A0A077Z2J3_TRITR Loading...

dTMP kinase

AlphaFold DB , UniProt , Accession A0A077Z2J3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 229 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
1M38.4Very low80.2Confident229 Ų22979.5 Ų79.5100%1.12840%0.399SS*.  01210-64-176-49.100105.9E3M1-E3 PolarHBondContact O-N 3.21Å
2E51.2Low81.5Confident174 Ų17472.9 Ų72.981%0.81337%0.366SS*.  trans-63.7117.5167.6-71.3177.9162.100106.6E4E2-E4 PolarHBondContact O-N 2.97Å
3E60.9Low82.7Confident109 Ų10967.3 Ų67.351%0.50934%0.338SS..  trans-67.398.1179.3-71.7-173.3158.400108.5M1 G5 R6M1-E3 PolarHBondContact O-N 3.21Å; E3-G5 PolarHBondContact O-N 3.1Å; E3-R6 HydrophobicContact CB-CB 4.2Å; E3-R6 HydrophobicContact CB-CG 4.42Å; E3-R6 PolarHBondContact O-N 3.05Å; E3-R6 VanDerWaalsContact O-N 3.1Å
4E68Low83.5Confident202 Ų20262.5 Ų62.594%0.94431%0.314SS*.THydrogen-bonded Turntrans-52.3115.7173.1-78.5-173.1153.600109.4E2E2-E4 PolarHBondContact O-N 2.97Å
5G86.6Confident84.3Confident56 Ų5658.4 Ų58.458%0.57729%0.293SS*.THydrogen-bonded Turntrans102.3-1.617800000115.9E3 G109E3-G5 PolarHBondContact O-N 3.1Å; G5-G109 WeakPolarHBondContact O-CA 3.27Å
6R94.8Very high84.7Confident88 Ų8855.4 Ų55.433%0.33228%0.278SS..PPolyproline II helixtrans-66.5151.6172.376.4165.8-17690.2-6.5112E3 L106 D146E3-R6 HydrophobicContact CB-CB 4.2Å; E3-R6 HydrophobicContact CB-CG 4.42Å; E3-R6 PolarHBondContact O-N 3.05Å; E3-R6 VanDerWaalsContact O-N 3.1Å; R6-L106 CarbonylContact C-O 3.45Å; R6-L106 WeakPolarHBondContact CA-O 3.33Å; R6-L106 WeakPolarHBondContact CB-O 3.49Å; R6-D146 IonicContact CZ-OD1 3.45Å; R6-D146 IonicContact CZ-OD2 3.62Å; R6-D146 IonicContact NH1-OD1 3.36Å; R6-D146 PolarHBondContact NH1-OD1 3.04Å; R6-D146 IonicContact NH1-OD2 2.76Å; R6-D146 PolarHBondContact NH1-OD2 3.26Å; R6-D146 IonicContact NH2-OD1 2.65Å; R6-D146 PolarHBondContact NH2-OD1 3.18Å; R6-D146 IonicContact NH2-OD2 3.56Å
7G96Very high84.8Confident0 Ų057.5 Ų57.50%028%0.282CS..PPolyproline II helixtrans-66.4165171.100000112.4L106 H111G7-L106 PolarHBondContact N-O 2.65Å; G7-L106 WeakPolarHBondContact O-CD2 3.18Å; G7-H111 WeakPolarHBondContact CA-ND1 3.3Å
8I96.2Very high85.2Confident11 Ų1154.4 Ų54.46%0.05627%0.267CS..PPolyproline II helixtrans-102.2133.2176.7-58.2170.7000108.4V10 H111 V112 D146 F208 Y214I8-V10 HydrophobicContact CG2-CG2 3.98Å; I8-H111 PolarHBondContact N-ND1 2.63Å; I8-H111 WeakPolarHBondContact O-CA 3.44Å; I8-V112 PolarHBondContact O-N 3.29Å; I8-D146 WeakPolarHBondContact CA-OD2 3.37Å; I8-D146 HydrophobicContact CG2-CB 3.84Å; I8-F208 HydrophobicContact CB-CE1 4.47Å; I8-F208 HydrophobicContact CD1-CD1 3.92Å; I8-F208 HydrophobicContact CD1-CE1 3.44Å; I8-F208 VanDerWaalsContact CD1-CE1 3.44Å; I8-F208 HydrophobicContact CD1-CZ 4.37Å; I8-F208 HydrophobicContact CG2-CE1 4.28Å; I8-Y214 HydrophobicContact CD1-CD1 3.84Å; I8-Y214 HydrophobicContact CD1-CG 4.22Å; I8-Y214 HydrophobicContact CG1-CD1 4.21Å
9F96.5Very high85.4Confident0 Ų052.4 Ų52.40%026%0.262CS..EExtended strand (participates in β ladder)trans-98.3115.3174.4-174.1-166.6000110.6I102 L106 V112 A114 Y117 P143 P145 D146 I147F9-I102 HydrophobicContact CD1-CG2 4Å; F9-I102 HydrophobicContact CE1-CD1 4.24Å; F9-I102 HydrophobicContact CE1-CG2 4.04Å; F9-I102 HydrophobicContact CG-CG2 4.44Å; F9-I102 HydrophobicContact CZ-CD1 3.97Å; F9-L106 HydrophobicContact CB-CD1 3.93Å; F9-L106 HydrophobicContact CB-CD2 3.9Å; F9-L106 HydrophobicContact CG-CD1 4.47Å; F9-V112 WeakPolarHBondContact CA-O 3.2Å; F9-V112 HydrophobicContact CD2-CB 3.79Å; F9-V112 HydrophobicContact CD2-CG1 3.62Å; F9-V112 HydrophobicContact CE2-CB 4.39Å; F9-V112 HydrophobicContact CE2-CG1 3.71Å; F9-V112 HydrophobicContact CG-CB 4.39Å; F9-A114 HydrophobicContact CE2-CB 3.73Å; F9-A114 HydrophobicContact CZ-CB 4.23Å; F9-Y117 AromaticContact CE1-CE1 3.94Å; F9-Y117 HydrophobicContact CE1-CE1 3.94Å; F9-Y117 HydrophobicContact CE1-CE2 4.47Å; F9-Y117 AromaticContact CE1-CZ 3.91Å; F9-Y117 HydrophobicContact CZ-CD1 4.26Å; F9-Y117 HydrophobicContact CZ-CD2 4.18Å; F9-Y117 AromaticContact CZ-CE1 4Å; F9-Y117 HydrophobicContact CZ-CE1 4Å; F9-Y117 AromaticContact CZ-CE2 3.93Å; F9-Y117 HydrophobicContact CZ-CE2 3.93Å; F9-Y117 HydrophobicContact CZ-CG 4.35Å; F9-Y117 AromaticContact CZ-CZ 3.82Å; F9-P143 HydrophobicContact CD1-CB 4.39Å; F9-P143 HydrophobicContact CE1-CB 4.32Å; F9-P143 WeakPolarHBondContact CE1-O 3.33Å; F9-P145 HydrophobicContact CD1-CB 4.1Å; F9-P145 HydrophobicContact CD1-CG 3.97Å; F9-P145 HydrophobicContact CE1-CB 4.28Å; F9-P145 HydrophobicContact CE1-CG 3.66Å; F9-P145 HydrophobicContact CE2-CG 4.38Å; F9-P145 HydrophobicContact CG-CB 4.21Å; F9-P145 HydrophobicContact CG-CG 4.45Å; F9-P145 HydrophobicContact CZ-CG 3.87Å; F9-P145 CarbonylContact O-C 3.58Å; F9-D146 PolarHBondContact N-OD2 3.05Å; F9-D146 WeakPolarHBondContact O-CB 3.18Å; F9-D146 PolarHBondContact O-N 3.11Å; F9-I147 PolarHBondContact O-N 3.04Å
10V96.9Very high85.8Confident5 Ų550.2 Ų50.23%0.0325%0.25CS..EExtended strand (participates in β ladder)trans-114.5124.6177.2-171.60000109.9I8 L12 V112 L113 A114 I147 I149I8-V10 HydrophobicContact CG2-CG2 3.98Å; V10-L12 HydrophobicContact CG1-CD1 4.1Å; V10-V112 PolarHBondContact N-O 3.4Å; V10-L113 HydrophobicContact CB-CD2 3.85Å; V10-L113 HydrophobicContact CG2-CD2 4.23Å; V10-L113 CarbonylContact O-C 3.57Å; V10-L113 VanDerWaalsContact O-CA 3.32Å; V10-L113 WeakPolarHBondContact O-CA 3.42Å; V10-A114 PolarHBondContact O-N 2.88Å; V10-I147 WeakPolarHBondContact CA-O 3.23Å; V10-I147 HydrophobicContact CG1-CB 4.3Å; V10-I147 HydrophobicContact CG1-CG2 4.45Å; V10-I147 HydrophobicContact CG2-CB 4.4Å; V10-I149 HydrophobicContact CG1-CD1 3.72Å; V10-I149 HydrophobicContact CG1-CG1 4.01Å
11A96.3Very high86Confident0 Ų051.1 Ų51.10%026%0.259CS..EExtended strand (participates in β ladder)trans-104.1133.9170.500000110.3A114 P145 I147 V148 I149A11-A114 HydrophobicContact CB-CB 4.43Å; A11-P145 HydrophobicContact CB-CB 3.94Å; A11-P145 HydrophobicContact CB-CG 3.69Å; A11-I147 PolarHBondContact N-O 3.33Å; A11-V148 CarbonylContact O-C 3.55Å; A11-V148 WeakPolarHBondContact O-CA 3.35Å; A11-I149 PolarHBondContact O-N 3.3Å
12L96.7Very high88.5Confident1 Ų144.3 Ų44.31%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-102.4121.3171.4-72.577.5000108.9V10 K20 Q23 V24 A114 R116 I149V10-L12 HydrophobicContact CG1-CD1 4.1Å; L12-K20 WeakPolarHBondContact O-CD 3.48Å; L12-Q23 HydrophobicContact CD2-CB 3.67Å; L12-V24 HydrophobicContact CB-CG2 4.1Å; L12-V24 HydrophobicContact CD1-CG2 3.75Å; L12-V24 HydrophobicContact CD2-CG2 3.71Å; L12-V24 HydrophobicContact CG-CG2 4.02Å; L12-A114 PolarHBondContact N-O 3.45Å; L12-R116 WeakPolarHBondContact O-CA 3.41Å; L12-R116 PolarHBondContact O-N 3.39Å; L12-I149 CarbonylContact C-O 3.48Å; L12-I149 WeakPolarHBondContact CA-O 3.23Å; L12-I149 HydrophobicContact CG-CB 4.3Å
13E96.5Very high90.5Very high0 Ų037.6 Ų37.60%020%0.199CC..EExtended strand (participates in β ladder)trans-121.2165-178.7-71.7-69.5-176.300110.9Y117 Y119 S120 V148 I149 F150 L151 F182 W191E13-Y117 PolarHBondContact OE1-N 2.94Å; E13-Y119 HydrophobicContact CG-CD2 3.9Å; E13-Y119 HydrophobicContact CG-CG 4.4Å; E13-Y119 WeakPolarHBondContact OE1-CB 3.29Å; E13-S120 PolarHBondContact OE1-N 3.2Å; E13-S120 WeakPolarHBondContact OE2-CB 3.18Å; E13-S120 PolarHBondContact OE2-OG 3.45Å; E13-V148 HydrophobicContact CB-CG1 4.26Å; E13-V148 HydrophobicContact CG-CG1 3.96Å; E13-I149 PolarHBondContact N-O 2.71Å; E13-F150 HydrophobicContact CB-CD2 4.06Å; E13-F150 WeakPolarHBondContact O-CA 3.49Å; E13-L151 PolarHBondContact O-N 2.9Å; E13-F182 HydrophobicContact CB-CE1 4.38Å; E13-W191 HydrophobicContact CB-CH2 4.5Å
14G94.4Very high92Very high0 Ų032.6 Ų32.60%018%0.176CC..EExtended strand (participates in β ladder)trans146.6167.3-176.900000112.2K20 R116G14-K20 PolarHBondContact O-NZ 3.3Å; G14-R116 PolarHBondContact O-NH1 3.08Å
15L94.5Very high93.2Very high1 Ų125.1 Ų25.11%0.00515%0.149CC..SBendtrans-60.3167.7178.9-60-172.1000113.1S18 K20 V153 A155 Q175 V178 Y179 F182L15-S18 VanDerWaalsContact O-CB 3.29Å; L15-S18 WeakPolarHBondContact O-CB 3.16Å; L15-S18 PolarHBondContact O-N 3.34Å; L15-S18 PolarHBondContact O-OG 3.49Å; L15-K20 PolarHBondContact O-NZ 2.65Å; L15-V153 WeakPolarHBondContact CD1-O 3.38Å; L15-A155 HydrophobicContact CD1-CB 4.27Å; L15-Q175 HydrophobicContact CD1-CB 4.32Å; L15-V178 HydrophobicContact CD2-CB 4.08Å; L15-V178 HydrophobicContact CD2-CG1 3.78Å; L15-Y179 HydrophobicContact CD1-CD2 3.92Å; L15-Y179 HydrophobicContact CD1-CG 4.44Å; L15-Y179 HydrophobicContact CD2-CD2 4.47Å; L15-Y179 HydrophobicContact CG-CD2 4.2Å; L15-F182 HydrophobicContact CD2-CD2 4.4Å
16D91.3Very high93.4Very high10 Ų1025.4 Ų25.45%0.05313%0.134CC..THydrogen-bonded Turntrans-56.3143.6171.3-65.5-20.9000110.2S18 R116 Y124 A158 E170 Q175D16-S18 PolarHBondContact O-N 2.76Å; D16-R116 IonicContact OD1-CZ 2.7Å; D16-R116 IonicContact OD1-NH1 2.66Å; D16-R116 IonicContact OD1-NH2 3Å; D16-R116 PolarHBondContact OD1-NH2 3.36Å; D16-Y124 VanDerWaalsContact CG-OH 3.29Å; D16-Y124 PolarHBondContact N-OH 3.37Å; D16-Y124 PolarHBondContact OD1-OH 2.93Å; D16-A158 VanDerWaalsContact O-CB 3.24Å; D16-A158 WeakPolarHBondContact O-CB 3.34Å; D16-E170 HydrophobicContact CB-CG 4.21Å; D16-Q175 PolarHBondContact OD2-NE2 2.73Å
17R87.1Confident93.3Very high92 Ų9221.4 Ų21.435%0.34712%0.119SC..THydrogen-bonded Turntrans58.215.1-177.4-47.4-60.7169154.53.2116.5G19 A158 R161 D163 F164 E170R17-G19 PolarHBondContact O-N 3.24Å; R17-A158 HydrophobicContact CB-CB 4.24Å; R17-R161 HydrophobicContact CB-CB 4.06Å; R17-R161 WeakPolarHBondContact O-CD 3.19Å; R17-R161 PolarHBondContact O-NH1 3.35Å; R17-D163 PolarHBondContact NH2-O 3.5Å; R17-F164 HydrophobicContact CG-CD2 3.88Å; R17-E170 IonicContact CZ-OE1 3.77Å; R17-E170 VanDerWaalsContact CZ-OE1 3.3Å; R17-E170 IonicContact NE-OE1 2.81Å; R17-E170 PolarHBondContact NE-OE1 3.01Å; R17-E170 IonicContact NH2-OE1 2.89Å; R17-E170 PolarHBondContact NH2-OE1 2.66Å; R17-E170 IonicContact NH2-OE2 3.69Å
18S90.5Very high93.3Very high1 Ų126.7 Ų26.71%0.00714%0.139CC..SBendtrans-66.8-14.5174.568.20000114.8L15 D16 K20 R161L15-S18 VanDerWaalsContact O-CB 3.29Å; L15-S18 WeakPolarHBondContact O-CB 3.16Å; L15-S18 PolarHBondContact O-N 3.34Å; L15-S18 PolarHBondContact O-OG 3.49Å; D16-S18 PolarHBondContact O-N 2.76Å; S18-K20 WeakPolarHBondContact OG-CG 3.37Å; S18-K20 PolarHBondContact OG-NZ 3.32Å; S18-R161 PolarHBondContact O-NH1 2.9Å
19G90Very high93.1Very high16 Ų1630.3 Ų30.317%0.16516%0.156CC..SBendtrans101.811.8178.400000115.2R17 T21 T22 Q23R17-G19 PolarHBondContact O-N 3.24Å; G19-T21 PolarHBondContact O-N 3.31Å; G19-T22 WeakPolarHBondContact O-CB 3.36Å; G19-T22 PolarHBondContact O-N 3.33Å; G19-T22 VanDerWaalsContact O-N 3.1Å; G19-Q23 WeakPolarHBondContact O-CG 3.48Å; G19-Q23 PolarHBondContact O-N 2.83Å
20K92.7Very high93Very high8 Ų831.9 Ų31.94%0.03517%0.166CC..Hα-helixtrans-49.4-55.2-178.8-65.9178.3-66.1-72.80113L12 G14 L15 S18 T22 Q23 V24 D115 R116 L151L12-K20 WeakPolarHBondContact O-CD 3.48Å; G14-K20 PolarHBondContact O-NZ 3.3Å; L15-K20 PolarHBondContact O-NZ 2.65Å; S18-K20 WeakPolarHBondContact OG-CG 3.37Å; S18-K20 PolarHBondContact OG-NZ 3.32Å; K20-T22 VanDerWaalsContact C-N 3.28Å; K20-T22 PolarHBondContact O-N 3Å; K20-Q23 PolarHBondContact O-N 3.18Å; K20-Q23 VanDerWaalsContact O-N 3.09Å; K20-V24 WeakPolarHBondContact O-CG2 3.39Å; K20-V24 PolarHBondContact O-N 3.44Å; K20-D115 WeakPolarHBondContact CB-OD1 3.2Å; K20-R116 HydrophobicContact CD-CG 3.99Å; K20-L151 HydrophobicContact CB-CD1 4.34Å; K20-L151 HydrophobicContact CG-CD1 3.91Å
21T91.3Very high92.8Very high71 Ų7131.9 Ų31.944%0.43617%0.165SC..Hα-helixtrans-48.6-48.8176.8-60.90000112.7G19 V24 A25 R42 D115G19-T21 PolarHBondContact O-N 3.31Å; T21-V24 PolarHBondContact O-N 3.38Å; T21-A25 WeakPolarHBondContact O-CB 3.44Å; T21-A25 PolarHBondContact O-N 2.99Å; T21-R42 PolarHBondContact OG1-NH2 3.11Å; T21-D115 WeakPolarHBondContact CA-OD2 3.3Å; T21-D115 PolarHBondContact OG1-OD2 2.84Å
22T90.4Very high92.6Very high86 Ų8636.2 Ų36.253%0.52819%0.186SC..Hα-helixtrans-64.5-44.9-178.9-52.70000111G19 K20 A25 F26G19-T22 WeakPolarHBondContact O-CB 3.36Å; G19-T22 PolarHBondContact O-N 3.33Å; G19-T22 VanDerWaalsContact O-N 3.1Å; K20-T22 VanDerWaalsContact C-N 3.28Å; K20-T22 PolarHBondContact O-N 3Å; T22-A25 PolarHBondContact O-N 3.33Å; T22-F26 PolarHBondContact O-N 3.27Å
23Q92.3Very high92.6Very high32 Ų3242.8 Ų42.815%0.1521%0.214CC..Hα-helixtrans-68.3-37.5-179.9-65.8-60.9-36.600112.3L12 G19 K20 F26 L27 L151L12-Q23 HydrophobicContact CD2-CB 3.67Å; G19-Q23 WeakPolarHBondContact O-CG 3.48Å; G19-Q23 PolarHBondContact O-N 2.83Å; K20-Q23 PolarHBondContact O-N 3.18Å; K20-Q23 VanDerWaalsContact O-N 3.09Å; Q23-F26 PolarHBondContact O-N 2.97Å; Q23-L27 WeakPolarHBondContact O-CB 3.4Å; Q23-L27 PolarHBondContact O-N 2.95Å; Q23-L151 HydrophobicContact CB-CD1 4.25Å; Q23-L151 HydrophobicContact CG-CD1 3.85Å; Q23-L151 HydrophobicContact CG-CD2 4.34Å
24V93Very high92.5Very high4 Ų447.1 Ų47.12%0.02424%0.236CC..Hα-helixtrans-61.8-45.3171.9171.40000111L12 K20 T21 L27 R28 V40 L113 D115L12-V24 HydrophobicContact CB-CG2 4.1Å; L12-V24 HydrophobicContact CD1-CG2 3.75Å; L12-V24 HydrophobicContact CD2-CG2 3.71Å; L12-V24 HydrophobicContact CG-CG2 4.02Å; K20-V24 WeakPolarHBondContact O-CG2 3.39Å; K20-V24 PolarHBondContact O-N 3.44Å; T21-V24 PolarHBondContact O-N 3.38Å; V24-L27 PolarHBondContact O-N 2.99Å; V24-R28 WeakPolarHBondContact O-CB 3.42Å; V24-R28 PolarHBondContact O-N 3.42Å; V24-V40 HydrophobicContact CG1-CB 4.35Å; V24-V40 HydrophobicContact CG1-CG1 3.34Å; V24-V40 HydrophobicContact CG1-CG2 4.03Å; V24-L113 HydrophobicContact CG1-CB 4.22Å; V24-L113 HydrophobicContact CG1-CD1 4.42Å; V24-D115 HydrophobicContact CG2-CB 4Å
25A92.4Very high92.5Very high45 Ų4554.1 Ų54.137%0.37227%0.274SS..Hα-helixtrans-62.7-44.1178.800000111.8T21 T22 R28 E29T21-A25 WeakPolarHBondContact O-CB 3.44Å; T21-A25 PolarHBondContact O-N 2.99Å; T22-A25 PolarHBondContact O-N 3.33Å; A25-R28 PolarHBondContact O-N 3.48Å; A25-E29 WeakPolarHBondContact O-CB 3.48Å; A25-E29 PolarHBondContact O-N 2.89Å
26F92.7Very high92.4Very high63 Ų6355.7 Ų55.728%0.27628%0.284SS..Hα-helixtrans-63.1-43.5176.3-179.7-99.9000112.6T22 Q23 E29 T30T22-F26 PolarHBondContact O-N 3.27Å; Q23-F26 PolarHBondContact O-N 2.97Å; F26-E29 PolarHBondContact O-N 2.89Å; F26-T30 WeakPolarHBondContact O-CB 3.2Å; F26-T30 PolarHBondContact O-N 2.88Å; F26-T30 PolarHBondContact O-OG1 3.17Å
27L92.6Very high92.6Very high3 Ų358.8 Ų58.82%0.01630%0.304CS..Hα-helixtrans-65-42176.9-18051.8000111.5Q23 V24 T30 L31 L113 F207Q23-L27 WeakPolarHBondContact O-CB 3.4Å; Q23-L27 PolarHBondContact O-N 2.95Å; V24-L27 PolarHBondContact O-N 2.99Å; L27-T30 PolarHBondContact O-N 3.07Å; L27-L31 HydrophobicContact CD1-CD1 4.15Å; L27-L31 HydrophobicContact CD1-CG 4.22Å; L27-L31 HydrophobicContact CG-CD1 4.22Å; L27-L31 WeakPolarHBondContact O-CG 2.96Å; L27-L31 PolarHBondContact O-N 2.88Å; L27-L113 HydrophobicContact CB-CD1 3.97Å; L27-L113 HydrophobicContact CD2-CD1 3.96Å; L27-L113 HydrophobicContact CD2-CD2 3.49Å; L27-L113 VanDerWaalsContact CD2-CD2 3.49Å; L27-L113 HydrophobicContact CD2-CG 4.37Å; L27-L113 HydrophobicContact CG-CD1 3.68Å; L27-L113 HydrophobicContact CG-CD2 3.99Å; L27-F207 HydrophobicContact CB-CE2 4.27Å; L27-F207 HydrophobicContact CD1-CB 4.28Å; L27-F207 HydrophobicContact CD1-CD2 3.43Å; L27-F207 VanDerWaalsContact CD1-CD2 3.43Å; L27-F207 HydrophobicContact CD1-CE2 3.86Å; L27-F207 HydrophobicContact CD1-CG 3.96Å; L27-F207 HydrophobicContact CD2-CD1 4.45Å; L27-F207 HydrophobicContact CD2-CD2 4.32Å; L27-F207 HydrophobicContact CD2-CE2 4.43Å; L27-F207 HydrophobicContact CD2-CG 4.28Å; L27-F207 HydrophobicContact CG-CD2 4.34Å; L27-F207 HydrophobicContact CG-CE2 4.41Å
28R94.4Very high92.9Very high111 Ų11155.5 Ų55.542%0.41930%0.295SS..Hα-helixtrans-57-53.1173.6-172.6-166.170.5-172.3-2.9110.8V24 A25 T30 L31 E32 V38 V40 L113V24-R28 WeakPolarHBondContact O-CB 3.42Å; V24-R28 PolarHBondContact O-N 3.42Å; A25-R28 PolarHBondContact O-N 3.48Å; R28-T30 VanDerWaalsContact C-N 3.26Å; R28-T30 PolarHBondContact O-N 3.37Å; R28-L31 PolarHBondContact O-N 2.77Å; R28-L31 VanDerWaalsContact O-N 3.16Å; R28-E32 WeakPolarHBondContact CD-OE1 3.37Å; R28-E32 HydrophobicContact CG-CG 4.33Å; R28-E32 WeakPolarHBondContact CG-OE1 3.46Å; R28-E32 IonicContact NE-OE1 2.64Å; R28-E32 PolarHBondContact NE-OE1 3.19Å; R28-E32 IonicContact NE-OE2 3.33Å; R28-E32 WeakPolarHBondContact O-CB 3.32Å; R28-E32 WeakPolarHBondContact O-CG 3.25Å; R28-E32 PolarHBondContact O-N 2.94Å; R28-V38 HydrophobicContact CG-CG1 3.86Å; R28-V40 HydrophobicContact CB-CG2 3.94Å; R28-V40 HydrophobicContact CG-CG2 3.81Å; R28-L113 HydrophobicContact CB-CD1 4.23Å
29E93.5Very high93.1Very high87 Ų8760.3 Ų60.341%0.40731%0.312SS..Hα-helixtrans-59.4-38.6-179.5-171.9-170.3163.400111.7A25 F26 E32 K33A25-E29 WeakPolarHBondContact O-CB 3.48Å; A25-E29 PolarHBondContact O-N 2.89Å; F26-E29 PolarHBondContact O-N 2.89Å; E29-E32 PolarHBondContact O-N 3.22Å; E29-K33 HydrophobicContact CG-CD 4.4Å; E29-K33 WeakPolarHBondContact O-CB 3.32Å; E29-K33 VanDerWaalsContact O-CG 3.26Å; E29-K33 WeakPolarHBondContact O-CG 3.37Å; E29-K33 PolarHBondContact O-N 3.43Å; E29-K33 WeakPolarHBondContact OE1-CE 3.47Å; E29-K33 IonicContact OE1-NZ 2.97Å; E29-K33 PolarHBondContact OE1-NZ 2.8Å
30T93.6Very high93.3Very high33 Ų3361.8 Ų61.820%0.20232%0.318CS..Hα-helixtrans-64.5-43.7177.5-59.10000111.7F26 L27 R28 K33 I34F26-T30 WeakPolarHBondContact O-CB 3.2Å; F26-T30 PolarHBondContact O-N 2.88Å; F26-T30 PolarHBondContact O-OG1 3.17Å; L27-T30 PolarHBondContact O-N 3.07Å; R28-T30 VanDerWaalsContact C-N 3.26Å; R28-T30 PolarHBondContact O-N 3.37Å; T30-K33 PolarHBondContact O-N 2.66Å; T30-I34 PolarHBondContact O-N 3.15Å
31L92.5Very high93.3Very high5 Ų561.8 Ų61.83%0.02632%0.318CS..Hα-helixtrans-67.4-41.6177.1-71.2170000112L27 R28 K33 I34 N35 T36 V38 L113 F208L27-L31 HydrophobicContact CD1-CD1 4.15Å; L27-L31 HydrophobicContact CD1-CG 4.22Å; L27-L31 HydrophobicContact CG-CD1 4.22Å; L27-L31 WeakPolarHBondContact O-CG 2.96Å; L27-L31 PolarHBondContact O-N 2.88Å; R28-L31 PolarHBondContact O-N 2.77Å; R28-L31 VanDerWaalsContact O-N 3.16Å; L31-K33 PolarHBondContact O-N 3.25Å; L31-I34 HydrophobicContact CD2-CD1 4.46Å; L31-I34 CarbonylContact O-C 3.53Å; L31-I34 VanDerWaalsContact O-CG1 3.22Å; L31-I34 WeakPolarHBondContact O-CG1 3.21Å; L31-I34 PolarHBondContact O-N 2.77Å; L31-N35 PolarHBondContact O-N 3.29Å; L31-T36 HydrophobicContact CD2-CG2 4.06Å; L31-T36 PolarHBondContact O-N 3.2Å; L31-V38 HydrophobicContact CB-CB 4.24Å; L31-V38 HydrophobicContact CB-CG1 3.97Å; L31-V38 HydrophobicContact CD1-CB 3.97Å; L31-V38 HydrophobicContact CD1-CG1 4.43Å; L31-V38 HydrophobicContact CD1-CG2 3.72Å; L31-L113 HydrophobicContact CD1-CD1 4.37Å; L31-L113 HydrophobicContact CD1-CD2 4.48Å; L31-F208 HydrophobicContact CD2-CE2 4.12Å
32E92.4Very high93.4Very high92 Ų9264.1 Ų64.143%0.4332%0.319SS..Hα-helixtrans-61.9-42176.1-72.6169.1164.700111.4R28 E29 I34 N35 V38R28-E32 WeakPolarHBondContact CD-OE1 3.37Å; R28-E32 HydrophobicContact CG-CG 4.33Å; R28-E32 WeakPolarHBondContact CG-OE1 3.46Å; R28-E32 IonicContact NE-OE1 2.64Å; R28-E32 PolarHBondContact NE-OE1 3.19Å; R28-E32 IonicContact NE-OE2 3.33Å; R28-E32 WeakPolarHBondContact O-CB 3.32Å; R28-E32 WeakPolarHBondContact O-CG 3.25Å; R28-E32 PolarHBondContact O-N 2.94Å; E29-E32 PolarHBondContact O-N 3.22Å; E32-I34 PolarHBondContact O-N 3Å; E32-N35 PolarHBondContact O-N 3.23Å; E32-V38 HydrophobicContact CG-CG1 3.96Å
33K95.7Very high93.6Very high138 Ų13860.3 Ų60.360%0.630%0.295SS*.Hα-helixtrans-59.1-29176.3-80.5172-178166.40113.9E29 T30 L31E29-K33 HydrophobicContact CG-CD 4.4Å; E29-K33 WeakPolarHBondContact O-CB 3.32Å; E29-K33 VanDerWaalsContact O-CG 3.26Å; E29-K33 WeakPolarHBondContact O-CG 3.37Å; E29-K33 PolarHBondContact O-N 3.43Å; E29-K33 WeakPolarHBondContact OE1-CE 3.47Å; E29-K33 IonicContact OE1-NZ 2.97Å; E29-K33 PolarHBondContact OE1-NZ 2.8Å; T30-K33 PolarHBondContact O-N 2.66Å; L31-K33 PolarHBondContact O-N 3.25Å
34I94.7Very high93.6Very high91 Ų9159.5 Ų59.547%0.46729%0.293SS..THydrogen-bonded Turntrans-100.218.7176.664.1168.4000112.7T30 L31 E32 T36T30-I34 PolarHBondContact O-N 3.15Å; L31-I34 HydrophobicContact CD2-CD1 4.46Å; L31-I34 CarbonylContact O-C 3.53Å; L31-I34 VanDerWaalsContact O-CG1 3.22Å; L31-I34 WeakPolarHBondContact O-CG1 3.21Å; L31-I34 PolarHBondContact O-N 2.77Å; E32-I34 PolarHBondContact O-N 3Å; I34-T36 WeakPolarHBondContact CG1-OG1 3.44Å; I34-T36 PolarHBondContact O-N 3.1Å
35N94.4Very high93.5Very high148 Ų14860.9 Ų60.979%0.79130%0.301SS*.THydrogen-bonded Turntrans54.633.6179.1-57.2-69.3000113.9L31 E32L31-N35 PolarHBondContact O-N 3.29Å; E32-N35 PolarHBondContact O-N 3.23Å
36T93.1Very high93.3Very high34 Ų3463.2 Ų63.221%0.20930%0.3CS..  trans-95.2120.7176.8-61.20000109.6L31 I34 V38 H111L31-T36 HydrophobicContact CD2-CG2 4.06Å; L31-T36 PolarHBondContact O-N 3.2Å; I34-T36 WeakPolarHBondContact CG1-OG1 3.44Å; I34-T36 PolarHBondContact O-N 3.1Å; T36-V38 PolarHBondContact O-N 3.39Å; T36-H111 WeakPolarHBondContact CG2-CD2 3.41Å; T36-H111 VanDerWaalsContact CG2-NE2 3.32Å; T36-H111 WeakPolarHBondContact CG2-NE2 3.48Å
37P94.8Very high92.8Very high75 Ų7563.1 Ų63.149%0.48731%0.307SS..  trans-60.4126.1-179.7-2333.5000111.5T110 H111P37-T110 HydrophobicContact CB-CG2 4.14Å; P37-H111 PolarHBondContact O-N 2.94Å
38V94Very high92.4Very high23 Ų2364.1 Ų64.114%0.13932%0.318CS..EExtended strand (participates in β ladder)trans-140.3140.4-179.560.80000111R28 L31 E32 T36 H111 L113R28-V38 HydrophobicContact CG-CG1 3.86Å; L31-V38 HydrophobicContact CB-CB 4.24Å; L31-V38 HydrophobicContact CB-CG1 3.97Å; L31-V38 HydrophobicContact CD1-CB 3.97Å; L31-V38 HydrophobicContact CD1-CG1 4.43Å; L31-V38 HydrophobicContact CD1-CG2 3.72Å; E32-V38 HydrophobicContact CG-CG1 3.96Å; T36-V38 PolarHBondContact O-N 3.39Å; V38-H111 CarbonylContact C-O 3.57Å; V38-H111 VanDerWaalsContact CA-O 3.31Å; V38-H111 WeakPolarHBondContact CA-O 3.33Å; V38-H111 HydrophobicContact CB-CB 4.43Å; V38-H111 HydrophobicContact CG2-CB 4.36Å; V38-L113 HydrophobicContact CG2-CD1 3.86Å; V38-L113 HydrophobicContact CG2-CG 3.74Å
39R94.5Very high92Very high101 Ų10164.3 Ų64.338%0.38133%0.334SS..EExtended strand (participates in β ladder)trans-120.2142169.6-16468.8177.2-169.81.6109.8F41 L105 T110 H111 V112 L113R39-F41 HydrophobicContact CB-CE2 4.46Å; R39-F41 HydrophobicContact CB-CZ 4.29Å; R39-F41 HydrophobicContact CG-CE1 3.83Å; R39-F41 HydrophobicContact CG-CE2 4.07Å; R39-F41 HydrophobicContact CG-CZ 3.47Å; R39-F41 VanDerWaalsContact CG-CZ 3.47Å; R39-L105 HydrophobicContact CB-CD1 3.84Å; R39-L105 HydrophobicContact CG-CD1 3.81Å; R39-T110 HydrophobicContact CB-CG2 4.26Å; R39-H111 PolarHBondContact N-O 3.43Å; R39-V112 CarbonylContact O-C 3.55Å; R39-V112 WeakPolarHBondContact O-CA 3.11Å; R39-L113 PolarHBondContact O-N 2.93Å
40V93.5Very high91.9Very high47 Ų4761.6 Ų61.629%0.28532%0.323SS..EExtended strand (participates in β ladder)trans-113.6133178.5178.70000109.8V24 R28 L113V24-V40 HydrophobicContact CG1-CB 4.35Å; V24-V40 HydrophobicContact CG1-CG1 3.34Å; V24-V40 HydrophobicContact CG1-CG2 4.03Å; R28-V40 HydrophobicContact CB-CG2 3.94Å; R28-V40 HydrophobicContact CG-CG2 3.81Å; V40-L113 CarbonylContact C-O 3.52Å; V40-L113 WeakPolarHBondContact CA-O 3.26Å; V40-L113 HydrophobicContact CG2-CB 4.21Å; V40-L113 HydrophobicContact CG2-CD1 4.21Å
41F93.6Very high91.7Very high9 Ų960 Ų604%0.03931%0.314CS..EExtended strand (participates in β ladder)trans-121.2155.3168.8-55.8-61.6000110.6R39 Y43 G97 E101 I102 L105 V112 L113 A114 D115R39-F41 HydrophobicContact CB-CE2 4.46Å; R39-F41 HydrophobicContact CB-CZ 4.29Å; R39-F41 HydrophobicContact CG-CE1 3.83Å; R39-F41 HydrophobicContact CG-CE2 4.07Å; R39-F41 HydrophobicContact CG-CZ 3.47Å; R39-F41 VanDerWaalsContact CG-CZ 3.47Å; F41-Y43 HydrophobicContact CB-CE2 3.99Å; F41-G97 VanDerWaalsContact CD1-N 3.32Å; F41-G97 VanDerWaalsContact CE1-N 3.26Å; F41-E101 WeakPolarHBondContact CE1-OE1 3.49Å; F41-E101 HydrophobicContact CZ-CG 4.38Å; F41-E101 WeakPolarHBondContact CZ-OE1 3.36Å; F41-I102 HydrophobicContact CD2-CD1 4.45Å; F41-I102 HydrophobicContact CD2-CG1 4.1Å; F41-I102 HydrophobicContact CE2-CG1 3.87Å; F41-L105 HydrophobicContact CE2-CD1 3.82Å; F41-L105 HydrophobicContact CZ-CD1 3.5Å; F41-L105 VanDerWaalsContact CZ-CD1 3.5Å; F41-V112 HydrophobicContact CD2-CG1 3.55Å; F41-V112 HydrophobicContact CE2-CG1 3.65Å; F41-V112 HydrophobicContact CE2-CG2 4.35Å; F41-L113 PolarHBondContact N-O 2.65Å; F41-A114 CarbonylContact O-C 3.47Å; F41-A114 WeakPolarHBondContact O-CA 3.35Å; F41-D115 PolarHBondContact O-N 3.31Å
42R92.5Very high91.6Very high120 Ų12064.2 Ų64.245%0.45334%0.335SS..EExtended strand (participates in β ladder)trans-131.7139.1174.2172.3178.1-73.3139.25.5109.1T21 P44 T45 D115T21-R42 PolarHBondContact OG1-NH2 3.11Å; R42-P44 CarbonylContact O-C 3.6Å; R42-T45 WeakPolarHBondContact O-CA 3.36Å; R42-T45 PolarHBondContact O-N 3.04Å; R42-D115 WeakPolarHBondContact CA-O 3.32Å; R42-D115 HydrophobicContact CB-CB 4.12Å; R42-D115 HydrophobicContact CG-CB 4.2Å; R42-D115 IonicContact CZ-OD2 2.71Å; R42-D115 IonicContact NE-OD2 3.49Å; R42-D115 PolarHBondContact NE-OD2 2.95Å; R42-D115 IonicContact NH2-OD2 3.8Å; R42-D115 PolarHBondContact NH2-OD2 3.19Å
43Y94.4Very high91.7Very high6 Ų661.3 Ų61.32%0.02433%0.327CS..SBendtrans-120.5135.8174.6-63.1-78000111.8F41 T45 R77 G97 A114 D115 R116 Y117F41-Y43 HydrophobicContact CB-CE2 3.99Å; Y43-T45 HydrophobicContact CD1-CG2 4.32Å; Y43-T45 HydrophobicContact CE1-CG2 4.22Å; Y43-R77 HydrophobicContact CD1-CG 3.58Å; Y43-R77 HydrophobicContact CE1-CB 4.24Å; Y43-R77 HydrophobicContact CE1-CG 3.72Å; Y43-R77 HydrophobicContact CG-CG 4.04Å; Y43-G97 WeakPolarHBondContact OH-CA 3.25Å; Y43-G97 PolarHBondContact OH-O 3.32Å; Y43-A114 HydrophobicContact CE2-CB 4.4Å; Y43-D115 PolarHBondContact N-O 3.27Å; Y43-R116 VanDerWaalsContact CD2-O 3.3Å; Y43-R116 WeakPolarHBondContact CD2-O 3.18Å; Y43-R116 WeakPolarHBondContact O-CD 3.03Å; Y43-Y117 AromaticContact CD2-CD2 3.84Å; Y43-Y117 HydrophobicContact CD2-CD2 3.84Å; Y43-Y117 HydrophobicContact CD2-CE2 4.47Å; Y43-Y117 AromaticContact CE2-CD2 3.62Å; Y43-Y117 HydrophobicContact CE2-CD2 3.62Å; Y43-Y117 AromaticContact CE2-CE2 3.85Å; Y43-Y117 HydrophobicContact CE2-CE2 3.85Å
44P93.8Very high91.7Very high15 Ų1554.8 Ų54.810%0.09730%0.298CS..SBendcis-64.9154-8.132.4-38.2000111.7R42 R46 L54 L58 F73 D76R42-P44 CarbonylContact O-C 3.6Å; P44-R46 HydrophobicContact CG-CG 4.13Å; P44-R46 PolarHBondContact O-N 3Å; P44-L54 HydrophobicContact CB-CB 4.22Å; P44-L54 HydrophobicContact CB-CD1 3.7Å; P44-L58 HydrophobicContact CG-CD1 3.8Å; P44-F73 HydrophobicContact CB-CD1 4.19Å; P44-F73 HydrophobicContact CB-CE1 3.95Å; P44-F73 HydrophobicContact CG-CE1 3.89Å; P44-D76 WeakPolarHBondContact CA-OD2 3.4Å
45T90.1Very high91.7Very high32 Ų3251.6 Ų51.620%0.19628%0.284CS..  trans-63.2-29.1-179.461.50000112.6R42 Y43 S47 D76R42-T45 WeakPolarHBondContact O-CA 3.36Å; R42-T45 PolarHBondContact O-N 3.04Å; Y43-T45 HydrophobicContact CD1-CG2 4.32Å; Y43-T45 HydrophobicContact CE1-CG2 4.22Å; T45-S47 PolarHBondContact O-N 2.83Å; T45-S47 VanDerWaalsContact O-N 3.16Å; T45-S47 PolarHBondContact OG1-N 3.2Å; T45-S47 PolarHBondContact OG1-O 3.13Å; T45-D76 PolarHBondContact N-OD2 3.01Å; T45-D76 PolarHBondContact OG1-OD1 2.96Å
46R88.1Confident91.7Very high95 Ų9548.4 Ų48.436%0.35827%0.265SS..  trans57.515.6-173.4-57.3-167.3-178-149.2-1.5114.4P44 E167P44-R46 HydrophobicContact CG-CG 4.13Å; P44-R46 PolarHBondContact O-N 3Å; R46-E167 IonicContact CZ-OE1 2.8Å; R46-E167 IonicContact NH1-OE1 3.3Å; R46-E167 PolarHBondContact NH1-OE1 2.97Å; R46-E167 IonicContact NH2-OE1 2.84Å; R46-E167 PolarHBondContact NH2-OE1 3.47Å; R46-E167 IonicContact NH2-OE2 2.66Å; R46-E167 PolarHBondContact NH2-OE2 3.3Å
47S83.5Confident91.9Very high61 Ų6147.8 Ų47.843%0.42726%0.259SS..  trans-130.3162175.763.60000110.7T45 G51T45-S47 PolarHBondContact O-N 2.83Å; T45-S47 VanDerWaalsContact O-N 3.16Å; T45-S47 PolarHBondContact OG1-N 3.2Å; T45-S47 PolarHBondContact OG1-O 3.13Å; S47-G51 WeakPolarHBondContact O-CA 3.45Å; S47-G51 PolarHBondContact O-N 2.67Å
48G83.2Confident92Very high23 Ų2344.5 Ų44.524%0.23724%0.237CC..Hα-helixtrans67175.9-17100000113.4T50 G51 I52G48-T50 PolarHBondContact O-N 2.85Å; G48-G51 PolarHBondContact O-N 3.5Å; G48-I52 WeakPolarHBondContact O-CB 3.47Å; G48-I52 WeakPolarHBondContact O-CD1 3.46Å; G48-I52 WeakPolarHBondContact O-CG1 3.49Å; G48-I52 PolarHBondContact O-N 3.44Å
49P87.1Confident92Very high116 Ų11647 Ų4775%0.75325%0.249SC*.Hα-helixtrans-58.1-44.8-172.9-26.635.6000113.8A53P49-A53 PolarHBondContact O-N 2.86Å
50T89.9Confident92Very high30 Ų3047.2 Ų47.218%0.18425%0.253CS..Hα-helixtrans-66.9-48.3178.6-49.10000111.6G48 I52 A53 L54 L72 A75 D76G48-T50 PolarHBondContact O-N 2.85Å; T50-I52 VanDerWaalsContact C-N 3.33Å; T50-I52 PolarHBondContact O-N 2.91Å; T50-A53 PolarHBondContact O-N 2.82Å; T50-L54 HydrophobicContact CG2-CD1 4.21Å; T50-L54 WeakPolarHBondContact O-CG 3.36Å; T50-L54 PolarHBondContact O-N 3.29Å; T50-L72 HydrophobicContact CG2-CB 4.42Å; T50-L72 HydrophobicContact CG2-CD2 4.2Å; T50-L72 VanDerWaalsContact CG2-O 3.3Å; T50-L72 WeakPolarHBondContact CG2-O 3.25Å; T50-A75 HydrophobicContact CG2-CB 4.3Å; T50-D76 HydrophobicContact CG2-CB 3.92Å
51G90.1Very high92Very high0 Ų049.4 Ų49.40%027%0.267CS..Hα-helixtrans-63.6-36.518000000112.9S47 G48 L54 S55S47-G51 WeakPolarHBondContact O-CA 3.45Å; S47-G51 PolarHBondContact O-N 2.67Å; G48-G51 PolarHBondContact O-N 3.5Å; G51-L54 PolarHBondContact O-N 3.49Å; G51-S55 WeakPolarHBondContact O-CB 3.36Å; G51-S55 PolarHBondContact O-N 3.49Å
52I91Very high92Very high92 Ų9254.3 Ų54.347%0.47229%0.29SS..Hα-helixtrans-62.7-48.6174.3-70.6165.7000110.6G48 T50 L54 S55 Q56G48-I52 WeakPolarHBondContact O-CB 3.47Å; G48-I52 WeakPolarHBondContact O-CD1 3.46Å; G48-I52 WeakPolarHBondContact O-CG1 3.49Å; G48-I52 PolarHBondContact O-N 3.44Å; T50-I52 VanDerWaalsContact C-N 3.33Å; T50-I52 PolarHBondContact O-N 2.91Å; I52-L54 VanDerWaalsContact C-N 3.33Å; I52-L54 PolarHBondContact O-N 2.9Å; I52-S55 WeakPolarHBondContact O-CB 3.49Å; I52-S55 PolarHBondContact O-N 2.96Å; I52-S55 VanDerWaalsContact O-N 3.12Å; I52-Q56 WeakPolarHBondContact O-CG 3.41Å; I52-Q56 PolarHBondContact O-N 2.82Å
53A93.8Very high92.1Very high32 Ų3254.8 Ų54.826%0.26431%0.306SS..Hα-helixtrans-60.4-42.3177.500000112P49 T50 S55 Q56 Y57P49-A53 PolarHBondContact O-N 2.86Å; T50-A53 PolarHBondContact O-N 2.82Å; A53-S55 VanDerWaalsContact C-N 3.33Å; A53-S55 PolarHBondContact O-N 2.97Å; A53-Q56 PolarHBondContact O-N 3.33Å; A53-Y57 PolarHBondContact O-N 3.2Å; A53-Y57 VanDerWaalsContact O-N 3.07Å
54L95.1Very high92.1Very high0 Ų057.6 Ų57.60%032%0.324CS..Hα-helixtrans-62.1-39.9174.2-69.6174.3000112.1P44 T50 G51 I52 Y57 L58 I69 L72 F73 D76P44-L54 HydrophobicContact CB-CB 4.22Å; P44-L54 HydrophobicContact CB-CD1 3.7Å; T50-L54 HydrophobicContact CG2-CD1 4.21Å; T50-L54 WeakPolarHBondContact O-CG 3.36Å; T50-L54 PolarHBondContact O-N 3.29Å; G51-L54 PolarHBondContact O-N 3.49Å; I52-L54 VanDerWaalsContact C-N 3.33Å; I52-L54 PolarHBondContact O-N 2.9Å; L54-Y57 PolarHBondContact O-N 3.22Å; L54-L58 WeakPolarHBondContact O-CB 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.37Å; L54-L58 PolarHBondContact O-N 3.05Å; L54-I69 HydrophobicContact CD2-CD1 3.59Å; L54-I69 HydrophobicContact CD2-CG1 4.16Å; L54-L72 HydrophobicContact CD2-CB 3.7Å; L54-L72 HydrophobicContact CG-CB 4.28Å; L54-F73 HydrophobicContact CD1-CD1 3.86Å; L54-F73 HydrophobicContact CD1-CE1 4.21Å; L54-F73 HydrophobicContact CD1-CG 4.39Å; L54-F73 HydrophobicContact CD2-CD1 3.79Å; L54-F73 HydrophobicContact CD2-CD2 3.84Å; L54-F73 HydrophobicContact CD2-CE1 3.86Å; L54-F73 HydrophobicContact CD2-CE2 3.9Å; L54-F73 HydrophobicContact CD2-CG 3.77Å; L54-F73 HydrophobicContact CD2-CZ 3.9Å; L54-F73 HydrophobicContact CG-CD1 4.41Å; L54-F73 HydrophobicContact CG-CE1 4.44Å; L54-D76 HydrophobicContact CD1-CB 3.69Å
55S94.3Very high92.2Very high25 Ų2561.5 Ų61.518%0.17534%0.344CS..Hα-helixtrans-66.6-40.7177.7-167.50000112G51 I52 A53 Y57 L58 N59G51-S55 WeakPolarHBondContact O-CB 3.36Å; G51-S55 PolarHBondContact O-N 3.49Å; I52-S55 WeakPolarHBondContact O-CB 3.49Å; I52-S55 PolarHBondContact O-N 2.96Å; I52-S55 VanDerWaalsContact O-N 3.12Å; A53-S55 VanDerWaalsContact C-N 3.33Å; A53-S55 PolarHBondContact O-N 2.97Å; S55-Y57 VanDerWaalsContact C-N 3.33Å; S55-L58 PolarHBondContact O-N 3.06Å; S55-N59 VanDerWaalsContact O-CB 3.24Å; S55-N59 WeakPolarHBondContact O-CB 3.32Å; S55-N59 PolarHBondContact O-N 3.1Å; S55-N59 PolarHBondContact O-ND2 3.2Å; S55-N59 PolarHBondContact OG-ND2 2.77Å
56Q96.1Very high92.6Very high81 Ų8162.4 Ų62.438%0.37935%0.348SS..Hα-helixtrans-61.5-43.4176-72.4171.4-30.800111.3I52 A53 K60 T61 E62I52-Q56 WeakPolarHBondContact O-CG 3.41Å; I52-Q56 PolarHBondContact O-N 2.82Å; A53-Q56 PolarHBondContact O-N 3.33Å; Q56-K60 PolarHBondContact O-N 3.01Å; Q56-T61 VanDerWaalsContact CA-OG1 3.22Å; Q56-T61 WeakPolarHBondContact CA-OG1 3.38Å; Q56-T61 WeakPolarHBondContact CB-OG1 3.37Å; Q56-T61 PolarHBondContact O-N 3.47Å; Q56-T61 PolarHBondContact O-OG1 2.98Å; Q56-E62 HydrophobicContact CB-CB 4.07Å; Q56-E62 HydrophobicContact CB-CG 3.93Å; Q56-E62 PolarHBondContact O-N 3.17Å
57Y97Very high93.1Very high20 Ų2062 Ų628%0.07835%0.35CS..Hα-helixtrans-61.6-50.8174.3175.1-93.1000112.5A53 L54 S55 N59 K60 T64 I69 K128 V168 Y169A53-Y57 PolarHBondContact O-N 3.2Å; A53-Y57 VanDerWaalsContact O-N 3.07Å; L54-Y57 PolarHBondContact O-N 3.22Å; S55-Y57 VanDerWaalsContact C-N 3.33Å; Y57-N59 VanDerWaalsContact C-N 3.28Å; Y57-N59 PolarHBondContact O-N 3.49Å; Y57-K60 PolarHBondContact O-N 2.96Å; Y57-T64 HydrophobicContact CD2-CG2 3.95Å; Y57-T64 HydrophobicContact CE2-CG2 4.27Å; Y57-I69 HydrophobicContact CD1-CD1 3.61Å; Y57-I69 HydrophobicContact CD1-CG1 3.54Å; Y57-I69 HydrophobicContact CD2-CD1 3.84Å; Y57-I69 HydrophobicContact CD2-CG1 4.05Å; Y57-I69 HydrophobicContact CE1-CD1 4.33Å; Y57-I69 HydrophobicContact CE1-CG1 3.78Å; Y57-I69 HydrophobicContact CE1-CG2 4.49Å; Y57-I69 HydrophobicContact CE2-CB 4.46Å; Y57-I69 HydrophobicContact CE2-CG1 4.24Å; Y57-I69 HydrophobicContact CG-CD1 3.34Å; Y57-I69 HydrophobicContact CG-CG1 3.7Å; Y57-K128 PolarHBondContact OH-NZ 3.14Å; Y57-V168 HydrophobicContact CD1-CG1 4.24Å; Y57-V168 HydrophobicContact CE1-CG1 3.68Å; Y57-Y169 HydrophobicContact CE1-CE1 4.2Å; Y57-Y169 HydrophobicContact CE1-CE2 4.49Å; Y57-Y169 AromaticContact CE1-CZ 3.76Å; Y57-Y169 VanDerWaalsContact CE1-OH 3.28Å; Y57-Y169 WeakPolarHBondContact CE1-OH 3.22Å
58L95.7Very high93.8Very high6 Ų661 Ų613%0.03135%0.345CS..Hα-helixtrans-62.7-36.3-178-74.5175000112.4P44 L54 S55 K60 F73 E167 V168 Y169P44-L58 HydrophobicContact CG-CD1 3.8Å; L54-L58 WeakPolarHBondContact O-CB 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.37Å; L54-L58 PolarHBondContact O-N 3.05Å; S55-L58 PolarHBondContact O-N 3.06Å; L58-K60 PolarHBondContact O-N 3.2Å; L58-F73 HydrophobicContact CD1-CE1 4.41Å; L58-F73 HydrophobicContact CD1-CZ 4.24Å; L58-F73 HydrophobicContact CD2-CZ 4.08Å; L58-F73 HydrophobicContact CG-CZ 4.23Å; L58-E167 CarbonylContact O-C 3.55Å; L58-E167 VanDerWaalsContact O-CA 3.3Å; L58-E167 WeakPolarHBondContact O-CA 3.3Å; L58-V168 HydrophobicContact CD2-CG1 3.82Å; L58-V168 PolarHBondContact O-N 3.49Å; L58-Y169 HydrophobicContact CD2-CD2 3.88Å; L58-Y169 HydrophobicContact CD2-CE2 3.74Å
59N95.1Very high94.5Very high75 Ų7560 Ų6040%0.40133%0.334SS..THydrogen-bonded Turntrans-81.56.7177.2-66-19.6000113.6S55 Y57 T61S55-N59 VanDerWaalsContact O-CB 3.24Å; S55-N59 WeakPolarHBondContact O-CB 3.32Å; S55-N59 PolarHBondContact O-N 3.1Å; S55-N59 PolarHBondContact O-ND2 3.2Å; S55-N59 PolarHBondContact OG-ND2 2.77Å; Y57-N59 VanDerWaalsContact C-N 3.28Å; Y57-N59 PolarHBondContact O-N 3.49Å; N59-T61 HydrophobicContact CB-CG2 4.23Å; N59-T61 PolarHBondContact O-N 3.19Å
60K93.6Very high95Very high107 Ų10754.4 Ų54.447%0.46530%0.298SS..THydrogen-bonded Turntrans61.819.9178.1-49.9161-177.9151.80113.8Q56 Y57 L58 G165 Q166 E167 V168Q56-K60 PolarHBondContact O-N 3.01Å; Y57-K60 PolarHBondContact O-N 2.96Å; L58-K60 PolarHBondContact O-N 3.2Å; K60-G165 PolarHBondContact NZ-O 3.16Å; K60-Q166 WeakPolarHBondContact CE-O 3.42Å; K60-Q166 PolarHBondContact NZ-O 3.31Å; K60-E167 VanDerWaalsContact CE-C 3.44Å; K60-E167 WeakPolarHBondContact CE-O 3.42Å; K60-E167 PolarHBondContact NZ-O 3.14Å; K60-V168 HydrophobicContact CG-CB 4.17Å
61T94Very high95.4Very high92 Ų9257 Ų5756%0.56431%0.31SS*.SBendtrans-84.4-26.6177.3650000111.8Q56 N59Q56-T61 VanDerWaalsContact CA-OG1 3.22Å; Q56-T61 WeakPolarHBondContact CA-OG1 3.38Å; Q56-T61 WeakPolarHBondContact CB-OG1 3.37Å; Q56-T61 PolarHBondContact O-N 3.47Å; Q56-T61 PolarHBondContact O-OG1 2.98Å; N59-T61 HydrophobicContact CB-CG2 4.23Å; N59-T61 PolarHBondContact O-N 3.19Å
62E93.5Very high95.7Very high113 Ų11359.8 Ų59.853%0.52833%0.325SS..SBendtrans-130.1154.9174.5-68.9-62.916100110.1Q56Q56-E62 HydrophobicContact CB-CB 4.07Å; Q56-E62 HydrophobicContact CB-CG 3.93Å; Q56-E62 PolarHBondContact O-N 3.17Å
63T93.7Very high96Very high129 Ų12956.3 Ų56.379%0.79131%0.306SS*.  trans-123.3151.3175.4630000110
64T94.4Very high96.1Very high66 Ų6655 Ų5541%0.40530%0.295SS..  trans-157168.7177.1-164.40000110.1Y57 I69Y57-T64 HydrophobicContact CD2-CG2 3.95Å; Y57-T64 HydrophobicContact CE2-CG2 4.27Å; T64-I69 HydrophobicContact CG2-CB 3.64Å; T64-I69 HydrophobicContact CG2-CD1 3.98Å; T64-I69 HydrophobicContact CG2-CG1 4.3Å
65D97.3Very high96.1Very high96 Ų9656.5 Ų56.551%0.51331%0.308SS..  trans-63.7145.4176.7-174.6-91.6000111.5H67 A68 I69D65-H67 VanDerWaalsContact C-N 3.28Å; D65-H67 PolarHBondContact O-N 2.82Å; D65-H67 VanDerWaalsContact OD1-CB 3.25Å; D65-H67 WeakPolarHBondContact OD1-CB 3.43Å; D65-H67 IonicContact OD1-CG 3.48Å; D65-H67 PolarHBondContact OD1-N 2.86Å; D65-H67 IonicContact OD1-ND1 3.67Å; D65-H67 PolarHBondContact OD1-ND1 3.16Å; D65-A68 HydrophobicContact CB-CB 4.15Å; D65-A68 WeakPolarHBondContact O-CB 3.24Å; D65-A68 PolarHBondContact O-N 3.07Å; D65-A68 VanDerWaalsContact O-N 3.09Å; D65-I69 PolarHBondContact O-N 2.73Å
66D97.8Very high96.1Very high52 Ų5255.6 Ų55.628%0.27830%0.301SS..Hα-helixtrans-64.3-30.7-177.2-76.2-29.6000113.2I69 H70 K128 L130D66-I69 WeakPolarHBondContact O-CG2 3.43Å; D66-H70 VanDerWaalsContact O-CB 3.3Å; D66-H70 WeakPolarHBondContact O-CB 3.44Å; D66-H70 PolarHBondContact O-N 2.95Å; D66-H70 VanDerWaalsContact O-N 3.14Å; D66-K128 HydrophobicContact CB-CD 4.31Å; D66-K128 VanDerWaalsContact CG-CD 3.45Å; D66-K128 VanDerWaalsContact OD1-CD 3.22Å; D66-K128 WeakPolarHBondContact OD1-CD 2.95Å; D66-K128 WeakPolarHBondContact OD1-CE 3.36Å; D66-K128 IonicContact OD1-NZ 3.18Å; D66-K128 PolarHBondContact OD1-NZ 3.24Å; D66-K128 WeakPolarHBondContact OD2-CD 3.24Å; D66-L130 HydrophobicContact CB-CD1 3.54Å; D66-L130 HydrophobicContact CB-CD2 4.32Å
67H98.4Very high95.9Very high87 Ų8751.9 Ų51.940%0.40328%0.283SS..Hα-helixtrans-71.1-40.9172.9-57.386.7000111D65 H70 L71 W134D65-H67 VanDerWaalsContact C-N 3.28Å; D65-H67 PolarHBondContact O-N 2.82Å; D65-H67 VanDerWaalsContact OD1-CB 3.25Å; D65-H67 WeakPolarHBondContact OD1-CB 3.43Å; D65-H67 IonicContact OD1-CG 3.48Å; D65-H67 PolarHBondContact OD1-N 2.86Å; D65-H67 IonicContact OD1-ND1 3.67Å; D65-H67 PolarHBondContact OD1-ND1 3.16Å; H67-H70 PolarHBondContact O-N 3.16Å; H67-L71 WeakPolarHBondContact O-CG 3.15Å; H67-L71 PolarHBondContact O-N 3.14Å; H67-L71 VanDerWaalsContact O-N 3.07Å; H67-W134 HydrophobicContact CB-CH2 3.7Å; H67-W134 HydrophobicContact CB-CZ2 4.15Å; H67-W134 HydrophobicContact CB-CZ3 4.44Å; H67-W134 AromaticContact CD2-CH2 3.65Å; H67-W134 AromaticContact CD2-CZ2 3.79Å; H67-W134 AromaticContact CD2-CZ3 3.86Å
68A98Very high95.7Very high38 Ų3855 Ų5531%0.31430%0.295SS..Hα-helixtrans-63.3-47.7179.300000111.3D65 H70 L71 L72D65-A68 HydrophobicContact CB-CB 4.15Å; D65-A68 WeakPolarHBondContact O-CB 3.24Å; D65-A68 PolarHBondContact O-N 3.07Å; D65-A68 VanDerWaalsContact O-N 3.09Å; A68-H70 VanDerWaalsContact C-N 3.34Å; A68-H70 PolarHBondContact O-N 2.85Å; A68-L71 PolarHBondContact O-N 3.27Å; A68-L72 WeakPolarHBondContact O-CG 3.09Å; A68-L72 PolarHBondContact O-N 3.23Å
69I97.8Very high95.1Very high2 Ų256.9 Ų56.91%0.0131%0.309CS..Hα-helixtrans-66.3-36.5178.5-16370.3000112.2L54 Y57 T64 D65 D66 L71 L72 F73L54-I69 HydrophobicContact CD2-CD1 3.59Å; L54-I69 HydrophobicContact CD2-CG1 4.16Å; Y57-I69 HydrophobicContact CD1-CD1 3.61Å; Y57-I69 HydrophobicContact CD1-CG1 3.54Å; Y57-I69 HydrophobicContact CD2-CD1 3.84Å; Y57-I69 HydrophobicContact CD2-CG1 4.05Å; Y57-I69 HydrophobicContact CE1-CD1 4.33Å; Y57-I69 HydrophobicContact CE1-CG1 3.78Å; Y57-I69 HydrophobicContact CE1-CG2 4.49Å; Y57-I69 HydrophobicContact CE2-CB 4.46Å; Y57-I69 HydrophobicContact CE2-CG1 4.24Å; Y57-I69 HydrophobicContact CG-CD1 3.34Å; Y57-I69 HydrophobicContact CG-CG1 3.7Å; T64-I69 HydrophobicContact CG2-CB 3.64Å; T64-I69 HydrophobicContact CG2-CD1 3.98Å; T64-I69 HydrophobicContact CG2-CG1 4.3Å; D65-I69 PolarHBondContact O-N 2.73Å; D66-I69 WeakPolarHBondContact O-CG2 3.43Å; I69-L71 PolarHBondContact O-N 3.17Å; I69-L72 HydrophobicContact CD1-CD1 4.21Å; I69-L72 PolarHBondContact O-N 2.99Å; I69-F73 HydrophobicContact CD1-CE2 4.48Å; I69-F73 HydrophobicContact CG1-CD2 4.02Å; I69-F73 HydrophobicContact CG1-CE2 3.69Å; I69-F73 VanDerWaalsContact O-CD2 3.23Å; I69-F73 WeakPolarHBondContact O-CD2 3.46Å; I69-F73 PolarHBondContact O-N 2.8Å
70H98.2Very high93.6Very high0 Ų055.2 Ų55.20%030%0.301CS..Hα-helixtrans-58.9-47.5175.3175.578.5000111.5D66 H67 A68 L72 F73 S74 S125 L130 W134 C135D66-H70 VanDerWaalsContact O-CB 3.3Å; D66-H70 WeakPolarHBondContact O-CB 3.44Å; D66-H70 PolarHBondContact O-N 2.95Å; D66-H70 VanDerWaalsContact O-N 3.14Å; H67-H70 PolarHBondContact O-N 3.16Å; A68-H70 VanDerWaalsContact C-N 3.34Å; A68-H70 PolarHBondContact O-N 2.85Å; H70-L72 VanDerWaalsContact C-N 3.31Å; H70-L72 PolarHBondContact O-N 2.7Å; H70-F73 WeakPolarHBondContact O-CB 3.38Å; H70-F73 PolarHBondContact O-N 3.49Å; H70-S74 PolarHBondContact O-N 3.06Å; H70-S74 VanDerWaalsContact O-N 3.08Å; H70-S125 VanDerWaalsContact ND1-CB 3.29Å; H70-S125 WeakPolarHBondContact ND1-CB 3.03Å; H70-S125 PolarHBondContact ND1-OG 3.48Å; H70-L130 HydrophobicContact CB-CD2 4.18Å; H70-W134 HydrophobicContact CB-CH2 4.4Å; H70-W134 HydrophobicContact CB-CZ3 4.04Å; H70-W134 AromaticContact CD2-CH2 3.72Å; H70-W134 AromaticContact CD2-CZ3 3.24Å; H70-W134 WeakPolarHBondContact CD2-CZ3 3.39Å; H70-W134 AromaticContact CG-CZ3 3.71Å; H70-C135 PolarHBondContact CE1-O 2.83Å; H70-C135 VanDerWaalsContact CE1-O 3.23Å; H70-C135 WeakPolarHBondContact NE2-CA 3.49Å; H70-C135 PolarHBondContact NE2-O 3.09Å; H70-C135 VanDerWaalsContact NE2-O 3.13Å
71L98.1Very high91.8Very high85 Ų8551.1 Ų51.145%0.44529%0.287SS..Hα-helixtrans-63.8-35.9177.5-67.2176.2000112H67 A68 I69 S74 A75 W134 P138H67-L71 WeakPolarHBondContact O-CG 3.15Å; H67-L71 PolarHBondContact O-N 3.14Å; H67-L71 VanDerWaalsContact O-N 3.07Å; A68-L71 PolarHBondContact O-N 3.27Å; I69-L71 PolarHBondContact O-N 3.17Å; L71-S74 PolarHBondContact O-N 3.13Å; L71-A75 VanDerWaalsContact O-CB 3.32Å; L71-A75 WeakPolarHBondContact O-CB 3.5Å; L71-A75 PolarHBondContact O-N 3.23Å; L71-W134 HydrophobicContact CD2-CH2 4.22Å; L71-W134 HydrophobicContact CD2-CZ2 4.36Å; L71-W134 HydrophobicContact CG-CH2 4.11Å; L71-W134 HydrophobicContact CG-CZ2 4.45Å; L71-P138 HydrophobicContact CD2-CB 4.1Å; L71-P138 HydrophobicContact CD2-CG 3.56Å
72L96.7Very high89.8Confident57 Ų5752.8 Ų52.830%0.29828%0.284SS..Hα-helixtrans-63.7-42173.2-71.8172.2000112.1T50 L54 A68 I69 H70 S74 A75 D76T50-L72 HydrophobicContact CG2-CB 4.42Å; T50-L72 HydrophobicContact CG2-CD2 4.2Å; T50-L72 VanDerWaalsContact CG2-O 3.3Å; T50-L72 WeakPolarHBondContact CG2-O 3.25Å; L54-L72 HydrophobicContact CD2-CB 3.7Å; L54-L72 HydrophobicContact CG-CB 4.28Å; A68-L72 WeakPolarHBondContact O-CG 3.09Å; A68-L72 PolarHBondContact O-N 3.23Å; I69-L72 HydrophobicContact CD1-CD1 4.21Å; I69-L72 PolarHBondContact O-N 2.99Å; H70-L72 VanDerWaalsContact C-N 3.31Å; H70-L72 PolarHBondContact O-N 2.7Å; L72-S74 VanDerWaalsContact C-N 3.29Å; L72-S74 PolarHBondContact O-N 2.71Å; L72-A75 PolarHBondContact O-N 3.03Å; L72-D76 PolarHBondContact O-N 3.19Å
73F97.2Very high87.6Confident20 Ų2051.9 Ų51.99%0.08828%0.28CS..Hα-helixtrans-60.8-39.2174.8-83.7-67000112P44 L54 L58 I69 H70 R77 Y169P44-F73 HydrophobicContact CB-CD1 4.19Å; P44-F73 HydrophobicContact CB-CE1 3.95Å; P44-F73 HydrophobicContact CG-CE1 3.89Å; L54-F73 HydrophobicContact CD1-CD1 3.86Å; L54-F73 HydrophobicContact CD1-CE1 4.21Å; L54-F73 HydrophobicContact CD1-CG 4.39Å; L54-F73 HydrophobicContact CD2-CD1 3.79Å; L54-F73 HydrophobicContact CD2-CD2 3.84Å; L54-F73 HydrophobicContact CD2-CE1 3.86Å; L54-F73 HydrophobicContact CD2-CE2 3.9Å; L54-F73 HydrophobicContact CD2-CG 3.77Å; L54-F73 HydrophobicContact CD2-CZ 3.9Å; L54-F73 HydrophobicContact CG-CD1 4.41Å; L54-F73 HydrophobicContact CG-CE1 4.44Å; L58-F73 HydrophobicContact CD1-CE1 4.41Å; L58-F73 HydrophobicContact CD1-CZ 4.24Å; L58-F73 HydrophobicContact CD2-CZ 4.08Å; L58-F73 HydrophobicContact CG-CZ 4.23Å; I69-F73 HydrophobicContact CD1-CE2 4.48Å; I69-F73 HydrophobicContact CG1-CD2 4.02Å; I69-F73 HydrophobicContact CG1-CE2 3.69Å; I69-F73 VanDerWaalsContact O-CD2 3.23Å; I69-F73 WeakPolarHBondContact O-CD2 3.46Å; I69-F73 PolarHBondContact O-N 2.8Å; H70-F73 WeakPolarHBondContact O-CB 3.38Å; H70-F73 PolarHBondContact O-N 3.49Å; F73-R77 VanDerWaalsContact O-CZ 3.24Å; F73-R77 PolarHBondContact O-NH1 3.44Å; F73-Y169 HydrophobicContact CE2-CE2 4.5Å; F73-Y169 HydrophobicContact CZ-CE2 4.48Å
74S96.4Very high85.7Confident3 Ų351.6 Ų51.62%0.02127%0.272CS..Hα-helixtrans-68.8-46.9174.6-174.10000111.6H70 L71 L72 D76 R77 W78 P138 D139H70-S74 PolarHBondContact O-N 3.06Å; H70-S74 VanDerWaalsContact O-N 3.08Å; L71-S74 PolarHBondContact O-N 3.13Å; L72-S74 VanDerWaalsContact C-N 3.29Å; L72-S74 PolarHBondContact O-N 2.71Å; S74-D76 PolarHBondContact O-N 2.9Å; S74-D76 VanDerWaalsContact O-N 3.16Å; S74-R77 VanDerWaalsContact CA-NH2 3.35Å; S74-R77 WeakPolarHBondContact O-CB 3.48Å; S74-R77 PolarHBondContact O-N 2.91Å; S74-W78 PolarHBondContact O-N 2.58Å; S74-P138 VanDerWaalsContact OG-C 3.25Å; S74-P138 VanDerWaalsContact OG-CB 3.24Å; S74-P138 WeakPolarHBondContact OG-CB 3.47Å; S74-P138 PolarHBondContact OG-O 3.21Å; S74-D139 WeakPolarHBondContact CB-OD1 3.44Å; S74-D139 PolarHBondContact OG-OD1 3.48Å
75A95Very high83.6Confident33 Ų3354.1 Ų54.127%0.27328%0.279SS..Hα-helixtrans-55.2-35.4177.200000112.2T50 L71 L72 R77 W78 S79T50-A75 HydrophobicContact CG2-CB 4.3Å; L71-A75 VanDerWaalsContact O-CB 3.32Å; L71-A75 WeakPolarHBondContact O-CB 3.5Å; L71-A75 PolarHBondContact O-N 3.23Å; L72-A75 PolarHBondContact O-N 3.03Å; A75-R77 VanDerWaalsContact C-N 3.33Å; A75-R77 PolarHBondContact O-N 3.43Å; A75-W78 PolarHBondContact O-N 3.24Å; A75-W78 VanDerWaalsContact O-N 3.16Å; A75-S79 WeakPolarHBondContact O-CB 2.82Å; A75-S79 PolarHBondContact O-N 3.49Å; A75-S79 PolarHBondContact O-OG 2.75Å
76D93.4Very high81.4Confident5 Ų556.5 Ų56.53%0.02729%0.292CS..Hα-helixtrans-60.9-37175.3-170.763.6000113P44 T45 T50 L54 L72 S74 W78P44-D76 WeakPolarHBondContact CA-OD2 3.4Å; T45-D76 PolarHBondContact N-OD2 3.01Å; T45-D76 PolarHBondContact OG1-OD1 2.96Å; T50-D76 HydrophobicContact CG2-CB 3.92Å; L54-D76 HydrophobicContact CD1-CB 3.69Å; L72-D76 PolarHBondContact O-N 3.19Å; S74-D76 PolarHBondContact O-N 2.9Å; S74-D76 VanDerWaalsContact O-N 3.16Å; D76-W78 VanDerWaalsContact C-N 3.35Å
77R93.7Very high79.4Confident4 Ų457.1 Ų57.12%0.01531%0.311CS..Hα-helixtrans-72.9-27.4174.6-69.9-179.5-73.4-80.37.4113.2Y43 F73 S74 A75 C98 R99 Y117 D139 L142Y43-R77 HydrophobicContact CD1-CG 3.58Å; Y43-R77 HydrophobicContact CE1-CB 4.24Å; Y43-R77 HydrophobicContact CE1-CG 3.72Å; Y43-R77 HydrophobicContact CG-CG 4.04Å; F73-R77 VanDerWaalsContact O-CZ 3.24Å; F73-R77 PolarHBondContact O-NH1 3.44Å; S74-R77 VanDerWaalsContact CA-NH2 3.35Å; S74-R77 WeakPolarHBondContact O-CB 3.48Å; S74-R77 PolarHBondContact O-N 2.91Å; A75-R77 VanDerWaalsContact C-N 3.33Å; A75-R77 PolarHBondContact O-N 3.43Å; R77-C98 WeakPolarHBondContact O-CA 3.5Å; R77-R99 PolarHBondContact O-N 2.98Å; R77-Y117 HydrophobicContact CG-CE2 4.45Å; R77-D139 IonicContact CZ-OD1 3.35Å; R77-D139 VanDerWaalsContact CZ-OD1 3.32Å; R77-D139 IonicContact CZ-OD2 3.49Å; R77-D139 IonicContact NE-OD1 3.79Å; R77-D139 PolarHBondContact NE-OD1 3.34Å; R77-D139 IonicContact NE-OD2 3.27Å; R77-D139 IonicContact NH2-OD1 2.93Å; R77-D139 PolarHBondContact NH2-OD1 3.26Å; R77-D139 IonicContact NH2-OD2 3.57Å; R77-D139 PolarHBondContact NH2-OD2 2.84Å; R77-L142 HydrophobicContact CB-CD1 3.8Å; R77-L142 HydrophobicContact CB-CD2 4.27Å; R77-L142 HydrophobicContact CG-CD1 4.42Å
78W91.7Very high77.1Confident85 Ų8560.7 Ų60.732%0.32233%0.326SS..Hα-helixtrans-83.9-31.9177.2-73.7105.8000113S74 A75 D76 R99 P138 K140 L142S74-W78 PolarHBondContact O-N 2.58Å; A75-W78 PolarHBondContact O-N 3.24Å; A75-W78 VanDerWaalsContact O-N 3.16Å; D76-W78 VanDerWaalsContact C-N 3.35Å; W78-R99 HydrophobicContact CE3-CB 4.19Å; W78-R99 HydrophobicContact CZ3-CB 4.29Å; W78-R99 HydrophobicContact CZ3-CG 4.37Å; W78-P138 PolarHBondContact NE1-O 2.89Å; W78-K140 WeakPolarHBondContact CZ2-O 3.25Å; W78-L142 HydrophobicContact CD2-CD2 3.64Å; W78-L142 HydrophobicContact CD2-CG 4.43Å; W78-L142 HydrophobicContact CE3-CD2 4.04Å; W78-L142 HydrophobicContact CG-CD2 4.13Å; W78-L142 HydrophobicContact CH2-CD2 4.2Å; W78-L142 HydrophobicContact CH2-CG 4.48Å; W78-L142 HydrophobicContact CZ2-CD2 3.79Å; W78-L142 HydrophobicContact CZ2-CG 3.8Å; W78-L142 HydrophobicContact CZ3-CD2 4.34Å
79S82.4Confident74.9Confident46 Ų4665.7 Ų65.732%0.32234%0.34SS..PPolyproline II helixtrans-82.2129.7-166.8-62.10000112.4A75 T96 C98A75-S79 WeakPolarHBondContact O-CB 2.82Å; A75-S79 PolarHBondContact O-N 3.49Å; A75-S79 PolarHBondContact O-OG 2.75Å; S79-T96 PolarHBondContact O-OG1 3.35Å; S79-C98 WeakPolarHBondContact O-CB 3.45Å
80T64.2Low72.6Confident40 Ų4067 Ų6725%0.24535%0.348CS..PPolyproline II helixtrans-76.1120.7160.1-46.60000107.7Y82 V93 T96 C98T80-Y82 HydrophobicContact CG2-CE1 4.06Å; T80-Y82 HydrophobicContact CG2-CE2 4.43Å; T80-V93 HydrophobicContact CG2-CG1 3.85Å; T80-T96 WeakPolarHBondContact CA-OG1 3.28Å; T80-C98 PolarHBondContact OG1-SG 2.84Å
81A56.3Low70.2Confident20 Ų2075 Ų7517%0.16539%0.391CS..PPolyproline II helixtrans-82129.4160.800000108.5T96A81-T96 HydrophobicContact CB-CG2 3.22Å; A81-T96 PolarHBondContact N-OG1 3.12Å
82Y52.5Low67.5Low128 Ų12875 Ų7550%0.50240%0.397SS..PPolyproline II helixtrans-93.1134.1161.6-58.9-76.7000106.8T80 V93T80-Y82 HydrophobicContact CG2-CE1 4.06Å; T80-Y82 HydrophobicContact CG2-CE2 4.43Å; Y82-V93 HydrophobicContact CD1-CG2 4.46Å; Y82-V93 HydrophobicContact CE1-CG2 4.37Å
83E47.2Very low65.1Low94 Ų9474.9 Ų74.944%0.43940%0.399SS..PPolyproline II helixtrans-76.3134.7156.5-79.7-176.4172.300108.4H94E83-H94 HydrophobicContact CG-CB 4.24Å; E83-H94 IonicContact OE1-CE1 2.64Å; E83-H94 IonicContact OE1-CG 2.83Å; E83-H94 IonicContact OE1-ND1 3.85Å; E83-H94 PolarHBondContact OE1-ND1 2.84Å; E83-H94 IonicContact OE2-CE1 3.49Å; E83-H94 PolarHBondContact OE2-CE1 3.17Å; E83-H94 IonicContact OE2-CG 2.85Å; E83-H94 IonicContact OE2-ND1 3.79Å; E83-H94 PolarHBondContact OE2-ND1 2.9Å
84I53.4Low62.9Low122 Ų12279 Ų7963%0.62642%0.418SS*.EExtended strand (participates in β ladder)trans-105113166.9-61.1175.7000105.1
85E49.9Very low61Low119 Ų11981.6 Ų81.656%0.55643%0.432SS*.EExtended strand (participates in β ladder)trans-108.7125.7172.7-161.7-177.2176.400108.2G87 F88 T90E85-G87 PolarHBondContact O-N 2.9Å; E85-G87 VanDerWaalsContact O-N 3.11Å; E85-F88 PolarHBondContact N-O 3.43Å; E85-F88 PolarHBondContact O-N 2.8Å; E85-F88 VanDerWaalsContact O-O 3.09Å; E85-T90 HydrophobicContact CB-CG2 3.43Å; E85-T90 VanDerWaalsContact CB-CG2 3.43Å
86N51.3Low59.6Low146 Ų14680.6 Ų80.678%0.78142%0.422SS*.THydrogen-bonded Turntrans54.131179.9-59.7-52.9000115F88N86-F88 WeakPolarHBondContact O-CD2 3.47Å; N86-F88 PolarHBondContact O-N 2.81Å
87G56.1Low58.7Low66 Ų6680.4 Ų80.468%0.6842%0.421SS*.THydrogen-bonded Turntrans79.11.2-179.200000114.6E85E85-G87 PolarHBondContact O-N 2.9Å; E85-G87 VanDerWaalsContact O-N 3.11Å
88F50.1Low58.3Low161 Ų16180.3 Ų80.371%0.70642%0.421SS*.EExtended strand (participates in β ladder)trans-105.7137.5172.4-68.1-84.8000109.8E85 N86 T90E85-F88 PolarHBondContact N-O 3.43Å; E85-F88 PolarHBondContact O-N 2.8Å; E85-F88 VanDerWaalsContact O-O 3.09Å; N86-F88 WeakPolarHBondContact O-CD2 3.47Å; N86-F88 PolarHBondContact O-N 2.81Å; F88-T90 PolarHBondContact O-N 2.88Å; F88-T90 VanDerWaalsContact O-N 3.17Å
89K51.1Low58.2Low144 Ų14480.4 Ų80.463%0.62642%0.421SS*.EExtended strand (participates in β ladder)trans-60.3119.4162.3-71.3-177.3177.8-176.30106.1
90T48.9Very low58.5Low29 Ų2984.2 Ų84.218%0.17843%0.434CS..  trans-73.4139.8170.9560000107.7E85 F88 C92E85-T90 HydrophobicContact CB-CG2 3.43Å; E85-T90 VanDerWaalsContact CB-CG2 3.43Å; F88-T90 PolarHBondContact O-N 2.88Å; F88-T90 VanDerWaalsContact O-N 3.17Å; T90-C92 CarbonylContact O-C 3.48Å; T90-C92 PolarHBondContact O-N 3.38Å; T90-C92 VanDerWaalsContact O-N 3.09Å; T90-C92 PolarHBondContact OG1-O 3.49Å
91D49.1Very low59.7Low168 Ų16882.6 Ų82.690%0.89842%0.424SS*.SBendtrans-62.2-12.6170.3-68.7-34.5000111.4V93D91-V93 VanDerWaalsContact C-N 3.25Å; D91-V93 PolarHBondContact O-N 3.16Å
92C40.6Very low61.4Low84 Ų8481.6 Ų81.657%0.56842%0.416SS*.  trans-72.178.2163.3-54.60000109.7T90 H94T90-C92 CarbonylContact O-C 3.48Å; T90-C92 PolarHBondContact O-N 3.38Å; T90-C92 VanDerWaalsContact O-N 3.09Å; T90-C92 PolarHBondContact OG1-O 3.49Å; C92-H94 VanDerWaalsContact C-N 3.33Å; C92-H94 PolarHBondContact O-N 3.3Å
93V47.7Very low63.3Low56 Ų5679.2 Ų79.234%0.33941%0.409SS..  trans-54.4106.8155.6-178.70000105.3T80 Y82 D91 L95T80-V93 HydrophobicContact CG2-CG1 3.85Å; Y82-V93 HydrophobicContact CD1-CG2 4.46Å; Y82-V93 HydrophobicContact CE1-CG2 4.37Å; D91-V93 VanDerWaalsContact C-N 3.25Å; D91-V93 PolarHBondContact O-N 3.16Å; V93-L95 HydrophobicContact CB-CD2 4.24Å; V93-L95 HydrophobicContact CG1-CD2 3.9Å; V93-L95 WeakPolarHBondContact O-CG 3.41Å; V93-L95 PolarHBondContact O-N 3Å
94H50.6Low65.5Low106 Ų10680.9 Ų80.949%0.49142%0.417SS..  trans-69.775.9161.1-99.3106.9000106.6E83 C92 T96E83-H94 HydrophobicContact CG-CB 4.24Å; E83-H94 IonicContact OE1-CE1 2.64Å; E83-H94 IonicContact OE1-CG 2.83Å; E83-H94 IonicContact OE1-ND1 3.85Å; E83-H94 PolarHBondContact OE1-ND1 2.84Å; E83-H94 IonicContact OE2-CE1 3.49Å; E83-H94 PolarHBondContact OE2-CE1 3.17Å; E83-H94 IonicContact OE2-CG 2.85Å; E83-H94 IonicContact OE2-ND1 3.79Å; E83-H94 PolarHBondContact OE2-ND1 2.9Å; C92-H94 VanDerWaalsContact C-N 3.33Å; C92-H94 PolarHBondContact O-N 3.3Å; H94-T96 WeakPolarHBondContact O-CG2 3.22Å; H94-T96 PolarHBondContact O-N 3.41Å
95L56Low67.4Low58 Ų5876.4 Ų76.430%0.30439%0.394SS..  trans-16.289.7161.2-78.9-166.8000112V93 G97 E101V93-L95 HydrophobicContact CB-CD2 4.24Å; V93-L95 HydrophobicContact CG1-CD2 3.9Å; V93-L95 WeakPolarHBondContact O-CG 3.41Å; V93-L95 PolarHBondContact O-N 3Å; L95-G97 PolarHBondContact O-N 3.33Å; L95-E101 VanDerWaalsContact CA-CD 3.45Å; L95-E101 WeakPolarHBondContact CA-OE1 3.5Å; L95-E101 WeakPolarHBondContact CA-OE2 3.32Å; L95-E101 WeakPolarHBondContact CB-OE1 3.42Å; L95-E101 VanDerWaalsContact CD1-OE1 3.25Å; L95-E101 WeakPolarHBondContact CD1-OE1 3.39Å; L95-E101 HydrophobicContact CD2-CG 3.49Å; L95-E101 VanDerWaalsContact CD2-CG 3.49Å; L95-E101 WeakPolarHBondContact CD2-OE1 3.03Å; L95-E101 HydrophobicContact CG-CG 4.33Å; L95-E101 WeakPolarHBondContact CG-OE1 3.38Å
96T66.3Low69.5Low12 Ų1271.7 Ų71.77%0.07437%0.372CS..  trans-84.53.2-177.551.90000113.4S79 T80 A81 H94 C98 E101S79-T96 PolarHBondContact O-OG1 3.35Å; T80-T96 WeakPolarHBondContact CA-OG1 3.28Å; A81-T96 HydrophobicContact CB-CG2 3.22Å; A81-T96 PolarHBondContact N-OG1 3.12Å; H94-T96 WeakPolarHBondContact O-CG2 3.22Å; H94-T96 PolarHBondContact O-N 3.41Å; T96-C98 VanDerWaalsContact C-N 3.29Å; T96-E101 PolarHBondContact N-OE2 3.42Å
97G74.1Confident71.6Confident0 Ų071.8 Ų71.80%037%0.366CS..  trans78.414.5-17700000113.5F41 Y43 L95 E101 I102F41-G97 VanDerWaalsContact CD1-N 3.32Å; F41-G97 VanDerWaalsContact CE1-N 3.26Å; Y43-G97 WeakPolarHBondContact OH-CA 3.25Å; Y43-G97 PolarHBondContact OH-O 3.32Å; L95-G97 PolarHBondContact O-N 3.33Å; G97-E101 WeakPolarHBondContact CA-OE2 3.49Å; G97-E101 PolarHBondContact N-OE2 2.96Å; G97-I102 WeakPolarHBondContact O-CD1 3.42Å; G97-I102 VanDerWaalsContact O-CG1 3.25Å; G97-I102 WeakPolarHBondContact O-CG1 3.3Å
98C85.7Confident73.4Confident3 Ų372.4 Ų72.42%0.0236%0.364CS..  trans-52.7157.3177.7730000111.8R77 S79 T80 T96 Q100 E101 I102R77-C98 WeakPolarHBondContact O-CA 3.5Å; S79-C98 WeakPolarHBondContact O-CB 3.45Å; T80-C98 PolarHBondContact OG1-SG 2.84Å; T96-C98 VanDerWaalsContact C-N 3.29Å; C98-Q100 VanDerWaalsContact C-N 3.28Å; C98-Q100 PolarHBondContact O-N 3.46Å; C98-Q100 VanDerWaalsContact O-N 3.11Å; C98-E101 VanDerWaalsContact O-CB 3.32Å; C98-E101 WeakPolarHBondContact O-CB 3.46Å; C98-E101 PolarHBondContact O-N 3.32Å; C98-I102 PolarHBondContact O-N 2.95Å
99R89.6Confident75.5Confident87 Ų8765.7 Ų65.733%0.32834%0.341SS..Hα-helixtrans-41.4-53.3179.3163.3173.8-179.9-165.8-3.6113.9R77 W78 E101 I102 E103 G141 L142 P143R77-R99 PolarHBondContact O-N 2.98Å; W78-R99 HydrophobicContact CE3-CB 4.19Å; W78-R99 HydrophobicContact CZ3-CB 4.29Å; W78-R99 HydrophobicContact CZ3-CG 4.37Å; R99-E101 PolarHBondContact O-N 2.94Å; R99-I102 PolarHBondContact O-N 2.82Å; R99-E103 HydrophobicContact CG-CG 4.46Å; R99-E103 IonicContact CZ-OE1 3.54Å; R99-E103 IonicContact NE-OE1 3.54Å; R99-E103 PolarHBondContact NE-OE1 3.28Å; R99-E103 IonicContact NE-OE2 2.7Å; R99-E103 IonicContact NH2-OE1 3.33Å; R99-E103 PolarHBondContact NH2-OE1 2.92Å; R99-E103 WeakPolarHBondContact O-CG 3.4Å; R99-E103 PolarHBondContact O-N 3.39Å; R99-G141 WeakPolarHBondContact CD-O 3.48Å; R99-G141 VanDerWaalsContact CZ-O 3.26Å; R99-G141 PolarHBondContact NE-O 3.12Å; R99-G141 PolarHBondContact NH1-O 3.37Å; R99-L142 HydrophobicContact CB-CD2 4.07Å; R99-P143 HydrophobicContact CB-CG 4.39Å; R99-P143 HydrophobicContact CG-CG 3.94Å
100Q87.7Confident77.6Confident125 Ų12560.1 Ų60.158%0.58432%0.319SS*.Hα-helixtrans-62.1-36.2-174.3-67-1809.700111.4C98 Q104C98-Q100 VanDerWaalsContact C-N 3.28Å; C98-Q100 PolarHBondContact O-N 3.46Å; C98-Q100 VanDerWaalsContact O-N 3.11Å; Q100-Q104 WeakPolarHBondContact O-CB 3.49Å; Q100-Q104 VanDerWaalsContact O-CG 3.23Å; Q100-Q104 WeakPolarHBondContact O-CG 3.36Å; Q100-Q104 PolarHBondContact O-N 3.15Å
101E89.8Confident79.8Confident6 Ų660.2 Ų60.23%0.02832%0.317CS..Hα-helixtrans-71.1-46.2179.5-169.6-167.6155.200112.1F41 L95 T96 G97 C98 R99 E103 Q104 L105F41-E101 WeakPolarHBondContact CE1-OE1 3.49Å; F41-E101 HydrophobicContact CZ-CG 4.38Å; F41-E101 WeakPolarHBondContact CZ-OE1 3.36Å; L95-E101 VanDerWaalsContact CA-CD 3.45Å; L95-E101 WeakPolarHBondContact CA-OE1 3.5Å; L95-E101 WeakPolarHBondContact CA-OE2 3.32Å; L95-E101 WeakPolarHBondContact CB-OE1 3.42Å; L95-E101 VanDerWaalsContact CD1-OE1 3.25Å; L95-E101 WeakPolarHBondContact CD1-OE1 3.39Å; L95-E101 HydrophobicContact CD2-CG 3.49Å; L95-E101 VanDerWaalsContact CD2-CG 3.49Å; L95-E101 WeakPolarHBondContact CD2-OE1 3.03Å; L95-E101 HydrophobicContact CG-CG 4.33Å; L95-E101 WeakPolarHBondContact CG-OE1 3.38Å; T96-E101 PolarHBondContact N-OE2 3.42Å; G97-E101 WeakPolarHBondContact CA-OE2 3.49Å; G97-E101 PolarHBondContact N-OE2 2.96Å; C98-E101 VanDerWaalsContact O-CB 3.32Å; C98-E101 WeakPolarHBondContact O-CB 3.46Å; C98-E101 PolarHBondContact O-N 3.32Å; R99-E101 PolarHBondContact O-N 2.94Å; E101-E103 VanDerWaalsContact C-N 3.26Å; E101-E103 PolarHBondContact O-N 2.83Å; E101-Q104 PolarHBondContact O-N 2.93Å; E101-L105 HydrophobicContact CG-CD1 4.04Å; E101-L105 HydrophobicContact CG-CG 4.46Å; E101-L105 WeakPolarHBondContact O-CB 3.42Å; E101-L105 WeakPolarHBondContact O-CG 3.3Å; E101-L105 PolarHBondContact O-N 3.09Å
102I92.5Very high82.1Confident0 Ų052.2 Ų52.20%027%0.274CS..Hα-helixtrans-56-46.9174.3-69.4174.5000109.4F9 F41 G97 C98 R99 Q104 L105 L106 V112 Y117 P143F9-I102 HydrophobicContact CD1-CG2 4Å; F9-I102 HydrophobicContact CE1-CD1 4.24Å; F9-I102 HydrophobicContact CE1-CG2 4.04Å; F9-I102 HydrophobicContact CG-CG2 4.44Å; F9-I102 HydrophobicContact CZ-CD1 3.97Å; F41-I102 HydrophobicContact CD2-CD1 4.45Å; F41-I102 HydrophobicContact CD2-CG1 4.1Å; F41-I102 HydrophobicContact CE2-CG1 3.87Å; G97-I102 WeakPolarHBondContact O-CD1 3.42Å; G97-I102 VanDerWaalsContact O-CG1 3.25Å; G97-I102 WeakPolarHBondContact O-CG1 3.3Å; C98-I102 PolarHBondContact O-N 2.95Å; R99-I102 PolarHBondContact O-N 2.82Å; I102-Q104 PolarHBondContact O-N 2.74Å; I102-L105 PolarHBondContact O-N 2.81Å; I102-L106 HydrophobicContact CG2-CD1 3.63Å; I102-L106 HydrophobicContact CG2-CG 4.24Å; I102-L106 WeakPolarHBondContact O-CB 3.4Å; I102-L106 WeakPolarHBondContact O-CG 3.46Å; I102-L106 PolarHBondContact O-N 3.32Å; I102-V112 HydrophobicContact CG1-CG1 4.34Å; I102-Y117 HydrophobicContact CD1-CE2 4.11Å; I102-P143 HydrophobicContact CB-CG 4.28Å; I102-P143 HydrophobicContact CG2-CB 3.9Å; I102-P143 HydrophobicContact CG2-CG 4.04Å
103E92.5Very high84.7Confident78 Ų7848.3 Ų48.336%0.36425%0.248SC..Hα-helixtrans-59-44.8177.7-71.3171.7169.100112.1R99 E101 K107 P143R99-E103 HydrophobicContact CG-CG 4.46Å; R99-E103 IonicContact CZ-OE1 3.54Å; R99-E103 IonicContact NE-OE1 3.54Å; R99-E103 PolarHBondContact NE-OE1 3.28Å; R99-E103 IonicContact NE-OE2 2.7Å; R99-E103 IonicContact NH2-OE1 3.33Å; R99-E103 PolarHBondContact NH2-OE1 2.92Å; R99-E103 WeakPolarHBondContact O-CG 3.4Å; R99-E103 PolarHBondContact O-N 3.39Å; E101-E103 VanDerWaalsContact C-N 3.26Å; E101-E103 PolarHBondContact O-N 2.83Å; E103-K107 VanDerWaalsContact O-CB 3.3Å; E103-K107 WeakPolarHBondContact O-CB 3.44Å; E103-K107 PolarHBondContact O-N 2.88Å; E103-P143 HydrophobicContact CG-CG 3.78Å
104Q92.3Very high87Confident128 Ų12845.6 Ų45.660%0.59823%0.232SC*.Hα-helixtrans-65.3-45.2178.9-74.9171.48.300112.7Q100 E101 I102 K107 A108Q100-Q104 WeakPolarHBondContact O-CB 3.49Å; Q100-Q104 VanDerWaalsContact O-CG 3.23Å; Q100-Q104 WeakPolarHBondContact O-CG 3.36Å; Q100-Q104 PolarHBondContact O-N 3.15Å; E101-Q104 PolarHBondContact O-N 2.93Å; I102-Q104 PolarHBondContact O-N 2.74Å; Q104-K107 PolarHBondContact O-N 3.05Å; Q104-A108 WeakPolarHBondContact O-CB 3.39Å; Q104-A108 PolarHBondContact O-N 3.3Å
105L92.7Very high89.1Confident29 Ų2940.8 Ų40.815%0.15221%0.209CC..Hα-helixtrans-62.2-47.1178.5-73.5168.4000111.4R39 F41 E101 I102 K107 A108 G109 T110 V112R39-L105 HydrophobicContact CB-CD1 3.84Å; R39-L105 HydrophobicContact CG-CD1 3.81Å; F41-L105 HydrophobicContact CE2-CD1 3.82Å; F41-L105 HydrophobicContact CZ-CD1 3.5Å; F41-L105 VanDerWaalsContact CZ-CD1 3.5Å; E101-L105 HydrophobicContact CG-CD1 4.04Å; E101-L105 HydrophobicContact CG-CG 4.46Å; E101-L105 WeakPolarHBondContact O-CB 3.42Å; E101-L105 WeakPolarHBondContact O-CG 3.3Å; E101-L105 PolarHBondContact O-N 3.09Å; I102-L105 PolarHBondContact O-N 2.81Å; L105-K107 PolarHBondContact O-N 3.19Å; L105-A108 CarbonylContact O-C 3.59Å; L105-A108 PolarHBondContact O-N 2.81Å; L105-A108 VanDerWaalsContact O-N 3.17Å; L105-G109 PolarHBondContact O-N 3.48Å; L105-T110 CarbonylContact C-O 3.53Å; L105-T110 HydrophobicContact CD2-CG2 4.04Å; L105-T110 WeakPolarHBondContact O-CA 3.39Å; L105-T110 WeakPolarHBondContact O-CB 3.36Å; L105-T110 PolarHBondContact O-N 3.17Å; L105-V112 HydrophobicContact CB-CG2 4.02Å; L105-V112 HydrophobicContact CD1-CG2 4.27Å
106L95Very high91Very high19 Ų1940 Ų4010%0.09920%0.202CC..Hα-helixtrans-61.3-46.1177.5-66.1171.3000110.3R6 G7 F9 I102 A108 G109 V112R6-L106 CarbonylContact C-O 3.45Å; R6-L106 WeakPolarHBondContact CA-O 3.33Å; R6-L106 WeakPolarHBondContact CB-O 3.49Å; G7-L106 PolarHBondContact N-O 2.65Å; G7-L106 WeakPolarHBondContact O-CD2 3.18Å; F9-L106 HydrophobicContact CB-CD1 3.93Å; F9-L106 HydrophobicContact CB-CD2 3.9Å; F9-L106 HydrophobicContact CG-CD1 4.47Å; I102-L106 HydrophobicContact CG2-CD1 3.63Å; I102-L106 HydrophobicContact CG2-CG 4.24Å; I102-L106 WeakPolarHBondContact O-CB 3.4Å; I102-L106 WeakPolarHBondContact O-CG 3.46Å; I102-L106 PolarHBondContact O-N 3.32Å; L106-A108 PolarHBondContact O-N 3.33Å; L106-G109 PolarHBondContact O-N 3.07Å; L106-V112 HydrophobicContact CD2-CB 4.24Å; L106-V112 HydrophobicContact CD2-CG2 3.9Å; L106-V112 HydrophobicContact CG-CG2 4.1Å
107K94.4Very high92.4Very high149 Ų14939.7 Ų39.765%0.64820%0.2SC*.Hα-helixtrans-60.5-33.1176.9-170.1177.8-177.7178.30112.9E103 Q104 L105 G109E103-K107 VanDerWaalsContact O-CB 3.3Å; E103-K107 WeakPolarHBondContact O-CB 3.44Å; E103-K107 PolarHBondContact O-N 2.88Å; Q104-K107 PolarHBondContact O-N 3.05Å; L105-K107 PolarHBondContact O-N 3.19Å; K107-G109 PolarHBondContact O-N 2.87Å
108A93.8Very high93.5Very high78 Ų7840.2 Ų40.265%0.64520%0.204SC*.THydrogen-bonded Turntrans-78.43.6176.100000114.2Q104 L105 L106 T110Q104-A108 WeakPolarHBondContact O-CB 3.39Å; Q104-A108 PolarHBondContact O-N 3.3Å; L105-A108 CarbonylContact O-C 3.59Å; L105-A108 PolarHBondContact O-N 2.81Å; L105-A108 VanDerWaalsContact O-N 3.17Å; L106-A108 PolarHBondContact O-N 3.33Å; A108-T110 VanDerWaalsContact C-N 3.32Å
109G95.1Very high94Very high21 Ų2141.5 Ų41.522%0.21621%0.209CC..THydrogen-bonded Turntrans827-178.500000114.6G5 L105 L106 K107G5-G109 WeakPolarHBondContact O-CA 3.27Å; L105-G109 PolarHBondContact O-N 3.48Å; L106-G109 PolarHBondContact O-N 3.07Å; K107-G109 PolarHBondContact O-N 2.87Å
110T94.8Very high94.4Very high27 Ų2737.9 Ų37.917%0.16620%0.197CC..  trans-86125178.4-59.50000110.1P37 R39 L105 A108P37-T110 HydrophobicContact CB-CG2 4.14Å; R39-T110 HydrophobicContact CB-CG2 4.26Å; L105-T110 CarbonylContact C-O 3.53Å; L105-T110 HydrophobicContact CD2-CG2 4.04Å; L105-T110 WeakPolarHBondContact O-CA 3.39Å; L105-T110 WeakPolarHBondContact O-CB 3.36Å; L105-T110 PolarHBondContact O-N 3.17Å; A108-T110 VanDerWaalsContact C-N 3.32Å
111H95.8Very high94.8Very high30 Ų3032.2 Ų32.214%0.13917%0.172CC..EExtended strand (participates in β ladder)trans-67.9147.2174-61.3-15.9000110.6G7 I8 T36 P37 V38 R39G7-H111 WeakPolarHBondContact CA-ND1 3.3Å; I8-H111 PolarHBondContact N-ND1 2.63Å; I8-H111 WeakPolarHBondContact O-CA 3.44Å; T36-H111 WeakPolarHBondContact CG2-CD2 3.41Å; T36-H111 VanDerWaalsContact CG2-NE2 3.32Å; T36-H111 WeakPolarHBondContact CG2-NE2 3.48Å; P37-H111 PolarHBondContact O-N 2.94Å; V38-H111 CarbonylContact C-O 3.57Å; V38-H111 VanDerWaalsContact CA-O 3.31Å; V38-H111 WeakPolarHBondContact CA-O 3.33Å; V38-H111 HydrophobicContact CB-CB 4.43Å; V38-H111 HydrophobicContact CG2-CB 4.36Å; R39-H111 PolarHBondContact N-O 3.43Å
112V96Very high95.2Very high0 Ų032.6 Ų32.60%017%0.174CC..EExtended strand (participates in β ladder)trans-119.5128.2177.8176.80000108.6I8 F9 V10 R39 F41 I102 L105 L106I8-V112 PolarHBondContact O-N 3.29Å; F9-V112 WeakPolarHBondContact CA-O 3.2Å; F9-V112 HydrophobicContact CD2-CB 3.79Å; F9-V112 HydrophobicContact CD2-CG1 3.62Å; F9-V112 HydrophobicContact CE2-CB 4.39Å; F9-V112 HydrophobicContact CE2-CG1 3.71Å; F9-V112 HydrophobicContact CG-CB 4.39Å; V10-V112 PolarHBondContact N-O 3.4Å; R39-V112 CarbonylContact O-C 3.55Å; R39-V112 WeakPolarHBondContact O-CA 3.11Å; F41-V112 HydrophobicContact CD2-CG1 3.55Å; F41-V112 HydrophobicContact CE2-CG1 3.65Å; F41-V112 HydrophobicContact CE2-CG2 4.35Å; I102-V112 HydrophobicContact CG1-CG1 4.34Å; L105-V112 HydrophobicContact CB-CG2 4.02Å; L105-V112 HydrophobicContact CD1-CG2 4.27Å; L106-V112 HydrophobicContact CD2-CB 4.24Å; L106-V112 HydrophobicContact CD2-CG2 3.9Å; L106-V112 HydrophobicContact CG-CG2 4.1Å
113L96Very high95.4Very high2 Ų232.6 Ų32.61%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-109.7129.6168.6-52.7179.6000108.8V10 V24 L27 R28 L31 V38 R39 V40 F41V10-L113 HydrophobicContact CB-CD2 3.85Å; V10-L113 HydrophobicContact CG2-CD2 4.23Å; V10-L113 CarbonylContact O-C 3.57Å; V10-L113 VanDerWaalsContact O-CA 3.32Å; V10-L113 WeakPolarHBondContact O-CA 3.42Å; V24-L113 HydrophobicContact CG1-CB 4.22Å; V24-L113 HydrophobicContact CG1-CD1 4.42Å; L27-L113 HydrophobicContact CB-CD1 3.97Å; L27-L113 HydrophobicContact CD2-CD1 3.96Å; L27-L113 HydrophobicContact CD2-CD2 3.49Å; L27-L113 VanDerWaalsContact CD2-CD2 3.49Å; L27-L113 HydrophobicContact CD2-CG 4.37Å; L27-L113 HydrophobicContact CG-CD1 3.68Å; L27-L113 HydrophobicContact CG-CD2 3.99Å; R28-L113 HydrophobicContact CB-CD1 4.23Å; L31-L113 HydrophobicContact CD1-CD1 4.37Å; L31-L113 HydrophobicContact CD1-CD2 4.48Å; V38-L113 HydrophobicContact CG2-CD1 3.86Å; V38-L113 HydrophobicContact CG2-CG 3.74Å; R39-L113 PolarHBondContact O-N 2.93Å; V40-L113 CarbonylContact C-O 3.52Å; V40-L113 WeakPolarHBondContact CA-O 3.26Å; V40-L113 HydrophobicContact CG2-CB 4.21Å; V40-L113 HydrophobicContact CG2-CD1 4.21Å; F41-L113 PolarHBondContact N-O 2.65Å
114A95.5Very high95.7Very high0 Ų029.4 Ų29.40%016%0.159CC..EExtended strand (participates in β ladder)trans-114.8123.7173.100000111.2F9 V10 A11 L12 F41 Y43 R116 Y117F9-A114 HydrophobicContact CE2-CB 3.73Å; F9-A114 HydrophobicContact CZ-CB 4.23Å; V10-A114 PolarHBondContact O-N 2.88Å; A11-A114 HydrophobicContact CB-CB 4.43Å; L12-A114 PolarHBondContact N-O 3.45Å; F41-A114 CarbonylContact O-C 3.47Å; F41-A114 WeakPolarHBondContact O-CA 3.35Å; Y43-A114 HydrophobicContact CE2-CB 4.4Å; A114-R116 WeakPolarHBondContact CB-O 3.24Å; A114-R116 PolarHBondContact O-N 2.89Å; A114-Y117 HydrophobicContact CB-CD2 4.41Å
115D95.2Very high96Very high4 Ų423.5 Ų23.52%0.02113%0.131CC..EExtended strand (participates in β ladder)trans-82.8100.7165.6-175.90.2000108.3K20 T21 V24 F41 R42 Y43K20-D115 WeakPolarHBondContact CB-OD1 3.2Å; T21-D115 WeakPolarHBondContact CA-OD2 3.3Å; T21-D115 PolarHBondContact OG1-OD2 2.84Å; V24-D115 HydrophobicContact CG2-CB 4Å; F41-D115 PolarHBondContact O-N 3.31Å; R42-D115 WeakPolarHBondContact CA-O 3.32Å; R42-D115 HydrophobicContact CB-CB 4.12Å; R42-D115 HydrophobicContact CG-CB 4.2Å; R42-D115 IonicContact CZ-OD2 2.71Å; R42-D115 IonicContact NE-OD2 3.49Å; R42-D115 PolarHBondContact NE-OD2 2.95Å; R42-D115 IonicContact NH2-OD2 3.8Å; R42-D115 PolarHBondContact NH2-OD2 3.19Å; Y43-D115 PolarHBondContact N-O 3.27Å
116R96Very high96.2Very high42 Ų4222.6 Ų22.616%0.15813%0.128CC..SBendtrans65.5160.2-163.6-52.5179.2-173.6-937.8113.6L12 G14 D16 K20 Y43 A114 S120 Y124L12-R116 WeakPolarHBondContact O-CA 3.41Å; L12-R116 PolarHBondContact O-N 3.39Å; G14-R116 PolarHBondContact O-NH1 3.08Å; D16-R116 IonicContact OD1-CZ 2.7Å; D16-R116 IonicContact OD1-NH1 2.66Å; D16-R116 IonicContact OD1-NH2 3Å; D16-R116 PolarHBondContact OD1-NH2 3.36Å; K20-R116 HydrophobicContact CD-CG 3.99Å; Y43-R116 VanDerWaalsContact CD2-O 3.3Å; Y43-R116 WeakPolarHBondContact CD2-O 3.18Å; Y43-R116 WeakPolarHBondContact O-CD 3.03Å; A114-R116 WeakPolarHBondContact CB-O 3.24Å; A114-R116 PolarHBondContact O-N 2.89Å; R116-S120 PolarHBondContact NH1-OG 2.98Å; R116-Y124 PolarHBondContact NH1-OH 3.03Å
117Y96.6Very high96.3Very high5 Ų522.1 Ų22.12%0.0213%0.127CC..  trans-154.8-149.8173.1-157.6-126.9000111F9 E13 Y43 R77 I102 A114 Y119 S120 G121 L142 P143 P145F9-Y117 AromaticContact CE1-CE1 3.94Å; F9-Y117 HydrophobicContact CE1-CE1 3.94Å; F9-Y117 HydrophobicContact CE1-CE2 4.47Å; F9-Y117 AromaticContact CE1-CZ 3.91Å; F9-Y117 HydrophobicContact CZ-CD1 4.26Å; F9-Y117 HydrophobicContact CZ-CD2 4.18Å; F9-Y117 AromaticContact CZ-CE1 4Å; F9-Y117 HydrophobicContact CZ-CE1 4Å; F9-Y117 AromaticContact CZ-CE2 3.93Å; F9-Y117 HydrophobicContact CZ-CE2 3.93Å; F9-Y117 HydrophobicContact CZ-CG 4.35Å; F9-Y117 AromaticContact CZ-CZ 3.82Å; E13-Y117 PolarHBondContact OE1-N 2.94Å; Y43-Y117 AromaticContact CD2-CD2 3.84Å; Y43-Y117 HydrophobicContact CD2-CD2 3.84Å; Y43-Y117 HydrophobicContact CD2-CE2 4.47Å; Y43-Y117 AromaticContact CE2-CD2 3.62Å; Y43-Y117 HydrophobicContact CE2-CD2 3.62Å; Y43-Y117 AromaticContact CE2-CE2 3.85Å; Y43-Y117 HydrophobicContact CE2-CE2 3.85Å; R77-Y117 HydrophobicContact CG-CE2 4.45Å; I102-Y117 HydrophobicContact CD1-CE2 4.11Å; A114-Y117 HydrophobicContact CB-CD2 4.41Å; Y117-Y119 PolarHBondContact O-N 3.34Å; Y117-S120 PolarHBondContact O-N 2.82Å; Y117-G121 PolarHBondContact O-N 3.12Å; Y117-L142 HydrophobicContact CE1-CB 4.42Å; Y117-P143 WeakPolarHBondContact CE1-O 3.38Å; Y117-P143 PolarHBondContact OH-O 2.93Å; Y117-P145 HydrophobicContact CD1-CG 3.92Å; Y117-P145 HydrophobicContact CE1-CG 4.26Å
118A96.2Very high96.5Very high11 Ų1117.6 Ų17.69%0.09111%0.108CC..Hα-helixtrans-55.3-33.9177.900000113.4S120 G121 I122 D139 L142A118-S120 PolarHBondContact O-N 3.44Å; A118-G121 WeakPolarHBondContact O-CA 3.3Å; A118-G121 PolarHBondContact O-N 3.35Å; A118-I122 WeakPolarHBondContact O-CG1 3.43Å; A118-I122 PolarHBondContact O-N 2.71Å; A118-D139 HydrophobicContact CB-CB 3.88Å; A118-D139 WeakPolarHBondContact CB-OD2 3.48Å; A118-L142 HydrophobicContact CB-CD1 4.38Å
119Y96.9Very high96.6Very high31 Ų3117.2 Ų17.212%0.12211%0.111CC..Hα-helixtrans-63.4-42.2-177.6-48.1-70.1000112.3E13 Y117 G121 I122 A123 P145 V148 V186 W191E13-Y119 HydrophobicContact CG-CD2 3.9Å; E13-Y119 HydrophobicContact CG-CG 4.4Å; E13-Y119 WeakPolarHBondContact OE1-CB 3.29Å; Y117-Y119 PolarHBondContact O-N 3.34Å; Y119-G121 VanDerWaalsContact C-N 3.34Å; Y119-I122 PolarHBondContact O-N 2.85Å; Y119-A123 VanDerWaalsContact O-CB 3.3Å; Y119-A123 WeakPolarHBondContact O-CB 3.49Å; Y119-A123 PolarHBondContact O-N 3.42Å; Y119-P145 HydrophobicContact CE2-CG 4.1Å; Y119-V148 HydrophobicContact CD2-CG1 4.2Å; Y119-V148 HydrophobicContact CD2-CG2 4.28Å; Y119-V148 HydrophobicContact CE2-CB 4.42Å; Y119-V148 HydrophobicContact CE2-CG1 4.12Å; Y119-V148 HydrophobicContact CE2-CG2 3.4Å; Y119-V186 HydrophobicContact CD1-CG1 3.56Å; Y119-V186 HydrophobicContact CG-CG1 4.02Å; Y119-W191 AromaticContact CD1-CZ2 3.69Å; Y119-W191 HydrophobicContact CD1-CZ2 3.69Å; Y119-W191 HydrophobicContact CD2-CZ2 4.13Å; Y119-W191 HydrophobicContact CE1-CZ2 4.1Å; Y119-W191 HydrophobicContact CG-CH2 4.31Å; Y119-W191 AromaticContact CG-CZ2 3.68Å; Y119-W191 HydrophobicContact CG-CZ2 3.68Å
120S97Very high96.8Very high10 Ų1017 Ų177%0.0711%0.105CC..Hα-helixtrans-58.5-43.5168.9-87.70000112E13 R116 Y117 A118 I122 A123 Y124E13-S120 PolarHBondContact OE1-N 3.2Å; E13-S120 WeakPolarHBondContact OE2-CB 3.18Å; E13-S120 PolarHBondContact OE2-OG 3.45Å; R116-S120 PolarHBondContact NH1-OG 2.98Å; Y117-S120 PolarHBondContact O-N 2.82Å; A118-S120 PolarHBondContact O-N 3.44Å; S120-I122 PolarHBondContact O-N 3.23Å; S120-A123 PolarHBondContact O-N 3.41Å; S120-Y124 WeakPolarHBondContact O-CB 3.3Å; S120-Y124 WeakPolarHBondContact O-CD2 3.31Å; S120-Y124 PolarHBondContact O-N 3.07Å; S120-Y124 VanDerWaalsContact O-N 3.07Å
121G96.9Very high96.9Very high6 Ų620.4 Ų20.46%0.06212%0.122CC..Hα-helixtrans-57-47.3177.500000112.8Y117 A118 Y119 S125Y117-G121 PolarHBondContact O-N 3.12Å; A118-G121 WeakPolarHBondContact O-CA 3.3Å; A118-G121 PolarHBondContact O-N 3.35Å; Y119-G121 VanDerWaalsContact C-N 3.34Å; G121-S125 VanDerWaalsContact O-CB 3.3Å; G121-S125 WeakPolarHBondContact O-CB 3.39Å; G121-S125 PolarHBondContact O-N 3.11Å; G121-S125 PolarHBondContact O-OG 3.32Å
122I97.5Very high96.9Very high14 Ų1421.5 Ų21.57%0.07213%0.125CC..Hα-helixtrans-66.4-52.3178.5-63.9159.6000110.7A118 Y119 S120 Y124 S125 A126 Y132 C135 V186A118-I122 WeakPolarHBondContact O-CG1 3.43Å; A118-I122 PolarHBondContact O-N 2.71Å; Y119-I122 PolarHBondContact O-N 2.85Å; S120-I122 PolarHBondContact O-N 3.23Å; I122-Y124 PolarHBondContact O-N 3.02Å; I122-S125 PolarHBondContact O-N 2.56Å; I122-A126 VanDerWaalsContact O-CB 3.31Å; I122-A126 WeakPolarHBondContact O-CB 3.19Å; I122-A126 PolarHBondContact O-N 3.13Å; I122-Y132 HydrophobicContact CG2-CD2 3.86Å; I122-Y132 HydrophobicContact CG2-CE2 3.57Å; I122-C135 HydrophobicContact CG1-CB 4.5Å; I122-C135 HydrophobicContact CG2-CB 4.21Å; I122-V186 HydrophobicContact CG2-CG2 4.12Å
123A97.6Very high96.9Very high0 Ų026.4 Ų26.40%015%0.152CC..Hα-helixtrans-62.4-46.1-172.500000112.6Y119 S120 A127 V178 I181 F182 V186Y119-A123 VanDerWaalsContact O-CB 3.3Å; Y119-A123 WeakPolarHBondContact O-CB 3.49Å; Y119-A123 PolarHBondContact O-N 3.42Å; S120-A123 PolarHBondContact O-N 3.41Å; A123-A127 VanDerWaalsContact O-CB 3.24Å; A123-A127 WeakPolarHBondContact O-CB 3.48Å; A123-A127 PolarHBondContact O-N 3.44Å; A123-V178 HydrophobicContact CB-CG1 4.24Å; A123-I181 HydrophobicContact CB-CB 4.45Å; A123-I181 HydrophobicContact CB-CG2 4.08Å; A123-F182 HydrophobicContact CB-CD1 3.85Å; A123-F182 HydrophobicContact CB-CD2 3.83Å; A123-F182 HydrophobicContact CB-CE1 3.73Å; A123-F182 HydrophobicContact CB-CE2 3.7Å; A123-F182 HydrophobicContact CB-CG 3.92Å; A123-F182 HydrophobicContact CB-CZ 3.66Å; A123-V186 HydrophobicContact CB-CG2 4.3Å
124Y98.1Very high97Very high12 Ų1230.4 Ų30.45%0.04717%0.167CC..Hα-helixtrans-69.3-36.5-178.9-79.2-110.2000112.1D16 R116 S120 I122 Y169 F174 V178 F182D16-Y124 VanDerWaalsContact CG-OH 3.29Å; D16-Y124 PolarHBondContact N-OH 3.37Å; D16-Y124 PolarHBondContact OD1-OH 2.93Å; R116-Y124 PolarHBondContact NH1-OH 3.03Å; S120-Y124 WeakPolarHBondContact O-CB 3.3Å; S120-Y124 WeakPolarHBondContact O-CD2 3.31Å; S120-Y124 PolarHBondContact O-N 3.07Å; S120-Y124 VanDerWaalsContact O-N 3.07Å; I122-Y124 PolarHBondContact O-N 3.02Å; Y124-Y169 AromaticContact CD1-CD2 3.42Å; Y124-Y169 HydrophobicContact CD1-CD2 3.42Å; Y124-Y169 VanDerWaalsContact CD1-CD2 3.42Å; Y124-Y169 AromaticContact CD1-CE2 3.98Å; Y124-Y169 HydrophobicContact CD1-CE2 3.98Å; Y124-Y169 AromaticContact CD1-CG 3.76Å; Y124-Y169 HydrophobicContact CD1-CG 3.76Å; Y124-Y169 AromaticContact CE1-CD2 3.85Å; Y124-Y169 HydrophobicContact CE1-CD2 3.85Å; Y124-Y169 HydrophobicContact CE1-CG 4.11Å; Y124-Y169 HydrophobicContact CG-CD2 4.45Å; Y124-F174 AromaticContact CD1-CE1 3.9Å; Y124-F174 HydrophobicContact CD1-CE1 3.9Å; Y124-F174 HydrophobicContact CE1-CE1 4.49Å; Y124-V178 HydrophobicContact CD1-CG2 4.1Å; Y124-V178 HydrophobicContact CD2-CG1 3.68Å; Y124-V178 HydrophobicContact CD2-CG2 4.45Å; Y124-V178 HydrophobicContact CE1-CG1 4.48Å; Y124-V178 HydrophobicContact CE1-CG2 4.38Å; Y124-V178 HydrophobicContact CE2-CG1 3.57Å; Y124-V178 HydrophobicContact CG-CG1 4.22Å; Y124-V178 HydrophobicContact CG-CG2 4.16Å; Y124-F182 HydrophobicContact CE2-CE2 4.09Å; Y124-F182 HydrophobicContact CE2-CZ 4.44Å
125S98Very high97.1Very high3 Ų330.4 Ų30.42%0.02117%0.167CC..Hα-helixtrans-73.8-45.2-179.4-53.40000111.3H70 G121 I122 A127 K128 L130H70-S125 VanDerWaalsContact ND1-CB 3.29Å; H70-S125 WeakPolarHBondContact ND1-CB 3.03Å; H70-S125 PolarHBondContact ND1-OG 3.48Å; G121-S125 VanDerWaalsContact O-CB 3.3Å; G121-S125 WeakPolarHBondContact O-CB 3.39Å; G121-S125 PolarHBondContact O-N 3.11Å; G121-S125 PolarHBondContact O-OG 3.32Å; I122-S125 PolarHBondContact O-N 2.56Å; S125-A127 VanDerWaalsContact C-N 3.27Å; S125-A127 PolarHBondContact O-N 3.41Å; S125-K128 WeakPolarHBondContact O-CB 3.41Å; S125-K128 PolarHBondContact O-N 3.26Å; S125-L130 PolarHBondContact O-N 2.85Å
126A97.8Very high97.1Very high11 Ų1131.5 Ų31.59%0.09117%0.174CC..Hα-helixtrans-62.9-33.617500000112.3I122 K128 G129 Y132 I181I122-A126 VanDerWaalsContact O-CB 3.31Å; I122-A126 WeakPolarHBondContact O-CB 3.19Å; I122-A126 PolarHBondContact O-N 3.13Å; A126-K128 PolarHBondContact O-N 3.47Å; A126-G129 PolarHBondContact O-N 2.97Å; A126-Y132 HydrophobicContact CB-CD2 4.46Å; A126-I181 HydrophobicContact CB-CD1 4.43Å; A126-I181 HydrophobicContact CB-CG1 4.49Å; A126-I181 HydrophobicContact CB-CG2 4.17Å
127A97.7Very high97.2Very high9 Ų933.9 Ų33.97%0.07419%0.187CC..Hα-helixtrans-64.3-20.2174.900000113.9A123 S125 G129 F174 K177 V178 I181A123-A127 VanDerWaalsContact O-CB 3.24Å; A123-A127 WeakPolarHBondContact O-CB 3.48Å; A123-A127 PolarHBondContact O-N 3.44Å; S125-A127 VanDerWaalsContact C-N 3.27Å; S125-A127 PolarHBondContact O-N 3.41Å; A127-G129 VanDerWaalsContact C-N 3.33Å; A127-F174 HydrophobicContact CB-CE2 3.93Å; A127-F174 HydrophobicContact CB-CZ 4.07Å; A127-K177 HydrophobicContact CB-CB 3.97Å; A127-V178 HydrophobicContact CB-CB 4.39Å; A127-V178 HydrophobicContact CB-CG2 3.58Å; A127-I181 HydrophobicContact CB-CG1 4.43Å
128K97.1Very high97.2Very high54 Ų5435.1 Ų35.124%0.23520%0.196CC..THydrogen-bonded Turntrans-82-9.9170.4-65.7-177.2175.4176.40114.1Y57 D66 S125 A126 Y169 F174Y57-K128 PolarHBondContact OH-NZ 3.14Å; D66-K128 HydrophobicContact CB-CD 4.31Å; D66-K128 VanDerWaalsContact CG-CD 3.45Å; D66-K128 VanDerWaalsContact OD1-CD 3.22Å; D66-K128 WeakPolarHBondContact OD1-CD 2.95Å; D66-K128 WeakPolarHBondContact OD1-CE 3.36Å; D66-K128 IonicContact OD1-NZ 3.18Å; D66-K128 PolarHBondContact OD1-NZ 3.24Å; D66-K128 WeakPolarHBondContact OD2-CD 3.24Å; S125-K128 WeakPolarHBondContact O-CB 3.41Å; S125-K128 PolarHBondContact O-N 3.26Å; A126-K128 PolarHBondContact O-N 3.47Å; K128-Y169 WeakPolarHBondContact CE-OH 3.24Å; K128-Y169 PolarHBondContact NZ-OH 2.95Å; K128-F174 HydrophobicContact CG-CE2 3.66Å; K128-F174 HydrophobicContact CG-CZ 3.79Å
129G97.4Very high97.2Very high69 Ų6935.3 Ų35.371%0.71120%0.195SC*.THydrogen-bonded Turntrans105.36.4-179.200000114.6A126 A127A126-G129 PolarHBondContact O-N 2.97Å; A127-G129 VanDerWaalsContact C-N 3.33Å
130L97.9Very high97Very high18 Ų1840.1 Ų40.19%0.09422%0.217CC..  trans-66.8149.8169.1-87.457.1000110.4D66 H70 S125 Y132 W134D66-L130 HydrophobicContact CB-CD1 3.54Å; D66-L130 HydrophobicContact CB-CD2 4.32Å; H70-L130 HydrophobicContact CB-CD2 4.18Å; S125-L130 PolarHBondContact O-N 2.85Å; L130-Y132 PolarHBondContact O-N 2.83Å; L130-W134 HydrophobicContact CD2-CE3 4.23Å; L130-W134 HydrophobicContact CD2-CZ3 3.72Å
131D97.7Very high96.8Very high98 Ų9841.9 Ų41.952%0.52424%0.236SC..  trans-61.5132.6175.6178.174.8000111D133 W134 C135D131-D133 WeakPolarHBondContact OD2-CB 3.5Å; D131-D133 PolarHBondContact OD2-N 3.34Å; D131-W134 HydrophobicContact CB-CB 3.9Å; D131-W134 WeakPolarHBondContact OD2-CB 3.41Å; D131-W134 PolarHBondContact OD2-N 3Å; D131-C135 PolarHBondContact O-N 3.37Å; D131-C135 PolarHBondContact O-SG 3.36Å
132Y96.4Very high96.7Very high53 Ų5342.6 Ų42.621%0.20824%0.239CC..Hα-helixtrans-66.5-43.6-174.7173-88.1000111.7I122 A126 L130 W134 C135 C136 K185 V186I122-Y132 HydrophobicContact CG2-CD2 3.86Å; I122-Y132 HydrophobicContact CG2-CE2 3.57Å; A126-Y132 HydrophobicContact CB-CD2 4.46Å; L130-Y132 PolarHBondContact O-N 2.83Å; Y132-W134 VanDerWaalsContact C-N 3.33Å; Y132-W134 PolarHBondContact O-N 2.84Å; Y132-C135 WeakPolarHBondContact O-CB 3.42Å; Y132-C135 PolarHBondContact O-N 3.25Å; Y132-C136 PolarHBondContact O-N 3.1Å; Y132-C136 VanDerWaalsContact O-N 3.17Å; Y132-C136 PolarHBondContact O-SG 3.31Å; Y132-K185 HydrophobicContact CD2-CB 3.91Å; Y132-K185 HydrophobicContact CD2-CD 3.75Å; Y132-K185 HydrophobicContact CE2-CB 3.46Å; Y132-K185 VanDerWaalsContact CE2-CB 3.46Å; Y132-K185 HydrophobicContact CE2-CD 4.21Å; Y132-K185 HydrophobicContact CE2-CG 4.49Å; Y132-K185 HydrophobicContact CG-CD 4.05Å; Y132-K185 PolarHBondContact OH-O 3Å; Y132-V186 HydrophobicContact CE2-CG2 3.87Å
133D95.3Very high96.5Very high103 Ų10342.8 Ų42.855%0.55124%0.241SC*.Hα-helixtrans-69.1-37.2-177.6-71.6-27.2000110.6D131 C136 Q137D131-D133 WeakPolarHBondContact OD2-CB 3.5Å; D131-D133 PolarHBondContact OD2-N 3.34Å; D133-C136 WeakPolarHBondContact O-CB 3.19Å; D133-C136 PolarHBondContact O-N 2.99Å; D133-Q137 WeakPolarHBondContact O-CG 3.45Å; D133-Q137 PolarHBondContact O-N 3.02Å; D133-Q137 PolarHBondContact O-NE2 2.67Å
134W97.8Very high96.4Very high86 Ų8649.5 Ų49.533%0.32627%0.266SS..Hα-helixtrans-59.6-47.9170.6-174.490.3000111.4H67 H70 L71 L130 D131 Y132 C136 Q137 P138H67-W134 HydrophobicContact CB-CH2 3.7Å; H67-W134 HydrophobicContact CB-CZ2 4.15Å; H67-W134 HydrophobicContact CB-CZ3 4.44Å; H67-W134 AromaticContact CD2-CH2 3.65Å; H67-W134 AromaticContact CD2-CZ2 3.79Å; H67-W134 AromaticContact CD2-CZ3 3.86Å; H70-W134 HydrophobicContact CB-CH2 4.4Å; H70-W134 HydrophobicContact CB-CZ3 4.04Å; H70-W134 AromaticContact CD2-CH2 3.72Å; H70-W134 AromaticContact CD2-CZ3 3.24Å; H70-W134 WeakPolarHBondContact CD2-CZ3 3.39Å; H70-W134 AromaticContact CG-CZ3 3.71Å; L71-W134 HydrophobicContact CD2-CH2 4.22Å; L71-W134 HydrophobicContact CD2-CZ2 4.36Å; L71-W134 HydrophobicContact CG-CH2 4.11Å; L71-W134 HydrophobicContact CG-CZ2 4.45Å; L130-W134 HydrophobicContact CD2-CE3 4.23Å; L130-W134 HydrophobicContact CD2-CZ3 3.72Å; D131-W134 HydrophobicContact CB-CB 3.9Å; D131-W134 WeakPolarHBondContact OD2-CB 3.41Å; D131-W134 PolarHBondContact OD2-N 3Å; Y132-W134 VanDerWaalsContact C-N 3.33Å; Y132-W134 PolarHBondContact O-N 2.84Å; W134-C136 PolarHBondContact O-N 2.97Å; W134-C136 VanDerWaalsContact O-N 3.14Å; W134-Q137 PolarHBondContact O-N 3.49Å; W134-P138 VanDerWaalsContact O-CD 3.28Å; W134-P138 WeakPolarHBondContact O-CD 3.16Å
135C97.4Very high96.2Very high0 Ų049 Ų490%026%0.264CS..Hα-helixtrans-58.9-27177.7-69.40000113.1H70 I122 D131 Y132H70-C135 PolarHBondContact CE1-O 2.83Å; H70-C135 VanDerWaalsContact CE1-O 3.23Å; H70-C135 WeakPolarHBondContact NE2-CA 3.49Å; H70-C135 PolarHBondContact NE2-O 3.09Å; H70-C135 VanDerWaalsContact NE2-O 3.13Å; I122-C135 HydrophobicContact CG1-CB 4.5Å; I122-C135 HydrophobicContact CG2-CB 4.21Å; D131-C135 PolarHBondContact O-N 3.37Å; D131-C135 PolarHBondContact O-SG 3.36Å; Y132-C135 WeakPolarHBondContact O-CB 3.42Å; Y132-C135 PolarHBondContact O-N 3.25Å
136C96.1Very high96.1Very high26 Ų2651 Ų5118%0.17627%0.274CS..Hα-helixtrans-77.7-25.4178.8-64.10000113.4Y132 D133 W134Y132-C136 PolarHBondContact O-N 3.1Å; Y132-C136 VanDerWaalsContact O-N 3.17Å; Y132-C136 PolarHBondContact O-SG 3.31Å; D133-C136 WeakPolarHBondContact O-CB 3.19Å; D133-C136 PolarHBondContact O-N 2.99Å; W134-C136 PolarHBondContact O-N 2.97Å; W134-C136 VanDerWaalsContact O-N 3.14Å
137Q97.5Very high96Very high92 Ų9251.9 Ų51.943%0.4328%0.278SS..SBendtrans-65.3-44.5-169.6-55.2-54.5-58.400114.2D133 W134 D139 K140D133-Q137 WeakPolarHBondContact O-CG 3.45Å; D133-Q137 PolarHBondContact O-N 3.02Å; D133-Q137 PolarHBondContact O-NE2 2.67Å; W134-Q137 PolarHBondContact O-N 3.49Å; Q137-D139 PolarHBondContact O-N 2.64Å; Q137-K140 WeakPolarHBondContact O-CB 3.43Å; Q137-K140 PolarHBondContact O-N 3.5Å; Q137-K140 VanDerWaalsContact O-N 3.1Å; Q137-K140 VanDerWaalsContact OE1-CE 3.23Å
138P96.7Very high95.9Very high32 Ų3251.5 Ų51.521%0.20827%0.274CS..THydrogen-bonded Turntrans-62.9-27.6-175.3-26.337.8000113.6L71 S74 W78 W134L71-P138 HydrophobicContact CD2-CB 4.1Å; L71-P138 HydrophobicContact CD2-CG 3.56Å; S74-P138 VanDerWaalsContact OG-C 3.25Å; S74-P138 VanDerWaalsContact OG-CB 3.24Å; S74-P138 WeakPolarHBondContact OG-CB 3.47Å; S74-P138 PolarHBondContact OG-O 3.21Å; W78-P138 PolarHBondContact NE1-O 2.89Å; W134-P138 VanDerWaalsContact O-CD 3.28Å; W134-P138 WeakPolarHBondContact O-CD 3.16Å
139D95.8Very high95.8Very high14 Ų1449.3 Ų49.38%0.07527%0.265CS..THydrogen-bonded Turntrans-90.3-3-179.7-70-35.6000113.6S74 R77 A118 Q137 G141 L142S74-D139 WeakPolarHBondContact CB-OD1 3.44Å; S74-D139 PolarHBondContact OG-OD1 3.48Å; R77-D139 IonicContact CZ-OD1 3.35Å; R77-D139 VanDerWaalsContact CZ-OD1 3.32Å; R77-D139 IonicContact CZ-OD2 3.49Å; R77-D139 IonicContact NE-OD1 3.79Å; R77-D139 PolarHBondContact NE-OD1 3.34Å; R77-D139 IonicContact NE-OD2 3.27Å; R77-D139 IonicContact NH2-OD1 2.93Å; R77-D139 PolarHBondContact NH2-OD1 3.26Å; R77-D139 IonicContact NH2-OD2 3.57Å; R77-D139 PolarHBondContact NH2-OD2 2.84Å; A118-D139 HydrophobicContact CB-CB 3.88Å; A118-D139 WeakPolarHBondContact CB-OD2 3.48Å; Q137-D139 PolarHBondContact O-N 2.64Å; D139-G141 PolarHBondContact O-N 3.25Å; D139-L142 HydrophobicContact CB-CD1 3.88Å; D139-L142 WeakPolarHBondContact O-CB 3.47Å; D139-L142 WeakPolarHBondContact O-CG 3.38Å; D139-L142 PolarHBondContact O-N 3.04Å; D139-L142 VanDerWaalsContact O-N 3.13Å; D139-L142 WeakPolarHBondContact OD1-CD1 3.35Å
140K93.7Very high95.7Very high133 Ų13346 Ų4658%0.57823%0.231SC*.THydrogen-bonded Turntrans-61.8122.6176.1-75.8-175.8174.8179.10110.5W78 Q137W78-K140 WeakPolarHBondContact CZ2-O 3.25Å; Q137-K140 WeakPolarHBondContact O-CB 3.43Å; Q137-K140 PolarHBondContact O-N 3.5Å; Q137-K140 VanDerWaalsContact O-N 3.1Å; Q137-K140 VanDerWaalsContact OE1-CE 3.23Å
141G92.2Very high95.5Very high46 Ų4645.8 Ų45.847%0.47423%0.23SC..THydrogen-bonded Turntrans99.5-2.1-179.400000114.4R99 D139R99-G141 WeakPolarHBondContact CD-O 3.48Å; R99-G141 VanDerWaalsContact CZ-O 3.26Å; R99-G141 PolarHBondContact NE-O 3.12Å; R99-G141 PolarHBondContact NH1-O 3.37Å; D139-G141 PolarHBondContact O-N 3.25Å
142L94.7Very high95.2Very high22 Ų2242.6 Ų42.612%0.11521%0.213CC..SBendtrans-64.9151.2164-71.3179.9000111R77 W78 R99 Y117 A118 D139 R144R77-L142 HydrophobicContact CB-CD1 3.8Å; R77-L142 HydrophobicContact CB-CD2 4.27Å; R77-L142 HydrophobicContact CG-CD1 4.42Å; W78-L142 HydrophobicContact CD2-CD2 3.64Å; W78-L142 HydrophobicContact CD2-CG 4.43Å; W78-L142 HydrophobicContact CE3-CD2 4.04Å; W78-L142 HydrophobicContact CG-CD2 4.13Å; W78-L142 HydrophobicContact CH2-CD2 4.2Å; W78-L142 HydrophobicContact CH2-CG 4.48Å; W78-L142 HydrophobicContact CZ2-CD2 3.79Å; W78-L142 HydrophobicContact CZ2-CG 3.8Å; W78-L142 HydrophobicContact CZ3-CD2 4.34Å; R99-L142 HydrophobicContact CB-CD2 4.07Å; Y117-L142 HydrophobicContact CE1-CB 4.42Å; A118-L142 HydrophobicContact CB-CD1 4.38Å; D139-L142 HydrophobicContact CB-CD1 3.88Å; D139-L142 WeakPolarHBondContact O-CB 3.47Å; D139-L142 WeakPolarHBondContact O-CG 3.38Å; D139-L142 PolarHBondContact O-N 3.04Å; D139-L142 VanDerWaalsContact O-N 3.13Å; D139-L142 WeakPolarHBondContact OD1-CD1 3.35Å; L142-R144 PolarHBondContact O-N 2.99Å
143P93.9Very high94.8Very high18 Ų1840 Ų4012%0.11720%0.203CC..PPolyproline II helixtrans-58128.4173.4-25.336.7000110.5F9 R99 I102 E103 Y117 P145F9-P143 HydrophobicContact CD1-CB 4.39Å; F9-P143 HydrophobicContact CE1-CB 4.32Å; F9-P143 WeakPolarHBondContact CE1-O 3.33Å; R99-P143 HydrophobicContact CB-CG 4.39Å; R99-P143 HydrophobicContact CG-CG 3.94Å; I102-P143 HydrophobicContact CB-CG 4.28Å; I102-P143 HydrophobicContact CG2-CB 3.9Å; I102-P143 HydrophobicContact CG2-CG 4.04Å; E103-P143 HydrophobicContact CG-CG 3.78Å; Y117-P143 WeakPolarHBondContact CE1-O 3.38Å; Y117-P143 PolarHBondContact OH-O 2.93Å; P143-P145 WeakPolarHBondContact O-CD 3.44Å
144R94.2Very high94.3Very high140 Ų14039.9 Ų39.953%0.52820%0.199SC..PPolyproline II helixtrans-78.6127.6177.9-176.6-179.2172.3155.28.4109.6L142 D188 N190L142-R144 PolarHBondContact O-N 2.99Å; R144-D188 IonicContact CZ-OD2 2.9Å; R144-D188 IonicContact NH1-OD2 2.91Å; R144-D188 IonicContact NH2-OD2 3.32Å; R144-D188 PolarHBondContact NH2-OD2 3.3Å; R144-N190 PolarHBondContact NH2-OD1 3.21Å; R144-N190 VanDerWaalsContact NH2-OD1 3.15Å
145P95.3Very high93.7Very high2 Ų236 Ų361%0.01319%0.185CC..PPolyproline II helixtrans-58.3138169.5-24.534000111.9F9 A11 Y117 Y119 P143 I147 V148 N190F9-P145 HydrophobicContact CD1-CB 4.1Å; F9-P145 HydrophobicContact CD1-CG 3.97Å; F9-P145 HydrophobicContact CE1-CB 4.28Å; F9-P145 HydrophobicContact CE1-CG 3.66Å; F9-P145 HydrophobicContact CE2-CG 4.38Å; F9-P145 HydrophobicContact CG-CB 4.21Å; F9-P145 HydrophobicContact CG-CG 4.45Å; F9-P145 HydrophobicContact CZ-CG 3.87Å; F9-P145 CarbonylContact O-C 3.58Å; A11-P145 HydrophobicContact CB-CB 3.94Å; A11-P145 HydrophobicContact CB-CG 3.69Å; Y117-P145 HydrophobicContact CD1-CG 3.92Å; Y117-P145 HydrophobicContact CE1-CG 4.26Å; Y119-P145 HydrophobicContact CE2-CG 4.1Å; P143-P145 WeakPolarHBondContact O-CD 3.44Å; P145-I147 VanDerWaalsContact C-N 3.3Å; P145-V148 HydrophobicContact CB-CG2 4.12Å; P145-N190 PolarHBondContact O-ND2 2.89Å
146D95.3Very high93.1Very high44 Ų4440 Ų4024%0.23520%0.204CC..SBendtrans-65.7-38.5173-65.3-57.1000111.2R6 I8 F9R6-D146 IonicContact CZ-OD1 3.45Å; R6-D146 IonicContact CZ-OD2 3.62Å; R6-D146 IonicContact NH1-OD1 3.36Å; R6-D146 PolarHBondContact NH1-OD1 3.04Å; R6-D146 IonicContact NH1-OD2 2.76Å; R6-D146 PolarHBondContact NH1-OD2 3.26Å; R6-D146 IonicContact NH2-OD1 2.65Å; R6-D146 PolarHBondContact NH2-OD1 3.18Å; R6-D146 IonicContact NH2-OD2 3.56Å; I8-D146 WeakPolarHBondContact CA-OD2 3.37Å; I8-D146 HydrophobicContact CG2-CB 3.84Å; F9-D146 PolarHBondContact N-OD2 3.05Å; F9-D146 WeakPolarHBondContact O-CB 3.18Å; F9-D146 PolarHBondContact O-N 3.11Å
147I95.2Very high92.3Very high31 Ų3141.5 Ų41.516%0.15921%0.211CC..EExtended strand (participates in β ladder)trans-133.1134.6179.3-56.7174.6000108.4F9 V10 A11 P145 I149 R192F9-I147 PolarHBondContact O-N 3.04Å; V10-I147 WeakPolarHBondContact CA-O 3.23Å; V10-I147 HydrophobicContact CG1-CB 4.3Å; V10-I147 HydrophobicContact CG1-CG2 4.45Å; V10-I147 HydrophobicContact CG2-CB 4.4Å; A11-I147 PolarHBondContact N-O 3.33Å; P145-I147 VanDerWaalsContact C-N 3.3Å; I147-I149 HydrophobicContact CG2-CG1 3.91Å; I147-R192 HydrophobicContact CG2-CG 4.12Å
148V95.5Very high91.4Very high0 Ų037.1 Ų37.10%019%0.191CC..EExtended strand (participates in β ladder)trans-113121.9167.6-174.60000108.2A11 E13 Y119 P145 N190 W191 R192A11-V148 CarbonylContact O-C 3.55Å; A11-V148 WeakPolarHBondContact O-CA 3.35Å; E13-V148 HydrophobicContact CB-CG1 4.26Å; E13-V148 HydrophobicContact CG-CG1 3.96Å; Y119-V148 HydrophobicContact CD2-CG1 4.2Å; Y119-V148 HydrophobicContact CD2-CG2 4.28Å; Y119-V148 HydrophobicContact CE2-CB 4.42Å; Y119-V148 HydrophobicContact CE2-CG1 4.12Å; Y119-V148 HydrophobicContact CE2-CG2 3.4Å; P145-V148 HydrophobicContact CB-CG2 4.12Å; V148-N190 PolarHBondContact N-O 2.84Å; V148-W191 HydrophobicContact CB-CD2 4.02Å; V148-W191 HydrophobicContact CB-CG 3.95Å; V148-W191 HydrophobicContact CG1-CD2 3.81Å; V148-W191 HydrophobicContact CG1-CE3 4.21Å; V148-W191 HydrophobicContact CG1-CG 4.28Å; V148-W191 HydrophobicContact CG1-CH2 4.18Å; V148-W191 HydrophobicContact CG1-CZ2 3.8Å; V148-W191 HydrophobicContact CG1-CZ3 4.4Å; V148-W191 CarbonylContact O-C 3.56Å; V148-W191 VanDerWaalsContact O-CA 3.3Å; V148-W191 WeakPolarHBondContact O-CA 3.24Å; V148-R192 PolarHBondContact O-N 2.96Å
149I95.4Very high90.7Very high8 Ų840.3 Ų40.34%0.04120%0.203CC..EExtended strand (participates in β ladder)trans-103.3113.4177.3-55.5177.5000107.3V10 A11 L12 E13 I147 L151 R192 R194 F207V10-I149 HydrophobicContact CG1-CD1 3.72Å; V10-I149 HydrophobicContact CG1-CG1 4.01Å; A11-I149 PolarHBondContact O-N 3.3Å; L12-I149 CarbonylContact C-O 3.48Å; L12-I149 WeakPolarHBondContact CA-O 3.23Å; L12-I149 HydrophobicContact CG-CB 4.3Å; E13-I149 PolarHBondContact N-O 2.71Å; I147-I149 HydrophobicContact CG2-CG1 3.91Å; I149-L151 HydrophobicContact CG2-CD2 4.24Å; I149-R192 WeakPolarHBondContact CA-O 3.48Å; I149-R194 HydrophobicContact CG2-CG 4.11Å; I149-F207 HydrophobicContact CD1-CD1 3.34Å; I149-F207 HydrophobicContact CD1-CE1 3.51Å
150F95.1Very high90Very high0 Ų044.9 Ų44.90%024%0.235CC..EExtended strand (participates in β ladder)trans-95117.8175.1-173.4-94.6000109.5E13 D152 Y179 F182 M183 W191 R192 V193 R194E13-F150 HydrophobicContact CB-CD2 4.06Å; E13-F150 WeakPolarHBondContact O-CA 3.49Å; F150-D152 HydrophobicContact CD1-CB 4.06Å; F150-D152 HydrophobicContact CE1-CB 4.17Å; F150-D152 PolarHBondContact O-N 3.4Å; F150-Y179 HydrophobicContact CE1-CD2 4.47Å; F150-Y179 HydrophobicContact CE1-CE2 4.04Å; F150-Y179 HydrophobicContact CZ-CD2 4.25Å; F150-Y179 HydrophobicContact CZ-CE2 4.28Å; F150-F182 HydrophobicContact CD2-CD1 4.4Å; F150-F182 HydrophobicContact CD2-CG 4.41Å; F150-F182 HydrophobicContact CE2-CB 3.73Å; F150-F182 AromaticContact CE2-CD1 3.95Å; F150-F182 HydrophobicContact CE2-CD1 3.95Å; F150-F182 AromaticContact CE2-CD2 3.73Å; F150-F182 HydrophobicContact CE2-CD2 3.73Å; F150-F182 HydrophobicContact CE2-CE1 4.43Å; F150-F182 HydrophobicContact CE2-CE2 4.24Å; F150-F182 AromaticContact CE2-CG 3.56Å; F150-F182 HydrophobicContact CE2-CG 3.56Å; F150-F182 HydrophobicContact CZ-CB 4.07Å; F150-F182 HydrophobicContact CZ-CD2 4.28Å; F150-F182 HydrophobicContact CZ-CG 4.26Å; F150-M183 HydrophobicContact CD1-CE 3.48Å; F150-M183 VanDerWaalsContact CD1-CE 3.48Å; F150-M183 HydrophobicContact CD2-CE 4.11Å; F150-M183 HydrophobicContact CE1-CE 3.21Å; F150-M183 HydrophobicContact CE1-SD 4.37Å; F150-M183 HydrophobicContact CE2-CE 3.87Å; F150-M183 HydrophobicContact CG-CE 3.91Å; F150-M183 HydrophobicContact CZ-CE 3.42Å; F150-M183 VanDerWaalsContact CZ-CE 3.42Å; F150-W191 HydrophobicContact CB-CE3 3.85Å; F150-W191 HydrophobicContact CB-CZ3 3.92Å; F150-W191 HydrophobicContact CD2-CE3 4.39Å; F150-W191 HydrophobicContact CD2-CH2 4.44Å; F150-W191 AromaticContact CD2-CZ3 3.61Å; F150-W191 HydrophobicContact CD2-CZ3 3.61Å; F150-W191 HydrophobicContact CE2-CZ3 4.45Å; F150-W191 HydrophobicContact CG-CE3 4.38Å; F150-W191 HydrophobicContact CG-CZ3 4.03Å; F150-R192 PolarHBondContact N-O 3.09Å; F150-V193 HydrophobicContact CD1-CG1 4.34Å; F150-R194 PolarHBondContact O-N 2.91Å
151L93.8Very high89.4Confident13 Ų1341.6 Ų41.67%0.06822%0.219CC..EExtended strand (participates in β ladder)trans-81.399.5172.8-60.6-174.5000109E13 K20 Q23 I149 V153E13-L151 PolarHBondContact O-N 2.9Å; K20-L151 HydrophobicContact CB-CD1 4.34Å; K20-L151 HydrophobicContact CG-CD1 3.91Å; Q23-L151 HydrophobicContact CB-CD1 4.25Å; Q23-L151 HydrophobicContact CG-CD1 3.85Å; Q23-L151 HydrophobicContact CG-CD2 4.34Å; I149-L151 HydrophobicContact CG2-CD2 4.24Å; L151-V153 PolarHBondContact O-N 2.97Å
152D91.4Very high88.6Confident31 Ų3142.7 Ų42.717%0.16623%0.23CC..EExtended strand (participates in β ladder)trans-80.496.4-176.5-166.611000109.6F150 Y179 V193 R194 G196F150-D152 HydrophobicContact CD1-CB 4.06Å; F150-D152 HydrophobicContact CE1-CB 4.17Å; F150-D152 PolarHBondContact O-N 3.4Å; D152-Y179 WeakPolarHBondContact OD1-CE2 3.48Å; D152-Y179 PolarHBondContact OD1-OH 3.43Å; D152-V193 HydrophobicContact CB-CG1 3.72Å; D152-R194 PolarHBondContact N-O 3.12Å; D152-G196 PolarHBondContact O-N 2.82Å
153V88.3Confident87.9Confident0 Ų047.1 Ų47.10%025%0.254CS..  trans-131.2125.4177.9178.80000106.8L15 L151 V157 A158L15-V153 WeakPolarHBondContact CD1-O 3.38Å; L151-V153 PolarHBondContact O-N 2.97Å; V153-V157 HydrophobicContact CG1-CB 3.85Å; V153-V157 HydrophobicContact CG1-CG1 3.85Å; V153-A158 HydrophobicContact CG1-CB 4.35Å
154H85.4Confident87.4Confident100 Ų10047.8 Ų47.846%0.46326%0.255SS..  trans-64.5148.7176.6-72.7-78.6000111.5E156 V157 A158H154-E156 PolarHBondContact O-N 3.06Å; H154-V157 HydrophobicContact CB-CG2 4.36Å; H154-V157 PolarHBondContact O-N 3.24Å; H154-A158 PolarHBondContact O-N 3.42Å
155A83.9Confident87Confident4 Ų442.5 Ų42.53%0.03324%0.244CC..Hα-helixtrans-57.6-36-175.600000112.5L15 A158 E159 V172 Q175 K176L15-A155 HydrophobicContact CD1-CB 4.27Å; A155-A158 PolarHBondContact O-N 3.45Å; A155-E159 PolarHBondContact O-N 3.34Å; A155-V172 HydrophobicContact CB-CG1 4.22Å; A155-Q175 HydrophobicContact CB-CB 3.84Å; A155-K176 HydrophobicContact CB-CG 4.09Å
156E85Confident86.7Confident85 Ų8548.5 Ų48.540%0.39727%0.272SS..Hα-helixtrans-66.8-35.9177.7-63.177.5-17200112.2H154 C160 K176H154-E156 PolarHBondContact O-N 3.06Å; E156-C160 PolarHBondContact O-SG 2.96Å; E156-K176 WeakPolarHBondContact OE1-CE 3.28Å; E156-K176 IonicContact OE1-NZ 3.47Å; E156-K176 PolarHBondContact OE1-NZ 2.71Å
157V81Confident86.6Confident56 Ų5648.1 Ų48.134%0.33927%0.269SS..Hα-helixtrans-73.7-36.6176.51790000110.4V153 H154 C160V153-V157 HydrophobicContact CG1-CB 3.85Å; V153-V157 HydrophobicContact CG1-CG1 3.85Å; H154-V157 HydrophobicContact CB-CG2 4.36Å; H154-V157 PolarHBondContact O-N 3.24Å; V157-C160 PolarHBondContact O-N 3.34Å
158A77.8Confident86.5Confident0 Ų048.4 Ų48.40%027%0.272CS..Hα-helixtrans-65.7-36.2176.400000112.8D16 R17 V153 H154 A155 C160 R161D16-A158 VanDerWaalsContact O-CB 3.24Å; D16-A158 WeakPolarHBondContact O-CB 3.34Å; R17-A158 HydrophobicContact CB-CB 4.24Å; V153-A158 HydrophobicContact CG1-CB 4.35Å; H154-A158 PolarHBondContact O-N 3.42Å; A155-A158 PolarHBondContact O-N 3.45Å; A158-C160 VanDerWaalsContact C-N 3.29Å; A158-C160 PolarHBondContact O-N 3.26Å; A158-R161 WeakPolarHBondContact O-CB 3.38Å; A158-R161 PolarHBondContact O-N 3.41Å
159E82.4Confident86.3Confident100 Ų10049 Ų4947%0.46728%0.275SS..Hα-helixtrans-60.6-37.5176.5-178.9176.2-138.800112.3A155 R161 F164 V172A155-E159 PolarHBondContact O-N 3.34Å; E159-R161 PolarHBondContact O-N 2.97Å; E159-F164 HydrophobicContact CB-CD1 4.2Å; E159-F164 HydrophobicContact CB-CE1 4.24Å; E159-F164 HydrophobicContact CB-CG 4.46Å; E159-F164 HydrophobicContact CG-CD1 3.9Å; E159-F164 HydrophobicContact CG-CE1 4.13Å; E159-F164 HydrophobicContact CG-CG 4.48Å; E159-V172 HydrophobicContact CB-CG2 4.04Å; E159-V172 HydrophobicContact CG-CG2 4.08Å; E159-V172 WeakPolarHBondContact OE1-CG2 3.46Å; E159-V172 VanDerWaalsContact OE2-CG2 3.3Å; E159-V172 WeakPolarHBondContact OE2-CG2 3.43Å
160C80.9Confident86.1Confident110 Ų11049.1 Ų49.174%0.74328%0.275SS*.THydrogen-bonded Turntrans-69.2-0.9178.6-66.20000114.4E156 V157 A158E156-C160 PolarHBondContact O-SG 2.96Å; V157-C160 PolarHBondContact O-N 3.34Å; A158-C160 VanDerWaalsContact C-N 3.29Å; A158-C160 PolarHBondContact O-N 3.26Å
161R79.9Confident86Confident63 Ų6355.6 Ų55.624%0.23830%0.303CS..SBendtrans-107.3108.1-173-65.6176.6178.6-171.6-1.5112R17 S18 A158 E159 G196R17-R161 HydrophobicContact CB-CB 4.06Å; R17-R161 WeakPolarHBondContact O-CD 3.19Å; R17-R161 PolarHBondContact O-NH1 3.35Å; S18-R161 PolarHBondContact O-NH1 2.9Å; A158-R161 WeakPolarHBondContact O-CB 3.38Å; A158-R161 PolarHBondContact O-N 3.41Å; E159-R161 PolarHBondContact O-N 2.97Å; R161-G196 PolarHBondContact NH2-O 2.81Å
162G75.8Confident85.9Confident69 Ų6956 Ų5671%0.71131%0.306SS*.SBendtrans65.2-142.7167.500000113.6F164G162-F164 PolarHBondContact O-N 3.26Å
163D81.5Confident86Confident115 Ų11560.4 Ų60.462%0.61533%0.325SS*.SBendtrans-82.550.6-178.3-53.4-50.2000112.6R17 G165 Q166R17-D163 PolarHBondContact NH2-O 3.5Å; D163-G165 PolarHBondContact O-N 3.5Å; D163-Q166 HydrophobicContact CB-CG 3.98Å; D163-Q166 WeakPolarHBondContact O-CG 3.38Å
164F82.7Confident86.4Confident33 Ų3361.9 Ų61.915%0.14533%0.332CS..THydrogen-bonded Turntrans-63.6133.2175.7-173.8-88000110.7R17 E159 G162 E170 V172 Q175R17-F164 HydrophobicContact CG-CD2 3.88Å; E159-F164 HydrophobicContact CB-CD1 4.2Å; E159-F164 HydrophobicContact CB-CE1 4.24Å; E159-F164 HydrophobicContact CB-CG 4.46Å; E159-F164 HydrophobicContact CG-CD1 3.9Å; E159-F164 HydrophobicContact CG-CE1 4.13Å; E159-F164 HydrophobicContact CG-CG 4.48Å; G162-F164 PolarHBondContact O-N 3.26Å; F164-E170 HydrophobicContact CD1-CB 4.33Å; F164-E170 HydrophobicContact CD2-CB 4.15Å; F164-E170 HydrophobicContact CD2-CG 4.37Å; F164-E170 VanDerWaalsContact CE1-C 3.47Å; F164-E170 HydrophobicContact CE1-CB 4.18Å; F164-E170 WeakPolarHBondContact CE1-O 3.29Å; F164-E170 HydrophobicContact CE2-CB 3.99Å; F164-E170 HydrophobicContact CE2-CG 4.35Å; F164-E170 HydrophobicContact CG-CB 4.32Å; F164-E170 VanDerWaalsContact CZ-C 3.42Å; F164-E170 HydrophobicContact CZ-CB 4.01Å; F164-V172 HydrophobicContact CE1-CG2 4.39Å; F164-Q175 HydrophobicContact CE2-CG 4.47Å; F164-Q175 HydrophobicContact CZ-CG 4.28Å
165G86.4Confident86.9Confident29 Ų2957.1 Ų57.130%0.29931%0.31SS..THydrogen-bonded Turntrans111.7-3.7175.500000114.6K60 D163 E170K60-G165 PolarHBondContact NZ-O 3.16Å; D163-G165 PolarHBondContact O-N 3.5Å; G165-E170 PolarHBondContact N-OE2 3.37Å
166Q89Confident87.5Confident128 Ų12860.2 Ų60.260%0.59832%0.323SS*.SBendtrans-72.5-38.3-179.2-62.1-55.9-40.300111.5K60 D163 E170K60-Q166 WeakPolarHBondContact CE-O 3.42Å; K60-Q166 PolarHBondContact NZ-O 3.31Å; D163-Q166 HydrophobicContact CB-CG 3.98Å; D163-Q166 WeakPolarHBondContact O-CG 3.38Å; Q166-E170 PolarHBondContact N-OE2 3.34Å
167E91.6Very high88Confident36 Ų3662 Ų6217%0.16833%0.329CS..SBendtrans-93.9162.5-178.4-61.5-167173.700113.3R46 L58 K60 Y169 E170R46-E167 IonicContact CZ-OE1 2.8Å; R46-E167 IonicContact NH1-OE1 3.3Å; R46-E167 PolarHBondContact NH1-OE1 2.97Å; R46-E167 IonicContact NH2-OE1 2.84Å; R46-E167 PolarHBondContact NH2-OE1 3.47Å; R46-E167 IonicContact NH2-OE2 2.66Å; R46-E167 PolarHBondContact NH2-OE2 3.3Å; L58-E167 CarbonylContact O-C 3.55Å; L58-E167 VanDerWaalsContact O-CA 3.3Å; L58-E167 WeakPolarHBondContact O-CA 3.3Å; K60-E167 VanDerWaalsContact CE-C 3.44Å; K60-E167 WeakPolarHBondContact CE-O 3.42Å; K60-E167 PolarHBondContact NZ-O 3.14Å; E167-Y169 PolarHBondContact O-N 2.93Å; E167-E170 HydrophobicContact CB-CG 4.2Å; E167-E170 PolarHBondContact N-OE2 2.64Å; E167-E170 VanDerWaalsContact N-OE2 3.08Å; E167-E170 PolarHBondContact O-N 2.85Å
168V93.2Very high88.8Confident36 Ų3659.3 Ų59.322%0.21831%0.313CS..THydrogen-bonded Turntrans-58.2-29.6-173.864.70000114.2Y57 L58 K60Y57-V168 HydrophobicContact CD1-CG1 4.24Å; Y57-V168 HydrophobicContact CE1-CG1 3.68Å; L58-V168 HydrophobicContact CD2-CG1 3.82Å; L58-V168 PolarHBondContact O-N 3.49Å; K60-V168 HydrophobicContact CG-CB 4.17Å
169Y92.7Very high89.6Confident14 Ų1461.3 Ų61.36%0.05532%0.321CS..THydrogen-bonded Turntrans-97.5-8-176.6-58.3-34.3000114.9Y57 L58 F73 Y124 K128 E167 K171 F174 Q175Y57-Y169 HydrophobicContact CE1-CE1 4.2Å; Y57-Y169 HydrophobicContact CE1-CE2 4.49Å; Y57-Y169 AromaticContact CE1-CZ 3.76Å; Y57-Y169 VanDerWaalsContact CE1-OH 3.28Å; Y57-Y169 WeakPolarHBondContact CE1-OH 3.22Å; L58-Y169 HydrophobicContact CD2-CD2 3.88Å; L58-Y169 HydrophobicContact CD2-CE2 3.74Å; F73-Y169 HydrophobicContact CE2-CE2 4.5Å; F73-Y169 HydrophobicContact CZ-CE2 4.48Å; Y124-Y169 AromaticContact CD1-CD2 3.42Å; Y124-Y169 HydrophobicContact CD1-CD2 3.42Å; Y124-Y169 VanDerWaalsContact CD1-CD2 3.42Å; Y124-Y169 AromaticContact CD1-CE2 3.98Å; Y124-Y169 HydrophobicContact CD1-CE2 3.98Å; Y124-Y169 AromaticContact CD1-CG 3.76Å; Y124-Y169 HydrophobicContact CD1-CG 3.76Å; Y124-Y169 AromaticContact CE1-CD2 3.85Å; Y124-Y169 HydrophobicContact CE1-CD2 3.85Å; Y124-Y169 HydrophobicContact CE1-CG 4.11Å; Y124-Y169 HydrophobicContact CG-CD2 4.45Å; K128-Y169 WeakPolarHBondContact CE-OH 3.24Å; K128-Y169 PolarHBondContact NZ-OH 2.95Å; E167-Y169 PolarHBondContact O-N 2.93Å; Y169-K171 PolarHBondContact O-N 3.06Å; Y169-F174 HydrophobicContact CD1-CD1 4.16Å; Y169-F174 AromaticContact CD1-CE1 3.47Å; Y169-F174 HydrophobicContact CD1-CE1 3.47Å; Y169-F174 VanDerWaalsContact CD1-CE1 3.47Å; Y169-F174 AromaticContact CD1-CZ 3.95Å; Y169-F174 HydrophobicContact CD1-CZ 3.95Å; Y169-F174 HydrophobicContact CE1-CE1 4.29Å; Y169-F174 HydrophobicContact CE1-CZ 4.37Å; Y169-F174 HydrophobicContact CG-CD1 4.33Å; Y169-F174 AromaticContact CG-CE1 3.7Å; Y169-F174 HydrophobicContact CG-CE1 3.7Å; Y169-F174 WeakPolarHBondContact O-CD1 3.43Å; Y169-Q175 PolarHBondContact O-NE2 3.34Å
170E90.1Very high90.2Very high10 Ų1060.7 Ų60.75%0.04732%0.32CS..  trans-78.865.7-176.9-65.4-177143.500110.9D16 R17 F164 G165 Q166 E167D16-E170 HydrophobicContact CB-CG 4.21Å; R17-E170 IonicContact CZ-OE1 3.77Å; R17-E170 VanDerWaalsContact CZ-OE1 3.3Å; R17-E170 IonicContact NE-OE1 2.81Å; R17-E170 PolarHBondContact NE-OE1 3.01Å; R17-E170 IonicContact NH2-OE1 2.89Å; R17-E170 PolarHBondContact NH2-OE1 2.66Å; R17-E170 IonicContact NH2-OE2 3.69Å; F164-E170 HydrophobicContact CD1-CB 4.33Å; F164-E170 HydrophobicContact CD2-CB 4.15Å; F164-E170 HydrophobicContact CD2-CG 4.37Å; F164-E170 VanDerWaalsContact CE1-C 3.47Å; F164-E170 HydrophobicContact CE1-CB 4.18Å; F164-E170 WeakPolarHBondContact CE1-O 3.29Å; F164-E170 HydrophobicContact CE2-CB 3.99Å; F164-E170 HydrophobicContact CE2-CG 4.35Å; F164-E170 HydrophobicContact CG-CB 4.32Å; F164-E170 VanDerWaalsContact CZ-C 3.42Å; F164-E170 HydrophobicContact CZ-CB 4.01Å; G165-E170 PolarHBondContact N-OE2 3.37Å; Q166-E170 PolarHBondContact N-OE2 3.34Å; E167-E170 HydrophobicContact CB-CG 4.2Å; E167-E170 PolarHBondContact N-OE2 2.64Å; E167-E170 VanDerWaalsContact N-OE2 3.08Å; E167-E170 PolarHBondContact O-N 2.85Å
171K93Very high90.9Very high135 Ų13556.6 Ų56.659%0.58729%0.291SS*.  trans-129.6127.8173.7-59.8179.3-175.4177.70108.6Y169 E173 F174 Q175Y169-K171 PolarHBondContact O-N 3.06Å; K171-E173 VanDerWaalsContact C-N 3.34Å; K171-E173 PolarHBondContact O-N 3.01Å; K171-F174 HydrophobicContact CB-CB 4.11Å; K171-F174 WeakPolarHBondContact O-CA 3.21Å; K171-F174 WeakPolarHBondContact O-CB 3.42Å; K171-F174 PolarHBondContact O-N 3.3Å; K171-Q175 WeakPolarHBondContact O-CG 3.47Å; K171-Q175 PolarHBondContact O-N 3.33Å
172V92Very high91.7Very high23 Ų2353.6 Ų53.614%0.13928%0.28CS..Hα-helixtrans-50.7-51.2-175.4175.70000112.4A155 E159 F164 F174 Q175 K176A155-V172 HydrophobicContact CB-CG1 4.22Å; E159-V172 HydrophobicContact CB-CG2 4.04Å; E159-V172 HydrophobicContact CG-CG2 4.08Å; E159-V172 WeakPolarHBondContact OE1-CG2 3.46Å; E159-V172 VanDerWaalsContact OE2-CG2 3.3Å; E159-V172 WeakPolarHBondContact OE2-CG2 3.43Å; F164-V172 HydrophobicContact CE1-CG2 4.39Å; V172-F174 VanDerWaalsContact C-N 3.25Å; V172-F174 PolarHBondContact O-N 3.03Å; V172-Q175 PolarHBondContact O-N 2.93Å; V172-Q175 VanDerWaalsContact O-N 3.12Å; V172-K176 HydrophobicContact CG1-CD 4.43Å; V172-K176 WeakPolarHBondContact O-CG 3.22Å; V172-K176 PolarHBondContact O-N 3.03Å
173E94.4Very high92.4Very high122 Ų12252.1 Ų52.157%0.5726%0.255SS*.Hα-helixtrans-62.9-31.1-179.3-66.2-53.3124.500113.3K171 K176 K177K171-E173 VanDerWaalsContact C-N 3.34Å; K171-E173 PolarHBondContact O-N 3.01Å; E173-K176 IonicContact OE1-NZ 3.27Å; E173-K176 PolarHBondContact OE1-NZ 2.99Å; E173-K177 PolarHBondContact O-N 3.25Å
174F96.1Very high92.9Very high32 Ų3252.8 Ų52.814%0.1426%0.258CS..Hα-helixtrans-74.1-43.5173.8-174.5-106.9000111.3Y124 A127 K128 Y169 K171 V172 K176 K177 V178Y124-F174 AromaticContact CD1-CE1 3.9Å; Y124-F174 HydrophobicContact CD1-CE1 3.9Å; Y124-F174 HydrophobicContact CE1-CE1 4.49Å; A127-F174 HydrophobicContact CB-CE2 3.93Å; A127-F174 HydrophobicContact CB-CZ 4.07Å; K128-F174 HydrophobicContact CG-CE2 3.66Å; K128-F174 HydrophobicContact CG-CZ 3.79Å; Y169-F174 HydrophobicContact CD1-CD1 4.16Å; Y169-F174 AromaticContact CD1-CE1 3.47Å; Y169-F174 HydrophobicContact CD1-CE1 3.47Å; Y169-F174 VanDerWaalsContact CD1-CE1 3.47Å; Y169-F174 AromaticContact CD1-CZ 3.95Å; Y169-F174 HydrophobicContact CD1-CZ 3.95Å; Y169-F174 HydrophobicContact CE1-CE1 4.29Å; Y169-F174 HydrophobicContact CE1-CZ 4.37Å; Y169-F174 HydrophobicContact CG-CD1 4.33Å; Y169-F174 AromaticContact CG-CE1 3.7Å; Y169-F174 HydrophobicContact CG-CE1 3.7Å; Y169-F174 WeakPolarHBondContact O-CD1 3.43Å; K171-F174 HydrophobicContact CB-CB 4.11Å; K171-F174 WeakPolarHBondContact O-CA 3.21Å; K171-F174 WeakPolarHBondContact O-CB 3.42Å; K171-F174 PolarHBondContact O-N 3.3Å; V172-F174 VanDerWaalsContact C-N 3.25Å; V172-F174 PolarHBondContact O-N 3.03Å; F174-K176 VanDerWaalsContact C-N 3.27Å; F174-K176 PolarHBondContact O-N 3.47Å; F174-K177 WeakPolarHBondContact O-CB 3.33Å; F174-K177 PolarHBondContact O-N 3.18Å; F174-V178 HydrophobicContact CD1-CG2 4Å; F174-V178 HydrophobicContact CE1-CG2 3.67Å; F174-V178 HydrophobicContact CZ-CG2 4.01Å; F174-V178 WeakPolarHBondContact O-CG2 3.45Å; F174-V178 PolarHBondContact O-N 3.02Å
175Q95.6Very high93.1Very high0 Ų056.5 Ų56.50%028%0.275CS..Hα-helixtrans-61.5-34.4177.4-66.8-66.3-47.600112.2L15 D16 A155 F164 Y169 K171 V172 V178 Y179L15-Q175 HydrophobicContact CD1-CB 4.32Å; D16-Q175 PolarHBondContact OD2-NE2 2.73Å; A155-Q175 HydrophobicContact CB-CB 3.84Å; F164-Q175 HydrophobicContact CE2-CG 4.47Å; F164-Q175 HydrophobicContact CZ-CG 4.28Å; Y169-Q175 PolarHBondContact O-NE2 3.34Å; K171-Q175 WeakPolarHBondContact O-CG 3.47Å; K171-Q175 PolarHBondContact O-N 3.33Å; V172-Q175 PolarHBondContact O-N 2.93Å; V172-Q175 VanDerWaalsContact O-N 3.12Å; Q175-V178 PolarHBondContact O-N 3.21Å; Q175-Y179 WeakPolarHBondContact O-CB 3.5Å; Q175-Y179 PolarHBondContact O-N 3.27Å
176K95.6Very high93Very high68 Ų6855.6 Ų55.630%0.29626%0.263SS..Hα-helixtrans-59.3-44.7170.4-73174.6-179.5167.20112.3A155 E156 V172 E173 F174 Y179 N180A155-K176 HydrophobicContact CB-CG 4.09Å; E156-K176 WeakPolarHBondContact OE1-CE 3.28Å; E156-K176 IonicContact OE1-NZ 3.47Å; E156-K176 PolarHBondContact OE1-NZ 2.71Å; V172-K176 HydrophobicContact CG1-CD 4.43Å; V172-K176 WeakPolarHBondContact O-CG 3.22Å; V172-K176 PolarHBondContact O-N 3.03Å; E173-K176 IonicContact OE1-NZ 3.27Å; E173-K176 PolarHBondContact OE1-NZ 2.99Å; F174-K176 VanDerWaalsContact C-N 3.27Å; F174-K176 PolarHBondContact O-N 3.47Å; K176-Y179 WeakPolarHBondContact O-CB 3.45Å; K176-Y179 PolarHBondContact O-N 2.98Å; K176-N180 PolarHBondContact O-N 3.42Å; K176-N180 VanDerWaalsContact O-N 3.13Å; K176-N180 PolarHBondContact O-OD1 2.95Å
177K96.7Very high92.7Very high123 Ų12356.1 Ų56.154%0.53526%0.259SS..Hα-helixtrans-62-45.6175.3-66178.1-178.9-175.60111.2A127 E173 F174 Y179 N180 I181A127-K177 HydrophobicContact CB-CB 3.97Å; E173-K177 PolarHBondContact O-N 3.25Å; F174-K177 WeakPolarHBondContact O-CB 3.33Å; F174-K177 PolarHBondContact O-N 3.18Å; K177-Y179 VanDerWaalsContact C-N 3.32Å; K177-Y179 PolarHBondContact O-N 3.05Å; K177-N180 PolarHBondContact O-N 3.07Å; K177-I181 WeakPolarHBondContact O-CG1 3.44Å; K177-I181 PolarHBondContact O-N 3.12Å; K177-I181 VanDerWaalsContact O-N 3.11Å
178V97Very high92.1Very high0 Ų058 Ų580%027%0.271CS..Hα-helixtrans-59.4-43.7177.5175.80000111.2L15 A123 Y124 A127 F174 Q175 N180 I181 F182L15-V178 HydrophobicContact CD2-CB 4.08Å; L15-V178 HydrophobicContact CD2-CG1 3.78Å; A123-V178 HydrophobicContact CB-CG1 4.24Å; Y124-V178 HydrophobicContact CD1-CG2 4.1Å; Y124-V178 HydrophobicContact CD2-CG1 3.68Å; Y124-V178 HydrophobicContact CD2-CG2 4.45Å; Y124-V178 HydrophobicContact CE1-CG1 4.48Å; Y124-V178 HydrophobicContact CE1-CG2 4.38Å; Y124-V178 HydrophobicContact CE2-CG1 3.57Å; Y124-V178 HydrophobicContact CG-CG1 4.22Å; Y124-V178 HydrophobicContact CG-CG2 4.16Å; A127-V178 HydrophobicContact CB-CB 4.39Å; A127-V178 HydrophobicContact CB-CG2 3.58Å; F174-V178 HydrophobicContact CD1-CG2 4Å; F174-V178 HydrophobicContact CE1-CG2 3.67Å; F174-V178 HydrophobicContact CZ-CG2 4.01Å; F174-V178 WeakPolarHBondContact O-CG2 3.45Å; F174-V178 PolarHBondContact O-N 3.02Å; Q175-V178 PolarHBondContact O-N 3.21Å; V178-N180 PolarHBondContact O-N 3.37Å; V178-I181 PolarHBondContact O-N 2.7Å; V178-F182 HydrophobicContact CG1-CD2 3.7Å; V178-F182 HydrophobicContact CG1-CE2 3.57Å; V178-F182 WeakPolarHBondContact O-CD2 3.47Å; V178-F182 PolarHBondContact O-N 3.4Å
179Y95.3Very high91.7Very high42 Ų4260.7 Ų60.717%0.16529%0.291CS..Hα-helixtrans-57.3-48.9177.2-173.8-93.4000112L15 F150 D152 Q175 K176 K177 I181 F182 M183L15-Y179 HydrophobicContact CD1-CD2 3.92Å; L15-Y179 HydrophobicContact CD1-CG 4.44Å; L15-Y179 HydrophobicContact CD2-CD2 4.47Å; L15-Y179 HydrophobicContact CG-CD2 4.2Å; F150-Y179 HydrophobicContact CE1-CD2 4.47Å; F150-Y179 HydrophobicContact CE1-CE2 4.04Å; F150-Y179 HydrophobicContact CZ-CD2 4.25Å; F150-Y179 HydrophobicContact CZ-CE2 4.28Å; D152-Y179 WeakPolarHBondContact OD1-CE2 3.48Å; D152-Y179 PolarHBondContact OD1-OH 3.43Å; Q175-Y179 WeakPolarHBondContact O-CB 3.5Å; Q175-Y179 PolarHBondContact O-N 3.27Å; K176-Y179 WeakPolarHBondContact O-CB 3.45Å; K176-Y179 PolarHBondContact O-N 2.98Å; K177-Y179 VanDerWaalsContact C-N 3.32Å; K177-Y179 PolarHBondContact O-N 3.05Å; Y179-I181 VanDerWaalsContact C-N 3.32Å; Y179-I181 PolarHBondContact O-N 2.92Å; Y179-F182 WeakPolarHBondContact O-CB 3.48Å; Y179-F182 PolarHBondContact O-N 3.43Å; Y179-F182 VanDerWaalsContact O-N 3.14Å; Y179-M183 HydrophobicContact CD1-CG 4Å; Y179-M183 HydrophobicContact CE1-CG 3.54Å; Y179-M183 HydrophobicContact CE2-CG 4.33Å; Y179-M183 PolarHBondContact O-N 3.36Å
180N95.3Very high91.3Very high86 Ų8661 Ų6146%0.4629%0.294SS..Hα-helixtrans-60.5-43.1178.7-64.8-13000111.1K176 K177 V178 F182 M183 D184K176-N180 PolarHBondContact O-N 3.42Å; K176-N180 VanDerWaalsContact O-N 3.13Å; K176-N180 PolarHBondContact O-OD1 2.95Å; K177-N180 PolarHBondContact O-N 3.07Å; V178-N180 PolarHBondContact O-N 3.37Å; N180-F182 VanDerWaalsContact C-N 3.34Å; N180-F182 PolarHBondContact O-N 3.47Å; N180-M183 PolarHBondContact O-N 3.19Å; N180-D184 WeakPolarHBondContact O-CB 2.78Å; N180-D184 PolarHBondContact O-N 2.88Å
181I95.7Very high91.2Very high25 Ų2561 Ų6113%0.12829%0.293CS..Hα-helixtrans-61.7-42.1176-60.6-63.2000111.5A123 A126 A127 K177 V178 Y179 K185 V186A123-I181 HydrophobicContact CB-CB 4.45Å; A123-I181 HydrophobicContact CB-CG2 4.08Å; A126-I181 HydrophobicContact CB-CD1 4.43Å; A126-I181 HydrophobicContact CB-CG1 4.49Å; A126-I181 HydrophobicContact CB-CG2 4.17Å; A127-I181 HydrophobicContact CB-CG1 4.43Å; K177-I181 WeakPolarHBondContact O-CG1 3.44Å; K177-I181 PolarHBondContact O-N 3.12Å; K177-I181 VanDerWaalsContact O-N 3.11Å; V178-I181 PolarHBondContact O-N 2.7Å; Y179-I181 VanDerWaalsContact C-N 3.32Å; Y179-I181 PolarHBondContact O-N 2.92Å; I181-K185 HydrophobicContact CD1-CD 4.08Å; I181-K185 HydrophobicContact CG2-CB 4.43Å; I181-K185 WeakPolarHBondContact O-CB 3.46Å; I181-K185 PolarHBondContact O-N 2.7Å; I181-V186 HydrophobicContact CG2-CG2 3.86Å; I181-V186 WeakPolarHBondContact O-CG2 3.35Å; I181-V186 PolarHBondContact O-N 2.66Å; I181-V186 VanDerWaalsContact O-N 3.12Å
182F94.8Very high91.1Very high0 Ų061 Ų610%029%0.29CS..Iπ-helixtrans-59.4-49.2175.9-87.2-59.8000112.5E13 L15 A123 Y124 F150 V178 Y179 N180 V186 R187 W191E13-F182 HydrophobicContact CB-CE1 4.38Å; L15-F182 HydrophobicContact CD2-CD2 4.4Å; A123-F182 HydrophobicContact CB-CD1 3.85Å; A123-F182 HydrophobicContact CB-CD2 3.83Å; A123-F182 HydrophobicContact CB-CE1 3.73Å; A123-F182 HydrophobicContact CB-CE2 3.7Å; A123-F182 HydrophobicContact CB-CG 3.92Å; A123-F182 HydrophobicContact CB-CZ 3.66Å; Y124-F182 HydrophobicContact CE2-CE2 4.09Å; Y124-F182 HydrophobicContact CE2-CZ 4.44Å; F150-F182 HydrophobicContact CD2-CD1 4.4Å; F150-F182 HydrophobicContact CD2-CG 4.41Å; F150-F182 HydrophobicContact CE2-CB 3.73Å; F150-F182 AromaticContact CE2-CD1 3.95Å; F150-F182 HydrophobicContact CE2-CD1 3.95Å; F150-F182 AromaticContact CE2-CD2 3.73Å; F150-F182 HydrophobicContact CE2-CD2 3.73Å; F150-F182 HydrophobicContact CE2-CE1 4.43Å; F150-F182 HydrophobicContact CE2-CE2 4.24Å; F150-F182 AromaticContact CE2-CG 3.56Å; F150-F182 HydrophobicContact CE2-CG 3.56Å; F150-F182 HydrophobicContact CZ-CB 4.07Å; F150-F182 HydrophobicContact CZ-CD2 4.28Å; F150-F182 HydrophobicContact CZ-CG 4.26Å; V178-F182 HydrophobicContact CG1-CD2 3.7Å; V178-F182 HydrophobicContact CG1-CE2 3.57Å; V178-F182 WeakPolarHBondContact O-CD2 3.47Å; V178-F182 PolarHBondContact O-N 3.4Å; Y179-F182 WeakPolarHBondContact O-CB 3.48Å; Y179-F182 PolarHBondContact O-N 3.43Å; Y179-F182 VanDerWaalsContact O-N 3.14Å; N180-F182 VanDerWaalsContact C-N 3.34Å; N180-F182 PolarHBondContact O-N 3.47Å; F182-V186 HydrophobicContact CD1-CB 4.24Å; F182-V186 HydrophobicContact CD1-CG1 4.25Å; F182-R187 PolarHBondContact O-N 2.81Å; F182-R187 VanDerWaalsContact O-N 3.1Å; F182-W191 AromaticContact CD1-CH2 3.77Å; F182-W191 HydrophobicContact CD1-CH2 3.77Å; F182-W191 HydrophobicContact CD1-CZ3 4.2Å; F182-W191 HydrophobicContact CE1-CH2 4.15Å
183M91.6Very high90.7Very high37 Ų3761.9 Ų61.918%0.18230%0.295CS..Iπ-helixtrans-72.4-40.9-175.7-67.8-56.299.800112.8F150 Y179 N180F150-M183 HydrophobicContact CD1-CE 3.48Å; F150-M183 VanDerWaalsContact CD1-CE 3.48Å; F150-M183 HydrophobicContact CD2-CE 4.11Å; F150-M183 HydrophobicContact CE1-CE 3.21Å; F150-M183 HydrophobicContact CE1-SD 4.37Å; F150-M183 HydrophobicContact CE2-CE 3.87Å; F150-M183 HydrophobicContact CG-CE 3.91Å; F150-M183 HydrophobicContact CZ-CE 3.42Å; F150-M183 VanDerWaalsContact CZ-CE 3.42Å; Y179-M183 HydrophobicContact CD1-CG 4Å; Y179-M183 HydrophobicContact CE1-CG 3.54Å; Y179-M183 HydrophobicContact CE2-CG 4.33Å; Y179-M183 PolarHBondContact O-N 3.36Å; N180-M183 PolarHBondContact O-N 3.19Å
184D91.1Very high90.2Very high130 Ų13061.9 Ų61.970%0.69529%0.29SS*.Iπ-helixtrans-90.8-31.5-169.6-60.4-20.6000113N180N180-D184 WeakPolarHBondContact O-CB 2.78Å; N180-D184 PolarHBondContact O-N 2.88Å
185K87.4Confident89.2Confident111 Ų11165.3 Ų65.348%0.48331%0.314SS..Iπ-helixtrans-122.6-32.6-169.4-59.3-167.6175.8-172.20115.4Y132 I181Y132-K185 HydrophobicContact CD2-CB 3.91Å; Y132-K185 HydrophobicContact CD2-CD 3.75Å; Y132-K185 HydrophobicContact CE2-CB 3.46Å; Y132-K185 VanDerWaalsContact CE2-CB 3.46Å; Y132-K185 HydrophobicContact CE2-CD 4.21Å; Y132-K185 HydrophobicContact CE2-CG 4.49Å; Y132-K185 HydrophobicContact CG-CD 4.05Å; Y132-K185 PolarHBondContact OH-O 3Å; I181-K185 HydrophobicContact CD1-CD 4.08Å; I181-K185 HydrophobicContact CG2-CB 4.43Å; I181-K185 WeakPolarHBondContact O-CB 3.46Å; I181-K185 PolarHBondContact O-N 2.7Å
186V83.8Confident87.5Confident9 Ų965.7 Ų65.76%0.05532%0.317CS..Iπ-helixtrans-97.2-27.2-169.7-175.50000112.5Y119 I122 A123 Y132 I181 F182 D188 W191Y119-V186 HydrophobicContact CD1-CG1 3.56Å; Y119-V186 HydrophobicContact CG-CG1 4.02Å; I122-V186 HydrophobicContact CG2-CG2 4.12Å; A123-V186 HydrophobicContact CB-CG2 4.3Å; Y132-V186 HydrophobicContact CE2-CG2 3.87Å; I181-V186 HydrophobicContact CG2-CG2 3.86Å; I181-V186 WeakPolarHBondContact O-CG2 3.35Å; I181-V186 PolarHBondContact O-N 2.66Å; I181-V186 VanDerWaalsContact O-N 3.12Å; F182-V186 HydrophobicContact CD1-CB 4.24Å; F182-V186 HydrophobicContact CD1-CG1 4.25Å; V186-D188 PolarHBondContact O-N 2.8Å; V186-W191 HydrophobicContact CB-CH2 4.46Å; V186-W191 HydrophobicContact CG1-CH2 3.93Å; V186-W191 HydrophobicContact CG1-CZ2 3.79Å
187R83.5Confident85.7Confident139 Ų13966.6 Ų66.653%0.52533%0.326SS..  trans-61133.9-179.5-176.2179.8177.1-179.8-0.4112F182 W191F182-R187 PolarHBondContact O-N 2.81Å; F182-R187 VanDerWaalsContact O-N 3.1Å; R187-W191 HydrophobicContact CB-CD2 4.3Å; R187-W191 HydrophobicContact CB-CE3 4.2Å; R187-W191 HydrophobicContact CG-CB 4.07Å; R187-W191 HydrophobicContact CG-CD2 4.09Å; R187-W191 HydrophobicContact CG-CE3 4.1Å; R187-W191 HydrophobicContact CG-CG 4.07Å
188D80Confident83.3Confident76 Ų7666.3 Ų66.341%0.40633%0.33SS..  trans-130.5173.1176.2-165.6-3.7000110.9R144 V186 N190 W191R144-D188 IonicContact CZ-OD2 2.9Å; R144-D188 IonicContact NH1-OD2 2.91Å; R144-D188 IonicContact NH2-OD2 3.32Å; R144-D188 PolarHBondContact NH2-OD2 3.3Å; V186-D188 PolarHBondContact O-N 2.8Å; D188-N190 VanDerWaalsContact C-N 3.28Å; D188-N190 PolarHBondContact O-N 2.8Å; D188-W191 WeakPolarHBondContact O-CB 3.22Å; D188-W191 PolarHBondContact O-N 3.19Å
189S82.9Confident80.7Confident93 Ų9367.6 Ų67.665%0.6534%0.341SS*.THydrogen-bonded Turntrans-51.9-31.3-178.753.30000116W191 R192S189-W191 VanDerWaalsContact C-N 3.25Å; S189-W191 PolarHBondContact O-N 3.26Å; S189-R192 PolarHBondContact O-NH1 2.78Å
190N84.1Confident78.1Confident21 Ų2172.5 Ų72.511%0.11238%0.375CS..THydrogen-bonded Turntrans-83.54.6177.567.3-37000113.8R144 P145 V148 D188R144-N190 PolarHBondContact NH2-OD1 3.21Å; R144-N190 VanDerWaalsContact NH2-OD1 3.15Å; P145-N190 PolarHBondContact O-ND2 2.89Å; V148-N190 PolarHBondContact N-O 2.84Å; D188-N190 VanDerWaalsContact C-N 3.28Å; D188-N190 PolarHBondContact O-N 2.8Å
191W90Very high75.1Confident8 Ų872.7 Ų72.73%0.0338%0.379CS..EExtended strand (participates in β ladder)trans-80.6143.4179.2-71.548.2000112.2E13 Y119 V148 F150 F182 V186 R187 D188 S189E13-W191 HydrophobicContact CB-CH2 4.5Å; Y119-W191 AromaticContact CD1-CZ2 3.69Å; Y119-W191 HydrophobicContact CD1-CZ2 3.69Å; Y119-W191 HydrophobicContact CD2-CZ2 4.13Å; Y119-W191 HydrophobicContact CE1-CZ2 4.1Å; Y119-W191 HydrophobicContact CG-CH2 4.31Å; Y119-W191 AromaticContact CG-CZ2 3.68Å; Y119-W191 HydrophobicContact CG-CZ2 3.68Å; V148-W191 HydrophobicContact CB-CD2 4.02Å; V148-W191 HydrophobicContact CB-CG 3.95Å; V148-W191 HydrophobicContact CG1-CD2 3.81Å; V148-W191 HydrophobicContact CG1-CE3 4.21Å; V148-W191 HydrophobicContact CG1-CG 4.28Å; V148-W191 HydrophobicContact CG1-CH2 4.18Å; V148-W191 HydrophobicContact CG1-CZ2 3.8Å; V148-W191 HydrophobicContact CG1-CZ3 4.4Å; V148-W191 CarbonylContact O-C 3.56Å; V148-W191 VanDerWaalsContact O-CA 3.3Å; V148-W191 WeakPolarHBondContact O-CA 3.24Å; F150-W191 HydrophobicContact CB-CE3 3.85Å; F150-W191 HydrophobicContact CB-CZ3 3.92Å; F150-W191 HydrophobicContact CD2-CE3 4.39Å; F150-W191 HydrophobicContact CD2-CH2 4.44Å; F150-W191 AromaticContact CD2-CZ3 3.61Å; F150-W191 HydrophobicContact CD2-CZ3 3.61Å; F150-W191 HydrophobicContact CE2-CZ3 4.45Å; F150-W191 HydrophobicContact CG-CE3 4.38Å; F150-W191 HydrophobicContact CG-CZ3 4.03Å; F182-W191 AromaticContact CD1-CH2 3.77Å; F182-W191 HydrophobicContact CD1-CH2 3.77Å; F182-W191 HydrophobicContact CD1-CZ3 4.2Å; F182-W191 HydrophobicContact CE1-CH2 4.15Å; V186-W191 HydrophobicContact CB-CH2 4.46Å; V186-W191 HydrophobicContact CG1-CH2 3.93Å; V186-W191 HydrophobicContact CG1-CZ2 3.79Å; R187-W191 HydrophobicContact CB-CD2 4.3Å; R187-W191 HydrophobicContact CB-CE3 4.2Å; R187-W191 HydrophobicContact CG-CB 4.07Å; R187-W191 HydrophobicContact CG-CD2 4.09Å; R187-W191 HydrophobicContact CG-CE3 4.1Å; R187-W191 HydrophobicContact CG-CG 4.07Å; D188-W191 WeakPolarHBondContact O-CB 3.22Å; D188-W191 PolarHBondContact O-N 3.19Å; S189-W191 VanDerWaalsContact C-N 3.25Å; S189-W191 PolarHBondContact O-N 3.26Å
192R89.9Confident72.3Confident135 Ų13576.9 Ų76.951%0.50941%0.411SS..EExtended strand (participates in β ladder)trans-125.3104.4172.4-60.3-62.9177.8-104.22.3107.5I147 V148 I149 F150 S189I147-R192 HydrophobicContact CG2-CG 4.12Å; V148-R192 PolarHBondContact O-N 2.96Å; I149-R192 WeakPolarHBondContact CA-O 3.48Å; F150-R192 PolarHBondContact N-O 3.09Å; S189-R192 PolarHBondContact O-NH1 2.78Å
193V84.1Confident69.5Low43 Ų4380 Ų8026%0.26143%0.433SS..EExtended strand (participates in β ladder)trans-81.2128.1178.4-176.10000108.4F150 D152F150-V193 HydrophobicContact CD1-CG1 4.34Å; D152-V193 HydrophobicContact CB-CG1 3.72Å
194R82.5Confident66.8Low122 Ų12281 Ų8146%0.4644%0.443SS..EExtended strand (participates in β ladder)trans-130.9122-179.2-65-61.5-168.8-1686.8109.4I149 F150 D152 G196I149-R194 HydrophobicContact CG2-CG 4.11Å; F150-R194 PolarHBondContact O-N 2.91Å; D152-R194 PolarHBondContact N-O 3.12Å; R194-G196 PolarHBondContact O-N 3.26Å
195T75.1Confident64.3Low103 Ų10376.6 Ų76.663%0.63242%0.421SS*.EExtended strand (participates in β ladder)trans-62.4123.1175.5-46.20000110.1D197T195-D197 HydrophobicContact CG2-CB 4.18Å; T195-D197 WeakPolarHBondContact CG2-OD2 3.3Å
196G61.7Low61.8Low8 Ų872.4 Ų72.48%0.08241%0.408CS..  trans-92.613.4-174.900000114.9D152 R161 R194 N198 A199D152-G196 PolarHBondContact O-N 2.82Å; R161-G196 PolarHBondContact NH2-O 2.81Å; R194-G196 PolarHBondContact O-N 3.26Å; G196-N198 PolarHBondContact O-N 3.02Å; G196-A199 WeakPolarHBondContact O-CB 3.36Å; G196-A199 PolarHBondContact O-N 3.34Å
197D56.7Low59.9Low88 Ų8873.7 Ų73.747%0.47141%0.412SS..THydrogen-bonded Turntrans-70-15.3-175.4-65.9-22.1000113.3T195T195-D197 HydrophobicContact CG2-CB 4.18Å; T195-D197 WeakPolarHBondContact CG2-OD2 3.3Å
198N47.1Very low57.5Low117 Ų11770.7 Ų70.763%0.62640%0.403SS*.THydrogen-bonded Turntrans-106.623176.8-71.8-21.7000114.2G196 T200 T201G196-N198 PolarHBondContact O-N 3.02Å; N198-T200 PolarHBondContact O-N 3.19Å; N198-T201 PolarHBondContact O-N 3.06Å; N198-T201 VanDerWaalsContact O-N 3.12Å; N198-T201 PolarHBondContact O-OG1 3.41Å
199A42.7Very low55.2Low27 Ų2771 Ų7122%0.22341%0.41CS..THydrogen-bonded Turntrans-61.4-2.9-171.200000116.6G196G196-A199 WeakPolarHBondContact O-CB 3.36Å; G196-A199 PolarHBondContact O-N 3.34Å
200T40.5Very low52.8Low145 Ų14571.7 Ų71.789%0.8942%0.42SS*.THydrogen-bonded Turntrans-103.9-8.3177.334.50000115N198N198-T200 PolarHBondContact O-N 3.19Å
201T32.6Very low50.2Low89 Ų8973.2 Ų73.255%0.54643%0.429SS..SBendtrans-102.4138.8176.636.50000111.2N198 S203N198-T201 PolarHBondContact O-N 3.06Å; N198-T201 VanDerWaalsContact O-N 3.12Å; N198-T201 PolarHBondContact O-OG1 3.41Å; T201-S203 PolarHBondContact O-N 3.43Å
202S36.7Very low47.6Very low114 Ų11481.1 Ų81.180%0.79746%0.458SS*.  trans-59.629.5177.261.90000115.5S204S202-S204 PolarHBondContact O-N 3.27Å
203S35.1Very low45.1Very low65 Ų6583.9 Ų83.946%0.45547%0.469SS..  trans-61.2109.5174.456.70000108.4T201 V205T201-S203 PolarHBondContact O-N 3.43Å; S203-V205 PolarHBondContact O-N 3.48Å; S203-V205 VanDerWaalsContact O-N 3.15Å
204S34.2Very low42.9Very low58 Ų5887.7 Ų87.741%0.40648%0.48SS..  trans-46.8121.3162.555.20000107.4S202 F229S202-S204 PolarHBondContact O-N 3.27Å; S204-F229 CarbonylContact C-O 3.59Å; S204-F229 PolarHBondContact OG-O 3.17Å
205V38.8Very low40.6Very low37 Ų3787.1 Ų87.122%0.22449%0.489CS..  trans-99.8116.6172.9177.10000105.8S203 F207S203-V205 PolarHBondContact O-N 3.48Å; S203-V205 VanDerWaalsContact O-N 3.15Å; V205-F207 HydrophobicContact CB-CD2 4.16Å; V205-F207 HydrophobicContact CB-CE1 3.96Å; V205-F207 HydrophobicContact CB-CE2 3.56Å; V205-F207 HydrophobicContact CB-CZ 3.47Å; V205-F207 VanDerWaalsContact CB-CZ 3.47Å; V205-F207 HydrophobicContact CG1-CD1 3.82Å; V205-F207 HydrophobicContact CG1-CD2 4.27Å; V205-F207 HydrophobicContact CG1-CE1 3.4Å; V205-F207 VanDerWaalsContact CG1-CE1 3.4Å; V205-F207 HydrophobicContact CG1-CE2 3.92Å; V205-F207 HydrophobicContact CG1-CG 4.27Å; V205-F207 HydrophobicContact CG1-CZ 3.48Å; V205-F207 VanDerWaalsContact CG1-CZ 3.48Å; V205-F207 HydrophobicContact CG2-CZ 4.21Å; V205-F207 WeakPolarHBondContact O-CD2 3.22Å; V205-F207 WeakPolarHBondContact O-CE2 3.4Å; V205-F207 PolarHBondContact O-N 3.05Å
206A35.1Very low38.7Very low24 Ų2485.4 Ų85.420%0.19849%0.492CS..  trans-60.5110.1165.100000109.7F228 F229A206-F228 WeakPolarHBondContact CB-O 3.3Å; A206-F229 WeakPolarHBondContact CB-OXT 3.34Å; A206-F229 VanDerWaalsContact N-C 3.26Å; A206-F229 PolarHBondContact N-O 3.3Å; A206-F229 PolarHBondContact N-OXT 3.01Å
207F43.6Very low37.1Very low35 Ų3594.7 Ų94.715%0.15453%0.525CS..  trans-94.7-15.8176.4-68.4-69000113.5L27 I149 V205L27-F207 HydrophobicContact CB-CE2 4.27Å; L27-F207 HydrophobicContact CD1-CB 4.28Å; L27-F207 HydrophobicContact CD1-CD2 3.43Å; L27-F207 VanDerWaalsContact CD1-CD2 3.43Å; L27-F207 HydrophobicContact CD1-CE2 3.86Å; L27-F207 HydrophobicContact CD1-CG 3.96Å; L27-F207 HydrophobicContact CD2-CD1 4.45Å; L27-F207 HydrophobicContact CD2-CD2 4.32Å; L27-F207 HydrophobicContact CD2-CE2 4.43Å; L27-F207 HydrophobicContact CD2-CG 4.28Å; L27-F207 HydrophobicContact CG-CD2 4.34Å; L27-F207 HydrophobicContact CG-CE2 4.41Å; I149-F207 HydrophobicContact CD1-CD1 3.34Å; I149-F207 HydrophobicContact CD1-CE1 3.51Å; V205-F207 HydrophobicContact CB-CD2 4.16Å; V205-F207 HydrophobicContact CB-CE1 3.96Å; V205-F207 HydrophobicContact CB-CE2 3.56Å; V205-F207 HydrophobicContact CB-CZ 3.47Å; V205-F207 VanDerWaalsContact CB-CZ 3.47Å; V205-F207 HydrophobicContact CG1-CD1 3.82Å; V205-F207 HydrophobicContact CG1-CD2 4.27Å; V205-F207 HydrophobicContact CG1-CE1 3.4Å; V205-F207 VanDerWaalsContact CG1-CE1 3.4Å; V205-F207 HydrophobicContact CG1-CE2 3.92Å; V205-F207 HydrophobicContact CG1-CG 4.27Å; V205-F207 HydrophobicContact CG1-CZ 3.48Å; V205-F207 VanDerWaalsContact CG1-CZ 3.48Å; V205-F207 HydrophobicContact CG2-CZ 4.21Å; V205-F207 WeakPolarHBondContact O-CD2 3.22Å; V205-F207 WeakPolarHBondContact O-CE2 3.4Å; V205-F207 PolarHBondContact O-N 3.05Å
208F34.2Very low35.8Very low77 Ų77102.6 Ų102.634%0.33855%0.548SS..SBendtrans-119.6128.2-178.4-62.4-74000111.3I8 L31 A210I8-F208 HydrophobicContact CB-CE1 4.47Å; I8-F208 HydrophobicContact CD1-CD1 3.92Å; I8-F208 HydrophobicContact CD1-CE1 3.44Å; I8-F208 VanDerWaalsContact CD1-CE1 3.44Å; I8-F208 HydrophobicContact CD1-CZ 4.37Å; I8-F208 HydrophobicContact CG2-CE1 4.28Å; L31-F208 HydrophobicContact CD2-CE2 4.12Å; F208-A210 PolarHBondContact O-N 3.34Å
209P30.6Very low35.1Very low83 Ų83101.6 Ų101.654%0.53956%0.556SS.*  trans-59.1141.6164.826.3-31.3000108.3D211P209-D211 HydrophobicContact CB-CB 4.35Å; P209-D211 HydrophobicContact CG-CB 4.46Å; P209-D211 PolarHBondContact O-N 2.96Å
210A33.1Very low34.4Very low106 Ų106106.4 Ų106.488%0.87659%0.588SS**SBendtrans-63.718.1176.200000114.2F208 R212F208-A210 PolarHBondContact O-N 3.34Å; A210-R212 PolarHBondContact O-N 3.26Å
211D29.7Very low34.1Very low53 Ų53104.6 Ų104.628%0.28358%0.581SS.*  trans-70.8115.2179.4-161.4-27.9000109.7P209 R213 Y214P209-D211 HydrophobicContact CB-CB 4.35Å; P209-D211 HydrophobicContact CG-CB 4.46Å; P209-D211 PolarHBondContact O-N 2.96Å; D211-R213 VanDerWaalsContact CG-NE 3.27Å; D211-R213 PolarHBondContact O-N 2.96Å; D211-R213 VanDerWaalsContact OD1-CG 3.27Å; D211-R213 WeakPolarHBondContact OD1-CG 3.33Å; D211-R213 PolarHBondContact OD1-N 3.29Å; D211-R213 IonicContact OD1-NE 3.05Å; D211-R213 PolarHBondContact OD1-NE 2.96Å; D211-R213 IonicContact OD2-CZ 3.14Å; D211-R213 IonicContact OD2-NE 2.88Å; D211-R213 PolarHBondContact OD2-NE 3.36Å; D211-R213 IonicContact OD2-NH2 2.63Å; D211-R213 PolarHBondContact OD2-NH2 3.08Å; D211-Y214 PolarHBondContact O-N 2.85Å
212R35.5Very low33.9Very low174 Ų174109.4 Ų109.466%0.65760%0.597SS**G310 helixtrans-60.9-5.4-177.7-71-177.1179-176.63.8113.7A210 Y214A210-R212 PolarHBondContact O-N 3.26Å; R212-Y214 VanDerWaalsContact C-N 3.3Å; R212-Y214 PolarHBondContact O-N 2.85Å
213R36.4Very low33.6Very low193 Ų193115.9 Ų115.973%0.72860%0.604SS**G310 helixtrans-69-19.9178-69.5-175.7-76.4172.4-2114.4D211D211-R213 VanDerWaalsContact CG-NE 3.27Å; D211-R213 PolarHBondContact O-N 2.96Å; D211-R213 VanDerWaalsContact OD1-CG 3.27Å; D211-R213 WeakPolarHBondContact OD1-CG 3.33Å; D211-R213 PolarHBondContact OD1-N 3.29Å; D211-R213 IonicContact OD1-NE 3.05Å; D211-R213 PolarHBondContact OD1-NE 2.96Å; D211-R213 IonicContact OD2-CZ 3.14Å; D211-R213 IonicContact OD2-NE 2.88Å; D211-R213 PolarHBondContact OD2-NE 3.36Å; D211-R213 IonicContact OD2-NH2 2.63Å; D211-R213 PolarHBondContact OD2-NH2 3.08Å
214Y38.5Very low33.3Very low124 Ų124116.3 Ų116.349%0.48662%0.619SS.*G310 helixtrans-104.7-5.1-178.4-66.8-78.8000114.9I8 D211 R212I8-Y214 HydrophobicContact CD1-CD1 3.84Å; I8-Y214 HydrophobicContact CD1-CG 4.22Å; I8-Y214 HydrophobicContact CG1-CD1 4.21Å; D211-Y214 PolarHBondContact O-N 2.85Å; R212-Y214 VanDerWaalsContact C-N 3.3Å; R212-Y214 PolarHBondContact O-N 2.85Å
215V35.6Very low33Very low110 Ų110124.1 Ų124.167%0.66764%0.64SS**SBendtrans-101.697.2-178.8-168.50000108.7R217V215-R217 PolarHBondContact O-N 2.84Å
216G33.7Very low32.5Very low67 Ų67127.3 Ų127.369%0.69166%0.659SS**  trans-54109.7174.700000111.3R218G216-R218 PolarHBondContact O-N 3.36Å
217R28.9Very low32.1Very low202 Ų202130 Ų13076%0.76268%0.681SS**  trans-75.9106169.3-78.5-172.2-179.3-154.62.5109V215V215-R217 PolarHBondContact O-N 2.84Å
218R29Very low31.5Very low254 Ų254133.5 Ų133.596%0.95870%0.696SS**  trans-174.291.1138.4-102.8171.3-171.1-157.34.1111G216G216-R218 PolarHBondContact O-N 3.36Å
219A33.3Very low31.4Very low96 Ų96139.6 Ų139.679%0.79372%0.723SS**  trans-159111.7144.300000108.6S221A219-S221 PolarHBondContact O-N 2.89Å
220S28.3Very low31.4Very low128 Ų128142.4 Ų142.490%0.89573%0.732SS**  trans-69.197171.348.50000110.3
221S33.5Very low31.3Very low107 Ų107144.3 Ų144.375%0.74873%0.725SS**  trans-171.1130.7149.4580000109.4A219 R223A219-S221 PolarHBondContact O-N 2.89Å; S221-R223 PolarHBondContact O-N 3.45Å
222Q27.9Very low31.4Very low190 Ų190149.4 Ų149.489%0.88875%0.749SS**  trans-48117172.9-65.4170.5-25.700111.3
223R31Very low31.2Very low251 Ų251147.9 Ų147.995%0.94776%0.755SS**  trans-179.1123.9146-99.3158.7-164.1-1485.6111.3S221S221-R223 PolarHBondContact O-N 3.45Å
224G29.1Very low30.9Very low74 Ų74145.1 Ų145.176%0.76376%0.756SS**  trans66.686.615100000118.8V226G224-V226 PolarHBondContact O-N 3.05Å
225R27.5Very low30.4Very low222 Ų222146.5 Ų146.584%0.83877%0.774SS**  trans-74.7117.3152.8-79-178.1-179.5164.84.4108.1
226V28.4Very low30Very low103 Ų103149.1 Ų149.162%0.62478%0.782SS**  trans-116.2111.2162.1-172.10000107.6G224 F228G224-V226 PolarHBondContact O-N 3.05Å; V226-F228 HydrophobicContact CB-CD2 4.41Å; V226-F228 HydrophobicContact CB-CE2 3.93Å; V226-F228 HydrophobicContact CG1-CD2 3.73Å; V226-F228 HydrophobicContact CG1-CE1 4.19Å; V226-F228 HydrophobicContact CG1-CE2 3.32Å; V226-F228 HydrophobicContact CG1-CG 4.33Å; V226-F228 HydrophobicContact CG1-CZ 3.58Å
227A26.3Very low29.7Very low80 Ų80155.5 Ų155.566%0.66179%0.789SS**  trans-85.4123.4163.500000107
228F31.4Very low29.8Very low109 Ų109151.6 Ų151.648%0.47879%0.791SS.*  trans-97.3126.7170.1-74.1-86.1000108A206 V226A206-F228 WeakPolarHBondContact CB-O 3.3Å; V226-F228 HydrophobicContact CB-CD2 4.41Å; V226-F228 HydrophobicContact CB-CE2 3.93Å; V226-F228 HydrophobicContact CG1-CD2 3.73Å; V226-F228 HydrophobicContact CG1-CE1 4.19Å; V226-F228 HydrophobicContact CG1-CE2 3.32Å; V226-F228 HydrophobicContact CG1-CG 4.33Å; V226-F228 HydrophobicContact CG1-CZ 3.58Å
229F31.8Very low29.9Very low205 Ų205142.3 Ų142.390%0.89978%0.776SS**  trans-85.90170.8-68-86000110.7S204 A206S204-F229 CarbonylContact C-O 3.59Å; S204-F229 PolarHBondContact OG-O 3.17Å; A206-F229 WeakPolarHBondContact CB-OXT 3.34Å; A206-F229 VanDerWaalsContact N-C 3.26Å; A206-F229 PolarHBondContact N-O 3.3Å; A206-F229 PolarHBondContact N-OXT 3.01Å

Retrieved 229 of 229 residues in 246.8 ms (Link to these results)

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