2-CH2 3.56Å; T109-W152 HydrophobicContact CG2-CZ3 3.61Å; W152-R165 PolarHBondContact O-NH1 3.38Å; W152-L199 HydrophobicContact CZ2-CD1 4.36Å
153S81.8Confident88.8Confident1 Ų131.7 Ų31.71%0.00719%0.189CC..EExtended strand (participates in β ladder)trans-120.2129.5169.1-163.60000108.5V10 F79 D157V10-S153 PolarHBondContact N-O 3.42Å; V10-S153 PolarHBondContact O-N 3.25Å; F79-S153 WeakPolarHBondContact CD2-OG 2.9Å; S153-D157 WeakPolarHBondContact CA-OD2 3.15Å; S153-D157 VanDerWaalsContact OG-CB 3.31Å; S153-D157 WeakPolarHBondContact OG-CB 3.33Å
154N77.4Confident88.8Confident83 Ų8335 Ų3544%0.44420%0.203SC..  trans-83.3161.1173.1-63.5-10.5000109.2S156 D157N154-S156 PolarHBondContact O-N 3.04Å; N154-D157 PolarHBondContact N-OD2 3.46Å; N154-D157 WeakPolarHBondContact O-CB 3.4Å; N154-D157 PolarHBondContact O-N 3.02Å
155G67.3Low88.7Confident44 Ų4435.7 Ų35.745%0.45420%0.196SC..THydrogen-bonded Turntrans-61.8-16.3-178.800000114.9
156S75.5Confident88.6Confident104 Ų10435.7 Ų35.773%0.72720%0.196SC*.THydrogen-bonded Turntrans-90.5-9.9175.861.40000114.7N154N154-S156 PolarHBondContact O-N 3.04Å
157D84Confident88.5Confident16 Ų1634.8 Ų34.89%0.08619%0.19CC..  trans-77.7137.4-174.7-68.3-33.7000111.1F79 S153 N154 D161 R165F79-D157 HydrophobicContact CD2-CB 4.37Å; S153-D157 WeakPolarHBondContact CA-OD2 3.15Å; S153-D157 VanDerWaalsContact OG-CB 3.31Å; S153-D157 WeakPolarHBondContact OG-CB 3.33Å; N154-D157 PolarHBondContact N-OD2 3.46Å; N154-D157 WeakPolarHBondContact O-CB 3.4Å; N154-D157 PolarHBondContact O-N 3.02Å; D157-D161 HydrophobicContact CB-CB 4.45Å; D157-R165 IonicContact OD1-CZ 2.84Å; D157-R165 IonicContact OD1-NH1 2.92Å; D157-R165 IonicContact OD1-NH2 3.34Å; D157-R165 PolarHBondContact OD1-NH2 3.22Å; D157-R165 IonicContact OD2-CZ 3.76Å; D157-R165 VanDerWaalsContact OD2-CZ 3.26Å; D157-R165 IonicContact OD2-NH1 2.88Å; D157-R165 PolarHBondContact OD2-NH1 2.86Å; D157-R165 IonicContact OD2-NH2 2.66Å; D157-R165 PolarHBondContact OD2-NH2 2.99Å; D157-R165 VanDerWaalsContact OD2-NH2 3.17Å
158T88.6Confident88.4Confident31 Ų3141.1 Ų41.119%0.1922%0.217CC..BIsolated β-bridgetrans-81.7157.9175.167.10000111.4A77 F79 K160 D161 G162A77-T158 WeakPolarHBondContact O-CA 3.45Å; F79-T158 WeakPolarHBondContact CD2-O 3.3Å; F79-T158 VanDerWaalsContact CE2-C 3.46Å; F79-T158 WeakPolarHBondContact CE2-O 3.27Å; T158-K160 PolarHBondContact O-N 2.94Å; T158-K160 VanDerWaalsContact O-N 3.12Å; T158-D161 WeakPolarHBondContact CB-OD2 3.42Å; T158-D161 PolarHBondContact N-OD2 3.49Å; T158-D161 VanDerWaalsContact N-OD2 3.08Å; T158-D161 WeakPolarHBondContact O-CB 3.5Å; T158-D161 PolarHBondContact O-N 3.38Å; T158-D161 PolarHBondContact OG1-N 2.83Å; T158-D161 PolarHBondContact OG1-OD2 3.38Å; T158-G162 PolarHBondContact O-N 3.01Å
159I86Confident88.3Confident0 Ų041.3 Ų41.30%022%0.221CC..Hα-helixtrans-51.8-39.1176.5-66.6172.6000111.9I63 F70 I73 P75 A77 F79 I82 C163I63-I159 HydrophobicContact CD1-CG2 4.39Å; F70-I159 HydrophobicContact CD1-CG2 3.99Å; F70-I159 HydrophobicContact CE1-CG2 3.79Å; I73-I159 HydrophobicContact CB-CD1 4.34Å; I73-I159 HydrophobicContact CD1-CD1 4.45Å; I73-I159 HydrophobicContact CG2-CD1 3.43Å; I73-I159 VanDerWaalsContact CG2-CD1 3.43Å; P75-I159 PolarHBondContact O-N 2.82Å; A77-I159 HydrophobicContact CB-CD1 4.11Å; A77-I159 WeakPolarHBondContact O-CG1 3.46Å; A77-I159 PolarHBondContact O-N 2.87Å; F79-I159 HydrophobicContact CD1-CB 4.38Å; F79-I159 HydrophobicContact CD1-CG1 3.88Å; F79-I159 HydrophobicContact CE1-CB 4.14Å; F79-I159 HydrophobicContact CE1-CG1 4.14Å; F79-I159 HydrophobicContact CE1-CG2 4.05Å; F79-I159 VanDerWaalsContact CE2-CA 3.46Å; F79-I159 HydrophobicContact CG-CG1 4.16Å; F79-I159 VanDerWaalsContact CZ-C 3.49Å; F79-I159 HydrophobicContact CZ-CB 4.33Å; F79-I159 HydrophobicContact CZ-CG2 4.43Å; F79-I159 WeakPolarHBondContact CZ-O 3.47Å; I82-I159 HydrophobicContact CD1-CD1 4.01Å; I82-I159 HydrophobicContact CD1-CG1 4.01Å; I82-I159 HydrophobicContact CD1-CG2 4.21Å; I82-I159 HydrophobicContact CG1-CD1 3.67Å; I82-I159 HydrophobicContact CG1-CG1 4.09Å; I159-C163 WeakPolarHBondContact O-CB 3.34Å; I159-C163 PolarHBondContact O-N 3.23Å; I159-C163 VanDerWaalsContact O-N 3.13Å; I159-C163 PolarHBondContact O-SG 2.93Å
160K88.5Confident88.3Confident75 Ų7541.2 Ų41.233%0.32622%0.221SC..Hα-helixtrans-61.2-47.4175.5-175.1-179.7174.1-174.30112.4F70 P75 T158 G162 C163 E164F70-K160 HydrophobicContact CZ-CB 4.4Å; P75-K160 HydrophobicContact CB-CB 4.26Å; P75-K160 PolarHBondContact O-N 3.46Å; T158-K160 PolarHBondContact O-N 2.94Å; T158-K160 VanDerWaalsContact O-N 3.12Å; K160-G162 PolarHBondContact O-N 2.79Å; K160-C163 PolarHBondContact O-N 2.8Å; K160-E164 VanDerWaalsContact CE-OE1 3.3Å; K160-E164 WeakPolarHBondContact CE-OE1 3.34Å; K160-E164 WeakPolarHBondContact O-CG 3.34Å; K160-E164 PolarHBondContact O-N 2.92Å
161D90.1Very high88.3Confident58 Ų5841.8 Ų41.831%0.3122%0.224SC..Hα-helixtrans-59.6-44.7-177.3-64.3-45.7000112.2D157 T158 E164 R165D157-D161 HydrophobicContact CB-CB 4.45Å; T158-D161 WeakPolarHBondContact CB-OD2 3.42Å; T158-D161 PolarHBondContact N-OD2 3.49Å; T158-D161 VanDerWaalsContact N-OD2 3.08Å; T158-D161 WeakPolarHBondContact O-CB 3.5Å; T158-D161 PolarHBondContact O-N 3.38Å; T158-D161 PolarHBondContact OG1-N 2.83Å; T158-D161 PolarHBondContact OG1-OD2 3.38Å; D161-E164 PolarHBondContact O-N 2.92Å; D161-R165 WeakPolarHBondContact O-CG 3.25Å; D161-R165 PolarHBondContact O-N 2.94Å
162G89.6Confident88.5Confident0 Ų048 Ų480%025%0.245CC..Hα-helixtrans-73-31.9179.700000112.4F79 T158 K160 R165 L166F79-G162 VanDerWaalsContact CE2-N 3.34Å; T158-G162 PolarHBondContact O-N 3.01Å; K160-G162 PolarHBondContact O-N 2.79Å; G162-R165 PolarHBondContact O-N 3.27Å; G162-L166 WeakPolarHBondContact O-CB 3.37Å; G162-L166 WeakPolarHBondContact O-CG 3.3Å; G162-L166 PolarHBondContact O-N 3.26Å
163C90.6Very high88.9Confident4 Ų445.1 Ų45.13%0.02723%0.234CC..Hα-helixtrans-63.4-43169.8-70.50000111.3I159 K160 R165 L166 M167I159-C163 WeakPolarHBondContact O-CB 3.34Å; I159-C163 PolarHBondContact O-N 3.23Å; I159-C163 VanDerWaalsContact O-N 3.13Å; I159-C163 PolarHBondContact O-SG 2.93Å; K160-C163 PolarHBondContact O-N 2.8Å; C163-R165 VanDerWaalsContact C-N 3.34Å; C163-R165 PolarHBondContact O-N 3.37Å; C163-L166 WeakPolarHBondContact O-CB 3.44Å; C163-L166 PolarHBondContact O-N 3.48Å; C163-M167 WeakPolarHBondContact O-CG 3.26Å; C163-M167 PolarHBondContact O-N 3.39Å
164E92.1Very high89.7Confident86 Ų8645.1 Ų45.140%0.40223%0.234SC..Hα-helixtrans-61.6-41.2174.7-72.6-174.9-171.400111.9K160 D161 M167 K168K160-E164 VanDerWaalsContact CE-OE1 3.3Å; K160-E164 WeakPolarHBondContact CE-OE1 3.34Å; K160-E164 WeakPolarHBondContact O-CG 3.34Å; K160-E164 PolarHBondContact O-N 2.92Å; D161-E164 PolarHBondContact O-N 2.92Å; E164-M167 PolarHBondContact O-N 3.49Å; E164-K168 VanDerWaalsContact O-CG 3.31Å; E164-K168 WeakPolarHBondContact O-CG 3.22Å; E164-K168 PolarHBondContact O-N 3.45Å
165R92.7Very high90.6Very high89 Ų8945.8 Ų45.834%0.33623%0.233SC..Hα-helixtrans-63.4-43.6174-70.9177.9-166.4168.713.3111.9V151 W152 D157 D161 G162 C163 M167 K168 A169V151-R165 HydrophobicContact CB-CB 4.47Å; V151-R165 HydrophobicContact CG1-CB 4.42Å; V151-R165 HydrophobicContact CG2-CB 4.27Å; W152-R165 PolarHBondContact O-NH1 3.38Å; D157-R165 IonicContact OD1-CZ 2.84Å; D157-R165 IonicContact OD1-NH1 2.92Å; D157-R165 IonicContact OD1-NH2 3.34Å; D157-R165 PolarHBondContact OD1-NH2 3.22Å; D157-R165 IonicContact OD2-CZ 3.76Å; D157-R165 VanDerWaalsContact OD2-CZ 3.26Å; D157-R165 IonicContact OD2-NH1 2.88Å; D157-R165 PolarHBondContact OD2-NH1 2.86Å; D157-R165 IonicContact OD2-NH2 2.66Å; D157-R165 PolarHBondContact OD2-NH2 2.99Å; D157-R165 VanDerWaalsContact OD2-NH2 3.17Å; D161-R165 WeakPolarHBondContact O-CG 3.25Å; D161-R165 PolarHBondContact O-N 2.94Å; G162-R165 PolarHBondContact O-N 3.27Å; C163-R165 VanDerWaalsContact C-N 3.34Å; C163-R165 PolarHBondContact O-N 3.37Å; R165-M167 PolarHBondContact O-N 3.43Å; R165-K168 PolarHBondContact O-N 3.2Å; R165-A169 WeakPolarHBondContact O-CB 3.19Å; R165-A169 PolarHBondContact O-N 3.41Å
166L93.6Very high92Very high0 Ų046 Ų460%022%0.222CC..Hα-helixtrans-59.5-45.2174.7-80.9174.6000111.7L12 L14 L114 V151 G162 C163 K168 A169 L170L12-L166 HydrophobicContact CB-CD1 3.88Å; L12-L166 HydrophobicContact CB-CD2 4.12Å; L12-L166 HydrophobicContact CB-CG 4.12Å; L12-L166 HydrophobicContact CD1-CD1 4.12Å; L12-L166 HydrophobicContact CD1-CG 4.35Å; L14-L166 HydrophobicContact CB-CD2 4.04Å; L114-L166 HydrophobicContact CD1-CD1 3.95Å; L114-L166 HydrophobicContact CD2-CD1 4.37Å; V151-L166 HydrophobicContact CG1-CD2 4.33Å; V151-L166 HydrophobicContact CG2-CD2 3.64Å; V151-L166 HydrophobicContact CG2-CG 3.72Å; G162-L166 WeakPolarHBondContact O-CB 3.37Å; G162-L166 WeakPolarHBondContact O-CG 3.3Å; G162-L166 PolarHBondContact O-N 3.26Å; C163-L166 WeakPolarHBondContact O-CB 3.44Å; C163-L166 PolarHBondContact O-N 3.48Å; L166-K168 VanDerWaalsContact C-N 3.34Å; L166-K168 PolarHBondContact O-N 2.93Å; L166-A169 WeakPolarHBondContact O-CB 3.41Å; L166-A169 PolarHBondContact O-N 3Å; L166-L170 VanDerWaalsContact O-CB 3.3Å; L166-L170 WeakPolarHBondContact O-CB 3.3Å; L166-L170 PolarHBondContact O-N 3.43Å
167M94.5Very high93Very high16 Ų1641 Ų418%0.07919%0.188CC..Hα-helixtrans-66.3-36179.5-68.5-54.1-67.200112.5V47 L54 P65 C163 E164 R165 L170 T171V47-M167 HydrophobicContact CG1-CE 3.6Å; V47-M167 VanDerWaalsContact O-CE 3.27Å; V47-M167 WeakPolarHBondContact O-CE 3.25Å; L54-M167 HydrophobicContact CD1-SD 4.38Å; L54-M167 HydrophobicContact CD2-SD 4.2Å; P65-M167 HydrophobicContact CB-CG 3.85Å; P65-M167 HydrophobicContact CB-SD 4.26Å; P65-M167 HydrophobicContact CG-CE 4.18Å; P65-M167 HydrophobicContact CG-CG 3.96Å; P65-M167 HydrophobicContact CG-SD 3.69Å; C163-M167 WeakPolarHBondContact O-CG 3.26Å; C163-M167 PolarHBondContact O-N 3.39Å; E164-M167 PolarHBondContact O-N 3.49Å; R165-M167 PolarHBondContact O-N 3.43Å; M167-L170 HydrophobicContact CE-CD2 4.32Å; M167-L170 HydrophobicContact SD-CD2 4.16Å; M167-T171 WeakPolarHBondContact O-CB 3.34Å; M167-T171 PolarHBondContact O-N 2.76Å; M167-T171 PolarHBondContact O-OG1 3.38Å
168K94.9Very high93.6Very high137 Ų13741.3 Ų41.360%0.59619%0.189SC*.Hα-helixtrans-63.2-46.4170.4-73.2167.2-179.1164.50111.1E164 R165 L166 T171 R172E164-K168 VanDerWaalsContact O-CG 3.31Å; E164-K168 WeakPolarHBondContact O-CG 3.22Å; E164-K168 PolarHBondContact O-N 3.45Å; R165-K168 PolarHBondContact O-N 3.2Å; L166-K168 VanDerWaalsContact C-N 3.34Å; L166-K168 PolarHBondContact O-N 2.93Å; K168-T171 PolarHBondContact O-N 2.89Å; K168-R172 WeakPolarHBondContact O-CB 3.48Å; K168-R172 PolarHBondContact O-N 3.14Å
169A95.6Very high93.9Very high26 Ų2644 Ų4422%0.21520%0.198CC..Hα-helixtrans-62.1-43.1177.200000112.1C149 V151 R165 L166 T171 R172 Q173C149-A169 HydrophobicContact CB-CB 4.28Å; V151-A169 HydrophobicContact CG1-CB 3.78Å; R165-A169 WeakPolarHBondContact O-CB 3.19Å; R165-A169 PolarHBondContact O-N 3.41Å; L166-A169 WeakPolarHBondContact O-CB 3.41Å; L166-A169 PolarHBondContact O-N 3Å; A169-T171 PolarHBondContact O-N 3.26Å; A169-R172 PolarHBondContact O-N 3.04Å; A169-Q173 WeakPolarHBondContact O-CB 3.25Å; A169-Q173 PolarHBondContact O-N 2.95Å
170L95.7Very high94.3Very high0 Ų044.3 Ų44.30%020%0.199CC..Hα-helixtrans-61.7-44.5177-175.765.6000111.9L14 V47 L116 M147 C149 L166 M167 Q173 L174L14-L170 HydrophobicContact CD2-CD1 4.22Å; L14-L170 HydrophobicContact CD2-CD2 3.88Å; L14-L170 HydrophobicContact CD2-CG 4.47Å; V47-L170 HydrophobicContact CB-CD2 4.36Å; V47-L170 HydrophobicContact CG1-CD2 3.26Å; V47-L170 HydrophobicContact CG1-CG 3.81Å; V47-L170 HydrophobicContact CG2-CD2 4.14Å; V47-L170 HydrophobicContact CG2-CG 4.49Å; L116-L170 HydrophobicContact CD1-CD2 3.97Å; L116-L170 HydrophobicContact CD2-CD1 4.13Å; L116-L170 HydrophobicContact CD2-CD2 4.25Å; M147-L170 HydrophobicContact CB-CD1 4.2Å; M147-L170 HydrophobicContact CE-CD1 3.36Å; M147-L170 HydrophobicContact CE-CG 4.36Å; M147-L170 HydrophobicContact CG-CD1 4.34Å; C149-L170 VanDerWaalsContact SG-CA 3.59Å; L166-L170 VanDerWaalsContact O-CB 3.3Å; L166-L170 WeakPolarHBondContact O-CB 3.3Å; L166-L170 PolarHBondContact O-N 3.43Å; M167-L170 HydrophobicContact CE-CD2 4.32Å; M167-L170 HydrophobicContact SD-CD2 4.16Å; L170-Q173 PolarHBondContact O-N 3.42Å; L170-L174 PolarHBondContact O-N 2.81Å
171T95.5Very high94.5Very high20 Ų2040.8 Ų40.812%0.12318%0.184CC..Hα-helixtrans-63.8-44174.8-590000111.2M167 K168 A169 L174 F175M167-T171 WeakPolarHBondContact O-CB 3.34Å; M167-T171 PolarHBondContact O-N 2.76Å; M167-T171 PolarHBondContact O-OG1 3.38Å; K168-T171 PolarHBondContact O-N 2.89Å; A169-T171 PolarHBondContact O-N 3.26Å; T171-L174 PolarHBondContact O-N 2.86Å; T171-F175 HydrophobicContact CG2-CD2 4.18Å; T171-F175 HydrophobicContact CG2-CE2 3.86Å; T171-F175 VanDerWaalsContact O-CD2 3.29Å; T171-F175 WeakPolarHBondContact O-CD2 3.4Å; T171-F175 PolarHBondContact O-N 2.97Å
172R96.3Very high94.5Very high151 Ų15140.1 Ų40.157%0.5718%0.181SC*.Hα-helixtrans-62.6-43.7178.2179.960-176.5-150.12111.4K168 A169 L174 F175 E176K168-R172 WeakPolarHBondContact O-CB 3.48Å; K168-R172 PolarHBondContact O-N 3.14Å; A169-R172 PolarHBondContact O-N 3.04Å; R172-L174 VanDerWaalsContact C-N 3.31Å; R172-L174 PolarHBondContact O-N 2.96Å; R172-F175 WeakPolarHBondContact O-CB 3.26Å; R172-F175 PolarHBondContact O-N 3.35Å; R172-F175 VanDerWaalsContact O-N 3.07Å; R172-E176 IonicContact CZ-OE1 3.26Å; R172-E176 IonicContact NE-OE1 3.11Å; R172-E176 PolarHBondContact NE-OE1 2.93Å; R172-E176 IonicContact NH2-OE1 3.64Å; R172-E176 PolarHBondContact NH2-OE1 3.38Å; R172-E176 PolarHBondContact O-N 3.08Å
173Q97.3Very high94.5Very high7 Ų746 Ų463%0.03321%0.208CC..Hα-helixtrans-58.6-41.7177.2179162.2-78.200112.1M147 D148 C149 A169 L170 F175 E176 M177 V210M147-Q173 HydrophobicContact CE-CB 4.3Å; M147-Q173 HydrophobicContact CE-CG 4.01Å; D148-Q173 PolarHBondContact O-NE2 3.5Å; D148-Q173 PolarHBondContact O-OE1 3.41Å; C149-Q173 VanDerWaalsContact SG-CD 3.5Å; C149-Q173 PolarHBondContact SG-NE2 2.97Å; A169-Q173 WeakPolarHBondContact O-CB 3.25Å; A169-Q173 PolarHBondContact O-N 2.95Å; L170-Q173 PolarHBondContact O-N 3.42Å; Q173-F175 VanDerWaalsContact C-N 3.29Å; Q173-F175 PolarHBondContact O-N 3.05Å; Q173-E176 PolarHBondContact O-N 2.88Å; Q173-M177 HydrophobicContact CG-CE 3.8Å; Q173-M177 HydrophobicContact CG-CG 4.11Å; Q173-M177 HydrophobicContact CG-SD 4.02Å; Q173-M177 WeakPolarHBondContact O-CB 3.41Å; Q173-M177 VanDerWaalsContact O-CG 3.23Å; Q173-M177 WeakPolarHBondContact O-CG 3.35Å; Q173-M177 PolarHBondContact O-N 3.45Å; Q173-V210 HydrophobicContact CG-CG2 4.45Å
174L97.4Very high94.2Very high0 Ų047.4 Ų47.40%022%0.217CC..Hα-helixtrans-62-35.1175.4-74.5173.6000112.9L18 L43 R44 V47 L145 M147 L170 T171 R172 E178L18-L174 HydrophobicContact CD1-CD2 4.21Å; L43-L174 HydrophobicContact CB-CD1 4.48Å; L43-L174 HydrophobicContact CB-CD2 4.48Å; R44-L174 HydrophobicContact CB-CD1 4.47Å; R44-L174 HydrophobicContact CG-CB 3.86Å; R44-L174 HydrophobicContact CG-CD1 3.83Å; V47-L174 HydrophobicContact CB-CD1 4.48Å; V47-L174 HydrophobicContact CG2-CD1 4Å; L145-L174 HydrophobicContact CD1-CD2 4.46Å; M147-L174 HydrophobicContact CE-CD2 3.65Å; M147-L174 HydrophobicContact CE-CG 3.68Å; M147-L174 HydrophobicContact SD-CD2 3.93Å; L170-L174 PolarHBondContact O-N 2.81Å; T171-L174 PolarHBondContact O-N 2.86Å; R172-L174 VanDerWaalsContact C-N 3.31Å; R172-L174 PolarHBondContact O-N 2.96Å; L174-E178 WeakPolarHBondContact O-CB 3.34Å; L174-E178 PolarHBondContact O-N 3.1Å
175F97.2Very high93.7Very high98 Ų9845 Ų4543%0.4321%0.207SC..Hα-helixtrans-67.7-42.6173-78.9-68.1000112.2R44 T171 R172 Q173 E178 K179R44-F175 VanDerWaalsContact CD-CZ 3.44Å; T171-F175 HydrophobicContact CG2-CD2 4.18Å; T171-F175 HydrophobicContact CG2-CE2 3.86Å; T171-F175 VanDerWaalsContact O-CD2 3.29Å; T171-F175 WeakPolarHBondContact O-CD2 3.4Å; T171-F175 PolarHBondContact O-N 2.97Å; R172-F175 WeakPolarHBondContact O-CB 3.26Å; R172-F175 PolarHBondContact O-N 3.35Å; R172-F175 VanDerWaalsContact O-N 3.07Å; Q173-F175 VanDerWaalsContact C-N 3.29Å; Q173-F175 PolarHBondContact O-N 3.05Å; F175-E178 WeakPolarHBondContact O-CB 3.29Å; F175-E178 PolarHBondContact O-N 3.16Å; F175-K179 PolarHBondContact O-N 2.7Å
176E96.6Very high93Very high47 Ų4748.1 Ų48.122%0.2222%0.222CC..Hα-helixtrans-67.4-39.7176.8-64.1-55.5152.900112R172 Q173 E178 K179 V180 V210R172-E176 IonicContact CZ-OE1 3.26Å; R172-E176 IonicContact NE-OE1 3.11Å; R172-E176 PolarHBondContact NE-OE1 2.93Å; R172-E176 IonicContact NH2-OE1 3.64Å; R172-E176 PolarHBondContact NH2-OE1 3.38Å; R172-E176 PolarHBondContact O-N 3.08Å; Q173-E176 PolarHBondContact O-N 2.88Å; E176-E178 VanDerWaalsContact C-N 3.31Å; E176-E178 PolarHBondContact O-N 3.32Å; E176-K179 WeakPolarHBondContact O-CB 3.35Å; E176-K179 PolarHBondContact O-N 2.86Å; E176-V180 WeakPolarHBondContact O-CG2 3.17Å; E176-V180 PolarHBondContact O-N 2.71Å; E176-V210 HydrophobicContact CB-CB 4.18Å; E176-V210 HydrophobicContact CB-CG2 3.7Å
177M96.9Very high92.2Very high0 Ų051 Ų510%025%0.253CS..Hα-helixtrans-60.8-40.3173.4-74.5-176.5165.600111.7F40 L145 P146 M147 Q173 T181 P193 P195 V210F40-M177 HydrophobicContact CE1-CB 3.83Å; F40-M177 HydrophobicContact CZ-CB 4.31Å; L145-M177 HydrophobicContact CB-SD 4.32Å; L145-M177 HydrophobicContact CD1-SD 4.47Å; P146-M177 WeakPolarHBondContact O-CE 3.39Å; M147-M177 HydrophobicContact CE-SD 4.26Å; M147-M177 HydrophobicContact SD-CE 3.91Å; M147-M177 HydrophobicContact SD-SD 3.65Å; M147-M177 VanDerWaalsContact SD-SD 3.65Å; Q173-M177 HydrophobicContact CG-CE 3.8Å; Q173-M177 HydrophobicContact CG-CG 4.11Å; Q173-M177 HydrophobicContact CG-SD 4.02Å; Q173-M177 WeakPolarHBondContact O-CB 3.41Å; Q173-M177 VanDerWaalsContact O-CG 3.23Å; Q173-M177 WeakPolarHBondContact O-CG 3.35Å; Q173-M177 PolarHBondContact O-N 3.45Å; M177-T181 WeakPolarHBondContact O-CB 3.27Å; M177-T181 PolarHBondContact O-N 2.8Å; M177-T181 PolarHBondContact O-OG1 2.72Å; M177-P193 HydrophobicContact CB-CB 4.07Å; M177-P193 HydrophobicContact CB-CG 3.7Å; M177-P193 HydrophobicContact CG-CB 3.89Å; M177-P193 HydrophobicContact CG-CG 3.75Å; M177-P193 HydrophobicContact SD-CG 4.31Å; M177-P195 HydrophobicContact CE-CG 3.91Å; M177-V210 HydrophobicContact CG-CG1 4.01Å; M177-V210 HydrophobicContact CG-CG2 4.31Å
178E96.4Very high91.2Very high23 Ų2354.6 Ų54.611%0.10728%0.276CS..Hα-helixtrans-61.2-49.2172.3-177.5-179.4178.500110.8S37 F40 R44 L174 F175 E176 V180 T181 L182S37-E178 VanDerWaalsContact CA-OE1 3.22Å; S37-E178 WeakPolarHBondContact CA-OE1 3.45Å; S37-E178 WeakPolarHBondContact CB-OE1 3.31Å; S37-E178 PolarHBondContact OG-OE1 3.23Å; F40-E178 HydrophobicContact CB-CB 4.08Å; F40-E178 HydrophobicContact CB-CG 4.05Å; F40-E178 HydrophobicContact CD1-CB 3.88Å; F40-E178 HydrophobicContact CD2-CB 3.89Å; F40-E178 HydrophobicContact CD2-CG 3.87Å; F40-E178 HydrophobicContact CE1-CB 4.26Å; F40-E178 HydrophobicContact CE2-CB 4.27Å; F40-E178 HydrophobicContact CE2-CG 4.5Å; F40-E178 HydrophobicContact CG-CB 3.69Å; F40-E178 HydrophobicContact CG-CG 3.95Å; F40-E178 HydrophobicContact CZ-CB 4.44Å; R44-E178 IonicContact CZ-OE2 3.77Å; R44-E178 VanDerWaalsContact CZ-OE2 3.23Å; R44-E178 IonicContact NH1-OE2 3.5Å; R44-E178 PolarHBondContact NH1-OE2 2.84Å; R44-E178 IonicContact NH2-OE2 3.55Å; R44-E178 PolarHBondContact NH2-OE2 3.35Å; L174-E178 WeakPolarHBondContact O-CB 3.34Å; L174-E178 PolarHBondContact O-N 3.1Å; F175-E178 WeakPolarHBondContact O-CB 3.29Å; F175-E178 PolarHBondContact O-N 3.16Å; E176-E178 VanDerWaalsContact C-N 3.31Å; E176-E178 PolarHBondContact O-N 3.32Å; E178-V180 PolarHBondContact O-N 3.18Å; E178-T181 WeakPolarHBondContact O-CB 3.31Å; E178-T181 PolarHBondContact O-N 3.45Å; E178-L182 HydrophobicContact CG-CD1 3.9Å; E178-L182 HydrophobicContact CG-CG 4.39Å; E178-L182 VanDerWaalsContact O-CG 3.3Å; E178-L182 WeakPolarHBondContact O-CG 3.42Å; E178-L182 PolarHBondContact O-N 3.38Å
179K94.5Very high90.6Very high88 Ų8852 Ų5238%0.38327%0.272SS..Hα-helixtrans-56.1-52.7178.8-178.8-175.7172.7-172.20111.5F175 E176 T181 L182 Q183F175-K179 PolarHBondContact O-N 2.7Å; E176-K179 WeakPolarHBondContact O-CB 3.35Å; E176-K179 PolarHBondContact O-N 2.86Å; K179-T181 VanDerWaalsContact C-N 3.32Å; K179-T181 PolarHBondContact O-N 3.11Å; K179-L182 PolarHBondContact O-N 2.86Å; K179-Q183 WeakPolarHBondContact O-CB 3.49Å; K179-Q183 VanDerWaalsContact O-CG 3.26Å; K179-Q183 WeakPolarHBondContact O-CG 3.43Å; K179-Q183 PolarHBondContact O-N 3.45Å
180V93.9Very high90Very high5 Ų552.2 Ų52.23%0.0327%0.269CS..Hα-helixtrans-62.5-41.3179.41710000111.1E176 E178 L182 Q183 C184 P193 V210 P212E176-V180 WeakPolarHBondContact O-CG2 3.17Å; E176-V180 PolarHBondContact O-N 2.71Å; E178-V180 PolarHBondContact O-N 3.18Å; V180-L182 PolarHBondContact O-N 3.19Å; V180-Q183 PolarHBondContact O-N 3.41Å; V180-C184 WeakPolarHBondContact O-CB 3.32Å; V180-C184 PolarHBondContact O-N 2.91Å; V180-C184 PolarHBondContact O-SG 3.49Å; V180-C184 VanDerWaalsContact O-SG 3.39Å; V180-P193 HydrophobicContact CB-CB 4.34Å; V180-P193 HydrophobicContact CG1-CB 4.12Å; V180-V210 HydrophobicContact CB-CG1 4.19Å; V180-V210 HydrophobicContact CG1-CG1 4.43Å; V180-V210 HydrophobicContact CG2-CB 4.06Å; V180-V210 HydrophobicContact CG2-CG1 3.91Å; V180-V210 WeakPolarHBondContact CG2-O 3.38Å; V180-P212 HydrophobicContact CG1-CB 4.19Å
181T92.2Very high89.5Confident1 Ų157.5 Ų57.51%0.00629%0.289CS..Hα-helixtrans-57.2-52.7176.3-67.60000110.9I36 F40 M177 E178 K179 Q183 C184 M185 L190I36-T181 HydrophobicContact CG2-CG2 3.88Å; F40-T181 HydrophobicContact CE2-CG2 4.03Å; M177-T181 WeakPolarHBondContact O-CB 3.27Å; M177-T181 PolarHBondContact O-N 2.8Å; M177-T181 PolarHBondContact O-OG1 2.72Å; E178-T181 WeakPolarHBondContact O-CB 3.31Å; E178-T181 PolarHBondContact O-N 3.45Å; K179-T181 VanDerWaalsContact C-N 3.32Å; K179-T181 PolarHBondContact O-N 3.11Å; T181-Q183 VanDerWaalsContact C-N 3.34Å; T181-Q183 PolarHBondContact O-N 2.81Å; T181-C184 PolarHBondContact O-N 2.8Å; T181-M185 HydrophobicContact CG2-SD 4.49Å; T181-M185 VanDerWaalsContact O-CG 3.23Å; T181-M185 WeakPolarHBondContact O-CG 3.36Å; T181-M185 PolarHBondContact O-N 3.2Å; T181-L190 HydrophobicContact CG2-CD1 3.32Å
182L91.4Very high89.3Confident45 Ų4558 Ų5824%0.23629%0.292CS..Hα-helixtrans-65.1-36.8-178.4-66172000112.4Q33 I36 E178 K179 V180 M185Q33-L182 HydrophobicContact CB-CD2 3.85Å; Q33-L182 HydrophobicContact CG-CD2 3.9Å; I36-L182 HydrophobicContact CB-CD2 4.41Å; I36-L182 HydrophobicContact CG2-CD2 4.15Å; E178-L182 HydrophobicContact CG-CD1 3.9Å; E178-L182 HydrophobicContact CG-CG 4.39Å; E178-L182 VanDerWaalsContact O-CG 3.3Å; E178-L182 WeakPolarHBondContact O-CG 3.42Å; E178-L182 PolarHBondContact O-N 3.38Å; K179-L182 PolarHBondContact O-N 2.86Å; V180-L182 PolarHBondContact O-N 3.19Å; L182-M185 HydrophobicContact CD2-SD 4.42Å
183Q88.5Confident89.3Confident124 Ų12450.9 Ų50.958%0.57927%0.265SS*.Hα-helixtrans-71.8-32.9179.3-73.7178.3-2300113.5K179 V180 T181K179-Q183 WeakPolarHBondContact O-CB 3.49Å; K179-Q183 VanDerWaalsContact O-CG 3.26Å; K179-Q183 WeakPolarHBondContact O-CG 3.43Å; K179-Q183 PolarHBondContact O-N 3.45Å; V180-Q183 PolarHBondContact O-N 3.41Å; T181-Q183 VanDerWaalsContact C-N 3.34Å; T181-Q183 PolarHBondContact O-N 2.81Å
184C84.5Confident89.2Confident33 Ų3352.6 Ų52.622%0.22327%0.273CS..Hα-helixtrans-100.36-174.1-60.60000114V180 T181 K186 R191 P212V180-C184 WeakPolarHBondContact O-CB 3.32Å; V180-C184 PolarHBondContact O-N 2.91Å; V180-C184 PolarHBondContact O-SG 3.49Å; V180-C184 VanDerWaalsContact O-SG 3.39Å; T181-C184 PolarHBondContact O-N 2.8Å; C184-K186 PolarHBondContact O-N 3.37Å; C184-R191 HydrophobicContact CB-CB 4.46Å; C184-P212 HydrophobicContact CB-CB 4.15Å
185M81.7Confident89.2Confident36 Ų3653 Ų5318%0.17728%0.275CS..  trans-67.7123.4175.3-88.2172.176.700111.5M32 I36 T181 L182 L190M32-M185 HydrophobicContact CB-CE 4.45Å; M32-M185 HydrophobicContact CG-CE 3.66Å; M32-M185 HydrophobicContact SD-CE 3.2Å; M32-M185 WeakPolarHBondContact SD-CE 3.11Å; I36-M185 HydrophobicContact CD1-CE 3.35Å; I36-M185 HydrophobicContact CD1-SD 3.25Å; I36-M185 WeakPolarHBondContact CD1-SD 3.47Å; T181-M185 HydrophobicContact CG2-SD 4.49Å; T181-M185 VanDerWaalsContact O-CG 3.23Å; T181-M185 WeakPolarHBondContact O-CG 3.36Å; T181-M185 PolarHBondContact O-N 3.2Å; L182-M185 HydrophobicContact CD2-SD 4.42Å; M185-L190 HydrophobicContact CG-CD1 4.37Å
186K78.3Confident89.2Confident153 Ų15349.8 Ų49.867%0.66526%0.262SS*.BIsolated β-bridgetrans-120.2101.1172.7-68.9178.9-179.1171.20108.4C184 T188 T189C184-K186 PolarHBondContact O-N 3.37Å; K186-T188 PolarHBondContact O-N 3.05Å; K186-T189 PolarHBondContact O-N 3.07Å
187G77.1Confident89.3Confident62 Ų6247.8 Ų47.864%0.63925%0.253SS*.THydrogen-bonded Turntrans60-126.7-172.500000111.4
188T74.4Confident89.3Confident91 Ų9147.9 Ų47.956%0.55825%0.254SS*.THydrogen-bonded Turntrans-90.9517957.80000113.8I27 M32 K186I27-T188 HydrophobicContact CB-CG2 4.48Å; I27-T188 HydrophobicContact CG2-CG2 4.33Å; M32-T188 HydrophobicContact CE-CG2 4.01Å; K186-T188 PolarHBondContact O-N 3.05Å
189T80.6Confident89.2Confident83 Ų8350 Ų5051%0.50927%0.265SS..BIsolated β-bridgetrans-92.5119.5-177-53.80000110.4K186K186-T189 PolarHBondContact O-N 3.07Å
190L82.6Confident89.2Confident29 Ų2946.2 Ų46.215%0.15225%0.249CC..PPolyproline II helixtrans-92.8127.7175.4-170.977.2000110.6L20 L141 A143 T181 M185L20-L190 HydrophobicContact CD2-CD2 3.83Å; L141-L190 HydrophobicContact CD1-CB 3.77Å; L141-L190 HydrophobicContact CD1-CD2 4.38Å; L141-L190 HydrophobicContact CD2-CB 4.17Å; L141-L190 HydrophobicContact CD2-CD1 4Å; L141-L190 HydrophobicContact CD2-CD2 3.97Å; L141-L190 HydrophobicContact CD2-CG 4.27Å; L141-L190 HydrophobicContact CG-CB 4.38Å; L141-L190 HydrophobicContact CG-CD2 4.19Å; A143-L190 HydrophobicContact CB-CD2 3.62Å; T181-L190 HydrophobicContact CG2-CD1 3.32Å; M185-L190 HydrophobicContact CG-CD1 4.37Å
191R86.8Confident89.1Confident112 Ų11248.4 Ų48.442%0.42326%0.263SS..PPolyproline II helixtrans-92.4125.5166.4-66.2-67.4-176.4160.6-0.5108.5C184 P193 P212C184-R191 HydrophobicContact CB-CB 4.46Å; R191-P193 WeakPolarHBondContact O-CD 3.25Å; R191-P212 HydrophobicContact CB-CB 4.27Å
192V91.6Very high88.9Confident31 Ų3155.6 Ų55.619%0.18830%0.297CS..PPolyproline II helixtrans-67.6124.6178.7-179.20000108.5A143 P146 R213A143-V192 HydrophobicContact CB-CG2 4.19Å; P146-V192 HydrophobicContact CG-CG1 4.34Å; V192-R213 WeakPolarHBondContact O-CB 3.33Å; V192-R213 PolarHBondContact O-N 3.31Å
193P95.2Very high88.8Confident0 Ų059.6 Ų59.60%033%0.326CS..EExtended strand (participates in β ladder)trans-70.7139.1173.729.3-33.9000110.2L145 P146 M177 V180 R191 V210L145-P193 HydrophobicContact CD2-CG 3.89Å; P146-P193 WeakPolarHBondContact CD-O 3.45Å; M177-P193 HydrophobicContact CB-CB 4.07Å; M177-P193 HydrophobicContact CB-CG 3.7Å; M177-P193 HydrophobicContact CG-CB 3.89Å; M177-P193 HydrophobicContact CG-CG 3.75Å; M177-P193 HydrophobicContact SD-CG 4.31Å; V180-P193 HydrophobicContact CB-CB 4.34Å; V180-P193 HydrophobicContact CG1-CB 4.12Å; R191-P193 WeakPolarHBondContact O-CD 3.25Å; P193-V210 HydrophobicContact CB-CG1 3.48Å; P193-V210 VanDerWaalsContact CB-CG1 3.48Å
194E95.9Very high88.9Confident43 Ų4356.4 Ų56.420%0.20131%0.313CS..EExtended strand (participates in β ladder)trans-124.7114.1-174.6179.3161-10700109.6L196 V210 F211 R213E194-L196 HydrophobicContact CG-CD2 4.35Å; E194-V210 WeakPolarHBondContact O-CA 3.45Å; E194-F211 PolarHBondContact N-O 2.89Å; E194-F211 PolarHBondContact O-N 3.32Å; E194-R213 HydrophobicContact CB-CB 4.24Å; E194-R213 IonicContact OE1-CZ 3.9Å; E194-R213 IonicContact OE1-NE 2.76Å; E194-R213 PolarHBondContact OE1-NE 3.26Å; E194-R213 IonicContact OE1-NH2 2.78Å; E194-R213 PolarHBondContact OE1-NH2 3.32Å
195P97.5Very high89.2Confident9 Ų955.8 Ų55.86%0.05831%0.312CS..EExtended strand (participates in β ladder)trans-76.1134.4174.831.4-31.2000110.2P146 D148 M177 T208 V210P146-P195 WeakPolarHBondContact O-CD 3.31Å; P146-P195 VanDerWaalsContact O-CG 3.24Å; P146-P195 WeakPolarHBondContact O-CG 3.43Å; D148-P195 HydrophobicContact CB-CG 3.83Å; M177-P195 HydrophobicContact CE-CG 3.91Å; P195-T208 HydrophobicContact CB-CG2 3.96Å; P195-V210 HydrophobicContact CB-CG2 4.4Å
196L97.5Very high89.8Confident30 Ų3055.2 Ų55.216%0.15731%0.309CS..EExtended strand (participates in β ladder)trans-127.6140.3172.7-63.6179.4000109.1E194 F198 T208 V209 F211 R242E194-L196 HydrophobicContact CG-CD2 4.35Å; L196-F198 HydrophobicContact CB-CE2 3.58Å; L196-F198 HydrophobicContact CB-CZ 3.78Å; L196-F198 HydrophobicContact CD1-CZ 4.21Å; L196-T208 WeakPolarHBondContact O-CA 3.28Å; L196-V209 PolarHBondContact N-O 2.94Å; L196-V209 PolarHBondContact O-N 3.21Å; L196-F211 HydrophobicContact CD1-CD2 3.98Å; L196-R242 HydrophobicContact CD1-CB 4.37Å; L196-R242 HydrophobicContact CD1-CG 3.74Å
197H97.7Very high90.6Very high6 Ų648.7 Ų48.73%0.02828%0.282CS..EExtended strand (participates in β ladder)trans-99138.9179.6-52.6-65.4000109.8D148 L206 V207 T208 A245 Y246 F248D148-H197 PolarHBondContact O-CE1 3.26Å; D148-H197 IonicContact OD1-NE2 2.71Å; D148-H197 PolarHBondContact OD1-NE2 2.88Å; D148-H197 IonicContact OD2-NE2 2.66Å; H197-L206 HydrophobicContact CB-CD1 4.02Å; H197-V207 CarbonylContact C-O 3.54Å; H197-V207 VanDerWaalsContact CA-O 3.31Å; H197-V207 WeakPolarHBondContact CA-O 3.08Å; H197-T208 PolarHBondContact CE1-OG1 3.36Å; H197-T208 PolarHBondContact ND1-OG1 2.99Å; H197-A245 CarbonylContact O-C 3.5Å; H197-A245 VanDerWaalsContact O-CA 3.27Å; H197-A245 WeakPolarHBondContact O-CA 3.49Å; H197-Y246 PolarHBondContact O-N 3.3Å; H197-F248 HydrophobicContact CB-CE2 4.25Å; H197-F248 HydrophobicContact CB-CZ 4.02Å; H197-F248 AromaticContact CD2-CE2 3.58Å; H197-F248 AromaticContact CD2-CZ 3.52Å; H197-F248 AromaticContact CG-CZ 3.84Å
198F96.9Very high91.5Very high1 Ų148.4 Ų48.40%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-130.3130.3-179.3-62.7-84.1000109.2L196 L200 L206 V207 V209 F211 F239 F240 R241 N244 A245L196-F198 HydrophobicContact CB-CE2 3.58Å; L196-F198 HydrophobicContact CB-CZ 3.78Å; L196-F198 HydrophobicContact CD1-CZ 4.21Å; F198-L200 HydrophobicContact CB-CD2 4.25Å; F198-L206 CarbonylContact O-C 3.46Å; F198-L206 WeakPolarHBondContact O-CA 3.39Å; F198-V207 HydrophobicContact CB-CG2 3.9Å; F198-V207 PolarHBondContact N-O 2.85Å; F198-V207 PolarHBondContact O-N 3.27Å; F198-V209 HydrophobicContact CD2-CB 4.14Å; F198-V209 HydrophobicContact CD2-CG2 3.99Å; F198-V209 HydrophobicContact CE2-CB 3.88Å; F198-V209 HydrophobicContact CE2-CG2 4.19Å; F198-F211 AromaticContact CE2-CE2 4Å; F198-F211 HydrophobicContact CE2-CE2 4Å; F198-F211 AromaticContact CZ-CE2 3.92Å; F198-F211 HydrophobicContact CZ-CE2 3.92Å; F198-F239 WeakPolarHBondContact CD1-O 3.46Å; F198-F240 HydrophobicContact CB-CD1 4.33Å; F198-F240 HydrophobicContact CB-CE1 4.44Å; F198-F240 HydrophobicContact CD1-CD1 4.35Å; F198-F240 AromaticContact CD2-CD1 3.95Å; F198-F240 HydrophobicContact CD2-CD1 3.95Å; F198-F240 HydrophobicContact CE2-CD1 4.39Å; F198-F240 AromaticContact CG-CD1 3.93Å; F198-F240 HydrophobicContact CG-CD1 3.93Å; F198-F240 HydrophobicContact CG-CE1 4.49Å; F198-R241 VanDerWaalsContact CE1-O 3.31Å; F198-R241 WeakPolarHBondContact CE1-O 3.28Å; F198-N244 HydrophobicContact CD1-CB 4.13Å; F198-N244 WeakPolarHBondContact CD1-O 3.46Å; F198-N244 HydrophobicContact CE1-CB 4.13Å; F198-A245 HydrophobicContact CE1-CB 4.34Å
199L94.6Very high92.6Very high68 Ų6844.5 Ų44.536%0.35624%0.244SC..EExtended strand (participates in β ladder)trans-92.8101.6173.3-175.767000108.8W152 L206 Y246W152-L199 HydrophobicContact CZ2-CD1 4.36Å; L199-L206 HydrophobicContact CD1-CB 4.41Å; L199-Y246 HydrophobicContact CB-CD2 3.6Å; L199-Y246 HydrophobicContact CB-CE2 4.2Å; L199-Y246 HydrophobicContact CB-CG 4.27Å; L199-Y246 HydrophobicContact CD2-CD2 4.02Å; L199-Y246 HydrophobicContact CD2-CE2 3.75Å; L199-Y246 HydrophobicContact CG-CD2 4.4Å
200L94.8Very high93.4Very high9 Ų940.9 Ų40.95%0.04722%0.222CC..EExtended strand (participates in β ladder)trans-87.7158.3179.9-58.6-176.2000111.2F198 N204 G205 V207 F231 L233 F239 F240F198-L200 HydrophobicContact CB-CD2 4.25Å; L200-N204 HydrophobicContact CB-CB 3.74Å; L200-N204 HydrophobicContact CD1-CB 3.95Å; L200-N204 HydrophobicContact CG-CB 4.48Å; L200-G205 PolarHBondContact N-O 3.33Å; L200-V207 HydrophobicContact CD1-CB 4.41Å; L200-V207 HydrophobicContact CD1-CG1 3.88Å; L200-V207 HydrophobicContact CD1-CG2 3.6Å; L200-V207 HydrophobicContact CG-CG1 4.42Å; L200-V207 HydrophobicContact CG-CG2 3.83Å; L200-F231 HydrophobicContact CD1-CB 4.03Å; L200-F231 HydrophobicContact CD1-CD1 4Å; L200-F231 HydrophobicContact CD1-CD2 4.08Å; L200-F231 HydrophobicContact CD1-CE1 4.49Å; L200-F231 HydrophobicContact CD1-CG 3.78Å; L200-L233 HydrophobicContact CD1-CD1 4.17Å; L200-L233 HydrophobicContact CD2-CD1 3.89Å; L200-F239 HydrophobicContact CD2-CB 4.12Å; L200-F239 HydrophobicContact CD2-CD1 4.11Å; L200-F239 HydrophobicContact CD2-CG 4.48Å; L200-F240 HydrophobicContact CD1-CE1 3.93Å; L200-F240 HydrophobicContact CD1-CZ 3.73Å; L200-F240 HydrophobicContact CD2-CE1 3.8Å; L200-F240 HydrophobicContact CD2-CZ 3.86Å; L200-F240 HydrophobicContact CG-CE1 4.34Å; L200-F240 HydrophobicContact CG-CZ 4.41Å
201P91.6Very high94Very high50 Ų5039.5 Ų39.533%0.32522%0.215SC..THydrogen-bonded Turntrans-55151.2170-23.134.1000111.9N204 F239P201-N204 PolarHBondContact O-N 3.01Å; P201-F239 HydrophobicContact CG-CE1 3.78Å; P201-F239 HydrophobicContact CG-CZ 4.27Å
202E86.9Confident94.3Very high153 Ų15334.2 Ų34.272%0.71520%0.195SC*.THydrogen-bonded Turntrans-53.8143.6171.3-71-177.1-176.300111.3A4A4-E202 WeakPolarHBondContact CB-OE1 3.46Å
203P90Very high94.4Very high129 Ų12937.8 Ų37.884%0.83821%0.205SC*.THydrogen-bonded Turncis-88.94.36.535.8-36.4000114.9
204N90.3Very high94Very high56 Ų5640.5 Ų40.530%0.29923%0.233SC..THydrogen-bonded Turntrans-72.2-39.4-168.6-68.7-50.9000114.1L200 P201 F231L200-N204 HydrophobicContact CB-CB 3.74Å; L200-N204 HydrophobicContact CD1-CB 3.95Å; L200-N204 HydrophobicContact CG-CB 4.48Å; P201-N204 PolarHBondContact O-N 3.01Å; N204-F231 HydrophobicContact CB-CD1 4.36Å; N204-F231 PolarHBondContact ND2-O 3.17Å
205G91.5Very high93.7Very high20 Ų2040.4 Ų40.421%0.20623%0.232CC..EExtended strand (participates in β ladder)trans65.2-145.4177.900000114L200 V207L200-G205 PolarHBondContact N-O 3.33Å; G205-V207 PolarHBondContact O-N 3.45Å
206L93.2Very high93.4Very high24 Ų2442.5 Ų42.513%0.12625%0.246CC..EExtended strand (participates in β ladder)trans-80.3119.2-177.9-172.873.9000110.6I11 A150 H197 F198 L199 Y246I11-L206 HydrophobicContact CG2-CD2 4.36Å; A150-L206 HydrophobicContact CB-CD2 3.64Å; H197-L206 HydrophobicContact CB-CD1 4.02Å; F198-L206 CarbonylContact O-C 3.46Å; F198-L206 WeakPolarHBondContact O-CA 3.39Å; L199-L206 HydrophobicContact CD1-CB 4.41Å; L206-Y246 HydrophobicContact CD1-CD1 3.98Å; L206-Y246 HydrophobicContact CD1-CG 3.99Å
207V95.1Very high93.1Very high17 Ų1741.6 Ų41.610%0.10324%0.242CC..EExtended strand (participates in β ladder)trans-119.5149.9178.8-54.90000110.6H197 F198 L200 G205 F231 F240H197-V207 CarbonylContact C-O 3.54Å; H197-V207 VanDerWaalsContact CA-O 3.31Å; H197-V207 WeakPolarHBondContact CA-O 3.08Å; F198-V207 HydrophobicContact CB-CG2 3.9Å; F198-V207 PolarHBondContact N-O 2.85Å; F198-V207 PolarHBondContact O-N 3.27Å; L200-V207 HydrophobicContact CD1-CB 4.41Å; L200-V207 HydrophobicContact CD1-CG1 3.88Å; L200-V207 HydrophobicContact CD1-CG2 3.6Å; L200-V207 HydrophobicContact CG-CG1 4.42Å; L200-V207 HydrophobicContact CG-CG2 3.83Å; G205-V207 PolarHBondContact O-N 3.45Å; V207-F231 HydrophobicContact CB-CE1 4.42Å; V207-F231 HydrophobicContact CB-CZ 4.11Å; V207-F231 HydrophobicContact CG1-CD1 4.41Å; V207-F231 HydrophobicContact CG1-CE1 3.71Å; V207-F231 HydrophobicContact CG1-CZ 3.91Å; V207-F231 HydrophobicContact CG2-CZ 4.37Å; V207-F240 HydrophobicContact CG2-CE1 4.05Å
208T96.8Very high92.7Very high55 Ų5547.9 Ų47.934%0.33727%0.269SS..EExtended strand (participates in β ladder)trans-110.2128.2175-55.60000109.3P195 L196 H197P195-T208 HydrophobicContact CB-CG2 3.96Å; L196-T208 WeakPolarHBondContact O-CA 3.28Å; H197-T208 PolarHBondContact CE1-OG1 3.36Å; H197-T208 PolarHBondContact ND1-OG1 2.99Å
209V97.3Very high92.4Very high10 Ų1053.2 Ų53.26%0.06129%0.294CS..EExtended strand (participates in β ladder)trans-122.2138.5176.2178.70000108.4L196 F198 F211 L227 F240L196-V209 PolarHBondContact N-O 2.94Å; L196-V209 PolarHBondContact O-N 3.21Å; F198-V209 HydrophobicContact CD2-CB 4.14Å; F198-V209 HydrophobicContact CD2-CG2 3.99Å; F198-V209 HydrophobicContact CE2-CB 3.88Å; F198-V209 HydrophobicContact CE2-CG2 4.19Å; V209-F211 HydrophobicContact CB-CE2 4.2Å; V209-F211 HydrophobicContact CG1-CD2 4.09Å; V209-F211 HydrophobicContact CG1-CE1 4.12Å; V209-F211 HydrophobicContact CG1-CE2 3.63Å; V209-F211 HydrophobicContact CG1-CZ 3.65Å; V209-L227 HydrophobicContact CG1-CD1 3.61Å; V209-L227 HydrophobicContact CG1-CD2 4.34Å; V209-L227 HydrophobicContact CG2-CD1 4.12Å; V209-L227 HydrophobicContact CG2-CD2 4.11Å; V209-F240 HydrophobicContact CG2-CD1 4.02Å; V209-F240 HydrophobicContact CG2-CE1 4.15Å
210V97.3Very high92.4Very high7 Ų750.6 Ų50.64%0.04228%0.28CS..EExtended strand (participates in β ladder)trans-101.5124.7178.1-176.40000109.3Q173 E176 M177 V180 P193 E194 P195 Q223Q173-V210 HydrophobicContact CG-CG2 4.45Å; E176-V210 HydrophobicContact CB-CB 4.18Å; E176-V210 HydrophobicContact CB-CG2 3.7Å; M177-V210 HydrophobicContact CG-CG1 4.01Å; M177-V210 HydrophobicContact CG-CG2 4.31Å; V180-V210 HydrophobicContact CB-CG1 4.19Å; V180-V210 HydrophobicContact CG1-CG1 4.43Å; V180-V210 HydrophobicContact CG2-CB 4.06Å; V180-V210 HydrophobicContact CG2-CG1 3.91Å; V180-V210 WeakPolarHBondContact CG2-O 3.38Å; P193-V210 HydrophobicContact CB-CG1 3.48Å; P193-V210 VanDerWaalsContact CB-CG1 3.48Å; E194-V210 WeakPolarHBondContact O-CA 3.45Å; P195-V210 HydrophobicContact CB-CG2 4.4Å; V210-Q223 PolarHBondContact O-NE2 3.19Å
211F95.8Very high92.4Very high0 Ų054 Ų540%030%0.296CS..EExtended strand (participates in β ladder)trans-116.9152.7175.4-72.2-65000111.3E194 L196 F198 V209 R213 L220 Q223 R224 L227 F240E194-F211 PolarHBondContact N-O 2.89Å; E194-F211 PolarHBondContact O-N 3.32Å; L196-F211 HydrophobicContact CD1-CD2 3.98Å; F198-F211 AromaticContact CE2-CE2 4Å; F198-F211 HydrophobicContact CE2-CE2 4Å; F198-F211 AromaticContact CZ-CE2 3.92Å; F198-F211 HydrophobicContact CZ-CE2 3.92Å; V209-F211 HydrophobicContact CB-CE2 4.2Å; V209-F211 HydrophobicContact CG1-CD2 4.09Å; V209-F211 HydrophobicContact CG1-CE1 4.12Å; V209-F211 HydrophobicContact CG1-CE2 3.63Å; V209-F211 HydrophobicContact CG1-CZ 3.65Å; F211-R213 PolarHBondContact O-N 3.07Å; F211-L220 HydrophobicContact CB-CD1 4.35Å; F211-L220 HydrophobicContact CD1-CD1 3.7Å; F211-L220 HydrophobicContact CD1-CD2 4.41Å; F211-L220 HydrophobicContact CD1-CG 4.46Å; F211-L220 HydrophobicContact CE1-CB 4.46Å; F211-L220 HydrophobicContact CE1-CD1 4.24Å; F211-L220 HydrophobicContact CG-CD1 4.18Å; F211-Q223 HydrophobicContact CE1-CG 4.26Å; F211-R224 HydrophobicContact CZ-CG 4.35Å; F211-L227 HydrophobicContact CE1-CD1 4.5Å; F211-L227 HydrophobicContact CZ-CD1 4.1Å; F211-F240 WeakPolarHBondContact CE2-O 3.3Å; F211-F240 HydrophobicContact CZ-CB 4.3Å; F211-F240 WeakPolarHBondContact CZ-O 3.44Å
212P93.9Very high92.5Very high1 Ų155.2 Ų55.21%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-68.5124.9171.127.5-33.2000110.4V180 C184 R191 G214 E215 L220 R242V180-P212 HydrophobicContact CG1-CB 4.19Å; C184-P212 HydrophobicContact CB-CB 4.15Å; R191-P212 HydrophobicContact CB-CB 4.27Å; P212-G214 PolarHBondContact O-N 3.26Å; P212-E215 HydrophobicContact CB-CB 4.26Å; P212-E215 HydrophobicContact CG-CB 3.68Å; P212-E215 HydrophobicContact CG-CG 4.22Å; P212-E215 PolarHBondContact O-N 3.1Å; P212-L220 HydrophobicContact CG-CD2 3.92Å; P212-R242 PolarHBondContact O-NH2 2.97Å
213R92.1Very high92.9Very high106 Ų10650.1 Ų50.140%0.429%0.286SS..THydrogen-bonded Turntrans-61.1130.8177.9-178.1176.3-77170.9-2.3111V192 E194 F211 E215V192-R213 WeakPolarHBondContact O-CB 3.33Å; V192-R213 PolarHBondContact O-N 3.31Å; E194-R213 HydrophobicContact CB-CB 4.24Å; E194-R213 IonicContact OE1-CZ 3.9Å; E194-R213 IonicContact OE1-NE 2.76Å; E194-R213 PolarHBondContact OE1-NE 3.26Å; E194-R213 IonicContact OE1-NH2 2.78Å; E194-R213 PolarHBondContact OE1-NH2 3.32Å; F211-R213 PolarHBondContact O-N 3.07Å; R213-E215 VanDerWaalsContact C-N 3.32Å
214G87.8Confident93.2Very high56 Ų5644 Ų4458%0.57725%0.246SC*.THydrogen-bonded Turntrans82.30.8176.200000115.4P212P212-G214 PolarHBondContact O-N 3.26Å
215E89.9Confident93.5Very high41 Ų4147.2 Ų47.219%0.19225%0.254CS..  trans-81.2122.9170.4-161.870.6-147.600109.6P212 R213 E219 L220 R242P212-E215 HydrophobicContact CB-CB 4.26Å; P212-E215 HydrophobicContact CG-CB 3.68Å; P212-E215 HydrophobicContact CG-CG 4.22Å; P212-E215 PolarHBondContact O-N 3.1Å; R213-E215 VanDerWaalsContact C-N 3.32Å; E215-E219 HydrophobicContact CG-CB 4.06Å; E215-L220 HydrophobicContact CB-CD1 4.43Å; E215-L220 HydrophobicContact CB-CD2 4.36Å; E215-L220 HydrophobicContact CB-CG 4.49Å; E215-L220 HydrophobicContact CG-CD2 3.99Å; E215-L220 HydrophobicContact CG-CG 4.23Å; E215-R242 PolarHBondContact O-NH1 3.3Å; E215-R242 PolarHBondContact O-NH2 2.84Å
216P91.1Very high93.7Very high54 Ų5451.9 Ų51.935%0.35127%0.271SS..  trans-59.6150-178.8-25.335.6000113.4K218 E219P216-K218 HydrophobicContact CB-CG 3.93Å; P216-K218 PolarHBondContact O-N 3.17Å; P216-E219 PolarHBondContact O-N 3.43Å
217D91.2Very high93.9Very high11 Ų1151.5 Ų51.56%0.05927%0.269CS..G310 helixtrans-62.2-30.3-178.2-81.3-21.8000112E219 L220 R224 R241 R242D217-E219 PolarHBondContact O-N 3.45Å; D217-L220 PolarHBondContact O-N 3.13Å; D217-L220 VanDerWaalsContact O-N 3.09Å; D217-R224 PolarHBondContact O-NH1 2.86Å; D217-R224 PolarHBondContact O-NH2 3.21Å; D217-R241 HydrophobicContact CB-CG 4.41Å; D217-R241 WeakPolarHBondContact OD2-CB 3.33Å; D217-R242 IonicContact OD1-CZ 3.23Å; D217-R242 IonicContact OD1-NH1 2.91Å; D217-R242 PolarHBondContact OD1-NH1 2.85Å; D217-R242 PolarHBondContact OD2-N 2.82Å
218K89Confident94Very high138 Ų13850.7 Ų50.760%0.626%0.264SS*.G310 helixtrans-57.3-33.9174.564.3173.8-174.2166.90113.9P216 L220P216-K218 HydrophobicContact CB-CG 3.93Å; P216-K218 PolarHBondContact O-N 3.17Å; K218-L220 VanDerWaalsContact C-N 3.29Å; K218-L220 PolarHBondContact O-N 3Å
219E91.3Very high94Very high113 Ų11350.9 Ų50.953%0.52828%0.276SS..G310 helixtrans-81.7-13.6-178.6-56.3-58146.700112E215 P216 D217E215-E219 HydrophobicContact CG-CB 4.06Å; P216-E219 PolarHBondContact O-N 3.43Å; D217-E219 PolarHBondContact O-N 3.45Å
220L93.4Very high94Very high12 Ų1256 Ų566%0.06330%0.3CS..G310 helixtrans-98.49.8-177.1-59.9173.7000113F211 P212 E215 D217 K218 A222 Q223 R224F211-L220 HydrophobicContact CB-CD1 4.35Å; F211-L220 HydrophobicContact CD1-CD1 3.7Å; F211-L220 HydrophobicContact CD1-CD2 4.41Å; F211-L220 HydrophobicContact CD1-CG 4.46Å; F211-L220 HydrophobicContact CE1-CB 4.46Å; F211-L220 HydrophobicContact CE1-CD1 4.24Å; F211-L220 HydrophobicContact CG-CD1 4.18Å; P212-L220 HydrophobicContact CG-CD2 3.92Å; E215-L220 HydrophobicContact CB-CD1 4.43Å; E215-L220 HydrophobicContact CB-CD2 4.36Å; E215-L220 HydrophobicContact CB-CG 4.49Å; E215-L220 HydrophobicContact CG-CD2 3.99Å; E215-L220 HydrophobicContact CG-CG 4.23Å; D217-L220 PolarHBondContact O-N 3.13Å; D217-L220 VanDerWaalsContact O-N 3.09Å; K218-L220 VanDerWaalsContact C-N 3.29Å; K218-L220 PolarHBondContact O-N 3Å; L220-A222 VanDerWaalsContact C-N 3.35Å; L220-A222 PolarHBondContact O-N 2.87Å; L220-Q223 PolarHBondContact O-N 3.39Å; L220-R224 PolarHBondContact O-N 2.94Å; L220-R224 PolarHBondContact O-NH1 3.42Å
221E94.5Very high93.9Very high81 Ų8157.4 Ų57.438%0.37931%0.305SS..Hα-helixtrans-58.9-42.8-177.7-172.2-175.5131.400112.6Q223 R224 R225 I466E221-Q223 VanDerWaalsContact C-N 3.34Å; E221-Q223 PolarHBondContact O-N 3.23Å; E221-R224 PolarHBondContact O-N 3.17Å; E221-R225 PolarHBondContact O-N 3.5Å; E221-R225 IonicContact OE1-CZ 2.68Å; E221-R225 IonicContact OE1-NH2 3.5Å; E221-R225 PolarHBondContact OE1-NH2 3.33Å; E221-I466 HydrophobicContact CG-CD1 3.93Å; E221-I466 HydrophobicContact CG-CG1 3.91Å
222A94.3Very high93.9Very high76 Ų7666.2 Ų66.263%0.62835%0.346SS*.Hα-helixtrans-61.4-43.2179.400000111.9L220 R225 E226L220-A222 VanDerWaalsContact C-N 3.35Å; L220-A222 PolarHBondContact O-N 2.87Å; A222-R225 PolarHBondContact O-N 3.28Å; A222-E226 PolarHBondContact O-N 3.49Å; A222-E226 VanDerWaalsContact O-N 3.14Å
223Q94.4Very high94Very high46 Ų4667 Ų6722%0.21535%0.35CS..Hα-helixtrans-64.8-41.2175.7-172.6-177.71.300111.2V210 F211 L220 E221 R225 E226 L227V210-Q223 PolarHBondContact O-NE2 3.19Å; F211-Q223 HydrophobicContact CE1-CG 4.26Å; L220-Q223 PolarHBondContact O-N 3.39Å; E221-Q223 VanDerWaalsContact C-N 3.34Å; E221-Q223 PolarHBondContact O-N 3.23Å; Q223-R225 VanDerWaalsContact C-N 3.34Å; Q223-R225 PolarHBondContact O-N 2.68Å; Q223-E226 WeakPolarHBondContact O-CB 3.41Å; Q223-E226 PolarHBondContact O-N 2.96Å; Q223-L227 HydrophobicContact CG-CD1 4.49Å; Q223-L227 WeakPolarHBondContact O-CG 3.23Å; Q223-L227 PolarHBondContact O-N 2.8Å
224R96.3Very high94.1Very high0 Ų064.7 Ų64.70%035%0.349CS..Hα-helixtrans-64.2-36.8175.7-70.1-161.9-57.9-72.4-3.8112.8F211 D217 L220 E221 E226 L227 H228 F240 I466F211-R224 HydrophobicContact CZ-CG 4.35Å; D217-R224 PolarHBondContact O-NH1 2.86Å; D217-R224 PolarHBondContact O-NH2 3.21Å; L220-R224 PolarHBondContact O-N 2.94Å; L220-R224 PolarHBondContact O-NH1 3.42Å; E221-R224 PolarHBondContact O-N 3.17Å; R224-E226 VanDerWaalsContact C-N 3.34Å; R224-L227 WeakPolarHBondContact O-CB 3.34Å; R224-L227 PolarHBondContact O-N 3.43Å; R224-H228 PolarHBondContact O-CD2 2.95Å; R224-H228 PolarHBondContact O-N 3.37Å; R224-F240 VanDerWaalsContact CD-C 3.44Å; R224-F240 WeakPolarHBondContact CD-O 3.11Å; R224-F240 HydrophobicContact CG-CB 3.87Å; R224-I466 PolarHBondContact NE-O 3.43Å; R224-I466 PolarHBondContact NE-OXT 3.39Å; R224-I466 PolarHBondContact NH2-O 3.35Å
225R96.6Very high94.4Very high124 Ų12466.5 Ų66.547%0.46835%0.346SS..Hα-helixtrans-63.6-39.7174.8-167.3174.5-69145.47.8112E221 A222 Q223 L227 H228 G229 I466E221-R225 PolarHBondContact O-N 3.5Å; E221-R225 IonicContact OE1-CZ 2.68Å; E221-R225 IonicContact OE1-NH2 3.5Å; E221-R225 PolarHBondContact OE1-NH2 3.33Å; A222-R225 PolarHBondContact O-N 3.28Å; Q223-R225 VanDerWaalsContact C-N 3.34Å; Q223-R225 PolarHBondContact O-N 2.68Å; R225-L227 VanDerWaalsContact C-N 3.35Å; R225-H228 PolarHBondContact O-N 3.11Å; R225-G229 PolarHBondContact O-N 3.31Å; R225-G229 VanDerWaalsContact O-N 3.09Å; R225-I466 HydrophobicContact CB-CD1 3.69Å; R225-I466 HydrophobicContact CG-CD1 4.14Å
226E96.4Very high94.5Very high118 Ų11868.4 Ų68.455%0.55136%0.357SS*.Hα-helixtrans-60.9-44.6172.5-173.3-176.8171.100111A222 Q223 R224 H228 G229 Q230A222-E226 PolarHBondContact O-N 3.49Å; A222-E226 VanDerWaalsContact O-N 3.14Å; Q223-E226 WeakPolarHBondContact O-CB 3.41Å; Q223-E226 PolarHBondContact O-N 2.96Å; R224-E226 VanDerWaalsContact C-N 3.34Å; E226-H228 PolarHBondContact O-N 2.83Å; E226-G229 PolarHBondContact O-N 3.49Å; E226-Q230 WeakPolarHBondContact O-CB 3.48Å; E226-Q230 PolarHBondContact O-N 2.76Å
227L96.8Very high94.6Very high16 Ų1669.2 Ų69.28%0.08435%0.353CS..Hα-helixtrans-63.8-40.3177.2-66.2166.1000112.3V209 F211 Q223 R224 R225 G229 Q230 F231 F240V209-L227 HydrophobicContact CG1-CD1 3.61Å; V209-L227 HydrophobicContact CG1-CD2 4.34Å; V209-L227 HydrophobicContact CG2-CD1 4.12Å; V209-L227 HydrophobicContact CG2-CD2 4.11Å; F211-L227 HydrophobicContact CE1-CD1 4.5Å; F211-L227 HydrophobicContact CZ-CD1 4.1Å; Q223-L227 HydrophobicContact CG-CD1 4.49Å; Q223-L227 WeakPolarHBondContact O-CG 3.23Å; Q223-L227 PolarHBondContact O-N 2.8Å; R224-L227 WeakPolarHBondContact O-CB 3.34Å; R224-L227 PolarHBondContact O-N 3.43Å; R225-L227 VanDerWaalsContact C-N 3.35Å; L227-G229 VanDerWaalsContact C-N 3.35Å; L227-G229 PolarHBondContact O-N 3.41Å; L227-Q230 PolarHBondContact O-N 2.95Å; L227-F231 HydrophobicContact CD2-CE2 4.14Å; L227-F231 VanDerWaalsContact O-CD2 3.25Å; L227-F231 WeakPolarHBondContact O-CD2 3.48Å; L227-F231 PolarHBondContact O-N 3.01Å; L227-F240 HydrophobicContact CB-CD2 3.67Å; L227-F240 HydrophobicContact CB-CE1 4.45Å; L227-F240 HydrophobicContact CB-CE2 3.51Å; L227-F240 HydrophobicContact CB-CG 4.2Å; L227-F240 HydrophobicContact CB-CZ 3.95Å; L227-F240 HydrophobicContact CD1-CB 4.19Å; L227-F240 HydrophobicContact CD1-CD1 4.25Å; L227-F240 HydrophobicContact CD1-CD2 4.29Å; L227-F240 HydrophobicContact CD1-CG 4.01Å
228H97.5Very high94.9Very high0 Ų069.1 Ų69.10%035%0.353CS..Hα-helixtrans-57.3-48.3173.2-88.6-127.4000111.7R224 R225 E226 Q230 F231 E232 L233 P234 D235 R237 F239 F240R224-H228 PolarHBondContact O-CD2 2.95Å; R224-H228 PolarHBondContact O-N 3.37Å; R225-H228 PolarHBondContact O-N 3.11Å; E226-H228 PolarHBondContact O-N 2.83Å; H228-Q230 PolarHBondContact O-N 3.28Å; H228-F231 PolarHBondContact O-N 3.19Å; H228-E232 PolarHBondContact O-N 2.99Å; H228-L233 HydrophobicContact CB-CB 4.48Å; H228-L233 PolarHBondContact O-N 3.33Å; H228-P234 PolarHBondContact CE1-O 3.25Å; H228-P234 PolarHBondContact ND1-O 2.95Å; H228-D235 WeakPolarHBondContact CB-OD1 3.24Å; H228-D235 IonicContact CG-OD1 3.43Å; H228-D235 IonicContact ND1-OD1 2.68Å; H228-D235 PolarHBondContact ND1-OD1 3.34Å; H228-R237 PolarHBondContact CE1-O 3.01Å; H228-R237 VanDerWaalsContact CE1-O 3.3Å; H228-F239 AromaticContact CE1-CD2 3.67Å; H228-F239 AromaticContact NE2-CD2 3.83Å; H228-F240 AromaticContact CD2-CD2 3.61Å; H228-F240 AromaticContact CD2-CE2 3.74Å
229G97.1Very high95.3Very high58 Ų5863.6 Ų63.660%0.59833%0.329SS*.Hα-helixtrans-62.2-41.2175.700000112.8R225 E226 L227 F231 E232R225-G229 PolarHBondContact O-N 3.31Å; R225-G229 VanDerWaalsContact O-N 3.09Å; E226-G229 PolarHBondContact O-N 3.49Å; L227-G229 VanDerWaalsContact C-N 3.35Å; L227-G229 PolarHBondContact O-N 3.41Å; G229-F231 VanDerWaalsContact C-N 3.33Å; G229-F231 PolarHBondContact O-N 3.24Å; G229-E232 PolarHBondContact O-N 3.33Å
230Q96.4Very high95.5Very high119 Ų11958.2 Ų58.256%0.55630%0.304SS*.Hα-helixtrans-62.3-37.8178.6-178.4-177.7-8.200112.9E226 L227 H228E226-Q230 WeakPolarHBondContact O-CB 3.48Å; E226-Q230 PolarHBondContact O-N 2.76Å; L227-Q230 PolarHBondContact O-N 2.95Å; H228-Q230 PolarHBondContact O-N 3.28Å
231F96.2Very high95.7Very high36 Ų3659.1 Ų59.116%0.15831%0.306CS..THydrogen-bonded Turntrans-103.611.8-176.5-68-70.5000113.6L200 N204 V207 L227 H228 G229 L233 F240L200-F231 HydrophobicContact CD1-CB 4.03Å; L200-F231 HydrophobicContact CD1-CD1 4Å; L200-F231 HydrophobicContact CD1-CD2 4.08Å; L200-F231 HydrophobicContact CD1-CE1 4.49Å; L200-F231 HydrophobicContact CD1-CG 3.78Å; N204-F231 HydrophobicContact CB-CD1 4.36Å; N204-F231 PolarHBondContact ND2-O 3.17Å; V207-F231 HydrophobicContact CB-CE1 4.42Å; V207-F231 HydrophobicContact CB-CZ 4.11Å; V207-F231 HydrophobicContact CG1-CD1 4.41Å; V207-F231 HydrophobicContact CG1-CE1 3.71Å; V207-F231 HydrophobicContact CG1-CZ 3.91Å; V207-F231 HydrophobicContact CG2-CZ 4.37Å; L227-F231 HydrophobicContact CD2-CE2 4.14Å; L227-F231 VanDerWaalsContact O-CD2 3.25Å; L227-F231 WeakPolarHBondContact O-CD2 3.48Å; L227-F231 PolarHBondContact O-N 3.01Å; H228-F231 PolarHBondContact O-N 3.19Å; G229-F231 VanDerWaalsContact C-N 3.33Å; G229-F231 PolarHBondContact O-N 3.24Å; F231-L233 HydrophobicContact CB-CD1 4.16Å; F231-L233 HydrophobicContact CB-CG 3.9Å; F231-L233 PolarHBondContact O-N 2.84Å; F231-F240 HydrophobicContact CD2-CE1 4.22Å; F231-F240 HydrophobicContact CD2-CE2 4.38Å; F231-F240 AromaticContact CD2-CZ 3.54Å; F231-F240 HydrophobicContact CD2-CZ 3.54Å; F231-F240 HydrophobicContact CE2-CE1 4.35Å; F231-F240 HydrophobicContact CE2-CZ 4.1Å; F231-F240 HydrophobicContact CG-CZ 4.31Å
232E96.2Very high95.7Very high184 Ų18458.2 Ų58.286%0.8630%0.3SS*.THydrogen-bonded Turntrans53.137179.7-57.2-178.8173.800113.3H228 G229H228-E232 PolarHBondContact O-N 2.99Å; G229-E232 PolarHBondContact O-N 3.33Å
233L95.9Very high95.7Very high17 Ų1756.9 Ų56.99%0.08929%0.289CS..  trans-87.5147.8-179.1-59179.7000111.3L200 H228 F231 F239 F240L200-L233 HydrophobicContact CD1-CD1 4.17Å; L200-L233 HydrophobicContact CD2-CD1 3.89Å; H228-L233 HydrophobicContact CB-CB 4.48Å; H228-L233 PolarHBondContact O-N 3.33Å; F231-L233 HydrophobicContact CB-CD1 4.16Å; F231-L233 HydrophobicContact CB-CG 3.9Å; F231-L233 PolarHBondContact O-N 2.84Å; L233-F239 HydrophobicContact CB-CD2 4.18Å; L233-F239 HydrophobicContact CB-CE2 4.12Å; L233-F239 HydrophobicContact CD1-CB 3.83Å; L233-F239 HydrophobicContact CD1-CD1 4.16Å; L233-F239 HydrophobicContact CD1-CD2 3.86Å; L233-F239 HydrophobicContact CD1-CE2 4.37Å; L233-F239 HydrophobicContact CD1-CG 3.71Å; L233-F239 HydrophobicContact CD2-CZ 4.44Å; L233-F240 HydrophobicContact CD1-CE2 3.51Å; L233-F240 HydrophobicContact CD1-CZ 3.65Å
234P94.2Very high95.8Very high58 Ų5856 Ų5638%0.37729%0.285SS..  trans-71.4139.6175.929.8-35.1000111.8H228 N236 F239H228-P234 PolarHBondContact CE1-O 3.25Å; H228-P234 PolarHBondContact ND1-O 2.95Å; P234-N236 WeakPolarHBondContact CB-OD1 3.35Å; P234-N236 WeakPolarHBondContact CG-OD1 3.25Å; P234-N236 PolarHBondContact O-N 2.94Å; P234-F239 HydrophobicContact CG-CE2 4.18Å; P234-F239 HydrophobicContact CG-CZ 4.48Å
235D93.3Very high95.8Very high94 Ų9457.6 Ų57.650%0.50330%0.298SS..THydrogen-bonded Turntrans-80.835.6177-68.8-14.8000113.3H228 I466H228-D235 WeakPolarHBondContact CB-OD1 3.24Å; H228-D235 IonicContact CG-OD1 3.43Å; H228-D235 IonicContact ND1-OD1 2.68Å; H228-D235 PolarHBondContact ND1-OD1 3.34Å; D235-I466 HydrophobicContact CB-CG2 4.05Å
236N91.7Very high95.8Very high81 Ų8153.7 Ų53.743%0.43328%0.284SS..THydrogen-bonded Turntrans-112.1-7-177.270.2-10.1000114.2P234P234-N236 WeakPolarHBondContact CB-OD1 3.35Å; P234-N236 WeakPolarHBondContact CG-OD1 3.25Å; P234-N236 PolarHBondContact O-N 2.94Å
237R94.7Very high95.7Very high72 Ų7250.4 Ų50.427%0.27227%0.269SS..SBendtrans-155.3157.3176.563.4-176.5161.3-167.3-6.1111.8H228 F239 Y316 V465H228-R237 PolarHBondContact CE1-O 3.01Å; H228-R237 VanDerWaalsContact CE1-O 3.3Å; R237-F239 HydrophobicContact CG-CD2 4.07Å; R237-F239 HydrophobicContact CG-CE2 3.51Å; R237-F239 HydrophobicContact CG-CZ 3.94Å; R237-F239 WeakPolarHBondContact O-CD2 3.28Å; R237-Y316 VanDerWaalsContact CB-OH 3.32Å; R237-Y316 WeakPolarHBondContact CB-OH 3.45Å; R237-V465 CarbonylContact C-O 3.55Å; R237-V465 WeakPolarHBondContact CA-O 3.27Å; R237-V465 PolarHBondContact N-O 3.1Å
238P96.6Very high95.5Very high8 Ų849.8 Ų49.85%0.05227%0.265CS..  trans-67.2138172.6-19.533000112.7R241 N244 Y316 V465P238-R241 HydrophobicContact CB-CG 4.13Å; P238-N244 WeakPolarHBondContact CB-OD1 3.43Å; P238-Y316 HydrophobicContact CG-CD1 4.3Å; P238-Y316 HydrophobicContact CG-CE1 4.28Å; P238-V465 WeakPolarHBondContact CD-O 3.37Å; P238-V465 HydrophobicContact CG-CG2 3.88Å
239F96.7Very high95.1Very high23 Ų2353.7 Ų53.710%0.10129%0.29CS..SBendtrans-124.3-26.2167.9-74-86.3000113.5F198 L200 P201 H228 L233 P234 R237 N244F198-F239 WeakPolarHBondContact CD1-O 3.46Å; L200-F239 HydrophobicContact CD2-CB 4.12Å; L200-F239 HydrophobicContact CD2-CD1 4.11Å; L200-F239 HydrophobicContact CD2-CG 4.48Å; P201-F239 HydrophobicContact CG-CE1 3.78Å; P201-F239 HydrophobicContact CG-CZ 4.27Å; H228-F239 AromaticContact CE1-CD2 3.67Å; H228-F239 AromaticContact NE2-CD2 3.83Å; L233-F239 HydrophobicContact CB-CD2 4.18Å; L233-F239 HydrophobicContact CB-CE2 4.12Å; L233-F239 HydrophobicContact CD1-CB 3.83Å; L233-F239 HydrophobicContact CD1-CD1 4.16Å; L233-F239 HydrophobicContact CD1-CD2 3.86Å; L233-F239 HydrophobicContact CD1-CE2 4.37Å; L233-F239 HydrophobicContact CD1-CG 3.71Å; L233-F239 HydrophobicContact CD2-CZ 4.44Å; P234-F239 HydrophobicContact CG-CE2 4.18Å; P234-F239 HydrophobicContact CG-CZ 4.48Å; R237-F239 HydrophobicContact CG-CD2 4.07Å; R237-F239 HydrophobicContact CG-CE2 3.51Å; R237-F239 HydrophobicContact CG-CZ 3.94Å; R237-F239 WeakPolarHBondContact O-CD2 3.28Å; F239-N244 VanDerWaalsContact O-CB 3.29Å; F239-N244 WeakPolarHBondContact O-CB 3.4Å
240F97.1Very high94.6Very high0 Ų054 Ų540%028%0.278CS..SBendtrans-120.620.2-170.4-58.4-74000113.9F198 L200 V207 V209 F211 R224 L227 H228 F231 L233F198-F240 HydrophobicContact CB-CD1 4.33Å; F198-F240 HydrophobicContact CB-CE1 4.44Å; F198-F240 HydrophobicContact CD1-CD1 4.35Å; F198-F240 AromaticContact CD2-CD1 3.95Å; F198-F240 HydrophobicContact CD2-CD1 3.95Å; F198-F240 HydrophobicContact CE2-CD1 4.39Å; F198-F240 AromaticContact CG-CD1 3.93Å; F198-F240 HydrophobicContact CG-CD1 3.93Å; F198-F240 HydrophobicContact CG-CE1 4.49Å; L200-F240 HydrophobicContact CD1-CE1 3.93Å; L200-F240 HydrophobicContact CD1-CZ 3.73Å; L200-F240 HydrophobicContact CD2-CE1 3.8Å; L200-F240 HydrophobicContact CD2-CZ 3.86Å; L200-F240 HydrophobicContact CG-CE1 4.34Å; L200-F240 HydrophobicContact CG-CZ 4.41Å; V207-F240 HydrophobicContact CG2-CE1 4.05Å; V209-F240 HydrophobicContact CG2-CD1 4.02Å; V209-F240 HydrophobicContact CG2-CE1 4.15Å; F211-F240 WeakPolarHBondContact CE2-O 3.3Å; F211-F240 HydrophobicContact CZ-CB 4.3Å; F211-F240 WeakPolarHBondContact CZ-O 3.44Å; R224-F240 VanDerWaalsContact CD-C 3.44Å; R224-F240 WeakPolarHBondContact CD-O 3.11Å; R224-F240 HydrophobicContact CG-CB 3.87Å; L227-F240 HydrophobicContact CB-CD2 3.67Å; L227-F240 HydrophobicContact CB-CE1 4.45Å; L227-F240 HydrophobicContact CB-CE2 3.51Å; L227-F240 HydrophobicContact CB-CG 4.2Å; L227-F240 HydrophobicContact CB-CZ 3.95Å; L227-F240 HydrophobicContact CD1-CB 4.19Å; L227-F240 HydrophobicContact CD1-CD1 4.25Å; L227-F240 HydrophobicContact CD1-CD2 4.29Å; L227-F240 HydrophobicContact CD1-CG 4.01Å; H228-F240 AromaticContact CD2-CD2 3.61Å; H228-F240 AromaticContact CD2-CE2 3.74Å; F231-F240 HydrophobicContact CD2-CE1 4.22Å; F231-F240 HydrophobicContact CD2-CE2 4.38Å; F231-F240 AromaticContact CD2-CZ 3.54Å; F231-F240 HydrophobicContact CD2-CZ 3.54Å; F231-F240 HydrophobicContact CE2-CE1 4.35Å; F231-F240 HydrophobicContact CE2-CZ 4.1Å; F231-F240 HydrophobicContact CG-CZ 4.31Å; L233-F240 HydrophobicContact CD1-CE2 3.51Å; L233-F240 HydrophobicContact CD1-CZ 3.65Å
241R96.4Very high94.2Very high30 Ų3051 Ų5111%0.11327%0.265CS..SBendtrans-77.9157.1169.6-68.7-177.7174.8-135.1-2.4109.8F198 D217 P238 A243 N244 G315 I466F198-R241 VanDerWaalsContact CE1-O 3.31Å; F198-R241 WeakPolarHBondContact CE1-O 3.28Å; D217-R241 HydrophobicContact CB-CG 4.41Å; D217-R241 WeakPolarHBondContact OD2-CB 3.33Å; P238-R241 HydrophobicContact CB-CG 4.13Å; R241-A243 PolarHBondContact O-N 2.94Å; R241-A243 VanDerWaalsContact O-N 3.1Å; R241-N244 WeakPolarHBondContact CB-OD1 3.37Å; R241-N244 PolarHBondContact N-OD1 3.17Å; R241-N244 VanDerWaalsContact N-OD1 3.11Å; R241-N244 WeakPolarHBondContact O-CA 3.41Å; R241-N244 WeakPolarHBondContact O-CB 3.34Å; R241-N244 PolarHBondContact O-N 3.39Å; R241-G315 WeakPolarHBondContact CD-O 3.47Å; R241-G315 PolarHBondContact NE-O 3.36Å; R241-G315 PolarHBondContact NH1-O 2.79Å; R241-I466 PolarHBondContact NE-O 3.21Å; R241-I466 PolarHBondContact NH2-O 2.8Å
242R95.4Very high93.9Very high62 Ų6254.9 Ų54.923%0.23429%0.293CS..G310 helixtrans-57.4-34.1-176.9-69.7-175.8172.785.5-10.3113.3L196 P212 E215 D217 N244 A245L196-R242 HydrophobicContact CD1-CB 4.37Å; L196-R242 HydrophobicContact CD1-CG 3.74Å; P212-R242 PolarHBondContact O-NH2 2.97Å; E215-R242 PolarHBondContact O-NH1 3.3Å; E215-R242 PolarHBondContact O-NH2 2.84Å; D217-R242 IonicContact OD1-CZ 3.23Å; D217-R242 IonicContact OD1-NH1 2.91Å; D217-R242 PolarHBondContact OD1-NH1 2.85Å; D217-R242 PolarHBondContact OD2-N 2.82Å; R242-N244 PolarHBondContact O-N 2.89Å; R242-A245 VanDerWaalsContact O-CB 3.26Å; R242-A245 WeakPolarHBondContact O-CB 3.49Å; R242-A245 PolarHBondContact O-N 2.87Å; R242-A245 VanDerWaalsContact O-N 3.16Å
243A94.6Very high93.7Very high48 Ų4849.4 Ų49.440%0.39727%0.265SS..G310 helixtrans-65.2-22.5175.300000113.8R241 A245 Q312R241-A243 PolarHBondContact O-N 2.94Å; R241-A243 VanDerWaalsContact O-N 3.1Å; A243-A245 VanDerWaalsContact C-N 3.3Å; A243-Q312 VanDerWaalsContact CB-O 3.25Å; A243-Q312 WeakPolarHBondContact CB-O 3.48Å
244N96.2Very high93.5Very high28 Ų2859 Ų5915%0.1531%0.306CS..G310 helixtrans-85.5-0.8176.5-52.9125.8000113.2F198 P238 F239 R241 R242 Y246 Q314F198-N244 HydrophobicContact CD1-CB 4.13Å; F198-N244 WeakPolarHBondContact CD1-O 3.46Å; F198-N244 HydrophobicContact CE1-CB 4.13Å; P238-N244 WeakPolarHBondContact CB-OD1 3.43Å; F239-N244 VanDerWaalsContact O-CB 3.29Å; F239-N244 WeakPolarHBondContact O-CB 3.4Å; R241-N244 WeakPolarHBondContact CB-OD1 3.37Å; R241-N244 PolarHBondContact N-OD1 3.17Å; R241-N244 VanDerWaalsContact N-OD1 3.11Å; R241-N244 WeakPolarHBondContact O-CA 3.41Å; R241-N244 WeakPolarHBondContact O-CB 3.34Å; R241-N244 PolarHBondContact O-N 3.39Å; R242-N244 PolarHBondContact O-N 2.89Å; N244-Y246 PolarHBondContact O-N 2.96Å; N244-Q314 PolarHBondContact ND2-O 2.8Å
245A96.6Very high93.5Very high33 Ų3360 Ų6027%0.27331%0.308SS..SBendtrans-57.2136.2176.700000110.1H197 F198 R242 A243 H247H197-A245 CarbonylContact O-C 3.5Å; H197-A245 VanDerWaalsContact O-CA 3.27Å; H197-A245 WeakPolarHBondContact O-CA 3.49Å; F198-A245 HydrophobicContact CE1-CB 4.34Å; R242-A245 VanDerWaalsContact O-CB 3.26Å; R242-A245 WeakPolarHBondContact O-CB 3.49Å; R242-A245 PolarHBondContact O-N 2.87Å; R242-A245 VanDerWaalsContact O-N 3.16Å; A243-A245 VanDerWaalsContact C-N 3.3Å; A245-H247 PolarHBondContact O-N 2.77Å
246Y95.7Very high93.5Very high43 Ų4357.7 Ų57.717%0.16931%0.307CS..  trans-61.7120.1180-178.4-109.5000109.7I11 H197 L199 L206 N244 F248 P249I11-Y246 HydrophobicContact CD1-CE1 3.9Å; H197-Y246 PolarHBondContact O-N 3.3Å; L199-Y246 HydrophobicContact CB-CD2 3.6Å; L199-Y246 HydrophobicContact CB-CE2 4.2Å; L199-Y246 HydrophobicContact CB-CG 4.27Å; L199-Y246 HydrophobicContact CD2-CD2 4.02Å; L199-Y246 HydrophobicContact CD2-CE2 3.75Å; L199-Y246 HydrophobicContact CG-CD2 4.4Å; L206-Y246 HydrophobicContact CD1-CD1 3.98Å; L206-Y246 HydrophobicContact CD1-CG 3.99Å; N244-Y246 PolarHBondContact O-N 2.96Å; Y246-F248 AromaticContact CD1-CD1 3.83Å; Y246-F248 HydrophobicContact CD1-CD1 3.83Å; Y246-F248 HydrophobicContact CD1-CD2 4.14Å; Y246-F248 AromaticContact CD1-CE1 3.8Å; Y246-F248 HydrophobicContact CD1-CE1 3.8Å; Y246-F248 HydrophobicContact CD1-CE2 4.12Å; Y246-F248 HydrophobicContact CD1-CG 4.02Å; Y246-F248 AromaticContact CD1-CZ 3.96Å; Y246-F248 HydrophobicContact CD1-CZ 3.96Å; Y246-F248 AromaticContact CE1-CD1 3.69Å; Y246-F248 HydrophobicContact CE1-CD1 3.69Å; Y246-F248 AromaticContact CE1-CE1 3.96Å; Y246-F248 HydrophobicContact CE1-CE1 3.96Å; Y246-F248 HydrophobicContact CE1-CG 4.08Å; Y246-P249 WeakPolarHBondContact OH-CD 3.38Å
247H94.1Very high93.7Very high49 Ų4956.2 Ų56.223%0.22730%0.296CS..  trans-85.1113.3172.9-178.282.1000109.1A245 P249 E251 Y253A245-H247 PolarHBondContact O-N 2.77Å; H247-P249 WeakPolarHBondContact O-CD 3.32Å; H247-E251 PolarHBondContact CE1-O 3.34Å; H247-E251 PolarHBondContact NE2-O 2.96Å; H247-Y253 HydrophobicContact CB-CE1 4.47Å; H247-Y253 WeakPolarHBondContact CB-OH 3.45Å; H247-Y253 AromaticContact CD2-CE2 3.34Å; H247-Y253 WeakPolarHBondContact CD2-CE2 3.16Å; H247-Y253 AromaticContact CD2-CZ 3.24Å; H247-Y253 PolarHBondContact CD2-OH 3.13Å; H247-Y253 AromaticContact CE1-CD1 3.91Å; H247-Y253 AromaticContact CE1-CD2 3.82Å; H247-Y253 AromaticContact CE1-CE1 3.76Å; H247-Y253 AromaticContact CE1-CE2 3.67Å; H247-Y253 AromaticContact CE1-CG 3.93Å; H247-Y253 AromaticContact CE1-CZ 3.63Å; H247-Y253 AromaticContact CG-CE1 3.82Å; H247-Y253 AromaticContact CG-CE2 3.96Å; H247-Y253 AromaticContact CG-CZ 3.39Å; H247-Y253 VanDerWaalsContact CG-OH 3.23Å; H247-Y253 AromaticContact ND1-CE1 3.65Å; H247-Y253 AromaticContact ND1-CZ 3.65Å; H247-Y253 AromaticContact NE2-CD2 3.49Å; H247-Y253 WeakPolarHBondContact NE2-CD2 3.46Å; H247-Y253 AromaticContact NE2-CE1 3.99Å; H247-Y253 AromaticContact NE2-CE2 3.09Å; H247-Y253 WeakPolarHBondContact NE2-CE2 3.21Å; H247-Y253 AromaticContact NE2-CZ 3.36Å
248F92.6Very high93.9Very high3 Ų354.5 Ų54.51%0.01329%0.292CS..  trans-69.6126.8-178.7-71.4-88.2000110.4I11 R13 I111 A150 H197 Y246 N250 E251I11-F248 HydrophobicContact CG2-CE1 4.05Å; R13-F248 VanDerWaalsContact CZ-CE2 3.47Å; I111-F248 HydrophobicContact CD1-CB 3.86Å; I111-F248 HydrophobicContact CD1-CD1 4.1Å; I111-F248 HydrophobicContact CD1-CG 4.48Å; A150-F248 HydrophobicContact CB-CE1 4.11Å; A150-F248 HydrophobicContact CB-CZ 3.95Å; H197-F248 HydrophobicContact CB-CE2 4.25Å; H197-F248 HydrophobicContact CB-CZ 4.02Å; H197-F248 AromaticContact CD2-CE2 3.58Å; H197-F248 AromaticContact CD2-CZ 3.52Å; H197-F248 AromaticContact CG-CZ 3.84Å; Y246-F248 AromaticContact CD1-CD1 3.83Å; Y246-F248 HydrophobicContact CD1-CD1 3.83Å; Y246-F248 HydrophobicContact CD1-CD2 4.14Å; Y246-F248 AromaticContact CD1-CE1 3.8Å; Y246-F248 HydrophobicContact CD1-CE1 3.8Å; Y246-F248 HydrophobicContact CD1-CE2 4.12Å; Y246-F248 HydrophobicContact CD1-CG 4.02Å; Y246-F248 AromaticContact CD1-CZ 3.96Å; Y246-F248 HydrophobicContact CD1-CZ 3.96Å; Y246-F248 AromaticContact CE1-CD1 3.69Å; Y246-F248 HydrophobicContact CE1-CD1 3.69Å; Y246-F248 AromaticContact CE1-CE1 3.96Å; Y246-F248 HydrophobicContact CE1-CE1 3.96Å; Y246-F248 HydrophobicContact CE1-CG 4.08Å; F248-N250 WeakPolarHBondContact CB-OD1 3.3Å; F248-N250 PolarHBondContact O-N 2.86Å; F248-E251 HydrophobicContact CB-CG 4.15Å; F248-E251 WeakPolarHBondContact O-CB 3.42Å; F248-E251 PolarHBondContact O-N 3.49Å
249P89.1Confident93.9Very high81 Ų8156 Ų5653%0.52630%0.296SS..THydrogen-bonded Turntrans-50.5-22-178.3-31.226.6000117.8I111 Y246 H247I111-P249 HydrophobicContact CD1-CB 4.13Å; I111-P249 HydrophobicContact CD1-CG 4.14Å; Y246-P249 WeakPolarHBondContact OH-CD 3.38Å; H247-P249 WeakPolarHBondContact O-CD 3.32Å
250N86.1Confident93.9Very high65 Ų6556 Ų5635%0.34830%0.298SS..THydrogen-bonded Turntrans-89.6-1.8178.165.5-14.8000113.7I111 N113 F248I111-N250 HydrophobicContact CD1-CB 4.09Å; I111-N250 WeakPolarHBondContact CD1-OD1 3.47Å; I111-N250 WeakPolarHBondContact CG2-ND2 3.37Å; N113-N250 PolarHBondContact ND2-ND2 2.85Å; F248-N250 WeakPolarHBondContact CB-OD1 3.3Å; F248-N250 PolarHBondContact O-N 2.86Å
251E89.8Confident93.9Very high57 Ų5756.1 Ų56.127%0.26630%0.298SS..SBendtrans-97.7128.2176.5-64.3-172.9151.200109.7R13 R15 H247 F248R13-E251 IonicContact CZ-OE1 3.48Å; R13-E251 IonicContact NH1-OE1 2.68Å; R13-E251 PolarHBondContact NH1-OE1 3.33Å; R13-E251 IonicContact NH1-OE2 3.61Å; R13-E251 IonicContact NH2-OE1 2.9Å; R15-E251 IonicContact NH1-OE1 3.42Å; R15-E251 PolarHBondContact NH1-OE1 2.91Å; R15-E251 VanDerWaalsContact NH1-OE1 3.11Å; H247-E251 PolarHBondContact CE1-O 3.34Å; H247-E251 PolarHBondContact NE2-O 2.96Å; F248-E251 HydrophobicContact CB-CG 4.15Å; F248-E251 WeakPolarHBondContact O-CB 3.42Å; F248-E251 PolarHBondContact O-N 3.49Å
252P89.6Confident94Very high116 Ų11655.2 Ų55.275%0.75330%0.295SS*.PPolyproline II helixtrans-75.4144.7173.729.4-33000110.8K254P252-K254 PolarHBondContact O-N 3.22Å
253Y91.8Very high94Very high69 Ų6956.7 Ų56.727%0.27131%0.311SS..PPolyproline II helixtrans-68.8123.9166.4-71.3-87.7000109.8H247 D255 G256 R259H247-Y253 HydrophobicContact CB-CE1 4.47Å; H247-Y253 WeakPolarHBondContact CB-OH 3.45Å; H247-Y253 AromaticContact CD2-CE2 3.34Å; H247-Y253 WeakPolarHBondContact CD2-CE2 3.16Å; H247-Y253 AromaticContact CD2-CZ 3.24Å; H247-Y253 PolarHBondContact CD2-OH 3.13Å; H247-Y253 AromaticContact CE1-CD1 3.91Å; H247-Y253 AromaticContact CE1-CD2 3.82Å; H247-Y253 AromaticContact CE1-CE1 3.76Å; H247-Y253 AromaticContact CE1-CE2 3.67Å; H247-Y253 AromaticContact CE1-CG 3.93Å; H247-Y253 AromaticContact CE1-CZ 3.63Å; H247-Y253 AromaticContact CG-CE1 3.82Å; H247-Y253 AromaticContact CG-CE2 3.96Å; H247-Y253 AromaticContact CG-CZ 3.39Å; H247-Y253 VanDerWaalsContact CG-OH 3.23Å; H247-Y253 AromaticContact ND1-CE1 3.65Å; H247-Y253 AromaticContact ND1-CZ 3.65Å; H247-Y253 AromaticContact NE2-CD2 3.49Å; H247-Y253 WeakPolarHBondContact NE2-CD2 3.46Å; H247-Y253 AromaticContact NE2-CE1 3.99Å; H247-Y253 AromaticContact NE2-CE2 3.09Å; H247-Y253 WeakPolarHBondContact NE2-CE2 3.21Å; H247-Y253 AromaticContact NE2-CZ 3.36Å; Y253-D255 PolarHBondContact O-N 3.28Å; Y253-G256 PolarHBondContact O-N 2.73Å; Y253-R259 HydrophobicContact CD1-CG 4.17Å; Y253-R259 HydrophobicContact CD2-CG 3.76Å; Y253-R259 HydrophobicContact CE1-CG 3.81Å; Y253-R259 HydrophobicContact CE2-CB 4.01Å; Y253-R259 HydrophobicContact CE2-CG 3.36Å; Y253-R259 HydrophobicContact CG-CG 4.15Å
254K91.5Very high94Very high218 Ų21858.2 Ų58.295%0.94832%0.316SS*.THydrogen-bonded Turntrans-67.8-20.5-176-64.1-177.8-178.9177.30114P252 G256P252-K254 PolarHBondContact O-N 3.22Å; K254-G256 VanDerWaalsContact C-N 3.34Å
255D93.4Very high93.9Very high79 Ų7958.3 Ų58.342%0.42232%0.316SS..THydrogen-bonded Turntrans-84.8-10.318061.118.6000113.4Y253 Y257 R259Y253-D255 PolarHBondContact O-N 3.28Å; D255-Y257 VanDerWaalsContact C-N 3.27Å; D255-Y257 HydrophobicContact CB-CD2 3.78Å; D255-Y257 HydrophobicContact CB-CE2 3.85Å; D255-Y257 VanDerWaalsContact CG-CD2 3.46Å; D255-Y257 PolarHBondContact O-N 3.39Å; D255-Y257 PolarHBondContact OD1-N 3.07Å; D255-R259 IonicContact OD1-CZ 3.32Å; D255-R259 IonicContact OD1-NH1 3.53Å; D255-R259 PolarHBondContact OD1-NH1 3.09Å; D255-R259 IonicContact OD1-NH2 3.8Å; D255-R259 IonicContact OD2-CZ 3.12Å; D255-R259 IonicContact OD2-NH1 3.67Å; D255-R259 PolarHBondContact OD2-NH1 3.43Å; D255-R259 IonicContact OD2-NH2 3.65Å; D255-R259 PolarHBondContact OD2-NH2 3.38Å
256G93.5Very high93.9Very high47 Ų4762.9 Ų62.949%0.48534%0.341SS..  trans80.3-10.2174.600000115.7Y253 K254 E430Y253-G256 PolarHBondContact O-N 2.73Å; K254-G256 VanDerWaalsContact C-N 3.34Å; G256-E430 WeakPolarHBondContact O-CG 3.31Å
257Y97.2Very high93.9Very high49 Ų4964.9 Ų64.919%0.19235%0.351CS..PPolyproline II helixtrans-76.7139-178.7-47.3-83.3000111.8D255 R259 H285 Q289 D290D255-Y257 VanDerWaalsContact C-N 3.27Å; D255-Y257 HydrophobicContact CB-CD2 3.78Å; D255-Y257 HydrophobicContact CB-CE2 3.85Å; D255-Y257 VanDerWaalsContact CG-CD2 3.46Å; D255-Y257 PolarHBondContact O-N 3.39Å; D255-Y257 PolarHBondContact OD1-N 3.07Å; Y257-R259 PolarHBondContact O-N 3.36Å; Y257-R259 PolarHBondContact O-NH1 2.86Å; Y257-H285 AromaticContact CE1-CE1 3.96Å; Y257-H285 AromaticContact CE1-ND1 3.95Å; Y257-H285 AromaticContact CZ-CE1 3.99Å; Y257-Q289 HydrophobicContact CE1-CB 4.45Å; Y257-Q289 HydrophobicContact CE1-CG 4.44Å; Y257-D290 PolarHBondContact OH-OD1 3.43Å
258L97Very high93.9Very high36 Ų3664.1 Ų64.119%0.18835%0.351CS..PPolyproline II helixtrans-63.1137.2172.6-70.9169.9000112.1S283 Y284 E430 L432 I435L258-S283 CarbonylContact O-C 3.42Å; L258-S283 WeakPolarHBondContact O-CA 3.49Å; L258-Y284 PolarHBondContact O-N 3.45Å; L258-E430 HydrophobicContact CD1-CB 4.34Å; L258-E430 HydrophobicContact CG-CB 4.17Å; L258-E430 VanDerWaalsContact CG-OE2 3.31Å; L258-E430 WeakPolarHBondContact CG-OE2 3.45Å; L258-E430 PolarHBondContact N-OE2 2.95Å; L258-E430 VanDerWaalsContact N-OE2 3.1Å; L258-L432 HydrophobicContact CD1-CB 4.35Å; L258-L432 HydrophobicContact CD2-CB 4.33Å; L258-I435 HydrophobicContact CD1-CD1 3.25Å
259R96.9Very high93.8Very high40 Ų4070.8 Ų70.815%0.15139%0.392CS..BIsolated β-bridgetrans-102.5137.6172.9-61.7-45.8-164.4-96.49.4111.2Y253 D255 Y257 I281 Y282Y253-R259 HydrophobicContact CD1-CG 4.17Å; Y253-R259 HydrophobicContact CD2-CG 3.76Å; Y253-R259 HydrophobicContact CE1-CG 3.81Å; Y253-R259 HydrophobicContact CE2-CB 4.01Å; Y253-R259 HydrophobicContact CE2-CG 3.36Å; Y253-R259 HydrophobicContact CG-CG 4.15Å; D255-R259 IonicContact OD1-CZ 3.32Å; D255-R259 IonicContact OD1-NH1 3.53Å; D255-R259 PolarHBondContact OD1-NH1 3.09Å; D255-R259 IonicContact OD1-NH2 3.8Å; D255-R259 IonicContact OD2-CZ 3.12Å; D255-R259 IonicContact OD2-NH1 3.67Å; D255-R259 PolarHBondContact OD2-NH1 3.43Å; D255-R259 IonicContact OD2-NH2 3.65Å; D255-R259 PolarHBondContact OD2-NH2 3.38Å; Y257-R259 PolarHBondContact O-N 3.36Å; Y257-R259 PolarHBondContact O-NH1 2.86Å; R259-I281 HydrophobicContact CB-CG2 4.13Å; R259-I281 HydrophobicContact CG-CG2 4.21Å; R259-Y282 WeakPolarHBondContact CA-O 3.49Å; R259-Y282 WeakPolarHBondContact CD-O 3.3Å
260N97.6Very high93.9Very high24 Ų2467.8 Ų67.813%0.12837%0.371CS..  trans43.850.8171.4-69.131.1000114.4H262 T263 G280 I281 Y282N260-H262 PolarHBondContact O-N 2.78Å; N260-T263 HydrophobicContact CB-CG2 3.8Å; N260-T263 PolarHBondContact O-N 3.33Å; N260-T263 PolarHBondContact O-OG1 2.87Å; N260-G280 PolarHBondContact ND2-O 3.24Å; N260-I281 VanDerWaalsContact OD1-CA 3.26Å; N260-I281 WeakPolarHBondContact OD1-CA 3.44Å; N260-Y282 PolarHBondContact N-O 3.32Å; N260-Y282 VanDerWaalsContact N-O 3.14Å; N260-Y282 PolarHBondContact OD1-N 2.87Å; N260-Y282 PolarHBondContact OD1-O 3.26Å
261P97.7Very high94.1Very high1 Ų169.8 Ų69.81%0.00638%0.382CS..G310 helixtrans-56.1-21.9-177.124.4-36000113.5T263 V264 Y284 L422 L432 I435 C441P261-T263 VanDerWaalsContact C-N 3.27Å; P261-T263 PolarHBondContact O-N 3.3Å; P261-V264 WeakPolarHBondContact O-CG2 3.48Å; P261-Y284 HydrophobicContact CG-CD1 4.38Å; P261-Y284 HydrophobicContact CG-CG 4.46Å; P261-L422 HydrophobicContact CG-CD1 3.71Å; P261-L432 HydrophobicContact CB-CD1 3.68Å; P261-I435 HydrophobicContact CB-CG2 4.41Å; P261-C441 HydrophobicContact CB-CB 4.23Å; P261-C441 HydrophobicContact CG-CB 4.32Å
262H97.8Very high94Very high11 Ų1172.5 Ų72.55%0.05140%0.398CS..G310 helixtrans-64.8-19.9175.874.4-66.2000116N260 V264 L265 Y282 L406 L420N260-H262 PolarHBondContact O-N 2.78Å; H262-V264 PolarHBondContact O-N 2.54Å; H262-L265 HydrophobicContact CB-CD1 4.35Å; H262-L265 WeakPolarHBondContact O-CB 3.41Å; H262-L265 PolarHBondContact O-N 2.76Å; H262-Y282 AromaticContact CE1-CE1 3.58Å; H262-Y282 AromaticContact ND1-CE1 3.61Å; H262-Y282 AromaticContact ND1-CZ 3.6Å; H262-Y282 PolarHBondContact ND1-OH 3.38Å; H262-L406 HydrophobicContact CB-CD1 4.07Å; H262-L420 HydrophobicContact CB-CD1 4.27Å; H262-L420 HydrophobicContact CB-CD2 3.72Å; H262-L420 HydrophobicContact CB-CG 4.4Å
263T95.4Very high94.1Very high93 Ų9368.4 Ų68.457%0.57138%0.378SS*.G310 helixtrans-71-20.2-17354.40000113.5N260 P261 L265N260-T263 HydrophobicContact CB-CG2 3.8Å; N260-T263 PolarHBondContact O-N 3.33Å; N260-T263 PolarHBondContact O-OG1 2.87Å; P261-T263 VanDerWaalsContact C-N 3.27Å; P261-T263 PolarHBondContact O-N 3.3Å; T263-L265 VanDerWaalsContact C-N 3.35Å
264V94.4Very high94.4Very high81 Ų8171.4 Ų71.449%0.49139%0.392SS..G310 helixtrans-90-1.3177.3-55.20000113.1P261 H262 L432 T436P261-V264 WeakPolarHBondContact O-CG2 3.48Å; H262-V264 PolarHBondContact O-N 2.54Å; V264-L432 HydrophobicContact CG1-CD2 4.09Å; V264-L432 HydrophobicContact CG2-CD1 4.21Å; V264-L432 HydrophobicContact CG2-CD2 4.23Å; V264-L432 HydrophobicContact CG2-CG 4.28Å; V264-T436 HydrophobicContact CG2-CG2 3.72Å
265L95.3Very high94.7Very high29 Ų2963.8 Ų63.815%0.15236%0.363CS..SBendtrans-83.6141.7-179-63175.7000111.4H262 T263 L420 T436H262-L265 HydrophobicContact CB-CD1 4.35Å; H262-L265 WeakPolarHBondContact O-CB 3.41Å; H262-L265 PolarHBondContact O-N 2.76Å; T263-L265 VanDerWaalsContact C-N 3.35Å; L265-L420 HydrophobicContact CD1-CD1 3.6Å; L265-T436 HydrophobicContact CD2-CG2 3.83Å; L265-T436 HydrophobicContact CG-CG2 4.49Å
266T95.7Very high94.9Very high130 Ų13062.2 Ų62.280%0.79835%0.352SS*.PPolyproline II helixtrans-72.3130.8166.8-53.20000109.8
267H94.8Very high95.1Very high84 Ų8461.9 Ų61.939%0.38934%0.339SS..PPolyproline II helixtrans-73.6142.5174.7-61.9-50000111.5V275 W443H267-V275 HydrophobicContact CB-CG2 4.14Å; H267-W443 AromaticContact ND1-CE2 3.95Å; H267-W443 AromaticContact ND1-CZ2 3.62Å; H267-W443 AromaticContact ND1-NE1 3.69Å
268P94Very high95.2Very high34 Ų3460 Ų6022%0.22133%0.332CS..PPolyproline II helixtrans-68.6137175.229.7-34.8000109.9L270 A409 R418 W443P268-L270 HydrophobicContact CB-CD2 4.37Å; P268-A409 HydrophobicContact CG-CB 3.57Å; P268-R418 HydrophobicContact CB-CG 4.27Å; P268-R418 HydrophobicContact CG-CB 4.15Å; P268-R418 HydrophobicContact CG-CG 4.14Å; P268-W443 VanDerWaalsContact CD-CD2 3.5Å; P268-W443 HydrophobicContact CG-CD2 3.83Å; P268-W443 HydrophobicContact CG-CE3 4.05Å; P268-W443 HydrophobicContact CG-CG 4.07Å
269T91.8Very high95.2Very high142 Ų14260.4 Ų60.487%0.87133%0.333SS*.  trans-89.1113.1171.3-510000108.4
270L91.4Very high95.1Very high18 Ų1860 Ų609%0.09434%0.342CS..  trans-111.4147.2173.5-49.1-178.8000108.7P268 N272 G273 A409 E416 R418P268-L270 HydrophobicContact CB-CD2 4.37Å; L270-N272 PolarHBondContact O-N 2.85Å; L270-G273 PolarHBondContact O-N 2.92Å; L270-A409 HydrophobicContact CD1-CB 3.89Å; L270-A409 WeakPolarHBondContact CD1-O 3.49Å; L270-A409 HydrophobicContact CG-CB 4.49Å; L270-E416 HydrophobicContact CD1-CG 4.42Å; L270-E416 HydrophobicContact CD2-CG 4.15Å; L270-E416 WeakPolarHBondContact CD2-OE1 2.96Å; L270-R418 HydrophobicContact CD1-CG 4.49Å; L270-R418 HydrophobicContact CD2-CG 4.19Å
271D89.7Confident95.2Very high107 Ų10761.7 Ų61.757%0.57235%0.35SS*.THydrogen-bonded Turntrans-62.5121176.9-176.328000110.7G273 S411 T414D271-G273 PolarHBondContact O-N 2.68Å; D271-S411 VanDerWaalsContact O-CB 3.27Å; D271-S411 WeakPolarHBondContact O-CB 3.31Å; D271-S411 PolarHBondContact O-OG 3.18Å; D271-T414 HydrophobicContact CB-CG2 4.46Å
272N88.4Confident95.2Very high114 Ų11461.7 Ų61.761%0.6135%0.35SS*.THydrogen-bonded Turntrans48.825.1-169.9-69.5-45.1000114.7L270L270-N272 PolarHBondContact O-N 2.85Å
273G91.8Very high95.2Very high31 Ų3161.2 Ų61.232%0.3235%0.348SS..EExtended strand (participates in β ladder)trans-82.5149.4179.400000113.5L270 D271 W410L270-G273 PolarHBondContact O-N 2.92Å; D271-G273 PolarHBondContact O-N 2.68Å; G273-W410 WeakPolarHBondContact CA-O 3.45Å
274K96.5Very high95.4Very high132 Ų13256.9 Ų56.957%0.57432%0.321SS*.EExtended strand (participates in β ladder)trans-119.5147.4173.6-69.3176.3-178173.70110.2Y276 A409 W410K274-Y276 HydrophobicContact CB-CD2 4.31Å; K274-Y276 HydrophobicContact CB-CE2 3.49Å; K274-Y276 VanDerWaalsContact CB-CE2 3.49Å; K274-Y276 WeakPolarHBondContact CD-OH 3.39Å; K274-A409 CarbonylContact O-C 3.57Å; K274-A409 WeakPolarHBondContact O-CA 3.42Å; K274-W410 PolarHBondContact N-O 3.25Å; K274-W410 PolarHBondContact O-N 3.24Å
275V97.7Very high95.6Very high57 Ų5753.1 Ų53.135%0.34530%0.298SS..EExtended strand (participates in β ladder)trans-102.9124.4178.5178.50000108.7H267 L277 A409 W443H267-V275 HydrophobicContact CB-CG2 4.14Å; V275-L277 HydrophobicContact CG1-CD1 4.04Å; V275-L277 HydrophobicContact CG1-CD2 3.69Å; V275-L277 HydrophobicContact CG1-CG 3.72Å; V275-A409 HydrophobicContact CG2-CB 4.04Å; V275-W443 HydrophobicContact CG1-CH2 3.97Å; V275-W443 HydrophobicContact CG1-CZ2 3.95Å
276Y98.3Very high95.8Very high46 Ų4651.9 Ų51.918%0.1829%0.292CS..EExtended strand (participates in β ladder)trans-120.4120.3178.3-56.9-94000108.3K274 A384 M388 G407 V408K274-Y276 HydrophobicContact CB-CD2 4.31Å; K274-Y276 HydrophobicContact CB-CE2 3.49Å; K274-Y276 VanDerWaalsContact CB-CE2 3.49Å; K274-Y276 WeakPolarHBondContact CD-OH 3.39Å; Y276-A384 HydrophobicContact CD1-CB 4.14Å; Y276-A384 HydrophobicContact CD2-CB 3.54Å; Y276-A384 HydrophobicContact CE1-CB 4.23Å; Y276-A384 HydrophobicContact CE2-CB 3.66Å; Y276-A384 HydrophobicContact CG-CB 3.79Å; Y276-M388 HydrophobicContact CD1-CB 4.26Å; Y276-M388 HydrophobicContact CE1-SD 4.47Å; Y276-G407 CarbonylContact O-C 3.57Å; Y276-G407 WeakPolarHBondContact O-CA 2.97Å; Y276-V408 HydrophobicContact CD2-CG2 4.34Å; Y276-V408 PolarHBondContact N-O 3.43Å; Y276-V408 PolarHBondContact O-N 2.9Å
277L98.5Very high95.9Very high41 Ų4145.9 Ų45.922%0.21525%0.254CS..EExtended strand (participates in β ladder)trans-124.4160.5-171.9-57.3175.7000111.5V275 L406 L420 W443V275-L277 HydrophobicContact CG1-CD1 4.04Å; V275-L277 HydrophobicContact CG1-CD2 3.69Å; V275-L277 HydrophobicContact CG1-CG 3.72Å; L277-L406 CarbonylContact C-O 3.46Å; L277-L420 HydrophobicContact CD2-CD2 3.7Å; L277-W443 HydrophobicContact CD2-CH2 3.93Å; L277-W443 HydrophobicContact CD2-CZ2 3.91Å
278V98.5Very high96.1Very high9 Ų946 Ų466%0.05526%0.256CS..  trans-46.8140.3158.863.90000110.1Y282 G391 P393 L406V278-Y282 HydrophobicContact CG1-CD1 4.21Å; V278-Y282 HydrophobicContact CG1-CE1 3.73Å; V278-Y282 HydrophobicContact CG2-CD1 4.27Å; V278-G391 CarbonylContact C-O 3.5Å; V278-G391 WeakPolarHBondContact CA-O 3.48Å; V278-G391 VanDerWaalsContact CG2-O 3.29Å; V278-G391 WeakPolarHBondContact CG2-O 3.09Å; V278-P393 HydrophobicContact CG2-CG 3.91Å; V278-L406 WeakPolarHBondContact CB-O 3.34Å; V278-L406 HydrophobicContact CG1-CB 4.22Å; V278-L406 HydrophobicContact CG1-CD2 4.47Å; V278-L406 PolarHBondContact N-O 2.97Å
279Q97.1Very high96.3Very high45 Ų4545.1 Ų45.121%0.2125%0.249CC..  trans-113.5123.5-179.7-52.71714.500108.4W310 F387 M388 G391Q279-W310 VanDerWaalsContact O-CZ2 3.28Å; Q279-W310 WeakPolarHBondContact O-CZ2 3.45Å; Q279-W310 PolarHBondContact O-NE1 3.03Å; Q279-F387 PolarHBondContact NE2-O 2.81Å; Q279-M388 PolarHBondContact NE2-O 2.8Å; Q279-G391 PolarHBondContact N-O 2.78Å
280G96Very high96.5Very high31 Ų3141.6 Ų41.632%0.3223%0.225SC..SBendtrans106.7-162.9-178.400000113N260 Q314N260-G280 PolarHBondContact ND2-O 3.24Å; G280-Q314 VanDerWaalsContact CA-OE1 3.3Å
281I97.6Very high96.8Very high60 Ų6052.6 Ų52.631%0.30827%0.265SS..  trans-111.9136.7-172.2-51.1176.7000110R259 N260 Q313 Q314R259-I281 HydrophobicContact CB-CG2 4.13Å; R259-I281 HydrophobicContact CG-CG2 4.21Å; N260-I281 VanDerWaalsContact OD1-CA 3.26Å; N260-I281 WeakPolarHBondContact OD1-CA 3.44Å; I281-Q313 HydrophobicContact CB-CB 4.41Å; I281-Q314 PolarHBondContact O-NE2 3.27Å
282Y98.7Very high97.1Very high0 Ų050.6 Ų50.60%025%0.253CS..  trans-140154.6171.465.8-89.8000109.7R259 N260 H262 V278 T306 L406 L422R259-Y282 WeakPolarHBondContact CA-O 3.49Å; R259-Y282 WeakPolarHBondContact CD-O 3.3Å; N260-Y282 PolarHBondContact N-O 3.32Å; N260-Y282 VanDerWaalsContact N-O 3.14Å; N260-Y282 PolarHBondContact OD1-N 2.87Å; N260-Y282 PolarHBondContact OD1-O 3.26Å; H262-Y282 AromaticContact CE1-CE1 3.58Å; H262-Y282 AromaticContact ND1-CE1 3.61Å; H262-Y282 AromaticContact ND1-CZ 3.6Å; H262-Y282 PolarHBondContact ND1-OH 3.38Å; V278-Y282 HydrophobicContact CG1-CD1 4.21Å; V278-Y282 HydrophobicContact CG1-CE1 3.73Å; V278-Y282 HydrophobicContact CG2-CD1 4.27Å; Y282-T306 HydrophobicContact CD2-CG2 3.72Å; Y282-T306 HydrophobicContact CE2-CG2 4.38Å; Y282-T306 HydrophobicContact CG-CG2 4.37Å; Y282-L406 HydrophobicContact CD1-CD2 4.46Å; Y282-L406 HydrophobicContact CE1-CD1 4.47Å; Y282-L406 HydrophobicContact CE1-CD2 3.84Å; Y282-L406 HydrophobicContact CE2-CD1 4.37Å; Y282-L406 HydrophobicContact CE2-CD2 3.98Å; Y282-L406 WeakPolarHBondContact OH-CD1 3.39Å; Y282-L422 HydrophobicContact CD2-CD2 4.38Å; Y282-L422 HydrophobicContact CE2-CD2 3.7Å
283S98.6Very high97.6Very high2 Ų249 Ų491%0.01425%0.245CC..BIsolated β-bridgetrans-93145.9168.539.40000111.6L258 H285 T306 S309 Q313L258-S283 CarbonylContact O-C 3.42Å; L258-S283 WeakPolarHBondContact O-CA 3.49Å; S283-H285 PolarHBondContact O-CD2 2.83Å; S283-H285 PolarHBondContact O-N 3.33Å; S283-H285 PolarHBondContact OG-CD2 3.49Å; S283-H285 PolarHBondContact OG-NE2 2.82Å; S283-T306 PolarHBondContact O-OG1 2.88Å; S283-S309 PolarHBondContact N-OG 2.86Å; S283-S309 PolarHBondContact O-OG 3Å; S283-S309 WeakPolarHBondContact OG-CB 3.19Å; S283-S309 PolarHBondContact OG-OG 3.46Å; S283-S309 VanDerWaalsContact OG-OG 3.11Å; S283-Q313 VanDerWaalsContact N-NE2 3.18Å
284Y98.8Very high97.9Very high1 Ų147.5 Ų47.50%0.00423%0.229CC..  trans-82.2108.5173.5179.6-158.2000110.4L258 P261 H286 Q289 L422 D423 Y426 I435L258-Y284 PolarHBondContact O-N 3.45Å; P261-Y284 HydrophobicContact CG-CD1 4.38Å; P261-Y284 HydrophobicContact CG-CG 4.46Å; Y284-H286 AromaticContact CD1-CD2 3.91Å; Y284-H286 HydrophobicContact CD2-CB 4.34Å; Y284-H286 AromaticContact CE1-CD2 3.8Å; Y284-H286 HydrophobicContact CE2-CB 3.77Å; Y284-Q289 PolarHBondContact O-NE2 3.25Å; Y284-Q289 VanDerWaalsContact O-NE2 3.15Å; Y284-L422 HydrophobicContact CD1-CD1 4.03Å; Y284-L422 HydrophobicContact CD2-CD1 3.52Å; Y284-L422 HydrophobicContact CD2-CD2 3.49Å; Y284-L422 VanDerWaalsContact CD2-CD2 3.49Å; Y284-L422 HydrophobicContact CD2-CG 3.46Å; Y284-L422 VanDerWaalsContact CD2-CG 3.46Å; Y284-L422 HydrophobicContact CE1-CD1 4.08Å; Y284-L422 HydrophobicContact CE2-CD1 3.58Å; Y284-L422 HydrophobicContact CE2-CD2 4.07Å; Y284-L422 HydrophobicContact CE2-CG 3.51Å; Y284-L422 HydrophobicContact CG-CD1 3.74Å; Y284-L422 HydrophobicContact CG-CD2 4.08Å; Y284-L422 HydrophobicContact CG-CG 4.16Å; Y284-D423 WeakPolarHBondContact CE2-O 3.42Å; Y284-D423 PolarHBondContact OH-O 3.21Å; Y284-Y426 HydrophobicContact CE1-CD1 4.36Å; Y284-Y426 VanDerWaalsContact OH-CB 3.28Å; Y284-Y426 WeakPolarHBondContact OH-CB 3.15Å; Y284-I435 HydrophobicContact CD1-CD1 4.01Å; Y284-I435 HydrophobicContact CD1-CG2 4.34Å; Y284-I435 HydrophobicContact CE1-CD1 3.8Å; Y284-I435 HydrophobicContact CE1-CG1 4.05Å; Y284-I435 HydrophobicContact CE1-CG2 3.81Å
285H98.8Very high97.9Very high3 Ų345.6 Ų45.61%0.01423%0.225CC..  trans-98.5130.5171.5-65.8-92.5000110.5Y257 S283 R302 Q305 T306Y257-H285 AromaticContact CE1-CE1 3.96Å; Y257-H285 AromaticContact CE1-ND1 3.95Å; Y257-H285 AromaticContact CZ-CE1 3.99Å; S283-H285 PolarHBondContact O-CD2 2.83Å; S283-H285 PolarHBondContact O-N 3.33Å; S283-H285 PolarHBondContact OG-CD2 3.49Å; S283-H285 PolarHBondContact OG-NE2 2.82Å; H285-R302 WeakPolarHBondContact CB-O 3.37Å; H285-Q305 HydrophobicContact CB-CB 3.68Å; H285-T306 PolarHBondContact N-OG1 3.33Å
286H98.8Very high97.9Very high2 Ų246 Ų461%0.00924%0.241CC..  trans-147.4175.7-176.365.475.7000111.8Y284 Q289 R302 P424 Y426 G428 E430Y284-H286 AromaticContact CD1-CD2 3.91Å; Y284-H286 HydrophobicContact CD2-CB 4.34Å; Y284-H286 AromaticContact CE1-CD2 3.8Å; Y284-H286 HydrophobicContact CE2-CB 3.77Å; H286-Q289 PolarHBondContact CD2-NE2 2.84Å; H286-Q289 PolarHBondContact NE2-NE2 3.3Å; H286-Q289 WeakPolarHBondContact O-CG 3.48Å; H286-Q289 PolarHBondContact O-OE1 2.8Å; H286-R302 WeakPolarHBondContact O-CD 3.28Å; H286-R302 VanDerWaalsContact O-CZ 3.29Å; H286-R302 PolarHBondContact O-NE 3.34Å; H286-P424 CarbonylContact C-O 3.58Å; H286-P424 WeakPolarHBondContact CA-O 3.48Å; H286-P424 WeakPolarHBondContact CB-O 3.39Å; H286-Y426 WeakPolarHBondContact CB-O 3.41Å; H286-Y426 AromaticContact CD2-CD1 3.81Å; H286-Y426 AromaticContact CE1-CD1 3.59Å; H286-Y426 AromaticContact CE1-CE1 3.97Å; H286-Y426 AromaticContact CG-CD1 3.9Å; H286-Y426 AromaticContact ND1-CD1 3.77Å; H286-Y426 PolarHBondContact ND1-O 3.21Å; H286-Y426 AromaticContact NE2-CD1 3.58Å; H286-Y426 AromaticContact NE2-CE1 3.91Å; H286-G428 PolarHBondContact CE1-O 2.96Å; H286-E430 IonicContact CD2-OE1 3.72Å; H286-E430 IonicContact CE1-OE1 3.71Å; H286-E430 IonicContact NE2-OE1 3.88Å; H286-E430 PolarHBondContact NE2-OE1 3.23Å; H286-E430 VanDerWaalsContact NE2-OE1 3.12Å
287Y98.8Very high97.8Very high4 Ų444.7 Ų44.72%0.01624%0.236CC..THydrogen-bonded Turntrans-56153.4-178.9-71.8-14.9000113.8Q289 D294 N295 C299 R302 P424 H425 Y426 T427Y287-Q289 PolarHBondContact O-N 2.98Å; Y287-D294 WeakPolarHBondContact CA-OD1 3.46Å; Y287-D294 WeakPolarHBondContact CD1-OD2 3.37Å; Y287-D294 VanDerWaalsContact CE1-O 3.3Å; Y287-D294 WeakPolarHBondContact CE1-O 3.37Å; Y287-N295 HydrophobicContact CD2-CB 4.19Å; Y287-N295 WeakPolarHBondContact CE2-OD1 3.39Å; Y287-C299 HydrophobicContact CE1-CB 4.32Å; Y287-C299 WeakPolarHBondContact OH-CB 3.36Å; Y287-C299 PolarHBondContact OH-N 3.05Å; Y287-R302 HydrophobicContact CD1-CG 4.11Å; Y287-R302 HydrophobicContact CE1-CG 4.5Å; Y287-P424 PolarHBondContact N-O 3.49Å; Y287-H425 HydrophobicContact CD2-CB 4.23Å; Y287-H425 HydrophobicContact CE2-CB 4Å; Y287-H425 AromaticContact CE2-CD2 3.61Å; Y287-H425 AromaticContact CZ-CD2 3.72Å; Y287-H425 PolarHBondContact OH-CD2 3.43Å; Y287-Y426 WeakPolarHBondContact CB-O 3.49Å; Y287-Y426 PolarHBondContact N-O 3.13Å; Y287-Y426 VanDerWaalsContact N-O 3.16Å; Y287-T427 HydrophobicContact CD2-CG2 4.2Å
288M98.1Very high97.8Very high88 Ų8842.7 Ų42.743%0.43323%0.226SC..THydrogen-bonded Turntrans68.95175.5-46.7-55.1-67.900115.3M292 D293 D294 N295 T427M288-M292 WeakPolarHBondContact CA-O 3.48Å; M288-D293 HydrophobicContact CE-CB 4.02Å; M288-D293 HydrophobicContact SD-CB 4.27Å; M288-D293 VanDerWaalsContact SD-OD1 3.4Å; M288-D294 PolarHBondContact N-OD1 2.89Å; M288-D294 VanDerWaalsContact N-OD1 3.16Å; M288-N295 HydrophobicContact SD-CB 4.22Å; M288-T427 HydrophobicContact CG-CG2 4.08Å
289Q98.2Very high97.8Very high14 Ų1442.4 Ų42.47%0.06522%0.224CC..G310 helixtrans-76.2163.4170-69.8176.2-24.500111.6Y257 Y284 H286 Y287 R291 M292 R302 E430Y257-Q289 HydrophobicContact CE1-CB 4.45Å; Y257-Q289 HydrophobicContact CE1-CG 4.44Å; Y284-Q289 PolarHBondContact O-NE2 3.25Å; Y284-Q289 VanDerWaalsContact O-NE2 3.15Å; H286-Q289 PolarHBondContact CD2-NE2 2.84Å; H286-Q289 PolarHBondContact NE2-NE2 3.3Å; H286-Q289 WeakPolarHBondContact O-CG 3.48Å; H286-Q289 PolarHBondContact O-OE1 2.8Å; Y287-Q289 PolarHBondContact O-N 2.98Å; Q289-R291 PolarHBondContact O-N 2.8Å; Q289-R291 VanDerWaalsContact O-N 3.11Å; Q289-M292 PolarHBondContact O-N 2.84Å; Q289-R302 PolarHBondContact O-NH2 3.38Å; Q289-E430 PolarHBondContact NE2-OE1 3.46Å
290D96.9Very high97.9Very high68 Ų6840.3 Ų40.336%0.36421%0.214SC..G310 helixtrans60.921.3173-42.9-46.1000115Y257 M292 R302Y257-D290 PolarHBondContact OH-OD1 3.43Å; D290-M292 PolarHBondContact O-N 3.43Å; D290-R302 IonicContact OD2-CZ 3.84Å; D290-R302 IonicContact OD2-NH1 3.99Å; D290-R302 PolarHBondContact OD2-NH1 3.11Å
291R96.5Very high98Very high250 Ų25038.9 Ų38.994%0.94320%0.199SC*.G310 helixtrans6029.4-173.2-53.1174.7-69.4-85.5-3.6112.8Q289Q289-R291 PolarHBondContact O-N 2.8Å; Q289-R291 VanDerWaalsContact O-N 3.11Å
292M97.2Very high98.1Very high64 Ų6436 Ų3632%0.31519%0.185SC..  trans-109.9120.3176.2-168.468.4-172.900110.3M288 Q289 D290 D294 W297M288-M292 WeakPolarHBondContact CA-O 3.48Å; Q289-M292 PolarHBondContact O-N 2.84Å; D290-M292 PolarHBondContact O-N 3.43Å; M292-D294 HydrophobicContact CG-CB 4.08Å; M292-D294 PolarHBondContact O-N 3.18Å; M292-W297 HydrophobicContact CE-CH2 3.7Å; M292-W297 HydrophobicContact CE-CZ2 3.38Å
293D98Very high98.1Very high81 Ų8136 Ų3643%0.43319%0.185SC..  trans-82.788.9166-1773.9000109M288 N295M288-D293 HydrophobicContact CE-CB 4.02Å; M288-D293 HydrophobicContact SD-CB 4.27Å; M288-D293 VanDerWaalsContact SD-OD1 3.4Å; D293-N295 WeakPolarHBondContact OD1-CB 3.33Å; D293-N295 PolarHBondContact OD1-N 2.87Å
294D98.1Very high98.1Very high0 Ų035.9 Ų35.90%018%0.184CC..  trans-103.815.417868.1-46.4000113.5Y287 M288 M292 G296 W297 G298 R302 H324Y287-D294 WeakPolarHBondContact CA-OD1 3.46Å; Y287-D294 WeakPolarHBondContact CD1-OD2 3.37Å; Y287-D294 VanDerWaalsContact CE1-O 3.3Å; Y287-D294 WeakPolarHBondContact CE1-O 3.37Å; M288-D294 PolarHBondContact N-OD1 2.89Å; M288-D294 VanDerWaalsContact N-OD1 3.16Å; M292-D294 HydrophobicContact CG-CB 4.08Å; M292-D294 PolarHBondContact O-N 3.18Å; D294-G296 PolarHBondContact O-N 3.02Å; D294-W297 HydrophobicContact CB-CZ2 3.89Å; D294-W297 PolarHBondContact O-N 3.35Å; D294-G298 PolarHBondContact O-N 2.93Å; D294-R302 IonicContact OD1-CZ 2.94Å; D294-R302 IonicContact OD1-NE 3.9Å; D294-R302 PolarHBondContact OD1-NE 3.29Å; D294-R302 IonicContact OD1-NH2 2.76Å; D294-R302 PolarHBondContact OD1-NH2 3.09Å; D294-R302 WeakPolarHBondContact OD2-CD 3.32Å; D294-R302 WeakPolarHBondContact OD2-CG 3.44Å; D294-R302 IonicContact OD2-CZ 2.73Å; D294-R302 IonicContact OD2-NE 2.66Å; D294-R302 PolarHBondContact OD2-NE 3.36Å; D294-R302 IonicContact OD2-NH2 3.43Å; D294-R302 PolarHBondContact OD2-NH2 2.88Å; D294-H324 IonicContact OD2-CE1 3.8Å; D294-H324 IonicContact OD2-NE2 3.38Å; D294-H324 PolarHBondContact OD2-NE2 2.93Å
295N97.5Very high98.1Very high91 Ų9136 Ų3649%0.48718%0.184SC..THydrogen-bonded Turntrans-61.2126.4179.5-169.79.1000110.8Y287 M288 D293Y287-N295 HydrophobicContact CD2-CB 4.19Å; Y287-N295 WeakPolarHBondContact CE2-OD1 3.39Å; M288-N295 HydrophobicContact SD-CB 4.22Å; D293-N295 WeakPolarHBondContact OD1-CB 3.33Å; D293-N295 PolarHBondContact OD1-N 2.87Å
296G96.4Very high98.1Very high66 Ų6635.9 Ų35.968%0.6818%0.184SC*.THydrogen-bonded Turntrans88.6-3.6179.600000116D294D294-G296 PolarHBondContact O-N 3.02Å
297W97.6Very high98.1Very high18 Ų1835.8 Ų35.87%0.06818%0.184CC..THydrogen-bonded Turntrans-147-14.4178.867.1-83.7000115.5M292 D294 Y301 H324 R345M292-W297 HydrophobicContact CE-CH2 3.7Å; M292-W297 HydrophobicContact CE-CZ2 3.38Å; D294-W297 HydrophobicContact CB-CZ2 3.89Å; D294-W297 PolarHBondContact O-N 3.35Å; W297-Y301 HydrophobicContact CE3-CD2 4.38Å; W297-Y301 AromaticContact CE3-CE2 3.87Å; W297-Y301 HydrophobicContact CE3-CE2 3.87Å; W297-Y301 HydrophobicContact CZ3-CD2 4.26Å; W297-Y301 AromaticContact CZ3-CE2 3.76Å; W297-Y301 HydrophobicContact CZ3-CE2 3.76Å; W297-Y301 AromaticContact CZ3-CZ 3.97Å; W297-H324 HydrophobicContact CH2-CB 4.36Å; W297-H324 AromaticContact CH2-CD2 3.86Å; W297-R345 WeakPolarHBondContact CB-O 3.47Å; W297-R345 HydrophobicContact CD2-CB 3.74Å; W297-R345 HydrophobicContact CD2-CG 4.33Å; W297-R345 VanDerWaalsContact CE3-C 3.42Å; W297-R345 HydrophobicContact CE3-CB 4.31Å; W297-R345 HydrophobicContact CG-CB 3.95Å; W297-R345 VanDerWaalsContact CG-O 3.29Å; W297-R345 HydrophobicContact CZ2-CB 4.2Å; W297-R345 HydrophobicContact CZ2-CG 3.91Å
298G98.3Very high98.1Very high0 Ų035.9 Ų35.90%018%0.184CC..  trans-86.1-3-173.800000116.1D294 A300 Y301 R302D294-G298 PolarHBondContact O-N 2.93Å; G298-A300 VanDerWaalsContact C-N 3.31Å; G298-A300 PolarHBondContact O-N 3.37Å; G298-Y301 WeakPolarHBondContact O-CA 3.31Å; G298-Y301 VanDerWaalsContact O-CB 3.28Å; G298-Y301 WeakPolarHBondContact O-CB 3.49Å; G298-Y301 PolarHBondContact O-N 3.43Å; G298-R302 PolarHBondContact O-N 3.25Å
299C98.3Very high98.2Very high3 Ų331.7 Ų31.72%0.0216%0.164CC..Hα-helixtrans-56.3-43.4-163.452.90000113.1Y287 R302 S303 V400 A402 P424 H425Y287-C299 HydrophobicContact CE1-CB 4.32Å; Y287-C299 WeakPolarHBondContact OH-CB 3.36Å; Y287-C299 PolarHBondContact OH-N 3.05Å; C299-R302 PolarHBondContact O-N 2.69Å; C299-S303 PolarHBondContact O-N 3.01Å; C299-V400 PolarHBondContact SG-O 2.82Å; C299-A402 HydrophobicContact CB-CB 4.09Å; C299-A402 PolarHBondContact SG-N 3.02Å; C299-A402 VanDerWaalsContact SG-N 3.39Å; C299-P424 HydrophobicContact CB-CG 3.9Å; C299-P424 WeakPolarHBondContact O-CG 3.29Å; C299-H425 VanDerWaalsContact CB-NE2 3.32Å; C299-H425 WeakPolarHBondContact CB-NE2 3.5Å
300A98.6Very high98.2Very high1 Ų131 Ų311%0.00816%0.161CC..Hα-helixtrans-70.9-32.2177.200000112.9G298 L304 I348 V353 M395 A402G298-A300 VanDerWaalsContact C-N 3.31Å; G298-A300 PolarHBondContact O-N 3.37Å; A300-L304 VanDerWaalsContact O-CB 3.3Å; A300-L304 WeakPolarHBondContact O-CB 3.31Å; A300-L304 PolarHBondContact O-N 3.06Å; A300-I348 HydrophobicContact CB-CD1 4.4Å; A300-I348 HydrophobicContact CB-CG1 3.58Å; A300-I348 WeakPolarHBondContact CB-O 3.34Å; A300-V353 HydrophobicContact CB-CG2 4.45Å; A300-M395 HydrophobicContact CB-CE 3.46Å; A300-M395 VanDerWaalsContact CB-CE 3.46Å; A300-A402 HydrophobicContact CB-CB 3.93Å
301Y98.9Very high98.3Very high0 Ų027.8 Ų27.80%014%0.143CC..Hα-helixtrans-63.8-45.5173.6-64.3-98.7000110.7W297 G298 L304 Q305 H324 I327 Q328 Q346 I348W297-Y301 HydrophobicContact CE3-CD2 4.38Å; W297-Y301 AromaticContact CE3-CE2 3.87Å; W297-Y301 HydrophobicContact CE3-CE2 3.87Å; W297-Y301 HydrophobicContact CZ3-CD2 4.26Å; W297-Y301 AromaticContact CZ3-CE2 3.76Å; W297-Y301 HydrophobicContact CZ3-CE2 3.76Å; W297-Y301 AromaticContact CZ3-CZ 3.97Å; G298-Y301 WeakPolarHBondContact O-CA 3.31Å; G298-Y301 VanDerWaalsContact O-CB 3.28Å; G298-Y301 WeakPolarHBondContact O-CB 3.49Å; G298-Y301 PolarHBondContact O-N 3.43Å; Y301-L304 WeakPolarHBondContact O-CB 3.38Å; Y301-L304 PolarHBondContact O-N 2.92Å; Y301-Q305 VanDerWaalsContact O-CG 3.31Å; Y301-Q305 WeakPolarHBondContact O-CG 3.38Å; Y301-Q305 PolarHBondContact O-N 2.77Å; Y301-H324 HydrophobicContact CD1-CB 4.07Å; Y301-H324 AromaticContact CD1-CD2 3.84Å; Y301-H324 HydrophobicContact CE1-CB 4.33Å; Y301-H324 AromaticContact CG-CD2 3.6Å; Y301-I327 HydrophobicContact CD1-CB 3.91Å; Y301-I327 HydrophobicContact CD1-CD1 3.83Å; Y301-I327 HydrophobicContact CD1-CG1 4.48Å; Y301-I327 HydrophobicContact CD1-CG2 3.61Å; Y301-I327 HydrophobicContact CE1-CB 4.05Å; Y301-I327 HydrophobicContact CE1-CG2 3.62Å; Y301-Q328 HydrophobicContact CE1-CG 3.92Å; Y301-Q328 PolarHBondContact OH-NE2 3.06Å; Y301-Q346 WeakPolarHBondContact CE2-O 3.37Å; Y301-Q346 PolarHBondContact OH-O 3.17Å; Y301-I348 HydrophobicContact CD1-CD1 4.08Å; Y301-I348 HydrophobicContact CD2-CD1 4.22Å; Y301-I348 HydrophobicContact CD2-CG1 4.07Å; Y301-I348 HydrophobicContact CE1-CD1 4.05Å; Y301-I348 HydrophobicContact CE1-CG2 4.48Å; Y301-I348 HydrophobicContact CE2-CB 4.48Å; Y301-I348 HydrophobicContact CE2-CD1 4.21Å; Y301-I348 HydrophobicContact CE2-CG1 3.9Å; Y301-I348 HydrophobicContact CE2-CG2 4.08Å; Y301-I348 HydrophobicContact CG-CD1 4.18Å
302R98.8Very high98.3Very high0 Ų018.8 Ų18.80%011%0.112CC..Hα-helixtrans-66.8-38.8178.3-62.6-51.7-174.1171.98.7112.7H285 H286 Y287 Q289 D290 D294 G298 C299 Q305 T306 H324 P424H285-R302 WeakPolarHBondContact CB-O 3.37Å; H286-R302 WeakPolarHBondContact O-CD 3.28Å; H286-R302 VanDerWaalsContact O-CZ 3.29Å; H286-R302 PolarHBondContact O-NE 3.34Å; Y287-R302 HydrophobicContact CD1-CG 4.11Å; Y287-R302 HydrophobicContact CE1-CG 4.5Å; Q289-R302 PolarHBondContact O-NH2 3.38Å; D290-R302 IonicContact OD2-CZ 3.84Å; D290-R302 IonicContact OD2-NH1 3.99Å; D290-R302 PolarHBondContact OD2-NH1 3.11Å; D294-R302 IonicContact OD1-CZ 2.94Å; D294-R302 IonicContact OD1-NE 3.9Å; D294-R302 PolarHBondContact OD1-NE 3.29Å; D294-R302 IonicContact OD1-NH2 2.76Å; D294-R302 PolarHBondContact OD1-NH2 3.09Å; D294-R302 WeakPolarHBondContact OD2-CD 3.32Å; D294-R302 WeakPolarHBondContact OD2-CG 3.44Å; D294-R302 IonicContact OD2-CZ 2.73Å; D294-R302 IonicContact OD2-NE 2.66Å; D294-R302 PolarHBondContact OD2-NE 3.36Å; D294-R302 IonicContact OD2-NH2 3.43Å; D294-R302 PolarHBondContact OD2-NH2 2.88Å; G298-R302 PolarHBondContact O-N 3.25Å; C299-R302 PolarHBondContact O-N 2.69Å; R302-Q305 PolarHBondContact O-N 3.03Å; R302-T306 PolarHBondContact O-N 2.95Å; R302-T306 PolarHBondContact O-OG1 2.93Å; R302-T306 VanDerWaalsContact O-OG1 3.12Å; R302-H324 PolarHBondContact NH2-CE1 2.9Å; R302-P424 HydrophobicContact CB-CB 3.62Å; R302-P424 HydrophobicContact CG-CB 4.49Å
303S98.9Very high98.3Very high0 Ų017 Ų170%010%0.103CC..Hα-helixtrans-62.1-43.7171-173.30000111.9C299 Q305 T306 I307 M395 T404C299-S303 PolarHBondContact O-N 3.01Å; S303-Q305 PolarHBondContact O-N 2.99Å; S303-T306 WeakPolarHBondContact O-CB 3.37Å; S303-T306 PolarHBondContact O-N 2.92Å; S303-I307 WeakPolarHBondContact O-CG1 3.31Å; S303-I307 PolarHBondContact O-N 2.83Å; S303-M395 WeakPolarHBondContact OG-CB 3.49Å; S303-M395 WeakPolarHBondContact OG-CG 3.31Å; S303-T404 WeakPolarHBondContact CB-OG1 3.47Å; S303-T404 PolarHBondContact OG-OG1 3.18Å
304L98.9Very high98.2Very high0 Ų014.8 Ų14.80%09%0.09CC..Hα-helixtrans-61.5-42.6173.9171.159.6000112.1A300 Y301 T306 I307 C308 I327 V353 V356 L357A300-L304 VanDerWaalsContact O-CB 3.3Å; A300-L304 WeakPolarHBondContact O-CB 3.31Å; A300-L304 PolarHBondContact O-N 3.06Å; Y301-L304 WeakPolarHBondContact O-CB 3.38Å; Y301-L304 PolarHBondContact O-N 2.92Å; L304-T306 VanDerWaalsContact C-N 3.31Å; L304-T306 PolarHBondContact O-N 2.89Å; L304-I307 WeakPolarHBondContact O-CB 3.41Å; L304-I307 PolarHBondContact O-N 3.03Å; L304-I307 VanDerWaalsContact O-N 3.13Å; L304-C308 PolarHBondContact O-N 2.83Å; L304-C308 PolarHBondContact O-SG 2.92Å; L304-I327 HydrophobicContact CD2-CB 4.49Å; L304-I327 HydrophobicContact CD2-CD1 3.84Å; L304-I327 HydrophobicContact CD2-CG1 3.89Å; L304-I327 HydrophobicContact CD2-CG2 3.76Å; L304-I327 HydrophobicContact CG-CD1 4.35Å; L304-V353 HydrophobicContact CB-CG1 4.37Å; L304-V353 HydrophobicContact CB-CG2 4.26Å; L304-V353 HydrophobicContact CD1-CG1 4.09Å; L304-V356 HydrophobicContact CD2-CB 3.98Å; L304-V356 HydrophobicContact CD2-CG1 3.75Å; L304-L357 HydrophobicContact CD1-CD1 4.32Å; L304-L357 HydrophobicContact CD1-CD2 3.53Å; L304-L357 HydrophobicContact CD1-CG 3.6Å
305Q98.9Very high98.2Very high3 Ų315 Ų151%0.0149%0.092CC..Hα-helixtrans-60.4-41.3175.3-74.1179.2-28.900111.9H285 Y301 R302 S303 I307 C308 S309 V321 P322 I327H285-Q305 HydrophobicContact CB-CB 3.68Å; Y301-Q305 VanDerWaalsContact O-CG 3.31Å; Y301-Q305 WeakPolarHBondContact O-CG 3.38Å; Y301-Q305 PolarHBondContact O-N 2.77Å; R302-Q305 PolarHBondContact O-N 3.03Å; S303-Q305 PolarHBondContact O-N 2.99Å; Q305-I307 VanDerWaalsContact C-N 3.35Å; Q305-I307 PolarHBondContact O-N 3.24Å; Q305-C308 PolarHBondContact O-N 2.85Å; Q305-S309 WeakPolarHBondContact O-CB 3.46Å; Q305-S309 PolarHBondContact O-N 2.85Å; Q305-V321 HydrophobicContact CB-CG1 3.55Å; Q305-V321 HydrophobicContact CG-CG1 3.62Å; Q305-P322 WeakPolarHBondContact CG-O 3.22Å; Q305-P322 PolarHBondContact NE2-O 3.11Å; Q305-I327 HydrophobicContact CG-CD1 4.34Å
306T98.9Very high98.1Very high1 Ų111.7 Ų11.71%0.0067%0.072CC..Hα-helixtrans-58-45.8172.2-62.50000111.3Y282 S283 H285 R302 S303 L304 S309 W310 T404 L422Y282-T306 HydrophobicContact CD2-CG2 3.72Å; Y282-T306 HydrophobicContact CE2-CG2 4.38Å; Y282-T306 HydrophobicContact CG-CG2 4.37Å; S283-T306 PolarHBondContact O-OG1 2.88Å; H285-T306 PolarHBondContact N-OG1 3.33Å; R302-T306 PolarHBondContact O-N 2.95Å; R302-T306 PolarHBondContact O-OG1 2.93Å; R302-T306 VanDerWaalsContact O-OG1 3.12Å; S303-T306 WeakPolarHBondContact O-CB 3.37Å; S303-T306 PolarHBondContact O-N 2.92Å; L304-T306 VanDerWaalsContact C-N 3.31Å; L304-T306 PolarHBondContact O-N 2.89Å; T306-S309 PolarHBondContact O-N 2.85Å; T306-S309 PolarHBondContact O-OG 2.84Å; T306-W310 PolarHBondContact O-N 3.24Å; T306-T404 HydrophobicContact CG2-CG2 4.27Å; T306-L422 HydrophobicContact CG2-CD2 4.02Å
307I98.9Very high98Very high0 Ų09.5 Ų9.50%05%0.046CC..Hα-helixtrans-63-47.9175.8-66.5166.6000111.3S303 L304 Q305 S309 W310 F311 L357 P393 M395 P460S303-I307 WeakPolarHBondContact O-CG1 3.31Å; S303-I307 PolarHBondContact O-N 2.83Å; L304-I307 WeakPolarHBondContact O-CB 3.41Å; L304-I307 PolarHBondContact O-N 3.03Å; L304-I307 VanDerWaalsContact O-N 3.13Å; Q305-I307 VanDerWaalsContact C-N 3.35Å; Q305-I307 PolarHBondContact O-N 3.24Å; I307-S309 VanDerWaalsContact C-N 3.27Å; I307-S309 PolarHBondContact O-N 3.45Å; I307-W310 WeakPolarHBondContact O-CB 3Å; I307-W310 PolarHBondContact O-N 2.93Å; I307-F311 HydrophobicContact CG2-CD2 3.88Å; I307-F311 HydrophobicContact CG2-CE2 3.68Å; I307-F311 WeakPolarHBondContact O-CD2 3.28Å; I307-F311 PolarHBondContact O-N 3.27Å; I307-F311 VanDerWaalsContact O-N 3.17Å; I307-L357 HydrophobicContact CG2-CD1 3.99Å; I307-L357 HydrophobicContact CG2-CD2 3.69Å; I307-P393 HydrophobicContact CG1-CB 4.08Å; I307-M395 HydrophobicContact CD1-CB 3.76Å; I307-P460 HydrophobicContact CD1-CG 4.12Å; I307-P460 HydrophobicContact CG1-CG 4.49Å; I307-P460 HydrophobicContact CG2-CB 4.31Å; I307-P460 HydrophobicContact CG2-CG 3.67Å
308C98.8Very high97.7Very high5 Ų514.4 Ų14.43%0.0347%0.07CC..Hα-helixtrans-57.8-41.7177.7-69.60000111.4L304 Q305 W310 F311 Q312 V321 L361L304-C308 PolarHBondContact O-N 2.83Å; L304-C308 PolarHBondContact O-SG 2.92Å; Q305-C308 PolarHBondContact O-N 2.85Å; C308-W310 VanDerWaalsContact C-N 3.25Å; C308-W310 PolarHBondContact O-N 2.64Å; C308-F311 PolarHBondContact O-N 3.04Å; C308-Q312 WeakPolarHBondContact O-CB 3.47Å; C308-Q312 PolarHBondContact O-N 3.33Å; C308-V321 HydrophobicContact CB-CG1 4.42Å; C308-L361 HydrophobicContact CB-CD1 4.24Å
309S98.7Very high97.5Very high0 Ų019.2 Ų19.20%09%0.088CC..Hα-helixtrans-62.3-33.7177.384.30000112.7S283 Q305 T306 I307 Q313S283-S309 PolarHBondContact N-OG 2.86Å; S283-S309 PolarHBondContact O-OG 3Å; S283-S309 WeakPolarHBondContact OG-CB 3.19Å; S283-S309 PolarHBondContact OG-OG 3.46Å; S283-S309 VanDerWaalsContact OG-OG 3.11Å; Q305-S309 WeakPolarHBondContact O-CB 3.46Å; Q305-S309 PolarHBondContact O-N 2.85Å; T306-S309 PolarHBondContact O-N 2.85Å; T306-S309 PolarHBondContact O-OG 2.84Å; I307-S309 VanDerWaalsContact C-N 3.27Å; I307-S309 PolarHBondContact O-N 3.45Å; S309-Q313 VanDerWaalsContact O-CB 3.28Å; S309-Q313 WeakPolarHBondContact O-CB 3.46Å; S309-Q313 VanDerWaalsContact O-CG 3.25Å; S309-Q313 WeakPolarHBondContact O-CG 3.45Å; S309-Q313 PolarHBondContact O-N 2.77Å; S309-Q313 PolarHBondContact O-NE2 2.67Å; S309-Q313 VanDerWaalsContact O-NE2 3.09Å
310W98.8Very high97.3Very high1 Ų121 Ų210%0.00411%0.107CC..Hα-helixtrans-66.1-50.1175.7-176.491.7000109.9Q279 T306 I307 C308 Q312 Q313 Q314 Y316 T392 P393 R462Q279-W310 VanDerWaalsContact O-CZ2 3.28Å; Q279-W310 WeakPolarHBondContact O-CZ2 3.45Å; Q279-W310 PolarHBondContact O-NE1 3.03Å; T306-W310 PolarHBondContact O-N 3.24Å; I307-W310 WeakPolarHBondContact O-CB 3Å; I307-W310 PolarHBondContact O-N 2.93Å; C308-W310 VanDerWaalsContact C-N 3.25Å; C308-W310 PolarHBondContact O-N 2.64Å; W310-Q312 VanDerWaalsContact C-N 3.28Å; W310-Q312 PolarHBondContact O-N 2.96Å; W310-Q313 PolarHBondContact O-N 3.12Å; W310-Q314 HydrophobicContact CD2-CG 3.74Å; W310-Q314 VanDerWaalsContact CE2-CG 3.45Å; W310-Q314 HydrophobicContact CE3-CG 4.11Å; W310-Q314 HydrophobicContact CG-CG 4.26Å; W310-Q314 HydrophobicContact CH2-CB 4.3Å; W310-Q314 HydrophobicContact CH2-CG 3.89Å; W310-Q314 HydrophobicContact CZ2-CB 4.44Å; W310-Q314 HydrophobicContact CZ2-CG 3.56Å; W310-Q314 HydrophobicContact CZ3-CB 4.36Å; W310-Q314 HydrophobicContact CZ3-CG 4.16Å; W310-Q314 WeakPolarHBondContact O-CB 2.81Å; W310-Q314 VanDerWaalsContact O-CG 3.24Å; W310-Q314 WeakPolarHBondContact O-CG 3.34Å; W310-Q314 PolarHBondContact O-N 3.27Å; W310-Y316 HydrophobicContact CH2-CD2 4.24Å; W310-Y316 AromaticContact CH2-CE2 3.56Å; W310-Y316 HydrophobicContact CH2-CE2 3.56Å; W310-Y316 AromaticContact CZ3-CD2 3.79Å; W310-Y316 HydrophobicContact CZ3-CD2 3.79Å; W310-Y316 AromaticContact CZ3-CE2 3.59Å; W310-Y316 HydrophobicContact CZ3-CE2 3.59Å; W310-T392 HydrophobicContact CE3-CG2 4.13Å; W310-T392 HydrophobicContact CH2-CG2 3.76Å; W310-T392 HydrophobicContact CZ2-CG2 4.21Å; W310-T392 HydrophobicContact CZ3-CG2 3.7Å; W310-P393 HydrophobicContact CB-CG 3.95Å; W310-P393 HydrophobicContact CG-CG 3.98Å; W310-R462 HydrophobicContact CH2-CG 3.92Å; W310-R462 HydrophobicContact CZ3-CG 4.42Å
311F98.6Very high97.2Very high0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-61.5-38178.6-78.5-76.8000112.5I307 C308 G315 Y316 V317 L361 V363 T392 P460I307-F311 HydrophobicContact CG2-CD2 3.88Å; I307-F311 HydrophobicContact CG2-CE2 3.68Å; I307-F311 WeakPolarHBondContact O-CD2 3.28Å; I307-F311 PolarHBondContact O-N 3.27Å; I307-F311 VanDerWaalsContact O-N 3.17Å; C308-F311 PolarHBondContact O-N 3.04Å; F311-G315 PolarHBondContact O-N 2.79Å; F311-Y316 AromaticContact CD1-CD2 3.79Å; F311-Y316 HydrophobicContact CD1-CD2 3.79Å; F311-Y316 AromaticContact CD1-CG 3.91Å; F311-Y316 HydrophobicContact CD1-CG 3.91Å; F311-Y316 HydrophobicContact CE1-CD2 4.41Å; F311-Y316 PolarHBondContact O-N 2.67Å; F311-V317 HydrophobicContact CB-CG2 3.99Å; F311-L361 HydrophobicContact CB-CD1 4.2Å; F311-L361 HydrophobicContact CD2-CD1 4.42Å; F311-V363 HydrophobicContact CD1-CG2 3.79Å; F311-V363 HydrophobicContact CD2-CG2 4.31Å; F311-V363 HydrophobicContact CE1-CG1 3.93Å; F311-V363 HydrophobicContact CE1-CG2 3.69Å; F311-V363 HydrophobicContact CE2-CG1 3.77Å; F311-V363 HydrophobicContact CE2-CG2 4.23Å; F311-V363 HydrophobicContact CG-CG2 4.12Å; F311-V363 HydrophobicContact CZ-CB 4.32Å; F311-V363 HydrophobicContact CZ-CG1 3.39Å; F311-V363 HydrophobicContact CZ-CG2 3.94Å; F311-T392 HydrophobicContact CZ-CG2 4.15Å; F311-P460 HydrophobicContact CE2-CB 3.62Å; F311-P460 HydrophobicContact CE2-CG 4.37Å; F311-P460 HydrophobicContact CZ-CB 3.65Å
312Q97.2Very high97.2Very high60 Ų6023 Ų2328%0.2812%0.119SC..Hα-helixtrans-63.4-52.5174.7-171.8-171.623.100111.2A243 C308 W310 Q314 G315 V317A243-Q312 VanDerWaalsContact CB-O 3.25Å; A243-Q312 WeakPolarHBondContact CB-O 3.48Å; C308-Q312 WeakPolarHBondContact O-CB 3.47Å; C308-Q312 PolarHBondContact O-N 3.33Å; W310-Q312 VanDerWaalsContact C-N 3.28Å; W310-Q312 PolarHBondContact O-N 2.96Å; Q312-Q314 VanDerWaalsContact C-N 3.28Å; Q312-Q314 PolarHBondContact O-N 3.06Å; Q312-G315 PolarHBondContact O-N 3.17Å; Q312-V317 HydrophobicContact CB-CG2 4.29Å
313Q97.3Very high97.2Very high27 Ų2725.2 Ų25.213%0.12613%0.134CC..Hα-helixtrans-71.9-21.6-176.3-71.517589.800113.4I281 S283 S309 W310 G315I281-Q313 HydrophobicContact CB-CB 4.41Å; S283-Q313 VanDerWaalsContact N-NE2 3.18Å; S309-Q313 VanDerWaalsContact O-CB 3.28Å; S309-Q313 WeakPolarHBondContact O-CB 3.46Å; S309-Q313 VanDerWaalsContact O-CG 3.25Å; S309-Q313 WeakPolarHBondContact O-CG 3.45Å; S309-Q313 PolarHBondContact O-N 2.77Å; S309-Q313 PolarHBondContact O-NE2 2.67Å; S309-Q313 VanDerWaalsContact O-NE2 3.09Å; W310-Q313 PolarHBondContact O-N 3.12Å; Q313-G315 VanDerWaalsContact C-N 3.27Å
314Q96.9Very high97.2Very high35 Ų3525.7 Ų25.716%0.16414%0.137CC..THydrogen-bonded Turntrans-86.71.7171.4-61.1-31.4-81.200112.5N244 G280 I281 W310 Q312 Y316N244-Q314 PolarHBondContact ND2-O 2.8Å; G280-Q314 VanDerWaalsContact CA-OE1 3.3Å; I281-Q314 PolarHBondContact O-NE2 3.27Å; W310-Q314 HydrophobicContact CD2-CG 3.74Å; W310-Q314 VanDerWaalsContact CE2-CG 3.45Å; W310-Q314 HydrophobicContact CE3-CG 4.11Å; W310-Q314 HydrophobicContact CG-CG 4.26Å; W310-Q314 HydrophobicContact CH2-CB 4.3Å; W310-Q314 HydrophobicContact CH2-CG 3.89Å; W310-Q314 HydrophobicContact CZ2-CB 4.44Å; W310-Q314 HydrophobicContact CZ2-CG 3.56Å; W310-Q314 HydrophobicContact CZ3-CB 4.36Å; W310-Q314 HydrophobicContact CZ3-CG 4.16Å; W310-Q314 WeakPolarHBondContact O-CB 2.81Å; W310-Q314 VanDerWaalsContact O-CG 3.24Å; W310-Q314 WeakPolarHBondContact O-CG 3.34Å; W310-Q314 PolarHBondContact O-N 3.27Å; Q312-Q314 VanDerWaalsContact C-N 3.28Å; Q312-Q314 PolarHBondContact O-N 3.06Å; Q314-Y316 VanDerWaalsContact C-N 3.32Å; Q314-Y316 HydrophobicContact CB-CD2 3.61Å; Q314-Y316 HydrophobicContact CB-CE2 3.55Å; Q314-Y316 HydrophobicContact CG-CE2 4.44Å; Q314-Y316 PolarHBondContact O-N 3.08Å
315G96.1Very high97.2Very high3 Ų332.2 Ų32.23%0.03117%0.165CC..THydrogen-bonded Turntrans77.810174.800000114.8R241 F311 Q312 Q313 V317R241-G315 WeakPolarHBondContact CD-O 3.47Å; R241-G315 PolarHBondContact NE-O 3.36Å; R241-G315 PolarHBondContact NH1-O 2.79Å; F311-G315 PolarHBondContact O-N 2.79Å; Q312-G315 PolarHBondContact O-N 3.17Å; Q313-G315 VanDerWaalsContact C-N 3.27Å; G315-V317 VanDerWaalsContact C-N 3.27Å; G315-V317 PolarHBondContact O-N 2.66Å
316Y96.6Very high97.2Very high22 Ų2235.7 Ų35.79%0.08618%0.181CC..SBendtrans-69.6-29176.7-69.3-76.4000112.3R237 P238 W310 F311 Q314 R462 P463 V465R237-Y316 VanDerWaalsContact CB-OH 3.32Å; R237-Y316 WeakPolarHBondContact CB-OH 3.45Å; P238-Y316 HydrophobicContact CG-CD1 4.3Å; P238-Y316 HydrophobicContact CG-CE1 4.28Å; W310-Y316 HydrophobicContact CH2-CD2 4.24Å; W310-Y316 AromaticContact CH2-CE2 3.56Å; W310-Y316 HydrophobicContact CH2-CE2 3.56Å; W310-Y316 AromaticContact CZ3-CD2 3.79Å; W310-Y316 HydrophobicContact CZ3-CD2 3.79Å; W310-Y316 AromaticContact CZ3-CE2 3.59Å; W310-Y316 HydrophobicContact CZ3-CE2 3.59Å; F311-Y316 AromaticContact CD1-CD2 3.79Å; F311-Y316 HydrophobicContact CD1-CD2 3.79Å; F311-Y316 AromaticContact CD1-CG 3.91Å; F311-Y316 HydrophobicContact CD1-CG 3.91Å; F311-Y316 HydrophobicContact CE1-CD2 4.41Å; F311-Y316 PolarHBondContact O-N 2.67Å; Q314-Y316 VanDerWaalsContact C-N 3.32Å; Q314-Y316 HydrophobicContact CB-CD2 3.61Å; Q314-Y316 HydrophobicContact CB-CE2 3.55Å; Q314-Y316 HydrophobicContact CG-CE2 4.44Å; Q314-Y316 PolarHBondContact O-N 3.08Å; Y316-R462 HydrophobicContact CE1-CB 4.39Å; Y316-R462 WeakPolarHBondContact OH-CD 3.3Å; Y316-P463 HydrophobicContact CD1-CB 4.28Å; Y316-P463 HydrophobicContact CD1-CG 4.16Å; Y316-P463 VanDerWaalsContact CE1-O 3.25Å; Y316-P463 WeakPolarHBondContact CE1-O 3.28Å; Y316-V465 HydrophobicContact CD1-CG2 3.51Å; Y316-V465 HydrophobicContact CE1-CG2 3.86Å
317V94.3Very high97.2Very high20 Ų2035.7 Ų35.712%0.12118%0.181CC..  trans-140.2145.1-178.4-62.10000110.9F311 Q312 G315 L361F311-V317 HydrophobicContact CB-CG2 3.99Å; Q312-V317 HydrophobicContact CB-CG2 4.29Å; G315-V317 VanDerWaalsContact C-N 3.27Å; G315-V317 PolarHBondContact O-N 2.66Å; V317-L361 HydrophobicContact CB-CD2 4.23Å; V317-L361 HydrophobicContact CG1-CB 3.99Å; V317-L361 HydrophobicContact CG1-CD2 4.11Å; V317-L361 HydrophobicContact CG1-CG 4.49Å; V317-L361 HydrophobicContact CG2-CD1 4.43Å; V317-L361 HydrophobicContact CG2-CD2 3.95Å
318E90.9Very high97.2Very high122 Ų12235.9 Ų35.957%0.5718%0.182SC*.  trans-89.4-13.2172.2-64.9-179.8-175.300112.1G320E318-G320 PolarHBondContact O-N 3.04Å
319R93.2Very high97.2Very high101 Ų10139.2 Ų39.238%0.38120%0.197SC..PPolyproline II helixtrans-62.4136.8-179.3-165.4-169.6175.7102.57.5110.2E326 L361R319-E326 IonicContact NH2-OE1 3.17Å; R319-E326 PolarHBondContact NH2-OE1 2.9Å; R319-L361 HydrophobicContact CB-CD2 4.13Å
320G94.4Very high97.2Very high41 Ų4139.2 Ų39.242%0.42320%0.197SC..PPolyproline II helixtrans-63.8160.7168.600000113E318E318-G320 PolarHBondContact O-N 3.04Å
321V98.1Very high97.2Very high41 Ų4139.2 Ų39.225%0.24820%0.197CC..PPolyproline II helixtrans-60.6125.5173.9179.20000109.4Q305 C308Q305-V321 HydrophobicContact CB-CG1 3.55Å; Q305-V321 HydrophobicContact CG-CG1 3.62Å; C308-V321 HydrophobicContact CB-CG1 4.42Å
322P98.5Very high97.2Very high0 Ų040.7 Ų40.70%021%0.206CC..PPolyproline II helixtrans-74144.6-174.930.7-35.7000112.1Q305 E326 I327 L360Q305-P322 WeakPolarHBondContact CG-O 3.22Å; Q305-P322 PolarHBondContact NE2-O 3.11Å; P322-E326 HydrophobicContact CB-CB 4.01Å; P322-I327 HydrophobicContact CB-CG1 3.99Å; P322-I327 HydrophobicContact CG-CD1 4.19Å; P322-I327 HydrophobicContact CG-CG1 3.87Å; P322-L360 HydrophobicContact CB-CD1 3.91Å; P322-L360 HydrophobicContact CG-CD1 4.09Å
323S98.7Very high97.3Very high48 Ų4843.1 Ų43.134%0.33622%0.217SC..PPolyproline II helixtrans-71.5163.616962.30000112.1K325 E326 I327S323-K325 PolarHBondContact O-N 2.68Å; S323-E326 WeakPolarHBondContact CB-OE2 3.41Å; S323-E326 PolarHBondContact N-OE2 3.17Å; S323-E326 PolarHBondContact O-N 3.18Å; S323-E326 VanDerWaalsContact O-N 3.1Å; S323-E326 WeakPolarHBondContact OG-CG 3.38Å; S323-E326 PolarHBondContact OG-N 3.2Å; S323-E326 PolarHBondContact OG-OE2 2.97Å; S323-I327 WeakPolarHBondContact O-CG1 3.5Å; S323-I327 PolarHBondContact O-N 2.98Å
324H98.8Very high97.3Very high10 Ų1045 Ų455%0.04623%0.231CC..Hα-helixtrans-53.9-40.4174.3-56.367.2000111.9D294 W297 Y301 R302 I327 Q328D294-H324 IonicContact OD2-CE1 3.8Å; D294-H324 IonicContact OD2-NE2 3.38Å; D294-H324 PolarHBondContact OD2-NE2 2.93Å; W297-H324 HydrophobicContact CH2-CB 4.36Å; W297-H324 AromaticContact CH2-CD2 3.86Å; Y301-H324 HydrophobicContact CD1-CB 4.07Å; Y301-H324 AromaticContact CD1-CD2 3.84Å; Y301-H324 HydrophobicContact CE1-CB 4.33Å; Y301-H324 AromaticContact CG-CD2 3.6Å; R302-H324 PolarHBondContact NH2-CE1 2.9Å; H324-I327 PolarHBondContact O-N 3.49Å; H324-Q328 WeakPolarHBondContact O-CB 3.49Å; H324-Q328 WeakPolarHBondContact O-CG 3.34Å; H324-Q328 PolarHBondContact O-N 3.48Å
325K98.6Very high97.4Very high137 Ų13746.3 Ų46.360%0.59625%0.254SS*.Hα-helixtrans-65.4-41.4179.5-170.2178.5179-179.90111.9S323 Q328 Q329 V342S323-K325 PolarHBondContact O-N 2.68Å; K325-Q328 PolarHBondContact O-N 3.42Å; K325-Q329 VanDerWaalsContact O-CB 3.22Å; K325-Q329 WeakPolarHBondContact O-CB 3.28Å; K325-Q329 PolarHBondContact O-N 3.16Å; K325-V342 HydrophobicContact CD-CG1 4.48Å; K325-V342 HydrophobicContact CG-CG1 3.72Å
326E98.8Very high97.4Very high76 Ų7649.7 Ų49.736%0.35527%0.271SS..Hα-helixtrans-66.6-37.9175.1-73169.1103.700112.1R319 P322 S323 Q329 A330R319-E326 IonicContact NH2-OE1 3.17Å; R319-E326 PolarHBondContact NH2-OE1 2.9Å; P322-E326 HydrophobicContact CB-CB 4.01Å; S323-E326 WeakPolarHBondContact CB-OE2 3.41Å; S323-E326 PolarHBondContact N-OE2 3.17Å; S323-E326 PolarHBondContact O-N 3.18Å; S323-E326 VanDerWaalsContact O-N 3.1Å; S323-E326 WeakPolarHBondContact OG-CG 3.38Å; S323-E326 PolarHBondContact OG-N 3.2Å; S323-E326 PolarHBondContact OG-OE2 2.97Å; E326-Q329 PolarHBondContact O-N 3.45Å; E326-A330 WeakPolarHBondContact O-CB 3.44Å; E326-A330 PolarHBondContact O-N 3.23Å
327I98.9Very high97.5Very high0 Ų051.4 Ų51.40%028%0.279CS..Hα-helixtrans-63-46.6174.5-66.5163.2000110.3Y301 L304 Q305 P322 S323 H324 Q329 A330 L331 I348 V356Y301-I327 HydrophobicContact CD1-CB 3.91Å; Y301-I327 HydrophobicContact CD1-CD1 3.83Å; Y301-I327 HydrophobicContact CD1-CG1 4.48Å; Y301-I327 HydrophobicContact CD1-CG2 3.61Å; Y301-I327 HydrophobicContact CE1-CB 4.05Å; Y301-I327 HydrophobicContact CE1-CG2 3.62Å; L304-I327 HydrophobicContact CD2-CB 4.49Å; L304-I327 HydrophobicContact CD2-CD1 3.84Å; L304-I327 HydrophobicContact CD2-CG1 3.89Å; L304-I327 HydrophobicContact CD2-CG2 3.76Å; L304-I327 HydrophobicContact CG-CD1 4.35Å; Q305-I327 HydrophobicContact CG-CD1 4.34Å; P322-I327 HydrophobicContact CB-CG1 3.99Å; P322-I327 HydrophobicContact CG-CD1 4.19Å; P322-I327 HydrophobicContact CG-CG1 3.87Å; S323-I327 WeakPolarHBondContact O-CG1 3.5Å; S323-I327 PolarHBondContact O-N 2.98Å; H324-I327 PolarHBondContact O-N 3.49Å; I327-Q329 VanDerWaalsContact C-N 3.34Å; I327-Q329 PolarHBondContact O-N 3.28Å; I327-A330 WeakPolarHBondContact O-CB 3.36Å; I327-A330 PolarHBondContact O-N 2.83Å; I327-L331 PolarHBondContact O-N 3.3Å; I327-L331 VanDerWaalsContact O-N 3.17Å; I327-I348 HydrophobicContact CG2-CD1 3.91Å; I327-V356 HydrophobicContact CG1-CG1 4.34Å; I327-V356 HydrophobicContact CG2-CG1 4.26Å; I327-V356 HydrophobicContact CG2-CG2 4.06Å
328Q98.8Very high97.7Very high4 Ų457.8 Ų57.82%0.01931%0.308CS..Hα-helixtrans-62.9-42.5176.4-69.6166.6-11.800111.5Y301 H324 K325 A330 L331 V332 F341 V342 S344Y301-Q328 HydrophobicContact CE1-CG 3.92Å; Y301-Q328 PolarHBondContact OH-NE2 3.06Å; H324-Q328 WeakPolarHBondContact O-CB 3.49Å; H324-Q328 WeakPolarHBondContact O-CG 3.34Å; H324-Q328 PolarHBondContact O-N 3.48Å; K325-Q328 PolarHBondContact O-N 3.42Å; Q328-A330 VanDerWaalsContact C-N 3.34Å; Q328-A330 PolarHBondContact O-N 2.93Å; Q328-L331 PolarHBondContact O-N 3.33Å; Q328-V332 PolarHBondContact O-N 3.25Å; Q328-V332 VanDerWaalsContact O-N 3.13Å; Q328-F341 HydrophobicContact CB-CD1 3.82Å; Q328-F341 HydrophobicContact CB-CE1 4Å; Q328-F341 HydrophobicContact CG-CD1 3.85Å; Q328-F341 HydrophobicContact CG-CE1 3.63Å; Q328-V342 HydrophobicContact CB-CB 4.5Å; Q328-V342 HydrophobicContact CB-CG2 4.28Å; Q328-S344 PolarHBondContact NE2-O 3.1Å
329Q98.8Very high98Very high75 Ų7555.7 Ų55.735%0.3531%0.311SS..Hα-helixtrans-62.1-42.3177.5-175.561.553.700111.1K325 E326 I327 L331 V332 E333 V342K325-Q329 VanDerWaalsContact O-CB 3.22Å; K325-Q329 WeakPolarHBondContact O-CB 3.28Å; K325-Q329 PolarHBondContact O-N 3.16Å; E326-Q329 PolarHBondContact O-N 3.45Å; I327-Q329 VanDerWaalsContact C-N 3.34Å; I327-Q329 PolarHBondContact O-N 3.28Å; Q329-L331 VanDerWaalsContact C-N 3.3Å; Q329-L331 PolarHBondContact O-N 2.77Å; Q329-V332 PolarHBondContact O-N 3.24Å; Q329-V332 VanDerWaalsContact O-N 3.14Å; Q329-E333 HydrophobicContact CG-CG 4.5Å; Q329-E333 WeakPolarHBondContact CG-OE1 3.41Å; Q329-E333 PolarHBondContact NE2-OE1 3.15Å; Q329-E333 WeakPolarHBondContact O-CG 3.29Å; Q329-E333 PolarHBondContact O-N 3.49Å; Q329-V342 HydrophobicContact CB-CG2 4.46Å
330A98.8Very high98.3Very high1 Ų155.1 Ų55.11%0.00832%0.323CS..Hα-helixtrans-58.1-41.7174.800000112.2E326 I327 Q328 V332 E333 V334 V356 L360E326-A330 WeakPolarHBondContact O-CB 3.44Å; E326-A330 PolarHBondContact O-N 3.23Å; I327-A330 WeakPolarHBondContact O-CB 3.36Å; I327-A330 PolarHBondContact O-N 2.83Å; Q328-A330 VanDerWaalsContact C-N 3.34Å; Q328-A330 PolarHBondContact O-N 2.93Å; A330-V332 VanDerWaalsContact C-N 3.32Å; A330-V332 PolarHBondContact O-N 3.04Å; A330-E333 PolarHBondContact O-N 3.41Å; A330-V334 WeakPolarHBondContact O-CG2 3.39Å; A330-V334 PolarHBondContact O-N 2.9Å; A330-V356 HydrophobicContact CB-CG1 4.15Å; A330-V356 HydrophobicContact CB-CG2 4.08Å; A330-L360 HydrophobicContact CB-CD1 4.09Å; A330-L360 HydrophobicContact CB-CD2 3.94Å; A330-L360 HydrophobicContact CB-CG 3.92Å
331L98.9Very high98.5Very high0 Ų053.6 Ų53.60%031%0.305CS..Hα-helixtrans-66.4-32.8177.2-70.8168.8000113.3I327 Q328 Q329 V334 D336 K337 F341 I348 E352 A355 V356I327-L331 PolarHBondContact O-N 3.3Å; I327-L331 VanDerWaalsContact O-N 3.17Å; Q328-L331 PolarHBondContact O-N 3.33Å; Q329-L331 VanDerWaalsContact C-N 3.3Å; Q329-L331 PolarHBondContact O-N 2.77Å; L331-V334 WeakPolarHBondContact O-CG2 3.47Å; L331-D336 HydrophobicContact CD2-CB 4.33Å; L331-D336 PolarHBondContact O-N 2.91Å; L331-K337 HydrophobicContact CB-CB 4.33Å; L331-K337 HydrophobicContact CB-CG 3.82Å; L331-K337 HydrophobicContact CD1-CG 4.45Å; L331-K337 PolarHBondContact O-N 2.81Å; L331-F341 HydrophobicContact CD1-CE1 3.74Å; L331-F341 HydrophobicContact CD1-CZ 4.35Å; L331-I348 HydrophobicContact CD1-CG2 3.79Å; L331-E352 HydrophobicContact CD1-CB 3.98Å; L331-E352 HydrophobicContact CD1-CG 4.15Å; L331-E352 HydrophobicContact CD2-CB 3.68Å; L331-E352 HydrophobicContact CD2-CG 3.88Å; L331-E352 HydrophobicContact CG-CB 4.49Å; L331-A355 HydrophobicContact CD2-CB 4.27Å; L331-V356 HydrophobicContact CD1-CG2 4.27Å; L331-V356 HydrophobicContact CD2-CG2 3.66Å; L331-V356 HydrophobicContact CG-CG2 3.59Å
332V98.8Very high98.5Very high31 Ų3153.2 Ų53.219%0.18830%0.302CS..Hα-helixtrans-71-42.1172.4174.40000111Q328 Q329 A330 V334 G335 K337 Q338 A339 F341 V342Q328-V332 PolarHBondContact O-N 3.25Å; Q328-V332 VanDerWaalsContact O-N 3.13Å; Q329-V332 PolarHBondContact O-N 3.24Å; Q329-V332 VanDerWaalsContact O-N 3.14Å; A330-V332 VanDerWaalsContact C-N 3.32Å; A330-V332 PolarHBondContact O-N 3.04Å; V332-V334 VanDerWaalsContact C-N 3.34Å; V332-V334 PolarHBondContact O-N 3.12Å; V332-G335 PolarHBondContact O-N 3.24Å; V332-K337 HydrophobicContact CG2-CB 4.18Å; V332-Q338 VanDerWaalsContact CG2-O 3.28Å; V332-Q338 WeakPolarHBondContact CG2-O 3.32Å; V332-A339 HydrophobicContact CG1-CB 4.5Å; V332-F341 HydrophobicContact CG2-CB 4.29Å; V332-V342 HydrophobicContact CB-CG2 4.42Å; V332-V342 HydrophobicContact CG2-CG2 3.72Å
333E98.6Very high98.4Very high111 Ų11156.2 Ų56.252%0.51933%0.333SS..Hα-helixtrans-63.8-36.2-179.3-75170.7-173.600113.2Q329 A330 G335 H359Q329-E333 HydrophobicContact CG-CG 4.5Å; Q329-E333 WeakPolarHBondContact CG-OE1 3.41Å; Q329-E333 PolarHBondContact NE2-OE1 3.15Å; Q329-E333 WeakPolarHBondContact O-CG 3.29Å; Q329-E333 PolarHBondContact O-N 3.49Å; A330-E333 PolarHBondContact O-N 3.41Å; E333-G335 PolarHBondContact O-N 3.49Å; E333-H359 IonicContact OE2-CD2 3.55Å; E333-H359 IonicContact OE2-CE1 3.65Å; E333-H359 IonicContact OE2-NE2 2.87Å; E333-H359 PolarHBondContact OE2-NE2 3.49Å
334V98.1Very high98.4Very high66 Ų6655 Ų5540%0.433%0.325SS..THydrogen-bonded Turntrans-80.8-0.6174.6-570000113.5A330 L331 V332 D336 H359A330-V334 WeakPolarHBondContact O-CG2 3.39Å; A330-V334 PolarHBondContact O-N 2.9Å; L331-V334 WeakPolarHBondContact O-CG2 3.47Å; V332-V334 VanDerWaalsContact C-N 3.34Å; V332-V334 PolarHBondContact O-N 3.12Å; V334-D336 HydrophobicContact CG2-CB 4.03Å; V334-H359 HydrophobicContact CG1-CB 3.68Å
335G97.9Very high98.4Very high64 Ų6462.6 Ų62.666%0.6635%0.353SS*.THydrogen-bonded Turntrans78.711.9177.900000115.5V332 E333V332-G335 PolarHBondContact O-N 3.24Å; E333-G335 PolarHBondContact O-N 3.49Å
336D98.1Very high98.3Very high73 Ų7361.1 Ų61.139%0.3935%0.348SS..SBendtrans-75.9-37.3178.2-177.579.3000112.1L331 V334L331-D336 HydrophobicContact CD2-CB 4.33Å; L331-D336 PolarHBondContact O-N 2.91Å; V334-D336 HydrophobicContact CG2-CB 4.03Å
337K98.3Very high98.2Very high58 Ų5863.4 Ų63.425%0.25235%0.354SS..SBendtrans-122.7156.5-177.8-56-63-173.6-157.50112.4L331 V332 F341 E352L331-K337 HydrophobicContact CB-CB 4.33Å; L331-K337 HydrophobicContact CB-CG 3.82Å; L331-K337 HydrophobicContact CD1-CG 4.45Å; L331-K337 PolarHBondContact O-N 2.81Å; V332-K337 HydrophobicContact CG2-CB 4.18Å; K337-F341 HydrophobicContact CB-CB 3.73Å; K337-F341 HydrophobicContact CB-CD1 3.88Å; K337-F341 HydrophobicContact CB-CD2 4.23Å; K337-F341 HydrophobicContact CB-CG 3.69Å; K337-F341 HydrophobicContact CD-CD2 4.08Å; K337-F341 HydrophobicContact CD-CE2 4.11Å; K337-F341 HydrophobicContact CD-CG 4.36Å; K337-F341 HydrophobicContact CD-CZ 4.43Å; K337-F341 HydrophobicContact CG-CB 4.41Å; K337-F341 HydrophobicContact CG-CD1 3.77Å; K337-F341 HydrophobicContact CG-CD2 4.04Å; K337-F341 HydrophobicContact CG-CE1 4Å; K337-F341 HydrophobicContact CG-CE2 4.26Å; K337-F341 HydrophobicContact CG-CG 3.81Å; K337-F341 HydrophobicContact CG-CZ 4.27Å; K337-E352 IonicContact NZ-OE1 3.03Å; K337-E352 PolarHBondContact NZ-OE1 2.88Å
338Q98.1Very high98.1Very high154 Ų15463.7 Ų63.772%0.7236%0.355SS*.  trans-75.8157172.4-62.9-176.1-200111.5V332 S340 F341V332-Q338 VanDerWaalsContact CG2-O 3.28Å; V332-Q338 WeakPolarHBondContact CG2-O 3.32Å; Q338-S340 PolarHBondContact O-N 2.73Å; Q338-S340 VanDerWaalsContact O-N 3.07Å; Q338-F341 WeakPolarHBondContact O-CB 3.12Å; Q338-F341 PolarHBondContact O-N 3.17Å
339A98.1Very high98.1Very high78 Ų7864.2 Ų64.265%0.64536%0.361SS*.G310 helixtrans-55.7-29.8-178.700000114.5V332 F341 V342V332-A339 HydrophobicContact CG1-CB 4.5Å; A339-F341 PolarHBondContact O-N 3.14Å; A339-V342 PolarHBondContact O-N 3.35Å
340S98.2Very high98Very high90 Ų9060.8 Ų60.863%0.62935%0.346SS*.G310 helixtrans-66-12175.456.70000114.2Q338 V342Q338-S340 PolarHBondContact O-N 2.73Å; Q338-S340 VanDerWaalsContact O-N 3.07Å; S340-V342 VanDerWaalsContact C-N 3.28Å
341F98.4Very high98Very high8 Ų864 Ų644%0.03536%0.362CS..G310 helixtrans-67.9-29.8175-169.9-104.6000112.1Q328 L331 V332 K337 Q338 A339 G343 S344 Q346 I348Q328-F341 HydrophobicContact CB-CD1 3.82Å; Q328-F341 HydrophobicContact CB-CE1 4Å; Q328-F341 HydrophobicContact CG-CD1 3.85Å; Q328-F341 HydrophobicContact CG-CE1 3.63Å; L331-F341 HydrophobicContact CD1-CE1 3.74Å; L331-F341 HydrophobicContact CD1-CZ 4.35Å; V332-F341 HydrophobicContact CG2-CB 4.29Å; K337-F341 HydrophobicContact CB-CB 3.73Å; K337-F341 HydrophobicContact CB-CD1 3.88Å; K337-F341 HydrophobicContact CB-CD2 4.23Å; K337-F341 HydrophobicContact CB-CG 3.69Å; K337-F341 HydrophobicContact CD-CD2 4.08Å; K337-F341 HydrophobicContact CD-CE2 4.11Å; K337-F341 HydrophobicContact CD-CG 4.36Å; K337-F341 HydrophobicContact CD-CZ 4.43Å; K337-F341 HydrophobicContact CG-CB 4.41Å; K337-F341 HydrophobicContact CG-CD1 3.77Å; K337-F341 HydrophobicContact CG-CD2 4.04Å; K337-F341 HydrophobicContact CG-CE1 4Å; K337-F341 HydrophobicContact CG-CE2 4.26Å; K337-F341 HydrophobicContact CG-CG 3.81Å; K337-F341 HydrophobicContact CG-CZ 4.27Å; Q338-F341 WeakPolarHBondContact O-CB 3.12Å; Q338-F341 PolarHBondContact O-N 3.17Å; A339-F341 PolarHBondContact O-N 3.14Å; F341-G343 PolarHBondContact O-N 3.22Å; F341-S344 WeakPolarHBondContact O-CB 3.33Å; F341-S344 PolarHBondContact O-N 3.15Å; F341-S344 VanDerWaalsContact O-N 3.09Å; F341-S344 PolarHBondContact O-OG 2.89Å; F341-Q346 HydrophobicContact CD2-CB 4.18Å; F341-Q346 HydrophobicContact CE2-CB 3.48Å; F341-Q346 VanDerWaalsContact CE2-CB 3.48Å; F341-Q346 HydrophobicContact CE2-CG 4.28Å; F341-Q346 HydrophobicContact CZ-CB 4.21Å; F341-I348 HydrophobicContact CE1-CG2 4.2Å; F341-I348 HydrophobicContact CZ-CG2 3.65Å
342V98.4Very high97.9Very high33 Ų3365.4 Ų65.420%0.237%0.369CS..THydrogen-bonded Turntrans-71126.8178.8-172.90000110.5K325 Q328 Q329 V332 A339 S340 S344K325-V342 HydrophobicContact CD-CG1 4.48Å; K325-V342 HydrophobicContact CG-CG1 3.72Å; Q328-V342 HydrophobicContact CB-CB 4.5Å; Q328-V342 HydrophobicContact CB-CG2 4.28Å; Q329-V342 HydrophobicContact CB-CG2 4.46Å; V332-V342 HydrophobicContact CB-CG2 4.42Å; V332-V342 HydrophobicContact CG2-CG2 3.72Å; A339-V342 PolarHBondContact O-N 3.35Å; S340-V342 VanDerWaalsContact C-N 3.28Å; V342-S344 VanDerWaalsContact C-N 3.25Å
343G97.6Very high97.9Very high63 Ų6363.9 Ų63.965%0.64936%0.36SS*.THydrogen-bonded Turntrans81.4-0-172.700000114.1F341F341-G343 PolarHBondContact O-N 3.22Å
344S97.9Very high97.9Very high22 Ų2261.2 Ų61.215%0.15435%0.347CS..  trans-73.6170.2173.980.40000111.8Q328 F341 V342 Q346Q328-S344 PolarHBondContact NE2-O 3.1Å; F341-S344 WeakPolarHBondContact O-CB 3.33Å; F341-S344 PolarHBondContact O-N 3.15Å; F341-S344 VanDerWaalsContact O-N 3.09Å; F341-S344 PolarHBondContact O-OG 2.89Å; V342-S344 VanDerWaalsContact C-N 3.25Å; S344-Q346 PolarHBondContact OG-N 3.19Å
345R97.9Very high98Very high170 Ų17059.3 Ų59.364%0.64234%0.339SS*.  trans-107.630.1171.4-63.3-175.7175.5-172.6-5.6111.8W297W297-R345 WeakPolarHBondContact CB-O 3.47Å; W297-R345 HydrophobicContact CD2-CB 3.74Å; W297-R345 HydrophobicContact CD2-CG 4.33Å; W297-R345 VanDerWaalsContact CE3-C 3.42Å; W297-R345 HydrophobicContact CE3-CB 4.31Å; W297-R345 HydrophobicContact CG-CB 3.95Å; W297-R345 VanDerWaalsContact CG-O 3.29Å; W297-R345 HydrophobicContact CZ2-CB 4.2Å; W297-R345 HydrophobicContact CZ2-CG 3.91Å
346Q97.5Very high98Very high107 Ų10756.3 Ų56.350%0.531%0.308SS..  trans-81.3137.3-178.7-66.5-175.3-84.200110.5Y301 F341 S344Y301-Q346 WeakPolarHBondContact CE2-O 3.37Å; Y301-Q346 PolarHBondContact OH-O 3.17Å; F341-Q346 HydrophobicContact CD2-CB 4.18Å; F341-Q346 HydrophobicContact CE2-CB 3.48Å; F341-Q346 VanDerWaalsContact CE2-CB 3.48Å; F341-Q346 HydrophobicContact CE2-CG 4.28Å; F341-Q346 HydrophobicContact CZ-CB 4.21Å; S344-Q346 PolarHBondContact OG-N 3.19Å
347W96.1Very high98Very high124 Ų12452.9 Ų52.947%0.4729%0.289SS..  trans-69.8159.2172.559.4-92.8000110.9V400W347-V400 HydrophobicContact CD2-CG1 4.42Å; W347-V400 HydrophobicContact CZ2-CG1 4.25Å
348I97.8Very high98Very high5 Ų554.3 Ų54.33%0.02630%0.299CS..  trans-127157.9175.662.5175.1000109.7A300 Y301 I327 L331 F341 E352 V353A300-I348 HydrophobicContact CB-CD1 4.4Å; A300-I348 HydrophobicContact CB-CG1 3.58Å; A300-I348 WeakPolarHBondContact CB-O 3.34Å; Y301-I348 HydrophobicContact CD1-CD1 4.08Å; Y301-I348 HydrophobicContact CD2-CD1 4.22Å; Y301-I348 HydrophobicContact CD2-CG1 4.07Å; Y301-I348 HydrophobicContact CE1-CD1 4.05Å; Y301-I348 HydrophobicContact CE1-CG2 4.48Å; Y301-I348 HydrophobicContact CE2-CB 4.48Å; Y301-I348 HydrophobicContact CE2-CD1 4.21Å; Y301-I348 HydrophobicContact CE2-CG1 3.9Å; Y301-I348 HydrophobicContact CE2-CG2 4.08Å; Y301-I348 HydrophobicContact CG-CD1 4.18Å; I327-I348 HydrophobicContact CG2-CD1 3.91Å; L331-I348 HydrophobicContact CD1-CG2 3.79Å; F341-I348 HydrophobicContact CE1-CG2 4.2Å; F341-I348 HydrophobicContact CZ-CG2 3.65Å; I348-E352 HydrophobicContact CB-CB 3.83Å; I348-E352 HydrophobicContact CB-CG 4.25Å; I348-E352 HydrophobicContact CG2-CB 4.28Å; I348-E352 HydrophobicContact CG2-CG 4.42Å; I348-V353 HydrophobicContact CD1-CG2 4.17Å
349G97.3Very high98Very high15 Ų1550.7 Ų50.716%0.15528%0.282CS..  trans-109-173.5178.100000113.4I351 E352 V353G349-I351 PolarHBondContact O-N 2.81Å; G349-E352 VanDerWaalsContact CA-OE2 3.29Å; G349-E352 WeakPolarHBondContact CA-OE2 3.4Å; G349-E352 PolarHBondContact N-OE2 3.27Å; G349-E352 PolarHBondContact O-N 2.75Å; G349-V353 VanDerWaalsContact O-CG2 3.32Å; G349-V353 WeakPolarHBondContact O-CG2 3.28Å; G349-V353 PolarHBondContact O-N 3.16Å
350S97.4Very high98Very high3 Ų348.2 Ų48.22%0.02126%0.258CS..Hα-helixtrans-63.8-27.4-178.8-470000113.7Q354 M395 N456S350-Q354 PolarHBondContact O-N 3.12Å; S350-M395 PolarHBondContact OG-SD 2.96Å; S350-M395 VanDerWaalsContact OG-SD 3.35Å; S350-N456 PolarHBondContact OG-O 3.09Å
351I97.6Very high98Very high69 Ų6945 Ų4535%0.35423%0.234SC..Hα-helixtrans-71.3-47177.6-56.7-55.1000110.1G349 V353 Q354 A355 I367 F369G349-I351 PolarHBondContact O-N 2.81Å; I351-V353 VanDerWaalsContact C-N 3.33Å; I351-V353 PolarHBondContact O-N 3.29Å; I351-Q354 WeakPolarHBondContact O-CB 3.03Å; I351-Q354 PolarHBondContact O-N 3.22Å; I351-A355 PolarHBondContact O-N 3.26Å; I351-I367 HydrophobicContact CD1-CB 4.44Å; I351-I367 HydrophobicContact CD1-CD1 4.14Å; I351-I367 HydrophobicContact CD1-CG1 3.79Å; I351-I367 HydrophobicContact CD1-CG2 4.05Å; I351-F369 HydrophobicContact CD1-CE1 4.41Å; I351-F369 HydrophobicContact CD1-CZ 4.36Å
352E98.6Very high97.9Very high29 Ų2947.1 Ų47.114%0.13626%0.258CS..Hα-helixtrans-62.3-40.8174.3-69.495.6153.100111.8L331 K337 I348 G349 Q354 A355 V356L331-E352 HydrophobicContact CD1-CB 3.98Å; L331-E352 HydrophobicContact CD1-CG 4.15Å; L331-E352 HydrophobicContact CD2-CB 3.68Å; L331-E352 HydrophobicContact CD2-CG 3.88Å; L331-E352 HydrophobicContact CG-CB 4.49Å; K337-E352 IonicContact NZ-OE1 3.03Å; K337-E352 PolarHBondContact NZ-OE1 2.88Å; I348-E352 HydrophobicContact CB-CB 3.83Å; I348-E352 HydrophobicContact CB-CG 4.25Å; I348-E352 HydrophobicContact CG2-CB 4.28Å; I348-E352 HydrophobicContact CG2-CG 4.42Å; G349-E352 VanDerWaalsContact CA-OE2 3.29Å; G349-E352 WeakPolarHBondContact CA-OE2 3.4Å; G349-E352 PolarHBondContact N-OE2 3.27Å; G349-E352 PolarHBondContact O-N 2.75Å; E352-Q354 VanDerWaalsContact C-N 3.35Å; E352-Q354 PolarHBondContact O-N 2.85Å; E352-A355 PolarHBondContact O-N 3.28Å; E352-V356 WeakPolarHBondContact O-CG2 3.25Å; E352-V356 PolarHBondContact O-N 2.9Å
353V98.6Very high97.9Very high0 Ų045.5 Ų45.50%025%0.248CC..Hα-helixtrans-57.2-47.3174166.80000111A300 L304 I348 G349 I351 V356 L357 M395 C458A300-V353 HydrophobicContact CB-CG2 4.45Å; L304-V353 HydrophobicContact CB-CG1 4.37Å; L304-V353 HydrophobicContact CB-CG2 4.26Å; L304-V353 HydrophobicContact CD1-CG1 4.09Å; I348-V353 HydrophobicContact CD1-CG2 4.17Å; G349-V353 VanDerWaalsContact O-CG2 3.32Å; G349-V353 WeakPolarHBondContact O-CG2 3.28Å; G349-V353 PolarHBondContact O-N 3.16Å; I351-V353 VanDerWaalsContact C-N 3.33Å; I351-V353 PolarHBondContact O-N 3.29Å; V353-V356 PolarHBondContact O-N 2.95Å; V353-L357 HydrophobicContact CG1-CD1 4.12Å; V353-L357 WeakPolarHBondContact O-CG 3.22Å; V353-L357 PolarHBondContact O-N 3.48Å; V353-M395 HydrophobicContact CG1-CB 4.37Å; V353-M395 HydrophobicContact CG2-CE 4.13Å; V353-M395 HydrophobicContact CG2-CG 4.44Å; V353-M395 HydrophobicContact CG2-SD 4.46Å; V353-C458 HydrophobicContact CG1-CB 4.29Å
354Q98.6Very high97.9Very high54 Ų5446.7 Ų46.725%0.25224%0.243SC..Hα-helixtrans-60-45.7175.1168.2-174.948.900112S350 I351 E352 V356 L357 N358 S365 I367S350-Q354 PolarHBondContact O-N 3.12Å; I351-Q354 WeakPolarHBondContact O-CB 3.03Å; I351-Q354 PolarHBondContact O-N 3.22Å; E352-Q354 VanDerWaalsContact C-N 3.35Å; E352-Q354 PolarHBondContact O-N 2.85Å; Q354-V356 VanDerWaalsContact C-N 3.32Å; Q354-V356 PolarHBondContact O-N 3.36Å; Q354-L357 PolarHBondContact O-N 3.04Å; Q354-N358 WeakPolarHBondContact O-CB 3.41Å; Q354-N358 PolarHBondContact O-N 3.12Å; Q354-S365 PolarHBondContact NE2-O 3.01Å; Q354-I367 HydrophobicContact CB-CD1 3.99Å
355A98.7Very high97.9Very high27 Ų2746.3 Ų46.322%0.22324%0.241CC..Hα-helixtrans-60.1-42.5179.800000111.7L331 I351 E352 N358 H359L331-A355 HydrophobicContact CD2-CB 4.27Å; I351-A355 PolarHBondContact O-N 3.26Å; E352-A355 PolarHBondContact O-N 3.28Å; A355-N358 PolarHBondContact O-N 3.2Å; A355-H359 WeakPolarHBondContact O-CB 3.26Å; A355-H359 PolarHBondContact O-N 3.43Å
356V98.8Very high97.9Very high1 Ų143.7 Ų43.71%0.00623%0.234CC..Hα-helixtrans-70.2-41179.2176.70000111.8L304 I327 A330 L331 E352 V353 Q354 N358 H359 L360L304-V356 HydrophobicContact CD2-CB 3.98Å; L304-V356 HydrophobicContact CD2-CG1 3.75Å; I327-V356 HydrophobicContact CG1-CG1 4.34Å; I327-V356 HydrophobicContact CG2-CG1 4.26Å; I327-V356 HydrophobicContact CG2-CG2 4.06Å; A330-V356 HydrophobicContact CB-CG1 4.15Å; A330-V356 HydrophobicContact CB-CG2 4.08Å; L331-V356 HydrophobicContact CD1-CG2 4.27Å; L331-V356 HydrophobicContact CD2-CG2 3.66Å; L331-V356 HydrophobicContact CG-CG2 3.59Å; E352-V356 WeakPolarHBondContact O-CG2 3.25Å; E352-V356 PolarHBondContact O-N 2.9Å; V353-V356 PolarHBondContact O-N 2.95Å; Q354-V356 VanDerWaalsContact C-N 3.32Å; Q354-V356 PolarHBondContact O-N 3.36Å; V356-N358 VanDerWaalsContact C-N 3.29Å; V356-N358 PolarHBondContact O-N 2.98Å; V356-H359 PolarHBondContact O-N 3.33Å; V356-L360 HydrophobicContact CG1-CD1 3.57Å; V356-L360 HydrophobicContact CG1-CG 3.99Å; V356-L360 WeakPolarHBondContact O-CB 3.44Å; V356-L360 PolarHBondContact O-N 2.94Å
357L98.7Very high98Very high0 Ų039.8 Ų39.80%022%0.216CC..Hα-helixtrans-58.5-43.1174-74.7171.1000111.5L304 I307 V353 Q354 L361 G362 V363 P460L304-L357 HydrophobicContact CD1-CD1 4.32Å; L304-L357 HydrophobicContact CD1-CD2 3.53Å; L304-L357 HydrophobicContact CD1-CG 3.6Å; I307-L357 HydrophobicContact CG2-CD1 3.99Å; I307-L357 HydrophobicContact CG2-CD2 3.69Å; V353-L357 HydrophobicContact CG1-CD1 4.12Å; V353-L357 WeakPolarHBondContact O-CG 3.22Å; V353-L357 PolarHBondContact O-N 3.48Å; Q354-L357 PolarHBondContact O-N 3.04Å; L357-L361 HydrophobicContact CD2-CD1 4.05Å; L357-L361 WeakPolarHBondContact O-CA 3.37Å; L357-L361 WeakPolarHBondContact O-CB 3.15Å; L357-L361 PolarHBondContact O-N 2.94Å; L357-L361 VanDerWaalsContact O-N 3.08Å; L357-G362 PolarHBondContact O-N 3.26Å; L357-V363 CarbonylContact C-O 3.59Å; L357-V363 HydrophobicContact CB-CB 4.33Å; L357-V363 HydrophobicContact CB-CG1 4.48Å; L357-V363 PolarHBondContact O-N 3.21Å; L357-P460 HydrophobicContact CD1-CB 4.37Å; L357-P460 HydrophobicContact CD1-CG 3.92Å
358N98.4Very high98.1Very high88 Ų8834.5 Ų34.547%0.47120%0.197SC..Hα-helixtrans-66.5-47.3178-174.665.2000111.7Q354 A355 V356 G362 V363Q354-N358 WeakPolarHBondContact O-CB 3.41Å; Q354-N358 PolarHBondContact O-N 3.12Å; A355-N358 PolarHBondContact O-N 3.2Å; V356-N358 VanDerWaalsContact C-N 3.29Å; V356-N358 PolarHBondContact O-N 2.98Å; N358-G362 WeakPolarHBondContact O-CA 3.34Å; N358-G362 PolarHBondContact O-N 3.2Å; N358-V363 VanDerWaalsContact CA-O 3.3Å; N358-V363 WeakPolarHBondContact CA-O 3.32Å; N358-V363 PolarHBondContact N-O 3.36Å
359H98.4Very high98.1Very high79 Ų7940.5 Ų40.537%0.36622%0.223SC..Hα-helixtrans-67.8-47.7-176.9-17565.9000113.3E333 V334 A355 V356E333-H359 IonicContact OE2-CD2 3.55Å; E333-H359 IonicContact OE2-CE1 3.65Å; E333-H359 IonicContact OE2-NE2 2.87Å; E333-H359 PolarHBondContact OE2-NE2 3.49Å; V334-H359 HydrophobicContact CG1-CB 3.68Å; A355-H359 WeakPolarHBondContact O-CB 3.26Å; A355-H359 PolarHBondContact O-N 3.43Å; V356-H359 PolarHBondContact O-N 3.33Å
360L98.1Very high98Very high26 Ų2640 Ų4014%0.13622%0.217CC..Hα-helixtrans-84.6-32.6-173.2-64.8-174.4000113.5P322 A330 V356P322-L360 HydrophobicContact CB-CD1 3.91Å; P322-L360 HydrophobicContact CG-CD1 4.09Å; A330-L360 HydrophobicContact CB-CD1 4.09Å; A330-L360 HydrophobicContact CB-CD2 3.94Å; A330-L360 HydrophobicContact CB-CG 3.92Å; V356-L360 HydrophobicContact CG1-CD1 3.57Å; V356-L360 HydrophobicContact CG1-CG 3.99Å; V356-L360 WeakPolarHBondContact O-CB 3.44Å; V356-L360 PolarHBondContact O-N 2.94Å
361L96.9Very high97.9Very high21 Ų2143.8 Ų43.811%0.1124%0.243CC..Hα-helixtrans-117.4-8.3-171.8-55.5-171.7000113.6C308 F311 V317 R319 L357 V363C308-L361 HydrophobicContact CB-CD1 4.24Å; F311-L361 HydrophobicContact CB-CD1 4.2Å; F311-L361 HydrophobicContact CD2-CD1 4.42Å; V317-L361 HydrophobicContact CB-CD2 4.23Å; V317-L361 HydrophobicContact CG1-CB 3.99Å; V317-L361 HydrophobicContact CG1-CD2 4.11Å; V317-L361 HydrophobicContact CG1-CG 4.49Å; V317-L361 HydrophobicContact CG2-CD1 4.43Å; V317-L361 HydrophobicContact CG2-CD2 3.95Å; R319-L361 HydrophobicContact CB-CD2 4.13Å; L357-L361 HydrophobicContact CD2-CD1 4.05Å; L357-L361 WeakPolarHBondContact O-CA 3.37Å; L357-L361 WeakPolarHBondContact O-CB 3.15Å; L357-L361 PolarHBondContact O-N 2.94Å; L357-L361 VanDerWaalsContact O-N 3.08Å; L361-V363 HydrophobicContact CB-CB 4.3Å; L361-V363 HydrophobicContact CB-CG2 3.78Å; L361-V363 PolarHBondContact O-N 2.92Å
362G97.1Very high97.8Very high53 Ų5344.7 Ų44.755%0.54625%0.246SC..  trans66.722.3-171.600000113.1L357 N358L357-G362 PolarHBondContact O-N 3.26Å; N358-G362 WeakPolarHBondContact O-CA 3.34Å; N358-G362 PolarHBondContact O-N 3.2Å
363V97.8Very high97.7Very high0 Ų043.4 Ų43.40%024%0.241CC..  trans-95.4117.6-176169.70000110.3F311 L357 N358 L361 P460 P463F311-V363 HydrophobicContact CD1-CG2 3.79Å; F311-V363 HydrophobicContact CD2-CG2 4.31Å; F311-V363 HydrophobicContact CE1-CG1 3.93Å; F311-V363 HydrophobicContact CE1-CG2 3.69Å; F311-V363 HydrophobicContact CE2-CG1 3.77Å; F311-V363 HydrophobicContact CE2-CG2 4.23Å; F311-V363 HydrophobicContact CG-CG2 4.12Å; F311-V363 HydrophobicContact CZ-CB 4.32Å; F311-V363 HydrophobicContact CZ-CG1 3.39Å; F311-V363 HydrophobicContact CZ-CG2 3.94Å; L357-V363 CarbonylContact C-O 3.59Å; L357-V363 HydrophobicContact CB-CB 4.33Å; L357-V363 HydrophobicContact CB-CG1 4.48Å; L357-V363 PolarHBondContact O-N 3.21Å; N358-V363 VanDerWaalsContact CA-O 3.3Å; N358-V363 WeakPolarHBondContact CA-O 3.32Å; N358-V363 PolarHBondContact N-O 3.36Å; L361-V363 HydrophobicContact CB-CB 4.3Å; L361-V363 HydrophobicContact CB-CG2 3.78Å; L361-V363 PolarHBondContact O-N 2.92Å; V363-P460 HydrophobicContact CG1-CB 4.13Å; V363-P463 HydrophobicContact CG2-CG 4.26Å
364T97.9Very high97.5Very high87 Ų8746.2 Ų46.253%0.53426%0.26SS..  trans-75.6144.1170.457.70000110.8Q461T364-Q461 WeakPolarHBondContact O-CB 3.33Å; T364-Q461 PolarHBondContact O-N 3.06Å
365S98.3Very high97.3Very high15 Ų1546.9 Ų46.911%0.10526%0.263CS..EExtended strand (participates in β ladder)trans-129154.5174.7-51.80000111.2Q354 C458 L459 P460Q354-S365 PolarHBondContact NE2-O 3.01Å; S365-C458 VanDerWaalsContact CB-SG 3.54Å; S365-L459 CarbonylContact C-O 3.56Å; S365-L459 WeakPolarHBondContact CA-O 3.31Å; S365-P460 WeakPolarHBondContact OG-CA 3.3Å
366K98.4Very high97.2Very high114 Ų11445.6 Ų45.650%0.49625%0.253SS..EExtended strand (participates in β ladder)trans-97.6135.6167.2177.4179.7176.4-1780109.3L459K366-L459 HydrophobicContact CB-CB 4.31Å; K366-L459 PolarHBondContact N-O 3.5Å; K366-L459 WeakPolarHBondContact O-CB 3.41Å; K366-L459 PolarHBondContact O-N 3.33Å
367I98.4Very high97Very high25 Ų2547.2 Ų47.213%0.12827%0.266CS..EExtended strand (participates in β ladder)trans-96.1127.5169.1-55.3-61.7000109.2I351 Q354 F369 N456 L457 C458I351-I367 HydrophobicContact CD1-CB 4.44Å; I351-I367 HydrophobicContact CD1-CD1 4.14Å; I351-I367 HydrophobicContact CD1-CG1 3.79Å; I351-I367 HydrophobicContact CD1-CG2 4.05Å; Q354-I367 HydrophobicContact CB-CD1 3.99Å; I367-F369 HydrophobicContact CB-CE2 3.95Å; I367-F369 HydrophobicContact CB-CZ 3.94Å; I367-F369 HydrophobicContact CG2-CD1 4.09Å; I367-F369 HydrophobicContact CG2-CD2 4.08Å; I367-F369 HydrophobicContact CG2-CE1 3.62Å; I367-F369 HydrophobicContact CG2-CE2 3.62Å; I367-F369 HydrophobicContact CG2-CG 4.3Å; I367-F369 HydrophobicContact CG2-CZ 3.36Å; I367-N456 HydrophobicContact CG2-CB 4.45Å; I367-L457 CarbonylContact C-O 3.04Å; I367-L457 WeakPolarHBondContact CA-O 3.24Å; I367-C458 HydrophobicContact CD1-CB 3.98Å
368M98.1Very high96.8Very high13 Ų1351.1 Ų51.16%0.06429%0.293CS..EExtended strand (participates in β ladder)trans-107.4116170.5-175.8-173.2-55.700108.7V370 K379 E382 L457 L459M368-V370 HydrophobicContact CG-CG2 4.49Å; M368-K379 HydrophobicContact SD-CB 3.92Å; M368-K379 HydrophobicContact SD-CD 3.89Å; M368-K379 HydrophobicContact SD-CG 3.88Å; M368-E382 HydrophobicContact CE-CB 3.45Å; M368-E382 VanDerWaalsContact CE-CB 3.45Å; M368-E382 HydrophobicContact CE-CG 4.23Å; M368-E382 HydrophobicContact SD-CB 4.43Å; M368-L457 HydrophobicContact CB-CB 4.25Å; M368-L457 PolarHBondContact N-O 2.92Å; M368-L457 PolarHBondContact O-N 3.35Å; M368-L459 HydrophobicContact CB-CD1 3.96Å; M368-L459 HydrophobicContact CE-CD1 4.4Å; M368-L459 HydrophobicContact CE-CD2 3.82Å
369F97.3Very high96.7Very high132 Ų13249.2 Ų49.258%0.57928%0.281SS*.EExtended strand (participates in β ladder)trans-90.6133.5178.2-57.4-87.4000109.6I351 I367 N456I351-F369 HydrophobicContact CD1-CE1 4.41Å; I351-F369 HydrophobicContact CD1-CZ 4.36Å; I367-F369 HydrophobicContact CB-CE2 3.95Å; I367-F369 HydrophobicContact CB-CZ 3.94Å; I367-F369 HydrophobicContact CG2-CD1 4.09Å; I367-F369 HydrophobicContact CG2-CD2 4.08Å; I367-F369 HydrophobicContact CG2-CE1 3.62Å; I367-F369 HydrophobicContact CG2-CE2 3.62Å; I367-F369 HydrophobicContact CG2-CG 4.3Å; I367-F369 HydrophobicContact CG2-CZ 3.36Å; F369-N456 WeakPolarHBondContact CD1-OD1 3.38Å
370V96.9Very high96.6Very high4 Ų445.5 Ų45.52%0.02426%0.264CS..EExtended strand (participates in β ladder)trans-130.9122.2176.2-173.20000107.7M368 Q372 E375 L376 K379 Y454 Y455 L457M368-V370 HydrophobicContact CG-CG2 4.49Å; V370-Q372 VanDerWaalsContact C-N 3.35Å; V370-Q372 VanDerWaalsContact CG1-O 3.31Å; V370-Q372 WeakPolarHBondContact CG1-O 3.47Å; V370-Q372 PolarHBondContact O-N 3.2Å; V370-E375 HydrophobicContact CG1-CB 3.79Å; V370-L376 HydrophobicContact CB-CD2 4.37Å; V370-L376 HydrophobicContact CG1-CD2 4.28Å; V370-L376 HydrophobicContact CG1-CG 4.12Å; V370-L376 HydrophobicContact CG2-CD2 3.95Å; V370-K379 HydrophobicContact CG2-CG 4.06Å; V370-Y454 WeakPolarHBondContact O-CA 3.27Å; V370-Y455 PolarHBondContact N-O 2.93Å; V370-Y455 PolarHBondContact O-N 3.46Å; V370-L457 HydrophobicContact CG2-CD1 4.01Å
371S95.4Very high96.5Very high83 Ų8350.4 Ų50.458%0.5828%0.28SS*.SBendtrans-73.2-31.8-169.5-52.40000112.3Y454S371-Y454 WeakPolarHBondContact O-CA 3.41Å; S371-Y454 WeakPolarHBondContact O-CB 3.33Å
372Q95.4Very high96.6Very high88 Ų8852.7 Ų52.741%0.41129%0.291SS..SBendtrans-144.2142.2-176.5-70.4176.679.100110.3V370 S374 E375 A453V370-Q372 VanDerWaalsContact C-N 3.35Å; V370-Q372 VanDerWaalsContact CG1-O 3.31Å; V370-Q372 WeakPolarHBondContact CG1-O 3.47Å; V370-Q372 PolarHBondContact O-N 3.2Å; Q372-S374 PolarHBondContact O-N 3.23Å; Q372-S374 VanDerWaalsContact O-N 3.13Å; Q372-E375 HydrophobicContact CB-CG 4.31Å; Q372-E375 WeakPolarHBondContact O-CB 3.29Å; Q372-E375 PolarHBondContact O-N 3.28Å; Q372-A453 CarbonylContact C-O 3.57Å; Q372-A453 VanDerWaalsContact C-O 3.31Å; Q372-A453 WeakPolarHBondContact CA-O 3.48Å
373G94.8Very high96.7Very high2 Ų250.2 Ų50.22%0.02126%0.264CS..G310 helixtrans-59.6-26.3179.500000114.1E375 L376 D450 Q451 A453G373-E375 PolarHBondContact O-N 2.88Å; G373-L376 WeakPolarHBondContact O-CB 3.26Å; G373-L376 PolarHBondContact O-N 3.36Å; G373-L376 VanDerWaalsContact O-N 3.12Å; G373-D450 VanDerWaalsContact CA-O 3.27Å; G373-D450 WeakPolarHBondContact CA-O 3.37Å; G373-D450 PolarHBondContact N-O 3.27Å; G373-Q451 PolarHBondContact N-O 3.49Å; G373-A453 PolarHBondContact N-O 2.85Å
374S95.1Very high96.7Very high58 Ų5850.2 Ų50.241%0.40627%0.265SS..G310 helixtrans-61.9-24.7172.756.60000113.7Q372 Q451Q372-S374 PolarHBondContact O-N 3.23Å; Q372-S374 VanDerWaalsContact O-N 3.13Å; S374-Q451 VanDerWaalsContact CB-OE1 3.31Å; S374-Q451 PolarHBondContact N-O 3.09Å; S374-Q451 PolarHBondContact OG-O 3.13Å
375E95.5Very high96.7Very high69 Ų6949.9 Ų49.932%0.32226%0.26SS..G310 helixtrans-85.7-8.8178-61.1173-170.300112.9V370 Q372 G373 A377 S378V370-E375 HydrophobicContact CG1-CB 3.79Å; Q372-E375 HydrophobicContact CB-CG 4.31Å; Q372-E375 WeakPolarHBondContact O-CB 3.29Å; Q372-E375 PolarHBondContact O-N 3.28Å; G373-E375 PolarHBondContact O-N 2.88Å; E375-A377 PolarHBondContact O-N 3.13Å; E375-S378 PolarHBondContact O-N 3.45Å; E375-S378 PolarHBondContact O-OG 3.39Å
376L95.3Very high96.7Very high0 Ų049.6 Ų49.60%026%0.257CS..G310 helixtrans-59.7-36.1180-82.8164.8000111.7V370 G373 S378 K379 I396 Y419 W449 Y455 L457V370-L376 HydrophobicContact CB-CD2 4.37Å; V370-L376 HydrophobicContact CG1-CD2 4.28Å; V370-L376 HydrophobicContact CG1-CG 4.12Å; V370-L376 HydrophobicContact CG2-CD2 3.95Å; G373-L376 WeakPolarHBondContact O-CB 3.26Å; G373-L376 PolarHBondContact O-N 3.36Å; G373-L376 VanDerWaalsContact O-N 3.12Å; L376-S378 PolarHBondContact O-N 3.21Å; L376-K379 WeakPolarHBondContact O-CB 3.49Å; L376-K379 PolarHBondContact O-N 3.46Å; L376-I396 HydrophobicContact CD1-CD1 4.07Å; L376-I396 HydrophobicContact CD2-CD1 4Å; L376-Y419 PolarHBondContact O-OH 2.89Å; L376-W449 HydrophobicContact CD1-CB 3.76Å; L376-W449 VanDerWaalsContact CD1-CD1 3.43Å; L376-W449 HydrophobicContact CD1-CD2 3.54Å; L376-W449 HydrophobicContact CD1-CE3 4.23Å; L376-W449 HydrophobicContact CD1-CG 3.27Å; L376-Y455 HydrophobicContact CD1-CD2 3.82Å; L376-Y455 HydrophobicContact CD1-CE2 4.15Å; L376-Y455 HydrophobicContact CD1-CG 4.03Å; L376-L457 HydrophobicContact CD2-CD1 3.98Å
377A95Very high96.7Very high35 Ų3544.2 Ų44.229%0.28923%0.233SC..G310 helixtrans-59.3-29.8178.700000113E375 K379 I417 Y419E375-A377 PolarHBondContact O-N 3.13Å; A377-K379 PolarHBondContact O-N 2.95Å; A377-I417 HydrophobicContact CB-CG2 3.85Å; A377-Y419 WeakPolarHBondContact CA-OH 3.38Å; A377-Y419 PolarHBondContact N-OH 2.93Å
378S94.6Very high96.7Very high82 Ų8247.9 Ų47.957%0.57325%0.251SS*.G310 helixtrans-75.3-6.4176.976.60000113.6E375 L376E375-S378 PolarHBondContact O-N 3.45Å; E375-S378 PolarHBondContact O-OG 3.39Å; L376-S378 PolarHBondContact O-N 3.21Å
379K96.6Very high96.6Very high48 Ų4851.1 Ų51.121%0.20927%0.272CS..G310 helixtrans-94.37.9178.6-56.8-57.4-178.9-174.10113.9M368 V370 L376 A377 R381 E382 L383M368-K379 HydrophobicContact SD-CB 3.92Å; M368-K379 HydrophobicContact SD-CD 3.89Å; M368-K379 HydrophobicContact SD-CG 3.88Å; V370-K379 HydrophobicContact CG2-CG 4.06Å; L376-K379 WeakPolarHBondContact O-CB 3.49Å; L376-K379 PolarHBondContact O-N 3.46Å; A377-K379 PolarHBondContact O-N 2.95Å; K379-R381 VanDerWaalsContact C-N 3.29Å; K379-R381 PolarHBondContact O-N 3.37Å; K379-E382 WeakPolarHBondContact CA-OE2 3.38Å; K379-E382 IonicContact NZ-OE1 3.79Å; K379-E382 PolarHBondContact O-N 3.1Å; K379-L383 PolarHBondContact O-N 2.92Å
380G95.8Very high96.6Very high0 Ų046.7 Ų46.70%025%0.253CS..Hα-helixtrans-54.5-42.1-17900000113.9L383 A384G380-L383 PolarHBondContact O-N 3.49Å; G380-A384 VanDerWaalsContact O-CB 3.24Å; G380-A384 WeakPolarHBondContact O-CB 3.4Å; G380-A384 PolarHBondContact O-N 2.95Å
381R96.8Very high96.6Very high130 Ų13046.5 Ų46.549%0.49125%0.252SS..Hα-helixtrans-64.7-46.3178.8-175.1172.6-78.2160.5-0.6112K379 A384 N385 W410 E412K379-R381 VanDerWaalsContact C-N 3.29Å; K379-R381 PolarHBondContact O-N 3.37Å; R381-A384 PolarHBondContact O-N 3.16Å; R381-N385 WeakPolarHBondContact O-CB 3.45Å; R381-N385 PolarHBondContact O-N 2.53Å; R381-W410 HydrophobicContact CB-CH2 3.55Å; R381-W410 HydrophobicContact CB-CZ2 4.03Å; R381-W410 HydrophobicContact CB-CZ3 3.92Å; R381-W410 HydrophobicContact CG-CH2 4Å; R381-W410 HydrophobicContact CG-CZ3 4.19Å; R381-E412 IonicContact CZ-OE1 3.69Å; R381-E412 IonicContact NE-OE1 2.95Å; R381-E412 IonicContact NH2-OE1 2.7Å; R381-E412 PolarHBondContact NH2-OE1 2.91Å
382E98.2Very high96.8Very high69 Ų6942.6 Ų42.632%0.32222%0.224SC..Hα-helixtrans-64.6-40.6179.4-64.895.7131.200111.9M368 K379 H386M368-E382 HydrophobicContact CE-CB 3.45Å; M368-E382 VanDerWaalsContact CE-CB 3.45Å; M368-E382 HydrophobicContact CE-CG 4.23Å; M368-E382 HydrophobicContact SD-CB 4.43Å; K379-E382 WeakPolarHBondContact CA-OE2 3.38Å; K379-E382 IonicContact NZ-OE1 3.79Å; K379-E382 PolarHBondContact O-N 3.1Å; E382-H386 WeakPolarHBondContact O-CB 3.48Å; E382-H386 PolarHBondContact O-N 3.12Å
383L98.4Very high96.9Very high0 Ų038.4 Ų38.40%020%0.204CC..Hα-helixtrans-67.6-44.2175.9-70.9172.9000111.9K379 G380 N385 H386 F387 V408 Y419 L457K379-L383 PolarHBondContact O-N 2.92Å; G380-L383 PolarHBondContact O-N 3.49Å; L383-N385 VanDerWaalsContact C-N 3.32Å; L383-N385 PolarHBondContact O-N 3.39Å; L383-H386 WeakPolarHBondContact O-CB 3.5Å; L383-H386 PolarHBondContact O-N 2.94Å; L383-F387 WeakPolarHBondContact O-CD2 3.32Å; L383-F387 PolarHBondContact O-N 2.93Å; L383-V408 HydrophobicContact CB-CG1 3.8Å; L383-V408 HydrophobicContact CB-CG2 4.1Å; L383-V408 HydrophobicContact CD1-CG1 3.83Å; L383-V408 HydrophobicContact CG-CG1 4.43Å; L383-Y419 HydrophobicContact CD1-CD1 4.25Å; L383-Y419 HydrophobicContact CD1-CE1 3.78Å; L383-L457 HydrophobicContact CD2-CD2 3.9Å
384A98.1Very high97.1Very high1 Ų138.3 Ų38.31%0.00820%0.204CC..Hα-helixtrans-57.7-46.1175.100000111.3Y276 G380 R381 H386 F387 M388 V408 W410Y276-A384 HydrophobicContact CD1-CB 4.14Å; Y276-A384 HydrophobicContact CD2-CB 3.54Å; Y276-A384 HydrophobicContact CE1-CB 4.23Å; Y276-A384 HydrophobicContact CE2-CB 3.66Å; Y276-A384 HydrophobicContact CG-CB 3.79Å; G380-A384 VanDerWaalsContact O-CB 3.24Å; G380-A384 WeakPolarHBondContact O-CB 3.4Å; G380-A384 PolarHBondContact O-N 2.95Å; R381-A384 PolarHBondContact O-N 3.16Å; A384-H386 PolarHBondContact O-N 2.88Å; A384-F387 PolarHBondContact O-N 3.03Å; A384-M388 WeakPolarHBondContact O-CB 3.26Å; A384-M388 PolarHBondContact O-N 3.2Å; A384-V408 HydrophobicContact CB-CG2 4.15Å; A384-W410 HydrophobicContact CB-CE3 4Å
385N98.3Very high97.3Very high79 Ų7935.6 Ų35.642%0.42218%0.184SC..Hα-helixtrans-62.6-41.4176.3-80.7-6.2000112.4R381 L383 M388 T389R381-N385 WeakPolarHBondContact O-CB 3.45Å; R381-N385 PolarHBondContact O-N 2.53Å; L383-N385 VanDerWaalsContact C-N 3.32Å; L383-N385 PolarHBondContact O-N 3.39Å; N385-M388 PolarHBondContact O-N 2.99Å; N385-T389 WeakPolarHBondContact O-CB 3.43Å; N385-T389 WeakPolarHBondContact O-CG2 3.45Å; N385-T389 PolarHBondContact O-N 2.89Å; N385-T389 PolarHBondContact O-OG1 2.98Å
386H98.7Very high97.4Very high9 Ų932.3 Ų32.34%0.04217%0.169CC..Hα-helixtrans-57.9-51.9174.517681.6000111.3E382 L383 A384 M388 T389 E390 G391 T392 V394 L459 P460E382-H386 WeakPolarHBondContact O-CB 3.48Å; E382-H386 PolarHBondContact O-N 3.12Å; L383-H386 WeakPolarHBondContact O-CB 3.5Å; L383-H386 PolarHBondContact O-N 2.94Å; A384-H386 PolarHBondContact O-N 2.88Å; H386-M388 VanDerWaalsContact C-N 3.28Å; H386-M388 PolarHBondContact O-N 2.92Å; H386-T389 PolarHBondContact O-N 2.95Å; H386-E390 CarbonylContact O-C 3.58Å; H386-E390 WeakPolarHBondContact O-CA 3.43Å; H386-E390 WeakPolarHBondContact O-CB 3.3Å; H386-E390 PolarHBondContact O-N 3.1Å; H386-G391 PolarHBondContact O-N 2.89Å; H386-T392 PolarHBondContact CE1-OG1 2.85Å; H386-T392 VanDerWaalsContact CE1-OG1 3.24Å; H386-T392 PolarHBondContact NE2-O 2.91Å; H386-T392 VanDerWaalsContact NE2-O 3.09Å; H386-T392 PolarHBondContact NE2-OG1 2.97Å; H386-V394 VanDerWaalsContact CD2-CG2 3.47Å; H386-V394 WeakPolarHBondContact CD2-CG2 3.48Å; H386-V394 WeakPolarHBondContact NE2-CG2 3.33Å; H386-L459 HydrophobicContact CB-CD2 4Å; H386-P460 PolarHBondContact CE1-O 2.67Å
387F98.6Very high97.5Very high2 Ų232.8 Ų32.81%0.00917%0.174CC..Hα-helixtrans-67.9-28.1-179.1-72.2-63.3000113.5Q279 L383 A384 G391 T392 V394 I405 G407 V408Q279-F387 PolarHBondContact NE2-O 2.81Å; L383-F387 WeakPolarHBondContact O-CD2 3.32Å; L383-F387 PolarHBondContact O-N 2.93Å; A384-F387 PolarHBondContact O-N 3.03Å; F387-G391 VanDerWaalsContact O-CA 3.28Å; F387-G391 WeakPolarHBondContact O-CA 3.45Å; F387-G391 PolarHBondContact O-N 2.83Å; F387-T392 VanDerWaalsContact CE1-O 3.26Å; F387-T392 WeakPolarHBondContact CE1-O 3.39Å; F387-V394 HydrophobicContact CE1-CG2 4.34Å; F387-V394 HydrophobicContact CZ-CB 4.46Å; F387-V394 HydrophobicContact CZ-CG2 3.91Å; F387-I405 HydrophobicContact CE2-CG2 4.08Å; F387-I405 HydrophobicContact CZ-CG2 3.98Å; F387-G407 VanDerWaalsContact CE2-CA 3.49Å; F387-V408 HydrophobicContact CD2-CG2 4.34Å; F387-V408 HydrophobicContact CE2-CG1 4.48Å
388M97.2Very high97.3Very high102 Ų10231.7 Ų31.750%0.50217%0.166SC..Hα-helixtrans-70.6-44.2174.5-173173.367.200112.4Y276 Q279 A384 N385 H386Y276-M388 HydrophobicContact CD1-CB 4.26Å; Y276-M388 HydrophobicContact CE1-SD 4.47Å; Q279-M388 PolarHBondContact NE2-O 2.8Å; A384-M388 WeakPolarHBondContact O-CB 3.26Å; A384-M388 PolarHBondContact O-N 3.2Å; N385-M388 PolarHBondContact O-N 2.99Å; H386-M388 VanDerWaalsContact C-N 3.28Å; H386-M388 PolarHBondContact O-N 2.92Å
389T95.8Very high96.8Very high80 Ų8029.7 Ų29.749%0.49116%0.158SC..Hα-helixtrans-93.5-51.2-171.854.30000112.8N385 H386N385-T389 WeakPolarHBondContact O-CB 3.43Å; N385-T389 WeakPolarHBondContact O-CG2 3.45Å; N385-T389 PolarHBondContact O-N 2.89Å; N385-T389 PolarHBondContact O-OG1 2.98Å; H386-T389 PolarHBondContact O-N 2.95Å
390E97.7Very high96.3Very high40 Ų4031.6 Ų31.619%0.18717%0.174CC..THydrogen-bonded Turntrans-96.8-35-177.8-59.7-55.7144.500112.4H386 T392 R462H386-E390 CarbonylContact O-C 3.58Å; H386-E390 WeakPolarHBondContact O-CA 3.43Å; H386-E390 WeakPolarHBondContact O-CB 3.3Å; H386-E390 PolarHBondContact O-N 3.1Å; E390-T392 HydrophobicContact CB-CG2 4.38Å; E390-T392 WeakPolarHBondContact O-CG2 3.32Å; E390-T392 PolarHBondContact O-N 2.85Å; E390-R462 WeakPolarHBondContact O-CD 3.49Å; E390-R462 PolarHBondContact O-NE 3.01Å; E390-R462 PolarHBondContact O-NH2 3.21Å; E390-R462 WeakPolarHBondContact OE2-CB 3.23Å; E390-R462 PolarHBondContact OE2-N 3.02Å
391G97.7Very high96.2Very high0 Ų036.1 Ų36.10%020%0.198CC..  trans52.925.6174.800000114.9V278 Q279 H386 F387V278-G391 CarbonylContact C-O 3.5Å; V278-G391 WeakPolarHBondContact CA-O 3.48Å; V278-G391 VanDerWaalsContact CG2-O 3.29Å; V278-G391 WeakPolarHBondContact CG2-O 3.09Å; Q279-G391 PolarHBondContact N-O 2.78Å; H386-G391 PolarHBondContact O-N 2.89Å; F387-G391 VanDerWaalsContact O-CA 3.28Å; F387-G391 WeakPolarHBondContact O-CA 3.45Å; F387-G391 PolarHBondContact O-N 2.83Å
392T98.8Very high96.2Very high0 Ų030 Ų300%018%0.175CC..  trans-92.5153.7177.371.20000110.1W310 F311 H386 F387 E390 P460 R462W310-T392 HydrophobicContact CE3-CG2 4.13Å; W310-T392 HydrophobicContact CH2-CG2 3.76Å; W310-T392 HydrophobicContact CZ2-CG2 4.21Å; W310-T392 HydrophobicContact CZ3-CG2 3.7Å; F311-T392 HydrophobicContact CZ-CG2 4.15Å; H386-T392 PolarHBondContact CE1-OG1 2.85Å; H386-T392 VanDerWaalsContact CE1-OG1 3.24Å; H386-T392 PolarHBondContact NE2-O 2.91Å; H386-T392 VanDerWaalsContact NE2-O 3.09Å; H386-T392 PolarHBondContact NE2-OG1 2.97Å; F387-T392 VanDerWaalsContact CE1-O 3.26Å; F387-T392 WeakPolarHBondContact CE1-O 3.39Å; E390-T392 HydrophobicContact CB-CG2 4.38Å; E390-T392 WeakPolarHBondContact O-CG2 3.32Å; E390-T392 PolarHBondContact O-N 2.85Å; T392-P460 HydrophobicContact CG2-CB 4.48Å; T392-P460 PolarHBondContact OG1-O 3.03Å; T392-R462 HydrophobicContact CG2-CG 4.16Å
393P98.8Very high96.2Very high0 Ų027.8 Ų27.80%017%0.165CC..  trans-59.1146168-15.928.3000111V278 I307 W310 T404 L406 P460V278-P393 HydrophobicContact CG2-CG 3.91Å; I307-P393 HydrophobicContact CG1-CB 4.08Å; W310-P393 HydrophobicContact CB-CG 3.95Å; W310-P393 HydrophobicContact CG-CG 3.98Å; P393-T404 HydrophobicContact CB-CG2 3.8Å; P393-L406 HydrophobicContact CB-CD2 4.24Å; P393-P460 VanDerWaalsContact O-CD 3.31Å; P393-P460 WeakPolarHBondContact O-CD 3.27Å
394V98.9Very high96.2Very high0 Ų027.9 Ų27.90%017%0.165CC..EExtended strand (participates in β ladder)trans-115.3124.4-178.71740000108.8H386 F387 T404 I405 L457 C458 L459H386-V394 VanDerWaalsContact CD2-CG2 3.47Å; H386-V394 WeakPolarHBondContact CD2-CG2 3.48Å; H386-V394 WeakPolarHBondContact NE2-CG2 3.33Å; F387-V394 HydrophobicContact CE1-CG2 4.34Å; F387-V394 HydrophobicContact CZ-CB 4.46Å; F387-V394 HydrophobicContact CZ-CG2 3.91Å; V394-T404 CarbonylContact O-C 3.53Å; V394-T404 WeakPolarHBondContact O-CA 3.33Å; V394-I405 HydrophobicContact CB-CB 4.27Å; V394-I405 PolarHBondContact N-O 3.48Å; V394-I405 PolarHBondContact O-N 3.23Å; V394-L457 HydrophobicContact CG1-CB 3.99Å; V394-L457 HydrophobicContact CG1-CD2 4.16Å; V394-L457 HydrophobicContact CG1-CG 4.44Å; V394-C458 WeakPolarHBondContact CG1-O 3.27Å; V394-L459 HydrophobicContact CG1-CD1 3.99Å; V394-L459 HydrophobicContact CG1-CG 4.1Å; V394-L459 HydrophobicContact CG2-CG 4.06Å
395M98.7Very high96.2Very high1 Ų127.9 Ų27.91%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-84.1133.1171.2179.9-81.2-167.600108.6A300 S303 I307 S350 V353 A402 L457 C458A300-M395 HydrophobicContact CB-CE 3.46Å; A300-M395 VanDerWaalsContact CB-CE 3.46Å; S303-M395 WeakPolarHBondContact OG-CB 3.49Å; S303-M395 WeakPolarHBondContact OG-CG 3.31Å; I307-M395 HydrophobicContact CD1-CB 3.76Å; S350-M395 PolarHBondContact OG-SD 2.96Å; S350-M395 VanDerWaalsContact OG-SD 3.35Å; V353-M395 HydrophobicContact CG1-CB 4.37Å; V353-M395 HydrophobicContact CG2-CE 4.13Å; V353-M395 HydrophobicContact CG2-CG 4.44Å; V353-M395 HydrophobicContact CG2-SD 4.46Å; M395-A402 HydrophobicContact CE-CB 3.46Å; M395-A402 VanDerWaalsContact CE-CB 3.46Å; M395-L457 CarbonylContact O-C 3.57Å; M395-L457 VanDerWaalsContact O-CA 3.31Å; M395-L457 WeakPolarHBondContact O-CA 3.25Å; M395-C458 HydrophobicContact CB-CB 4.41Å; M395-C458 PolarHBondContact N-O 3.21Å; M395-C458 PolarHBondContact O-N 3.25Å
396I98.6Very high96.3Very high1 Ų124.1 Ų24.11%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-118.5128.1171.7-177.3167.3000109.4L376 A402 H403 I405 W449 Y455 N456 L457L376-I396 HydrophobicContact CD1-CD1 4.07Å; L376-I396 HydrophobicContact CD2-CD1 4Å; I396-A402 CarbonylContact O-C 3.31Å; I396-A402 WeakPolarHBondContact O-CA 3.21Å; I396-H403 HydrophobicContact CG2-CB 3.89Å; I396-H403 WeakPolarHBondContact CG2-O 3.42Å; I396-H403 PolarHBondContact N-O 3.19Å; I396-H403 PolarHBondContact O-N 2.9Å; I396-I405 HydrophobicContact CB-CD1 4.05Å; I396-I405 HydrophobicContact CB-CG1 4.47Å; I396-I405 HydrophobicContact CD1-CD1 4.09Å; I396-I405 HydrophobicContact CG2-CD1 3.9Å; I396-I405 HydrophobicContact CG2-CG1 3.87Å; I396-W449 HydrophobicContact CD1-CE3 4.27Å; I396-W449 HydrophobicContact CD1-CH2 3.86Å; I396-W449 HydrophobicContact CD1-CZ2 4.18Å; I396-W449 HydrophobicContact CD1-CZ3 3.89Å; I396-W449 HydrophobicContact CG1-CZ3 4.49Å; I396-W449 HydrophobicContact CG2-CH2 3.68Å; I396-W449 HydrophobicContact CG2-CZ3 3.94Å; I396-Y455 HydrophobicContact CD1-CD1 3.79Å; I396-Y455 HydrophobicContact CD1-CG 4.17Å; I396-Y455 HydrophobicContact CG1-CD1 3.78Å; I396-Y455 HydrophobicContact CG1-CG 4.42Å; I396-N456 WeakPolarHBondContact CA-O 3.48Å; I396-L457 HydrophobicContact CB-CG 3.98Å; I396-L457 HydrophobicContact CD1-CD1 3.76Å; I396-L457 HydrophobicContact CD1-CD2 4.2Å; I396-L457 HydrophobicContact CD1-CG 3.82Å; I396-L457 HydrophobicContact CG1-CD1 3.93Å; I396-L457 HydrophobicContact CG1-CG 3.79Å
397G96.6Very high96.3Very high10 Ų1023.7 Ų23.710%0.10314%0.143CC..EExtended strand (participates in β ladder)trans-116.2131.8175.100000111.1L401 Y455 N456G397-L401 WeakPolarHBondContact CA-O 3.14Å; G397-Y455 WeakPolarHBondContact O-CA 3.42Å; G397-N456 PolarHBondContact N-O 3.44Å; G397-N456 PolarHBondContact O-N 3.29Å
398G91.3Very high96.3Very high12 Ų1223.6 Ų23.612%0.12414%0.142CC..EExtended strand (participates in β ladder)trans-136.8111.4173.100000110V400 L401 Y454G398-V400 PolarHBondContact O-N 2.87Å; G398-L401 PolarHBondContact N-O 3.42Å; G398-L401 PolarHBondContact O-N 3.45Å; G398-Y454 WeakPolarHBondContact CA-O 3.41Å
399G83.6Confident96.3Very high39 Ų3918.8 Ų18.840%0.40212%0.119SC..THydrogen-bonded Turntrans58.1-122.7-169.100000111.8
400V86.1Confident96.4Very high88 Ų8816.2 Ų16.253%0.53310%0.1SC..THydrogen-bonded Turntrans-93.7-0.5-179.7-59.80000113.9C299 W347 G398C299-V400 PolarHBondContact SG-O 2.82Å; W347-V400 HydrophobicContact CD2-CG1 4.42Å; W347-V400 HydrophobicContact CZ2-CG1 4.25Å; G398-V400 PolarHBondContact O-N 2.87Å
401L92.6Very high96.3Very high96 Ų9614.3 Ų14.350%0.5039%0.091SC..EExtended strand (participates in β ladder)trans-104.3145-178.7-62.4177.6000110.7G397 G398G397-L401 WeakPolarHBondContact CA-O 3.14Å; G398-L401 PolarHBondContact N-O 3.42Å; G398-L401 PolarHBondContact O-N 3.45Å
402A97.1Very high96Very high2 Ų220 Ų202%0.01712%0.118CC..EExtended strand (participates in β ladder)trans-136.2146.5173.900000111.6C299 A300 M395 I396 P424 H425C299-A402 HydrophobicContact CB-CB 4.09Å; C299-A402 PolarHBondContact SG-N 3.02Å; C299-A402 VanDerWaalsContact SG-N 3.39Å; A300-A402 HydrophobicContact CB-CB 3.93Å; M395-A402 HydrophobicContact CE-CB 3.46Å; M395-A402 VanDerWaalsContact CE-CB 3.46Å; I396-A402 CarbonylContact O-C 3.31Å; I396-A402 WeakPolarHBondContact O-CA 3.21Å; A402-P424 WeakPolarHBondContact O-CD 3.45Å; A402-P424 WeakPolarHBondContact O-CG 3.46Å; A402-H425 PolarHBondContact O-CE1 3.47Å
403H98.6Very high95.7Very high22 Ų2225.1 Ų25.110%0.10215%0.149CC..EExtended strand (participates in β ladder)trans-134.5167.1174.8-62.285.9000110.2I396 I421 D423 H425 F448I396-H403 HydrophobicContact CG2-CB 3.89Å; I396-H403 WeakPolarHBondContact CG2-O 3.42Å; I396-H403 PolarHBondContact N-O 3.19Å; I396-H403 PolarHBondContact O-N 2.9Å; H403-I421 HydrophobicContact CB-CG2 3.97Å; H403-D423 IonicContact CD2-OD1 3.91Å; H403-D423 IonicContact NE2-OD1 3.82Å; H403-D423 IonicContact NE2-OD2 2.68Å; H403-H425 AromaticContact NE2-CE1 3.84Å; H403-H425 AromaticContact NE2-ND1 3.85Å; H403-F448 AromaticContact CD2-CZ 3.92Å; H403-F448 AromaticContact NE2-CZ 3.65Å
404T98.9Very high95.4Very high2 Ų228.5 Ų28.51%0.01217%0.17CC..EExtended strand (participates in β ladder)trans-110.8121.8171.4-45.60000109.5S303 T306 P393 V394 L406 L422S303-T404 WeakPolarHBondContact CB-OG1 3.47Å; S303-T404 PolarHBondContact OG-OG1 3.18Å; T306-T404 HydrophobicContact CG2-CG2 4.27Å; P393-T404 HydrophobicContact CB-CG2 3.8Å; V394-T404 CarbonylContact O-C 3.53Å; V394-T404 WeakPolarHBondContact O-CA 3.33Å; T404-L406 HydrophobicContact CG2-CD2 4.13Å; T404-L422 PolarHBondContact N-O 2.87Å; T404-L422 PolarHBondContact O-N 2.65Å
405I98.9Very high95.1Very high0 Ų030.4 Ų30.40%019%0.189CC..EExtended strand (participates in β ladder)trans-88.6123.3171.1-56.5169.7000107.7F387 V394 I396 G407 Y419 L420 I421 W449 L457F387-I405 HydrophobicContact CE2-CG2 4.08Å; F387-I405 HydrophobicContact CZ-CG2 3.98Å; V394-I405 HydrophobicContact CB-CB 4.27Å; V394-I405 PolarHBondContact N-O 3.48Å; V394-I405 PolarHBondContact O-N 3.23Å; I396-I405 HydrophobicContact CB-CD1 4.05Å; I396-I405 HydrophobicContact CB-CG1 4.47Å; I396-I405 HydrophobicContact CD1-CD1 4.09Å; I396-I405 HydrophobicContact CG2-CD1 3.9Å; I396-I405 HydrophobicContact CG2-CG1 3.87Å; I405-G407 WeakPolarHBondContact CG2-O 3.45Å; I405-Y419 HydrophobicContact CD1-CD1 4.48Å; I405-L420 WeakPolarHBondContact CA-O 3.47Å; I405-I421 HydrophobicContact CG1-CD1 3.77Å; I405-W449 HydrophobicContact CD1-CH2 4.35Å; I405-W449 HydrophobicContact CD1-CZ2 4.22Å; I405-W449 HydrophobicContact CG1-CH2 4.38Å; I405-W449 HydrophobicContact CG1-CZ2 4.48Å; I405-L457 HydrophobicContact CD1-CD2 3.97Å
406L98.9Very high94.9Very high0 Ų034.1 Ų34.10%021%0.207CC..EExtended strand (participates in β ladder)trans-103.3-7.8179.9-58.6171.1000112.9H262 L277 V278 Y282 P393 T404 L420 L422H262-L406 HydrophobicContact CB-CD1 4.07Å; L277-L406 CarbonylContact C-O 3.46Å; V278-L406 WeakPolarHBondContact CB-O 3.34Å; V278-L406 HydrophobicContact CG1-CB 4.22Å; V278-L406 HydrophobicContact CG1-CD2 4.47Å; V278-L406 PolarHBondContact N-O 2.97Å; Y282-L406 HydrophobicContact CD1-CD2 4.46Å; Y282-L406 HydrophobicContact CE1-CD1 4.47Å; Y282-L406 HydrophobicContact CE1-CD2 3.84Å; Y282-L406 HydrophobicContact CE2-CD1 4.37Å; Y282-L406 HydrophobicContact CE2-CD2 3.98Å; Y282-L406 WeakPolarHBondContact OH-CD1 3.39Å; P393-L406 HydrophobicContact CB-CD2 4.24Å; T404-L406 HydrophobicContact CG2-CD2 4.13Å; L406-L420 HydrophobicContact CB-CB 4.47Å; L406-L420 HydrophobicContact CB-CD2 3.7Å; L406-L420 HydrophobicContact CB-CG 3.91Å; L406-L420 HydrophobicContact CD1-CD2 4.34Å; L406-L420 HydrophobicContact CD1-CG 4.29Å; L406-L420 PolarHBondContact N-O 2.72Å; L406-L422 HydrophobicContact CD1-CB 3.64Å; L406-L422 HydrophobicContact CD1-CD1 4.49Å; L406-L422 HydrophobicContact CD1-CD2 4.31Å; L406-L422 HydrophobicContact CD1-CG 4.39Å; L406-L422 HydrophobicContact CD2-CB 4.42Å; L406-L422 HydrophobicContact CD2-CD2 4.38Å; L406-L422 HydrophobicContact CG-CB 3.96Å
407G98.6Very high94.9Very high0 Ų034.2 Ų34.20%021%0.207CC..EExtended strand (participates in β ladder)trans171.5171.1-178.300000113.3Y276 F387 I405 L420Y276-G407 CarbonylContact O-C 3.57Å; Y276-G407 WeakPolarHBondContact O-CA 2.97Å; F387-G407 VanDerWaalsContact CE2-CA 3.49Å; I405-G407 WeakPolarHBondContact CG2-O 3.45Å; G407-L420 PolarHBondContact O-N 3.32Å
408V98.6Very high95Very high0 Ų038.1 Ų38.10%022%0.219CC..EExtended strand (participates in β ladder)trans-132.7141.5173.7-66.10000110.4Y276 L383 A384 F387 I417 R418 Y419Y276-V408 HydrophobicContact CD2-CG2 4.34Å; Y276-V408 PolarHBondContact N-O 3.43Å; Y276-V408 PolarHBondContact O-N 2.9Å; L383-V408 HydrophobicContact CB-CG1 3.8Å; L383-V408 HydrophobicContact CB-CG2 4.1Å; L383-V408 HydrophobicContact CD1-CG1 3.83Å; L383-V408 HydrophobicContact CG-CG1 4.43Å; A384-V408 HydrophobicContact CB-CG2 4.15Å; F387-V408 HydrophobicContact CD2-CG2 4.34Å; F387-V408 HydrophobicContact CE2-CG1 4.48Å; V408-I417 HydrophobicContact CB-CD1 4.47Å; V408-I417 HydrophobicContact CG1-CD1 4.33Å; V408-R418 VanDerWaalsContact CA-O 3.32Å; V408-R418 WeakPolarHBondContact CA-O 3.49Å; V408-Y419 HydrophobicContact CG1-CD1 3.97Å; V408-Y419 HydrophobicContact CG1-CE1 4.33Å
409A98.3Very high95.3Very high1 Ų137.5 Ų37.51%0.00821%0.213CC..EExtended strand (participates in β ladder)trans-103.6119.7161.500000105.9P268 L270 K274 V275 I417 R418 W443P268-A409 HydrophobicContact CG-CB 3.57Å; L270-A409 HydrophobicContact CD1-CB 3.89Å; L270-A409 WeakPolarHBondContact CD1-O 3.49Å; L270-A409 HydrophobicContact CG-CB 4.49Å; K274-A409 CarbonylContact O-C 3.57Å; K274-A409 WeakPolarHBondContact O-CA 3.42Å; V275-A409 HydrophobicContact CG2-CB 4.04Å; A409-I417 CarbonylContact O-C 3.53Å; A409-I417 VanDerWaalsContact O-CA 3.27Å; A409-I417 WeakPolarHBondContact O-CA 3.38Å; A409-R418 HydrophobicContact CB-CB 4.27Å; A409-R418 PolarHBondContact N-O 3.45Å; A409-R418 PolarHBondContact O-N 2.9Å; A409-W443 HydrophobicContact CB-CE3 4.35Å; A409-W443 HydrophobicContact CB-CH2 3.98Å; A409-W443 HydrophobicContact CB-CZ3 3.78Å
410W97.6Very high96Very high27 Ų2735.7 Ų35.710%0.10219%0.194CC..EExtended strand (participates in β ladder)trans-138.8130.1-170.3-179.252.1000110.6G273 K274 R381 A384 E412 E416 I417G273-W410 WeakPolarHBondContact CA-O 3.45Å; K274-W410 PolarHBondContact N-O 3.25Å; K274-W410 PolarHBondContact O-N 3.24Å; R381-W410 HydrophobicContact CB-CH2 3.55Å; R381-W410 HydrophobicContact CB-CZ2 4.03Å; R381-W410 HydrophobicContact CB-CZ3 3.92Å; R381-W410 HydrophobicContact CG-CH2 4Å; R381-W410 HydrophobicContact CG-CZ3 4.19Å; A384-W410 HydrophobicContact CB-CE3 4Å; W410-E412 HydrophobicContact CH2-CB 3.88Å; W410-E412 HydrophobicContact CH2-CG 3.85Å; W410-E412 HydrophobicContact CZ2-CB 4.28Å; W410-E412 HydrophobicContact CZ2-CG 4.41Å; W410-E412 HydrophobicContact CZ3-CB 4.09Å; W410-E412 HydrophobicContact CZ3-CG 4.38Å; W410-E416 WeakPolarHBondContact CA-O 3.49Å; W410-I417 HydrophobicContact CB-CG1 4.45Å
411S96.3Very high96.6Very high0 Ų031.6 Ų31.60%017%0.169CC..EExtended strand (participates in β ladder)trans-98.2115.5169.1-1790000109.4D271 T413 T414 G415 E416D271-S411 VanDerWaalsContact O-CB 3.27Å; D271-S411 WeakPolarHBondContact O-CB 3.31Å; D271-S411 PolarHBondContact O-OG 3.18Å; S411-T413 PolarHBondContact O-N 2.95Å; S411-T413 PolarHBondContact OG-N 3.28Å; S411-T414 WeakPolarHBondContact CB-OG1 3.37Å; S411-T414 PolarHBondContact OG-N 3.08Å; S411-T414 PolarHBondContact OG-OG1 2.66Å; S411-G415 VanDerWaalsContact O-CA 3.28Å; S411-G415 WeakPolarHBondContact O-CA 3.12Å; S411-G415 PolarHBondContact O-N 2.81Å; S411-E416 PolarHBondContact N-O 3.46Å
412E90.8Very high96.9Very high119 Ų11927.1 Ų27.156%0.55615%0.145SC*.THydrogen-bonded Turntrans-65.8-27.6175-177164.3-14600111.8R381 W410R381-E412 IonicContact CZ-OE1 3.69Å; R381-E412 IonicContact NE-OE1 2.95Å; R381-E412 IonicContact NH2-OE1 2.7Å; R381-E412 PolarHBondContact NH2-OE1 2.91Å; W410-E412 HydrophobicContact CH2-CB 3.88Å; W410-E412 HydrophobicContact CH2-CG 3.85Å; W410-E412 HydrophobicContact CZ2-CB 4.28Å; W410-E412 HydrophobicContact CZ2-CG 4.41Å; W410-E412 HydrophobicContact CZ3-CB 4.09Å; W410-E412 HydrophobicContact CZ3-CG 4.38Å
413T91.6Very high97Very high107 Ų10728.1 Ų28.166%0.65615%0.151SC*.THydrogen-bonded Turntrans-79.4-48.3-178.2-49.60000112.2S411S411-T413 PolarHBondContact O-N 2.95Å; S411-T413 PolarHBondContact OG-N 3.28Å
414T92.8Very high97Very high72 Ų7227.1 Ų27.144%0.44215%0.146SC..THydrogen-bonded Turntrans-93.8-17.6-17568.60000113D271 S411 E416D271-T414 HydrophobicContact CB-CG2 4.46Å; S411-T414 WeakPolarHBondContact CB-OG1 3.37Å; S411-T414 PolarHBondContact OG-N 3.08Å; S411-T414 PolarHBondContact OG-OG1 2.66Å; T414-E416 PolarHBondContact O-N 3.36Å; T414-E416 WeakPolarHBondContact OG1-CB 3.02Å; T414-E416 PolarHBondContact OG1-N 3.09Å
415G92.1Very high97Very high39 Ų3928.7 Ų28.740%0.40215%0.153SC..  trans75.3-1.2-170.400000113.8S411 I417S411-G415 VanDerWaalsContact O-CA 3.28Å; S411-G415 WeakPolarHBondContact O-CA 3.12Å; S411-G415 PolarHBondContact O-N 2.81Å; G415-I417 PolarHBondContact O-N 3.41Å
416E95.7Very high97Very high80 Ų8029.4 Ų29.437%0.37416%0.156SC..  trans-63.4135.8178.1-168.7179.2178.400110.4L270 W410 S411 T414 R418L270-E416 HydrophobicContact CD1-CG 4.42Å; L270-E416 HydrophobicContact CD2-CG 4.15Å; L270-E416 WeakPolarHBondContact CD2-OE1 2.96Å; W410-E416 WeakPolarHBondContact CA-O 3.49Å; S411-E416 PolarHBondContact N-O 3.46Å; T414-E416 PolarHBondContact O-N 3.36Å; T414-E416 WeakPolarHBondContact OG1-CB 3.02Å; T414-E416 PolarHBondContact OG1-N 3.09Å; E416-R418 IonicContact OE1-NE 3.73Å; E416-R418 IonicContact OE1-NH2 2.86Å
417I97.6Very high96.9Very high2 Ų232.8 Ų32.81%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-139.7141.6-177.5-170.7165.7000112.2A377 V408 A409 W410 G415 Y419 P446A377-I417 HydrophobicContact CB-CG2 3.85Å; V408-I417 HydrophobicContact CB-CD1 4.47Å; V408-I417 HydrophobicContact CG1-CD1 4.33Å; A409-I417 CarbonylContact O-C 3.53Å; A409-I417 VanDerWaalsContact O-CA 3.27Å; A409-I417 WeakPolarHBondContact O-CA 3.38Å; W410-I417 HydrophobicContact CB-CG1 4.45Å; G415-I417 PolarHBondContact O-N 3.41Å; I417-Y419 HydrophobicContact CD1-CE1 3.86Å; I417-Y419 HydrophobicContact CG1-CE1 4.34Å; I417-Y419 HydrophobicContact CG1-CE2 4.36Å; I417-Y419 HydrophobicContact CG2-CE2 4.12Å; I417-P446 HydrophobicContact CG2-CG 4.04Å
418R98.3Very high96.9Very high92 Ų9234.3 Ų34.335%0.34719%0.192SC..EExtended strand (participates in β ladder)trans-125.7145.9166.9-57.2-66.9-176.3146.2-2.5109.5P268 L270 V408 A409 E416 W443 K444P268-R418 HydrophobicContact CB-CG 4.27Å; P268-R418 HydrophobicContact CG-CB 4.15Å; P268-R418 HydrophobicContact CG-CG 4.14Å; L270-R418 HydrophobicContact CD1-CG 4.49Å; L270-R418 HydrophobicContact CD2-CG 4.19Å; V408-R418 VanDerWaalsContact CA-O 3.32Å; V408-R418 WeakPolarHBondContact CA-O 3.49Å; A409-R418 HydrophobicContact CB-CB 4.27Å; A409-R418 PolarHBondContact N-O 3.45Å; A409-R418 PolarHBondContact O-N 2.9Å; E416-R418 IonicContact OE1-NE 3.73Å; E416-R418 IonicContact OE1-NH2 2.86Å; R418-W443 HydrophobicContact CB-CE3 3.78Å; R418-W443 HydrophobicContact CB-CZ3 4.35Å; R418-W443 WeakPolarHBondContact O-CZ3 3.39Å; R418-K444 CarbonylContact C-O 3.59Å; R418-K444 VanDerWaalsContact CA-O 3.3Å; R418-K444 WeakPolarHBondContact CA-O 3.39Å
419Y98.6Very high96.8Very high0 Ų038 Ų380%022%0.222CC..EExtended strand (participates in β ladder)trans-108.6130.1178.1-55.1-88.9000109.5L376 A377 L383 I405 V408 I417 I421 W443 K444 W449L376-Y419 PolarHBondContact O-OH 2.89Å; A377-Y419 WeakPolarHBondContact CA-OH 3.38Å; A377-Y419 PolarHBondContact N-OH 2.93Å; L383-Y419 HydrophobicContact CD1-CD1 4.25Å; L383-Y419 HydrophobicContact CD1-CE1 3.78Å; I405-Y419 HydrophobicContact CD1-CD1 4.48Å; V408-Y419 HydrophobicContact CG1-CD1 3.97Å; V408-Y419 HydrophobicContact CG1-CE1 4.33Å; I417-Y419 HydrophobicContact CD1-CE1 3.86Å; I417-Y419 HydrophobicContact CG1-CE1 4.34Å; I417-Y419 HydrophobicContact CG1-CE2 4.36Å; I417-Y419 HydrophobicContact CG2-CE2 4.12Å; Y419-I421 PolarHBondContact O-N 2.85Å; Y419-W443 CarbonylContact O-C 3.5Å; Y419-W443 WeakPolarHBondContact O-CA 3.24Å; Y419-K444 PolarHBondContact N-O 3.26Å; Y419-K444 PolarHBondContact O-N 2.74Å; Y419-W449 HydrophobicContact CD1-CZ2 4.33Å; Y419-W449 HydrophobicContact CD2-CZ2 4.37Å; Y419-W449 AromaticContact CD2-NE1 3.35Å; Y419-W449 AromaticContact CE2-CD1 3.98Å; Y419-W449 AromaticContact CE2-NE1 3.28Å; Y419-W449 VanDerWaalsContact CE2-NE1 3.28Å; Y419-W449 HydrophobicContact CG-CZ2 4.07Å; Y419-W449 AromaticContact CG-NE1 3.87Å; Y419-W449 AromaticContact CZ-NE1 3.72Å
420L98.8Very high96.7Very high1 Ų141 Ų411%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-85.9108170.5176.763.4000108.4H262 L265 L277 I405 L406 G407 W443H262-L420 HydrophobicContact CB-CD1 4.27Å; H262-L420 HydrophobicContact CB-CD2 3.72Å; H262-L420 HydrophobicContact CB-CG 4.4Å; L265-L420 HydrophobicContact CD1-CD1 3.6Å; L277-L420 HydrophobicContact CD2-CD2 3.7Å; I405-L420 WeakPolarHBondContact CA-O 3.47Å; L406-L420 HydrophobicContact CB-CB 4.47Å; L406-L420 HydrophobicContact CB-CD2 3.7Å; L406-L420 HydrophobicContact CB-CG 3.91Å; L406-L420 HydrophobicContact CD1-CD2 4.34Å; L406-L420 HydrophobicContact CD1-CG 4.29Å; L406-L420 PolarHBondContact N-O 2.72Å; G407-L420 PolarHBondContact O-N 3.32Å; L420-W443 HydrophobicContact CB-CD2 4.01Å; L420-W443 HydrophobicContact CB-CE3 3.79Å; L420-W443 HydrophobicContact CB-CH2 3.76Å; L420-W443 HydrophobicContact CB-CZ2 3.97Å; L420-W443 HydrophobicContact CB-CZ3 3.65Å; L420-W443 HydrophobicContact CD1-CD2 4.23Å; L420-W443 HydrophobicContact CD1-CG 4.39Å; L420-W443 HydrophobicContact CD2-CZ2 4.27Å; L420-W443 HydrophobicContact CG-CZ2 4.49Å
421I98.8Very high96.6Very high2 Ų242.9 Ų42.91%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-102.9136.4-175.1-55.6-54.8000110.3H403 I405 Y419 C441 G442 K444 F448 W449H403-I421 HydrophobicContact CB-CG2 3.97Å; I405-I421 HydrophobicContact CG1-CD1 3.77Å; Y419-I421 PolarHBondContact O-N 2.85Å; I421-C441 CarbonylContact O-C 3.53Å; I421-C441 VanDerWaalsContact O-CA 3.3Å; I421-C441 WeakPolarHBondContact O-CA 3.36Å; I421-G442 PolarHBondContact N-O 2.93Å; I421-G442 PolarHBondContact O-N 2.87Å; I421-K444 HydrophobicContact CB-CG 4.1Å; I421-K444 HydrophobicContact CG1-CB 4.11Å; I421-K444 HydrophobicContact CG1-CG 3.69Å; I421-F448 HydrophobicContact CG1-CD1 4.38Å; I421-F448 HydrophobicContact CG1-CE1 4.13Å; I421-F448 HydrophobicContact CG2-CE1 4.33Å; I421-F448 HydrophobicContact CG2-CZ 4.31Å; I421-W449 HydrophobicContact CD1-CH2 3.62Å; I421-W449 HydrophobicContact CD1-CZ2 3.71Å
422L98.9Very high96.6Very high1 Ų145.7 Ų45.71%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-113113.2162.8-173.171.6000108.5P261 Y282 Y284 T306 T404 L406 P424 C441P261-L422 HydrophobicContact CG-CD1 3.71Å; Y282-L422 HydrophobicContact CD2-CD2 4.38Å; Y282-L422 HydrophobicContact CE2-CD2 3.7Å; Y284-L422 HydrophobicContact CD1-CD1 4.03Å; Y284-L422 HydrophobicContact CD2-CD1 3.52Å; Y284-L422 HydrophobicContact CD2-CD2 3.49Å; Y284-L422 VanDerWaalsContact CD2-CD2 3.49Å; Y284-L422 HydrophobicContact CD2-CG 3.46Å; Y284-L422 VanDerWaalsContact CD2-CG 3.46Å; Y284-L422 HydrophobicContact CE1-CD1 4.08Å; Y284-L422 HydrophobicContact CE2-CD1 3.58Å; Y284-L422 HydrophobicContact CE2-CD2 4.07Å; Y284-L422 HydrophobicContact CE2-CG 3.51Å; Y284-L422 HydrophobicContact CG-CD1 3.74Å; Y284-L422 HydrophobicContact CG-CD2 4.08Å; Y284-L422 HydrophobicContact CG-CG 4.16Å; T306-L422 HydrophobicContact CG2-CD2 4.02Å; T404-L422 PolarHBondContact N-O 2.87Å; T404-L422 PolarHBondContact O-N 2.65Å; L406-L422 HydrophobicContact CD1-CB 3.64Å; L406-L422 HydrophobicContact CD1-CD1 4.49Å; L406-L422 HydrophobicContact CD1-CD2 4.31Å; L406-L422 HydrophobicContact CD1-CG 4.39Å; L406-L422 HydrophobicContact CD2-CB 4.42Å; L406-L422 HydrophobicContact CD2-CD2 4.38Å; L406-L422 HydrophobicContact CG-CB 3.96Å; L422-P424 WeakPolarHBondContact O-CD 3.3Å; L422-C441 HydrophobicContact CD1-CB 3.75Å
423D98.7Very high96.9Very high24 Ų2444.8 Ų44.813%0.12826%0.259CS..  trans-92.3111.7-169-173.4-17.9000110.8Y284 H403 H425 W440Y284-D423 WeakPolarHBondContact CE2-O 3.42Å; Y284-D423 PolarHBondContact OH-O 3.21Å; H403-D423 IonicContact CD2-OD1 3.91Å; H403-D423 IonicContact NE2-OD1 3.82Å; H403-D423 IonicContact NE2-OD2 2.68Å; D423-H425 PolarHBondContact O-N 3.44Å; D423-H425 VanDerWaalsContact OD1-CB 3.3Å; D423-H425 WeakPolarHBondContact OD1-CB 3.28Å; D423-H425 IonicContact OD1-CE1 3.35Å; D423-H425 IonicContact OD1-CG 3.23Å; D423-H425 PolarHBondContact OD1-N 2.9Å; D423-H425 IonicContact OD1-ND1 3.42Å; D423-H425 PolarHBondContact OD1-ND1 2.79Å; D423-W440 HydrophobicContact CB-CE3 3.96Å; D423-W440 VanDerWaalsContact CB-O 3.25Å; D423-W440 WeakPolarHBondContact CB-O 3.48Å; D423-W440 PolarHBondContact N-O 2.76Å
424P98.6Very high97.2Very high1 Ų141.5 Ų41.51%0.00624%0.239CC..THydrogen-bonded Turntrans-70.6-9-178.729.9-34.9000114H286 Y287 C299 R302 A402 L422 Y426H286-P424 CarbonylContact C-O 3.58Å; H286-P424 WeakPolarHBondContact CA-O 3.48Å; H286-P424 WeakPolarHBondContact CB-O 3.39Å; Y287-P424 PolarHBondContact N-O 3.49Å; C299-P424 HydrophobicContact CB-CG 3.9Å; C299-P424 WeakPolarHBondContact O-CG 3.29Å; R302-P424 HydrophobicContact CB-CB 3.62Å; R302-P424 HydrophobicContact CG-CB 4.49Å; A402-P424 WeakPolarHBondContact O-CD 3.45Å; A402-P424 WeakPolarHBondContact O-CG 3.46Å; L422-P424 WeakPolarHBondContact O-CD 3.3Å; P424-Y426 PolarHBondContact O-N 2.89Å
425H98.6Very high97.4Very high35 Ų3538.1 Ų38.116%0.16222%0.218CC..THydrogen-bonded Turntrans-80-3.5-175.2-52.692.8000113.7Y287 C299 A402 H403 D423 T427 W440Y287-H425 HydrophobicContact CD2-CB 4.23Å; Y287-H425 HydrophobicContact CE2-CB 4Å; Y287-H425 AromaticContact CE2-CD2 3.61Å; Y287-H425 AromaticContact CZ-CD2 3.72Å; Y287-H425 PolarHBondContact OH-CD2 3.43Å; C299-H425 VanDerWaalsContact CB-NE2 3.32Å; C299-H425 WeakPolarHBondContact CB-NE2 3.5Å; A402-H425 PolarHBondContact O-CE1 3.47Å; H403-H425 AromaticContact NE2-CE1 3.84Å; H403-H425 AromaticContact NE2-ND1 3.85Å; D423-H425 PolarHBondContact O-N 3.44Å; D423-H425 VanDerWaalsContact OD1-CB 3.3Å; D423-H425 WeakPolarHBondContact OD1-CB 3.28Å; D423-H425 IonicContact OD1-CE1 3.35Å; D423-H425 IonicContact OD1-CG 3.23Å; D423-H425 PolarHBondContact OD1-N 2.9Å; D423-H425 IonicContact OD1-ND1 3.42Å; D423-H425 PolarHBondContact OD1-ND1 2.79Å; H425-T427 WeakPolarHBondContact O-CG2 3.34Å; H425-T427 PolarHBondContact O-N 3.31Å; H425-W440 HydrophobicContact CB-CZ3 4.12Å
426Y98.6Very high97.6Very high14 Ų1437.3 Ų37.36%0.05521%0.205CC..  trans-60.9131.6175.3179.8-118.5000111.1Y284 H286 Y287 P424 G428 A429 V434 I435 W440Y284-Y426 HydrophobicContact CE1-CD1 4.36Å; Y284-Y426 VanDerWaalsContact OH-CB 3.28Å; Y284-Y426 WeakPolarHBondContact OH-CB 3.15Å; H286-Y426 WeakPolarHBondContact CB-O 3.41Å; H286-Y426 AromaticContact CD2-CD1 3.81Å; H286-Y426 AromaticContact CE1-CD1 3.59Å; H286-Y426 AromaticContact CE1-CE1 3.97Å; H286-Y426 AromaticContact CG-CD1 3.9Å; H286-Y426 AromaticContact ND1-CD1 3.77Å; H286-Y426 PolarHBondContact ND1-O 3.21Å; H286-Y426 AromaticContact NE2-CD1 3.58Å; H286-Y426 AromaticContact NE2-CE1 3.91Å; Y287-Y426 WeakPolarHBondContact CB-O 3.49Å; Y287-Y426 PolarHBondContact N-O 3.13Å; Y287-Y426 VanDerWaalsContact N-O 3.16Å; P424-Y426 PolarHBondContact O-N 2.89Å; Y426-G428 WeakPolarHBondContact CE1-O 3.37Å; Y426-G428 WeakPolarHBondContact OH-CA 3.43Å; Y426-A429 WeakPolarHBondContact CE1-O 3.25Å; Y426-A429 VanDerWaalsContact CZ-O 3.31Å; Y426-A429 PolarHBondContact OH-N 2.91Å; Y426-A429 PolarHBondContact OH-O 2.85Å; Y426-V434 HydrophobicContact CE2-CG1 4.09Å; Y426-I435 HydrophobicContact CD1-CD1 4.22Å; Y426-I435 HydrophobicContact CD1-CG1 3.97Å; Y426-I435 HydrophobicContact CE1-CD1 3.82Å; Y426-I435 HydrophobicContact CE1-CG1 3.66Å; Y426-I435 HydrophobicContact CE2-CG1 4.49Å; Y426-W440 AromaticContact CD2-CD1 3.67Å; Y426-W440 AromaticContact CD2-CD2 3.74Å; Y426-W440 HydrophobicContact CD2-CD2 3.74Å; Y426-W440 AromaticContact CD2-CE2 3.55Å; Y426-W440 HydrophobicContact CD2-CE3 4.45Å; Y426-W440 AromaticContact CD2-CG 3.83Å; Y426-W440 HydrophobicContact CD2-CG 3.83Å; Y426-W440 HydrophobicContact CD2-CZ2 4.11Å; Y426-W440 AromaticContact CD2-NE1 3.49Å; Y426-W440 AromaticContact CE2-NE1 3.9Å; Y426-W440 HydrophobicContact CG-CD2 4.14Å; Y426-W440 HydrophobicContact CG-CG 4.17Å
427T98.1Very high97.6Very high72 Ų7239.5 Ų39.544%0.44222%0.216SC..  trans-115.90.6-176.162.50000113.6Y287 M288 H425Y287-T427 HydrophobicContact CD2-CG2 4.2Å; M288-T427 HydrophobicContact CG-CG2 4.08Å; H425-T427 WeakPolarHBondContact O-CG2 3.34Å; H425-T427 PolarHBondContact O-N 3.31Å
428G97.1Very high97.6Very high31 Ų3146.6 Ų46.632%0.3225%0.246SC..SBendtrans-84.3-174.5-175.400000113H286 Y426H286-G428 PolarHBondContact CE1-O 2.96Å; Y426-G428 WeakPolarHBondContact CE1-O 3.37Å; Y426-G428 WeakPolarHBondContact OH-CA 3.43Å
429A96.9Very high97.5Very high77 Ų7743 Ų4364%0.63624%0.237SC*.  trans-72.5167.4173.300000111.8Y426 D431Y426-A429 WeakPolarHBondContact CE1-O 3.25Å; Y426-A429 VanDerWaalsContact CZ-O 3.31Å; Y426-A429 PolarHBondContact OH-N 2.91Å; Y426-A429 PolarHBondContact OH-O 2.85Å; A429-D431 PolarHBondContact O-N 3.06Å
430E96Very high97.5Very high64 Ų6446.1 Ų46.130%0.29925%0.249SC..SBendtrans-67.861.2178.2-59.9-67.9149.300112.7G256 L258 H286 Q289G256-E430 WeakPolarHBondContact O-CG 3.31Å; L258-E430 HydrophobicContact CD1-CB 4.34Å; L258-E430 HydrophobicContact CG-CB 4.17Å; L258-E430 VanDerWaalsContact CG-OE2 3.31Å; L258-E430 WeakPolarHBondContact CG-OE2 3.45Å; L258-E430 PolarHBondContact N-OE2 2.95Å; L258-E430 VanDerWaalsContact N-OE2 3.1Å; H286-E430 IonicContact CD2-OE1 3.72Å; H286-E430 IonicContact CE1-OE1 3.71Å; H286-E430 IonicContact NE2-OE1 3.88Å; H286-E430 PolarHBondContact NE2-OE1 3.23Å; H286-E430 VanDerWaalsContact NE2-OE1 3.12Å; Q289-E430 PolarHBondContact NE2-OE1 3.46Å
431D96.6Very high97.5Very high68 Ų6846.1 Ų46.136%0.36425%0.249SC..  trans-105.3101-178.9-175.4-32.9000109.7A429 Q433 V434 I435A429-D431 PolarHBondContact O-N 3.06Å; D431-Q433 PolarHBondContact O-N 3.24Å; D431-Q433 WeakPolarHBondContact OD1-CA 3.44Å; D431-Q433 WeakPolarHBondContact OD1-CB 3.45Å; D431-Q433 PolarHBondContact OD1-N 2.94Å; D431-V434 HydrophobicContact CB-CB 4.04Å; D431-V434 HydrophobicContact CB-CG2 4.08Å; D431-V434 VanDerWaalsContact CG-CG2 3.49Å; D431-V434 PolarHBondContact O-N 2.92Å; D431-V434 PolarHBondContact OD1-N 3.28Å; D431-V434 WeakPolarHBondContact OD2-CG2 3.3Å; D431-I435 WeakPolarHBondContact O-CB 3.25Å; D431-I435 WeakPolarHBondContact O-CD1 3.31Å; D431-I435 VanDerWaalsContact O-CG1 3.25Å; D431-I435 WeakPolarHBondContact O-CG1 3.45Å; D431-I435 PolarHBondContact O-N 3.18Å
432L96.1Very high97.4Very high59 Ų5946.3 Ų46.331%0.30925%0.252SS..Hα-helixtrans-59-33.1-179-178.262.3000112.7L258 P261 V264 T436L258-L432 HydrophobicContact CD1-CB 4.35Å; L258-L432 HydrophobicContact CD2-CB 4.33Å; P261-L432 HydrophobicContact CB-CD1 3.68Å; V264-L432 HydrophobicContact CG1-CD2 4.09Å; V264-L432 HydrophobicContact CG2-CD1 4.21Å; V264-L432 HydrophobicContact CG2-CD2 4.23Å; V264-L432 HydrophobicContact CG2-CG 4.28Å; L432-T436 HydrophobicContact CD1-CG2 3.98Å; L432-T436 WeakPolarHBondContact O-CB 3.46Å; L432-T436 VanDerWaalsContact O-CG2 3.31Å; L432-T436 WeakPolarHBondContact O-CG2 3.48Å; L432-T436 PolarHBondContact O-N 3.02Å; L432-T436 VanDerWaalsContact O-N 3.09Å; L432-T436 PolarHBondContact O-OG1 2.89Å
433Q96Very high97.4Very high100 Ų10048.4 Ų48.447%0.46726%0.26SS..Hα-helixtrans-69.2-48.2179.5-175.2177.7-1.300110D431 I435 T436 E437D431-Q433 PolarHBondContact O-N 3.24Å; D431-Q433 WeakPolarHBondContact OD1-CA 3.44Å; D431-Q433 WeakPolarHBondContact OD1-CB 3.45Å; D431-Q433 PolarHBondContact OD1-N 2.94Å; Q433-I435 VanDerWaalsContact C-N 3.34Å; Q433-I435 PolarHBondContact O-N 2.68Å; Q433-T436 PolarHBondContact O-N 2.86Å; Q433-T436 PolarHBondContact O-OG1 3.21Å; Q433-E437 HydrophobicContact CG-CG 4.11Å; Q433-E437 VanDerWaalsContact CG-OE1 3.24Å; Q433-E437 WeakPolarHBondContact CG-OE1 3.2Å; Q433-E437 PolarHBondContact NE2-OE1 2.94Å; Q433-E437 PolarHBondContact NE2-OE2 2.93Å; Q433-E437 VanDerWaalsContact O-CB 3.27Å; Q433-E437 WeakPolarHBondContact O-CB 3.35Å; Q433-E437 WeakPolarHBondContact O-CG 3.47Å; Q433-E437 PolarHBondContact O-N 3.38Å
434V97.6Very high97.4Very high38 Ų3849.9 Ų49.923%0.2327%0.265CS..Hα-helixtrans-61.2-43.6176.6173.50000111.3Y426 D431 T436 K438Y426-V434 HydrophobicContact CE2-CG1 4.09Å; D431-V434 HydrophobicContact CB-CB 4.04Å; D431-V434 HydrophobicContact CB-CG2 4.08Å; D431-V434 VanDerWaalsContact CG-CG2 3.49Å; D431-V434 PolarHBondContact O-N 2.92Å; D431-V434 PolarHBondContact OD1-N 3.28Å; D431-V434 WeakPolarHBondContact OD2-CG2 3.3Å; V434-T436 VanDerWaalsContact C-N 3.31Å; V434-T436 PolarHBondContact O-N 2.83Å; V434-K438 HydrophobicContact CG1-CD 3.86Å; V434-K438 HydrophobicContact CG1-CG 4.31Å; V434-K438 VanDerWaalsContact O-CB 3.25Å; V434-K438 WeakPolarHBondContact O-CB 3.48Å; V434-K438 WeakPolarHBondContact O-CG 3.36Å; V434-K438 PolarHBondContact O-N 3.29Å
435I98.1Very high97.3Very high0 Ų050.4 Ų50.40%027%0.271CS..Hα-helixtrans-60.4-42-179.4-73.2162.1000111.4L258 P261 Y284 Y426 D431 Q433 G439 W440 C441L258-I435 HydrophobicContact CD1-CD1 3.25Å; P261-I435 HydrophobicContact CB-CG2 4.41Å; Y284-I435 HydrophobicContact CD1-CD1 4.01Å; Y284-I435 HydrophobicContact CD1-CG2 4.34Å; Y284-I435 HydrophobicContact CE1-CD1 3.8Å; Y284-I435 HydrophobicContact CE1-CG1 4.05Å; Y284-I435 HydrophobicContact CE1-CG2 3.81Å; Y426-I435 HydrophobicContact CD1-CD1 4.22Å; Y426-I435 HydrophobicContact CD1-CG1 3.97Å; Y426-I435 HydrophobicContact CE1-CD1 3.82Å; Y426-I435 HydrophobicContact CE1-CG1 3.66Å; Y426-I435 HydrophobicContact CE2-CG1 4.49Å; D431-I435 WeakPolarHBondContact O-CB 3.25Å; D431-I435 WeakPolarHBondContact O-CD1 3.31Å; D431-I435 VanDerWaalsContact O-CG1 3.25Å; D431-I435 WeakPolarHBondContact O-CG1 3.45Å; D431-I435 PolarHBondContact O-N 3.18Å; Q433-I435 VanDerWaalsContact C-N 3.34Å; Q433-I435 PolarHBondContact O-N 2.68Å; I435-G439 PolarHBondContact O-N 3.29Å; I435-W440 HydrophobicContact CG2-CB 4.2Å; I435-W440 WeakPolarHBondContact O-CB 3.47Å; I435-W440 PolarHBondContact O-N 3.14Å; I435-C441 HydrophobicContact CG2-CB 3.73Å; I435-C441 PolarHBondContact O-N 2.87Å; I435-C441 VanDerWaalsContact O-N 3.08Å
436T96.3Very high97.2Very high23 Ų2350.8 Ų50.814%0.14128%0.276CS..Hα-helixtrans-83.4-45.3-177.153.90000112.5V264 L265 L432 Q433 V434 G439V264-T436 HydrophobicContact CG2-CG2 3.72Å; L265-T436 HydrophobicContact CD2-CG2 3.83Å; L265-T436 HydrophobicContact CG-CG2 4.49Å; L432-T436 HydrophobicContact CD1-CG2 3.98Å; L432-T436 WeakPolarHBondContact O-CB 3.46Å; L432-T436 VanDerWaalsContact O-CG2 3.31Å; L432-T436 WeakPolarHBondContact O-CG2 3.48Å; L432-T436 PolarHBondContact O-N 3.02Å; L432-T436 VanDerWaalsContact O-N 3.09Å; L432-T436 PolarHBondContact O-OG1 2.89Å; Q433-T436 PolarHBondContact O-N 2.86Å; Q433-T436 PolarHBondContact O-OG1 3.21Å; V434-T436 VanDerWaalsContact C-N 3.31Å; V434-T436 PolarHBondContact O-N 2.83Å; T436-G439 PolarHBondContact O-N 3.28Å; T436-G439 VanDerWaalsContact O-N 3.14Å
437E95.8Very high97.1Very high126 Ų12657 Ų5759%0.58931%0.311SS*.Hα-helixtrans-70.1-35-177.8-69.5-179.8179.900112.9Q433 G439Q433-E437 HydrophobicContact CG-CG 4.11Å; Q433-E437 VanDerWaalsContact CG-OE1 3.24Å; Q433-E437 WeakPolarHBondContact CG-OE1 3.2Å; Q433-E437 PolarHBondContact NE2-OE1 2.94Å; Q433-E437 PolarHBondContact NE2-OE2 2.93Å; Q433-E437 VanDerWaalsContact O-CB 3.27Å; Q433-E437 WeakPolarHBondContact O-CB 3.35Å; Q433-E437 WeakPolarHBondContact O-CG 3.47Å; Q433-E437 PolarHBondContact O-N 3.38Å; E437-G439 VanDerWaalsContact C-N 3.25Å
438K96.9Very high97Very high151 Ų15157 Ų5766%0.65730%0.304SS*.THydrogen-bonded Turntrans-83.9-2173.5-59.7-169.3-178.5176.50113.1V434V434-K438 HydrophobicContact CG1-CD 3.86Å; V434-K438 HydrophobicContact CG1-CG 4.31Å; V434-K438 VanDerWaalsContact O-CB 3.25Å; V434-K438 WeakPolarHBondContact O-CB 3.48Å; V434-K438 WeakPolarHBondContact O-CG 3.36Å; V434-K438 PolarHBondContact O-N 3.29Å
439G96.4Very high97Very high15 Ų1555.9 Ų55.916%0.15529%0.291CS..THydrogen-bonded Turntrans72.428.7172.800000115.2I435 T436 E437 C441 K444I435-G439 PolarHBondContact O-N 3.29Å; T436-G439 PolarHBondContact O-N 3.28Å; T436-G439 VanDerWaalsContact O-N 3.14Å; E437-G439 VanDerWaalsContact C-N 3.25Å; G439-C441 VanDerWaalsContact C-N 3.34Å; G439-K444 VanDerWaalsContact O-CE 3.3Å; G439-K444 WeakPolarHBondContact O-CE 3.37Å; G439-K444 PolarHBondContact O-NZ 3.05Å
440W98.3Very high96.9Very high67 Ų6756.2 Ų56.225%0.25428%0.282SS..SBendtrans-70.6-33.4167.7-61.4102.9000111.2D423 H425 Y426 I435D423-W440 HydrophobicContact CB-CE3 3.96Å; D423-W440 VanDerWaalsContact CB-O 3.25Å; D423-W440 WeakPolarHBondContact CB-O 3.48Å; D423-W440 PolarHBondContact N-O 2.76Å; H425-W440 HydrophobicContact CB-CZ3 4.12Å; Y426-W440 AromaticContact CD2-CD1 3.67Å; Y426-W440 AromaticContact CD2-CD2 3.74Å; Y426-W440 HydrophobicContact CD2-CD2 3.74Å; Y426-W440 AromaticContact CD2-CE2 3.55Å; Y426-W440 HydrophobicContact CD2-CE3 4.45Å; Y426-W440 AromaticContact CD2-CG 3.83Å; Y426-W440 HydrophobicContact CD2-CG 3.83Å; Y426-W440 HydrophobicContact CD2-CZ2 4.11Å; Y426-W440 AromaticContact CD2-NE1 3.49Å; Y426-W440 AromaticContact CE2-NE1 3.9Å; Y426-W440 HydrophobicContact CG-CD2 4.14Å; Y426-W440 HydrophobicContact CG-CG 4.17Å; I435-W440 HydrophobicContact CG2-CB 4.2Å; I435-W440 WeakPolarHBondContact O-CB 3.47Å; I435-W440 PolarHBondContact O-N 3.14Å
441C98.7Very high96.9Very high0 Ų056.6 Ų56.60%028%0.284CS..EExtended strand (participates in β ladder)trans-114.2115.1158.7-172.20000108P261 I421 L422 I435 G439P261-C441 HydrophobicContact CB-CB 4.23Å; P261-C441 HydrophobicContact CG-CB 4.32Å; I421-C441 CarbonylContact O-C 3.53Å; I421-C441 VanDerWaalsContact O-CA 3.3Å; I421-C441 WeakPolarHBondContact O-CA 3.36Å; L422-C441 HydrophobicContact CD1-CB 3.75Å; I435-C441 HydrophobicContact CG2-CB 3.73Å; I435-C441 PolarHBondContact O-N 2.87Å; I435-C441 VanDerWaalsContact O-N 3.08Å; G439-C441 VanDerWaalsContact C-N 3.34Å
442G98.4Very high96.8Very high7 Ų758.6 Ų58.67%0.07230%0.299CS..EExtended strand (participates in β ladder)trans-175.1162.7-174.400000115.7I421I421-G442 PolarHBondContact N-O 2.93Å; I421-G442 PolarHBondContact O-N 2.87Å
443W98.5Very high96.8Very high45 Ų4557 Ų5717%0.1729%0.293CS..EExtended strand (participates in β ladder)trans-77.6129.1173.8-69.8100.9000111.1H267 P268 V275 L277 A409 R418 Y419 L420H267-W443 AromaticContact ND1-CE2 3.95Å; H267-W443 AromaticContact ND1-CZ2 3.62Å; H267-W443 AromaticContact ND1-NE1 3.69Å; P268-W443 VanDerWaalsContact CD-CD2 3.5Å; P268-W443 HydrophobicContact CG-CD2 3.83Å; P268-W443 HydrophobicContact CG-CE3 4.05Å; P268-W443 HydrophobicContact CG-CG 4.07Å; V275-W443 HydrophobicContact CG1-CH2 3.97Å; V275-W443 HydrophobicContact CG1-CZ2 3.95Å; L277-W443 HydrophobicContact CD2-CH2 3.93Å; L277-W443 HydrophobicContact CD2-CZ2 3.91Å; A409-W443 HydrophobicContact CB-CE3 4.35Å; A409-W443 HydrophobicContact CB-CH2 3.98Å; A409-W443 HydrophobicContact CB-CZ3 3.78Å; R418-W443 HydrophobicContact CB-CE3 3.78Å; R418-W443 HydrophobicContact CB-CZ3 4.35Å; R418-W443 WeakPolarHBondContact O-CZ3 3.39Å; Y419-W443 CarbonylContact O-C 3.5Å; Y419-W443 WeakPolarHBondContact O-CA 3.24Å; L420-W443 HydrophobicContact CB-CD2 4.01Å; L420-W443 HydrophobicContact CB-CE3 3.79Å; L420-W443 HydrophobicContact CB-CH2 3.76Å; L420-W443 HydrophobicContact CB-CZ2 3.97Å; L420-W443 HydrophobicContact CB-CZ3 3.65Å; L420-W443 HydrophobicContact CD1-CD2 4.23Å; L420-W443 HydrophobicContact CD1-CG 4.39Å; L420-W443 HydrophobicContact CD2-CZ2 4.27Å; L420-W443 HydrophobicContact CG-CZ2 4.49Å
444K98.1Very high96.7Very high54 Ų5458.3 Ų58.324%0.23530%0.295CS..EExtended strand (participates in β ladder)trans-123.5146.4-178.5-54.3-63.5-179.91740110.5R418 Y419 I421 G439 F448R418-K444 CarbonylContact C-O 3.59Å; R418-K444 VanDerWaalsContact CA-O 3.3Å; R418-K444 WeakPolarHBondContact CA-O 3.39Å; Y419-K444 PolarHBondContact N-O 3.26Å; Y419-K444 PolarHBondContact O-N 2.74Å; I421-K444 HydrophobicContact CB-CG 4.1Å; I421-K444 HydrophobicContact CG1-CB 4.11Å; I421-K444 HydrophobicContact CG1-CG 3.69Å; G439-K444 VanDerWaalsContact O-CE 3.3Å; G439-K444 WeakPolarHBondContact O-CE 3.37Å; G439-K444 PolarHBondContact O-NZ 3.05Å; K444-F448 HydrophobicContact CB-CB 3.8Å; K444-F448 HydrophobicContact CB-CD1 4.34Å; K444-F448 HydrophobicContact CB-CD2 4.17Å; K444-F448 HydrophobicContact CB-CG 3.84Å; K444-F448 HydrophobicContact CD-CD2 4.03Å; K444-F448 HydrophobicContact CD-CE2 4.35Å; K444-F448 HydrophobicContact CG-CD1 4.48Å; K444-F448 HydrophobicContact CG-CD2 3.95Å; K444-F448 HydrophobicContact CG-CE2 4.29Å; K444-F448 HydrophobicContact CG-CG 4.05Å
445G97Very high96.8Very high13 Ų1357.6 Ų57.613%0.13429%0.288CS..  trans-81.4175.5173.800000112.6D447 F448G445-D447 PolarHBondContact O-N 3.36Å; G445-F448 VanDerWaalsContact O-CB 3.23Å; G445-F448 WeakPolarHBondContact O-CB 3.31Å; G445-F448 PolarHBondContact O-N 3.47Å; G445-F448 VanDerWaalsContact O-N 3.13Å
446P95.4Very high96.8Very high42 Ų4259.1 Ų59.127%0.27330%0.296SS..G310 helixtrans-57.6-31.3176.1-24.635.5000113.8I417 F448 W449 Q451I417-P446 HydrophobicContact CG2-CG 4.04Å; P446-F448 PolarHBondContact O-N 3.19Å; P446-F448 VanDerWaalsContact O-N 3.09Å; P446-W449 PolarHBondContact O-N 3.42Å; P446-W449 VanDerWaalsContact O-N 3.17Å; P446-Q451 PolarHBondContact O-NE2 3.36Å; P446-Q451 VanDerWaalsContact O-NE2 3.15Å
447D96.2Very high96.9Very high146 Ų14658 Ų5878%0.78129%0.29SS*.G310 helixtrans-66.8-8.1179.1-53.1-34.6000113.8G445 W449G445-D447 PolarHBondContact O-N 3.36Å; D447-W449 PolarHBondContact O-N 2.77Å
448F96.7Very high97Very high70 Ų7052 Ų5231%0.30726%0.262SS..G310 helixtrans-66.3-29.7172.5178.7-104.1000112.4H403 I421 K444 G445 P446H403-F448 AromaticContact CD2-CZ 3.92Å; H403-F448 AromaticContact NE2-CZ 3.65Å; I421-F448 HydrophobicContact CG1-CD1 4.38Å; I421-F448 HydrophobicContact CG1-CE1 4.13Å; I421-F448 HydrophobicContact CG2-CE1 4.33Å; I421-F448 HydrophobicContact CG2-CZ 4.31Å; K444-F448 HydrophobicContact CB-CB 3.8Å; K444-F448 HydrophobicContact CB-CD1 4.34Å; K444-F448 HydrophobicContact CB-CD2 4.17Å; K444-F448 HydrophobicContact CB-CG 3.84Å; K444-F448 HydrophobicContact CD-CD2 4.03Å; K444-F448 HydrophobicContact CD-CE2 4.35Å; K444-F448 HydrophobicContact CG-CD1 4.48Å; K444-F448 HydrophobicContact CG-CD2 3.95Å; K444-F448 HydrophobicContact CG-CE2 4.29Å; K444-F448 HydrophobicContact CG-CG 4.05Å; G445-F448 VanDerWaalsContact O-CB 3.23Å; G445-F448 WeakPolarHBondContact O-CB 3.31Å; G445-F448 PolarHBondContact O-N 3.47Å; G445-F448 VanDerWaalsContact O-N 3.13Å; P446-F448 PolarHBondContact O-N 3.19Å; P446-F448 VanDerWaalsContact O-N 3.09Å
449W96.6Very high97.1Very high8 Ų845 Ų453%0.0323%0.232CC..SBendtrans-84.6145.5-179.8-50.9116000110.5L376 I396 I405 Y419 I421 P446 D447 Q451 Y455L376-W449 HydrophobicContact CD1-CB 3.76Å; L376-W449 VanDerWaalsContact CD1-CD1 3.43Å; L376-W449 HydrophobicContact CD1-CD2 3.54Å; L376-W449 HydrophobicContact CD1-CE3 4.23Å; L376-W449 HydrophobicContact CD1-CG 3.27Å; I396-W449 HydrophobicContact CD1-CE3 4.27Å; I396-W449 HydrophobicContact CD1-CH2 3.86Å; I396-W449 HydrophobicContact CD1-CZ2 4.18Å; I396-W449 HydrophobicContact CD1-CZ3 3.89Å; I396-W449 HydrophobicContact CG1-CZ3 4.49Å; I396-W449 HydrophobicContact CG2-CH2 3.68Å; I396-W449 HydrophobicContact CG2-CZ3 3.94Å; I405-W449 HydrophobicContact CD1-CH2 4.35Å; I405-W449 HydrophobicContact CD1-CZ2 4.22Å; I405-W449 HydrophobicContact CG1-CH2 4.38Å; I405-W449 HydrophobicContact CG1-CZ2 4.48Å; Y419-W449 HydrophobicContact CD1-CZ2 4.33Å; Y419-W449 HydrophobicContact CD2-CZ2 4.37Å; Y419-W449 AromaticContact CD2-NE1 3.35Å; Y419-W449 AromaticContact CE2-CD1 3.98Å; Y419-W449 AromaticContact CE2-NE1 3.28Å; Y419-W449 VanDerWaalsContact CE2-NE1 3.28Å; Y419-W449 HydrophobicContact CG-CZ2 4.07Å; Y419-W449 AromaticContact CG-NE1 3.87Å; Y419-W449 AromaticContact CZ-NE1 3.72Å; I421-W449 HydrophobicContact CD1-CH2 3.62Å; I421-W449 HydrophobicContact CD1-CZ2 3.71Å; P446-W449 PolarHBondContact O-N 3.42Å; P446-W449 VanDerWaalsContact O-N 3.17Å; D447-W449 PolarHBondContact O-N 2.77Å; W449-Q451 PolarHBondContact O-N 3.17Å; W449-Q451 PolarHBondContact O-NE2 3.13Å; W449-Y455 HydrophobicContact CB-CE2 4.19Å; W449-Y455 AromaticContact CE3-CE1 3.87Å; W449-Y455 HydrophobicContact CE3-CE1 3.87Å; W449-Y455 HydrophobicContact CZ3-CE1 4.41Å
450D96.1Very high97.2Very high85 Ų8544.3 Ų44.346%0.45522%0.224SC..  trans-67.6115.3167.8-177.9-35.4000108.1G373 T452 A453 Y455G373-D450 VanDerWaalsContact CA-O 3.27Å; G373-D450 WeakPolarHBondContact CA-O 3.37Å; G373-D450 PolarHBondContact N-O 3.27Å; D450-T452 PolarHBondContact O-N 3.15Å; D450-T452 PolarHBondContact OD1-N 3.12Å; D450-T452 PolarHBondContact OD1-OG1 3.25Å; D450-A453 HydrophobicContact CB-CB 3.81Å; D450-A453 PolarHBondContact O-N 2.87Å; D450-A453 PolarHBondContact OD1-N 3.39Å; D450-Y455 PolarHBondContact N-OH 3.17Å; D450-Y455 WeakPolarHBondContact O-CE2 3.49Å
451Q95.4Very high97.2Very high72 Ų7243.6 Ų43.634%0.33622%0.224SC..THydrogen-bonded Turntrans-64-17.4-171.6-57.8-58.7-57.900113.5G373 S374 P446 W449G373-Q451 PolarHBondContact N-O 3.49Å; S374-Q451 VanDerWaalsContact CB-OE1 3.31Å; S374-Q451 PolarHBondContact N-O 3.09Å; S374-Q451 PolarHBondContact OG-O 3.13Å; P446-Q451 PolarHBondContact O-NE2 3.36Å; P446-Q451 VanDerWaalsContact O-NE2 3.15Å; W449-Q451 PolarHBondContact O-N 3.17Å; W449-Q451 PolarHBondContact O-NE2 3.13Å
452T94.4Very high97.1Very high110 Ų11045.7 Ų45.768%0.67523%0.231SC*.THydrogen-bonded Turntrans-107.7-16.2-175.866.60000113.7D450D450-T452 PolarHBondContact O-N 3.15Å; D450-T452 PolarHBondContact OD1-N 3.12Å; D450-T452 PolarHBondContact OD1-OG1 3.25Å
453A95.1Very high96.9Very high24 Ų2447.2 Ų47.220%0.19824%0.24CC..SBendtrans-78.4148-179.600000111.8Q372 G373 D450 Y455Q372-A453 CarbonylContact C-O 3.57Å; Q372-A453 VanDerWaalsContact C-O 3.31Å; Q372-A453 WeakPolarHBondContact CA-O 3.48Å; G373-A453 PolarHBondContact N-O 2.85Å; D450-A453 HydrophobicContact CB-CB 3.81Å; D450-A453 PolarHBondContact O-N 2.87Å; D450-A453 PolarHBondContact OD1-N 3.39Å; A453-Y455 HydrophobicContact CB-CE2 4Å; A453-Y455 WeakPolarHBondContact O-CD2 3.32Å; A453-Y455 WeakPolarHBondContact O-CE2 3.47Å
454Y95.7Very high96.5Very high129 Ų12955.8 Ų55.851%0.50627%0.272SS..  trans-78.7149.116871.4-89.8000110.4V370 S371 G398V370-Y454 WeakPolarHBondContact O-CA 3.27Å; S371-Y454 WeakPolarHBondContact O-CA 3.41Å; S371-Y454 WeakPolarHBondContact O-CB 3.33Å; G398-Y454 WeakPolarHBondContact CA-O 3.41Å
455Y97.9Very high96.2Very high22 Ų2255.6 Ų55.69%0.08628%0.276CS..EExtended strand (participates in β ladder)trans-131.6137.4178.1-70.3-86.9000111.6V370 L376 I396 G397 W449 D450 A453V370-Y455 PolarHBondContact N-O 2.93Å; V370-Y455 PolarHBondContact O-N 3.46Å; L376-Y455 HydrophobicContact CD1-CD2 3.82Å; L376-Y455 HydrophobicContact CD1-CE2 4.15Å; L376-Y455 HydrophobicContact CD1-CG 4.03Å; I396-Y455 HydrophobicContact CD1-CD1 3.79Å; I396-Y455 HydrophobicContact CD1-CG 4.17Å; I396-Y455 HydrophobicContact CG1-CD1 3.78Å; I396-Y455 HydrophobicContact CG1-CG 4.42Å; G397-Y455 WeakPolarHBondContact O-CA 3.42Å; W449-Y455 HydrophobicContact CB-CE2 4.19Å; W449-Y455 AromaticContact CE3-CE1 3.87Å; W449-Y455 HydrophobicContact CE3-CE1 3.87Å; W449-Y455 HydrophobicContact CZ3-CE1 4.41Å; D450-Y455 PolarHBondContact N-OH 3.17Å; D450-Y455 WeakPolarHBondContact O-CE2 3.49Å; A453-Y455 HydrophobicContact CB-CE2 4Å; A453-Y455 WeakPolarHBondContact O-CD2 3.32Å; A453-Y455 WeakPolarHBondContact O-CE2 3.47Å
456N98.1Very high95.7Very high32 Ų3255.5 Ų55.517%0.17127%0.272CS..EExtended strand (participates in β ladder)trans-114.3132.1168.8-64.6-24.9000108.7S350 I367 F369 I396 G397S350-N456 PolarHBondContact OG-O 3.09Å; I367-N456 HydrophobicContact CG2-CB 4.45Å; F369-N456 WeakPolarHBondContact CD1-OD1 3.38Å; I396-N456 WeakPolarHBondContact CA-O 3.48Å; G397-N456 PolarHBondContact N-O 3.44Å; G397-N456 PolarHBondContact O-N 3.29Å
457L98.7Very high95.7Very high0 Ų056.2 Ų56.20%027%0.272CS..EExtended strand (participates in β ladder)trans-111.6126175.3-6573.8000108.6I367 M368 V370 L376 L383 V394 M395 I396 I405 L459I367-L457 CarbonylContact C-O 3.04Å; I367-L457 WeakPolarHBondContact CA-O 3.24Å; M368-L457 HydrophobicContact CB-CB 4.25Å; M368-L457 PolarHBondContact N-O 2.92Å; M368-L457 PolarHBondContact O-N 3.35Å; V370-L457 HydrophobicContact CG2-CD1 4.01Å; L376-L457 HydrophobicContact CD2-CD1 3.98Å; L383-L457 HydrophobicContact CD2-CD2 3.9Å; V394-L457 HydrophobicContact CG1-CB 3.99Å; V394-L457 HydrophobicContact CG1-CD2 4.16Å; V394-L457 HydrophobicContact CG1-CG 4.44Å; M395-L457 CarbonylContact O-C 3.57Å; M395-L457 VanDerWaalsContact O-CA 3.31Å; M395-L457 WeakPolarHBondContact O-CA 3.25Å; I396-L457 HydrophobicContact CB-CG 3.98Å; I396-L457 HydrophobicContact CD1-CD1 3.76Å; I396-L457 HydrophobicContact CD1-CD2 4.2Å; I396-L457 HydrophobicContact CD1-CG 3.82Å; I396-L457 HydrophobicContact CG1-CD1 3.93Å; I396-L457 HydrophobicContact CG1-CG 3.79Å; I405-L457 HydrophobicContact CD1-CD2 3.97Å; L457-L459 HydrophobicContact CB-CD1 3.54Å; L457-L459 WeakPolarHBondContact O-CD1 3.37Å
458C98.8Very high95.7Very high0 Ų051.5 Ų51.50%025%0.245CC..EExtended strand (participates in β ladder)trans-92.7116169.3-179.80000108.7V353 S365 I367 V394 M395 P460V353-C458 HydrophobicContact CG1-CB 4.29Å; S365-C458 VanDerWaalsContact CB-SG 3.54Å; I367-C458 HydrophobicContact CD1-CB 3.98Å; V394-C458 WeakPolarHBondContact CG1-O 3.27Å; M395-C458 HydrophobicContact CB-CB 4.41Å; M395-C458 PolarHBondContact N-O 3.21Å; M395-C458 PolarHBondContact O-N 3.25Å; C458-P460 VanDerWaalsContact O-CD 3.29Å; C458-P460 WeakPolarHBondContact O-CD 3.37Å
459L98.8Very high95.6Very high5 Ų550.4 Ų50.43%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-108.692.1-179.7-72.773.6000109S365 K366 M368 H386 V394 L457 Q461S365-L459 CarbonylContact C-O 3.56Å; S365-L459 WeakPolarHBondContact CA-O 3.31Å; K366-L459 HydrophobicContact CB-CB 4.31Å; K366-L459 PolarHBondContact N-O 3.5Å; K366-L459 WeakPolarHBondContact O-CB 3.41Å; K366-L459 PolarHBondContact O-N 3.33Å; M368-L459 HydrophobicContact CB-CD1 3.96Å; M368-L459 HydrophobicContact CE-CD1 4.4Å; M368-L459 HydrophobicContact CE-CD2 3.82Å; H386-L459 HydrophobicContact CB-CD2 4Å; V394-L459 HydrophobicContact CG1-CD1 3.99Å; V394-L459 HydrophobicContact CG1-CG 4.1Å; V394-L459 HydrophobicContact CG2-CG 4.06Å; L457-L459 HydrophobicContact CB-CD1 3.54Å; L457-L459 WeakPolarHBondContact O-CD1 3.37Å; L459-Q461 PolarHBondContact O-NE2 3.38Å
460P98.7Very high95.6Very high0 Ų052.9 Ų52.90%025%0.254CS..EExtended strand (participates in β ladder)trans-59.9143.2177.9-20.931.9000112.2I307 F311 L357 V363 S365 H386 T392 P393 C458I307-P460 HydrophobicContact CD1-CG 4.12Å; I307-P460 HydrophobicContact CG1-CG 4.49Å; I307-P460 HydrophobicContact CG2-CB 4.31Å; I307-P460 HydrophobicContact CG2-CG 3.67Å; F311-P460 HydrophobicContact CE2-CB 3.62Å; F311-P460 HydrophobicContact CE2-CG 4.37Å; F311-P460 HydrophobicContact CZ-CB 3.65Å; L357-P460 HydrophobicContact CD1-CB 4.37Å; L357-P460 HydrophobicContact CD1-CG 3.92Å; V363-P460 HydrophobicContact CG1-CB 4.13Å; S365-P460 WeakPolarHBondContact OG-CA 3.3Å; H386-P460 PolarHBondContact CE1-O 2.67Å; T392-P460 HydrophobicContact CG2-CB 4.48Å; T392-P460 PolarHBondContact OG1-O 3.03Å; P393-P460 VanDerWaalsContact O-CD 3.31Å; P393-P460 WeakPolarHBondContact O-CD 3.27Å; C458-P460 VanDerWaalsContact O-CD 3.29Å; C458-P460 WeakPolarHBondContact O-CD 3.37Å
461Q98.1Very high95.5Very high52 Ų5250.9 Ų50.924%0.24324%0.242CC..  trans-107.4144.4179.1-52.3-63.5-81.900110T364 L459 P463T364-Q461 WeakPolarHBondContact O-CB 3.33Å; T364-Q461 PolarHBondContact O-N 3.06Å; L459-Q461 PolarHBondContact O-NE2 3.38Å; Q461-P463 WeakPolarHBondContact O-CD 3.21Å
462R95.4Very high95.5Very high43 Ų4349.5 Ų49.516%0.16224%0.236CC..  trans-72124.9175.8-70.5179.8176.3168.113.7110.7W310 Y316 E390 T392W310-R462 HydrophobicContact CH2-CG 3.92Å; W310-R462 HydrophobicContact CZ3-CG 4.42Å; Y316-R462 HydrophobicContact CE1-CB 4.39Å; Y316-R462 WeakPolarHBondContact OH-CD 3.3Å; E390-R462 WeakPolarHBondContact O-CD 3.49Å; E390-R462 PolarHBondContact O-NE 3.01Å; E390-R462 PolarHBondContact O-NH2 3.21Å; E390-R462 WeakPolarHBondContact OE2-CB 3.23Å; E390-R462 PolarHBondContact OE2-N 3.02Å; T392-R462 HydrophobicContact CG2-CG 4.16Å
463P94.4Very high95.6Very high39 Ų3945.2 Ų45.225%0.25320%0.204SC..  trans-61145.5163.1-19.932.3000110.4Y316 V363 Q461 V465Y316-P463 HydrophobicContact CD1-CB 4.28Å; Y316-P463 HydrophobicContact CD1-CG 4.16Å; Y316-P463 VanDerWaalsContact CE1-O 3.25Å; Y316-P463 WeakPolarHBondContact CE1-O 3.28Å; V363-P463 HydrophobicContact CG2-CG 4.26Å; Q461-P463 WeakPolarHBondContact O-CD 3.21Å; P463-V465 HydrophobicContact CB-CG1 4.29Å; P463-V465 PolarHBondContact O-N 3.08Å
464R91.6Very high95.7Very high225 Ų22546.8 Ų46.885%0.84921%0.205SC*.  trans-85.899.5172.5-66.7-175.2-179.9-173.70.3109.5
465V90.4Very high95.7Very high50 Ų5040 Ų4030%0.30318%0.18SC..  trans-146.7162-177.5-63.70000111.1R237 P238 Y316 P463R237-V465 CarbonylContact C-O 3.55Å; R237-V465 WeakPolarHBondContact CA-O 3.27Å; R237-V465 PolarHBondContact N-O 3.1Å; P238-V465 WeakPolarHBondContact CD-O 3.37Å; P238-V465 HydrophobicContact CG-CG2 3.88Å; Y316-V465 HydrophobicContact CD1-CG2 3.51Å; Y316-V465 HydrophobicContact CE1-CG2 3.86Å; P463-V465 HydrophobicContact CB-CG1 4.29Å; P463-V465 PolarHBondContact O-N 3.08Å
466I87Confident95.4Very high12 Ų1241.6 Ų41.66%0.06219%0.188CC..  trans-119.10174.663170.6000113.3E221 R224 R225 D235 R241E221-I466 HydrophobicContact CG-CD1 3.93Å; E221-I466 HydrophobicContact CG-CG1 3.91Å; R224-I466 PolarHBondContact NE-O 3.43Å; R224-I466 PolarHBondContact NE-OXT 3.39Å; R224-I466 PolarHBondContact NH2-O 3.35Å; R225-I466 HydrophobicContact CB-CD1 3.69Å; R225-I466 HydrophobicContact CG-CD1 4.14Å; D235-I466 HydrophobicContact CB-CG2 4.05Å; R241-I466 PolarHBondContact NE-O 3.21Å; R241-I466 PolarHBondContact NH2-O 2.8Å

Retrieved 466 of 466 residues in 135.4 ms (Link to these results)

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