A0A096N2N6_PAPAN Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A096N2N6, Species PAPAN (Papio anubis, Olive baboon), Gene BAP1, Length 729 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
1M34.1Very low79.1Confident239 Ų23985.8 Ų85.8100%1.17744%0.441SS*.  0132.70-64171.1-178.700108
2N47.4Very low80.6Confident134 Ų13479.8 Ų79.872%0.71741%0.412SS*.  trans-71.9136.6171.6-65.8-8000108.4G4N2-G4 PolarHBondContact O-N 3.25Å
3K61.7Low81.8Confident181 Ų18173.6 Ų73.679%0.78738%0.38SS*.  trans-76.834.3-175.9-64.2-171.4174.7-172.50113.7
4G83.6Confident82.9Confident41 Ų4168.4 Ų68.442%0.42335%0.353SS..  trans59.9-158.3-168.300000113N2 N142N2-G4 PolarHBondContact O-N 3.25Å; G4-N142 PolarHBondContact O-ND2 3.47Å
5W91.6Very high83.9Confident17 Ų1763.8 Ų63.86%0.06433%0.329CS..  trans-117.2133.8168.3-70.955.9000107.2I87 N89 T93 I131 L137 A138 H141 N142W5-I87 HydrophobicContact CB-CG2 4.21Å; W5-I87 HydrophobicContact CD2-CG2 4.48Å; W5-I87 HydrophobicContact CG-CG2 3.83Å; W5-N89 WeakPolarHBondContact O-CB 3.49Å; W5-N89 PolarHBondContact O-ND2 2.84Å; W5-T93 HydrophobicContact CH2-CG2 4.03Å; W5-T93 HydrophobicContact CZ3-CG2 3.81Å; W5-I131 HydrophobicContact CH2-CG2 4.11Å; W5-I131 HydrophobicContact CZ2-CG2 4.47Å; W5-L137 HydrophobicContact CH2-CB 4.09Å; W5-A138 HydrophobicContact CD2-CB 4.37Å; W5-A138 HydrophobicContact CH2-CB 4.48Å; W5-A138 HydrophobicContact CZ2-CB 3.73Å; W5-H141 HydrophobicContact CE3-CB 3.88Å; W5-H141 AromaticContact CE3-CD2 3.52Å; W5-H141 AromaticContact CE3-CE1 3.71Å; W5-H141 AromaticContact CE3-CG 3.42Å; W5-H141 VanDerWaalsContact CE3-CG 3.42Å; W5-H141 AromaticContact CE3-ND1 3.54Å; W5-H141 AromaticContact CE3-NE2 3.67Å; W5-H141 HydrophobicContact CZ3-CB 3.78Å; W5-H141 AromaticContact CZ3-CG 3.66Å; W5-H141 AromaticContact CZ3-ND1 3.62Å; W5-N142 WeakPolarHBondContact CA-OD1 3.39Å
6L91.6Very high84.8Confident30 Ų3059.9 Ų59.916%0.15731%0.309CS..PPolyproline II helixtrans-91.1161.3-175.8-61.4178.8000111.5N89 H141 N142 A145 E148L6-N89 WeakPolarHBondContact O-CB 3.27Å; L6-H141 PolarHBondContact O-NE2 3.48Å; L6-N142 HydrophobicContact CD1-CB 4.46Å; L6-N142 PolarHBondContact N-OD1 2.99Å; L6-A145 HydrophobicContact CB-CB 3.44Å; L6-A145 VanDerWaalsContact CB-CB 3.44Å; L6-A145 HydrophobicContact CD1-CB 3.83Å; L6-A145 HydrophobicContact CG-CB 4.27Å; L6-E148 HydrophobicContact CD2-CG 3.67Å
7E90.3Very high85.6Confident144 Ų14456.7 Ų56.767%0.67329%0.293SS*.PPolyproline II helixtrans-74.3130.4179-169.6173.4-163.800111.5
8L91.9Very high86.3Confident15 Ų1553.6 Ų53.68%0.07928%0.277CS..PPolyproline II helixtrans-102.5141.6175.2-69.7-173.6000112.2L14 L18 A92 H141 H144 A145L8-L14 HydrophobicContact CD1-CD2 3.99Å; L8-L14 HydrophobicContact CD2-CD1 4.35Å; L8-L14 HydrophobicContact CD2-CD2 4.22Å; L8-L18 HydrophobicContact CD1-CD2 3.84Å; L8-A92 HydrophobicContact CB-CB 4.35Å; L8-A92 HydrophobicContact CD1-CB 4.22Å; L8-H141 WeakPolarHBondContact CD1-CE1 3.01Å; L8-H141 VanDerWaalsContact CD1-ND1 3.34Å; L8-H141 WeakPolarHBondContact CD1-ND1 3.29Å; L8-H144 HydrophobicContact CD2-CB 4.1Å; L8-A145 HydrophobicContact CD2-CB 3.89Å
9E90.6Very high86.9Confident69 Ų6950.8 Ų50.832%0.32226%0.262SS..PPolyproline II helixtrans-76147.3172.9-64.2-177.4159.600111.7D11 F15 R146 R667E9-D11 PolarHBondContact O-N 3.38Å; E9-F15 WeakPolarHBondContact O-CE1 3.43Å; E9-R146 IonicContact OE1-CZ 2.95Å; E9-R146 IonicContact OE1-NE 3.08Å; E9-R146 PolarHBondContact OE1-NE 3.45Å; E9-R146 IonicContact OE1-NH2 3.86Å; E9-R146 PolarHBondContact OE1-NH2 3.05Å; E9-R146 IonicContact OE2-NH2 2.73Å; E9-R667 VanDerWaalsContact OE2-CD 3.29Å; E9-R667 WeakPolarHBondContact OE2-CD 3.41Å; E9-R667 IonicContact OE2-CZ 3.43Å; E9-R667 IonicContact OE2-NE 2.71Å; E9-R667 IonicContact OE2-NH1 3.56Å; E9-R667 PolarHBondContact OE2-NH1 3.16Å
10S92.8Very high87.4Confident37 Ų3751 Ų5126%0.25926%0.262SS..  trans-78.286.2173.6-173.90000111.1L49 N229 M231S10-L49 WeakPolarHBondContact OG-CD2 3.36Å; S10-N229 PolarHBondContact OG-ND2 3.08Å; S10-M231 WeakPolarHBondContact OG-CE 3.46Å
11D94.9Very high87.9Confident37 Ų3753.1 Ų53.120%0.19827%0.274CS..  trans-134126.9177.3165.2-137.1000110.9E9 G13 L14 F15 R667E9-D11 PolarHBondContact O-N 3.38Å; D11-G13 VanDerWaalsContact CG-N 3.33Å; D11-G13 PolarHBondContact O-N 3.46Å; D11-G13 PolarHBondContact OD1-N 3.32Å; D11-G13 PolarHBondContact OD2-N 3.5Å; D11-L14 HydrophobicContact CB-CB 4.04Å; D11-L14 PolarHBondContact O-N 3.02Å; D11-L14 PolarHBondContact OD1-N 3.01Å; D11-F15 WeakPolarHBondContact O-CD1 3.41Å; D11-F15 PolarHBondContact O-N 3.17Å; D11-R667 IonicContact OD1-CZ 3.44Å; D11-R667 IonicContact OD1-NH1 2.75Å; D11-R667 IonicContact OD1-NH2 2.65Å; D11-R667 PolarHBondContact OD1-NH2 3.3Å
12P96.5Very high90.9Very high13 Ų1342 Ų428%0.08422%0.219CC..Hα-helixtrans-60.5-26.8175.227.7-38.7000113T16 V29 E31 M231P12-T16 VanDerWaalsContact O-CB 3.28Å; P12-T16 WeakPolarHBondContact O-CB 3.27Å; P12-T16 PolarHBondContact O-N 2.9Å; P12-T16 PolarHBondContact O-OG1 3.4Å; P12-V29 HydrophobicContact CB-CG1 4.28Å; P12-V29 WeakPolarHBondContact CB-O 3.49Å; P12-E31 HydrophobicContact CB-CB 4.45Å; P12-E31 HydrophobicContact CG-CB 3.95Å; P12-M231 HydrophobicContact CB-SD 4.22Å
13G96.8Very high93.3Very high0 Ų037 Ų370%020%0.199CC..Hα-helixtrans-65.2-57174.800000111.9D11 F15 T16 L17 F660D11-G13 VanDerWaalsContact CG-N 3.33Å; D11-G13 PolarHBondContact O-N 3.46Å; D11-G13 PolarHBondContact OD1-N 3.32Å; D11-G13 PolarHBondContact OD2-N 3.5Å; G13-F15 VanDerWaalsContact C-N 3.32Å; G13-F15 PolarHBondContact O-N 2.87Å; G13-T16 WeakPolarHBondContact O-CB 3.36Å; G13-T16 PolarHBondContact O-N 2.64Å; G13-T16 VanDerWaalsContact O-N 3.17Å; G13-L17 WeakPolarHBondContact O-CG 3.07Å; G13-L17 PolarHBondContact O-N 2.84Å; G13-F660 VanDerWaalsContact CA-CD1 3.48Å; G13-F660 VanDerWaalsContact CA-CG 3.47Å
14L97.1Very high95Very high0 Ų028.8 Ų28.80%016%0.164CC..Hα-helixtrans-52.1-49.2172.7-167.3161.5000111.3L8 D11 T16 L17 L18 H144L8-L14 HydrophobicContact CD1-CD2 3.99Å; L8-L14 HydrophobicContact CD2-CD1 4.35Å; L8-L14 HydrophobicContact CD2-CD2 4.22Å; D11-L14 HydrophobicContact CB-CB 4.04Å; D11-L14 PolarHBondContact O-N 3.02Å; D11-L14 PolarHBondContact OD1-N 3.01Å; L14-T16 VanDerWaalsContact C-N 3.29Å; L14-T16 PolarHBondContact O-N 2.68Å; L14-L17 PolarHBondContact O-N 2.99Å; L14-L17 VanDerWaalsContact O-N 3.16Å; L14-L18 WeakPolarHBondContact O-CB 3.28Å; L14-L18 PolarHBondContact O-N 3.43Å; L14-H144 HydrophobicContact CD1-CB 4.24Å; L14-H144 HydrophobicContact CD2-CB 3.8Å; L14-H144 HydrophobicContact CG-CB 3.86Å
15F98.2Very high95.5Very high0 Ų032.6 Ų32.60%017%0.169CC..Hα-helixtrans-65.4-33.5-178.2-79.532.1000112E9 D11 G13 V19 V29 I47 A92 L96 F170 M231E9-F15 WeakPolarHBondContact O-CE1 3.43Å; D11-F15 WeakPolarHBondContact O-CD1 3.41Å; D11-F15 PolarHBondContact O-N 3.17Å; G13-F15 VanDerWaalsContact C-N 3.32Å; G13-F15 PolarHBondContact O-N 2.87Å; F15-V19 VanDerWaalsContact O-CG2 3.24Å; F15-V19 WeakPolarHBondContact O-CG2 3.31Å; F15-V19 PolarHBondContact O-N 3.01Å; F15-V29 HydrophobicContact CB-CB 4.02Å; F15-V29 HydrophobicContact CB-CG1 4.05Å; F15-V29 HydrophobicContact CB-CG2 3.96Å; F15-V29 HydrophobicContact CD2-CG1 4.47Å; F15-I47 HydrophobicContact CE2-CG2 4.36Å; F15-A92 HydrophobicContact CE1-CB 3.88Å; F15-A92 HydrophobicContact CE2-CB 4.36Å; F15-A92 HydrophobicContact CZ-CB 3.51Å; F15-L96 HydrophobicContact CB-CD1 4.38Å; F15-L96 HydrophobicContact CD2-CD1 4.02Å; F15-L96 HydrophobicContact CD2-CD2 4.1Å; F15-L96 HydrophobicContact CD2-CG 4.14Å; F15-L96 HydrophobicContact CE2-CD1 4.5Å; F15-L96 HydrophobicContact CG-CD1 4.14Å; F15-F170 HydrophobicContact CE2-CD1 4.38Å; F15-F170 AromaticContact CE2-CE1 3.96Å; F15-F170 HydrophobicContact CE2-CE1 3.96Å; F15-F170 HydrophobicContact CE2-CZ 4.45Å; F15-F170 HydrophobicContact CZ-CD1 4.33Å; F15-F170 AromaticContact CZ-CE1 3.62Å; F15-F170 HydrophobicContact CZ-CE1 3.62Å; F15-F170 HydrophobicContact CZ-CE2 4.4Å; F15-F170 AromaticContact CZ-CZ 3.66Å; F15-F170 HydrophobicContact CZ-CZ 3.66Å; F15-M231 HydrophobicContact CD2-CE 3.83Å; F15-M231 HydrophobicContact CD2-SD 3.93Å; F15-M231 HydrophobicContact CE2-CE 3.53Å; F15-M231 HydrophobicContact CE2-SD 4.25Å; F15-M231 HydrophobicContact CG-SD 4.35Å; F15-M231 HydrophobicContact CZ-CE 4.05Å
16T98.2Very high95.7Very high1 Ų133 Ų331%0.00618%0.178CC..Hα-helixtrans-66.1-41.8173.4-63.90000111.8P12 G13 L14 V19 E20 Q28 V29P12-T16 VanDerWaalsContact O-CB 3.28Å; P12-T16 WeakPolarHBondContact O-CB 3.27Å; P12-T16 PolarHBondContact O-N 2.9Å; P12-T16 PolarHBondContact O-OG1 3.4Å; G13-T16 WeakPolarHBondContact O-CB 3.36Å; G13-T16 PolarHBondContact O-N 2.64Å; G13-T16 VanDerWaalsContact O-N 3.17Å; L14-T16 VanDerWaalsContact C-N 3.29Å; L14-T16 PolarHBondContact O-N 2.68Å; T16-V19 PolarHBondContact O-N 3.17Å; T16-E20 PolarHBondContact O-N 3.39Å; T16-E20 VanDerWaalsContact O-N 3.16Å; T16-Q28 HydrophobicContact CG2-CB 3.87Å; T16-V29 PolarHBondContact OG1-N 2.76Å; T16-V29 PolarHBondContact OG1-O 3.03Å
17L98Very high95.9Very high6 Ų631.7 Ų31.73%0.03117%0.171CC..Hα-helixtrans-70.1-42.5178.2-63176.2000112G13 L14 V19 E20 D21 F660 K661 D664G13-L17 WeakPolarHBondContact O-CG 3.07Å; G13-L17 PolarHBondContact O-N 2.84Å; L14-L17 PolarHBondContact O-N 2.99Å; L14-L17 VanDerWaalsContact O-N 3.16Å; L17-V19 PolarHBondContact O-N 2.85Å; L17-E20 CarbonylContact O-C 3.6Å; L17-E20 WeakPolarHBondContact O-CA 3.43Å; L17-E20 WeakPolarHBondContact O-CB 3.41Å; L17-E20 PolarHBondContact O-N 2.98Å; L17-D21 PolarHBondContact O-N 3.22Å; L17-F660 HydrophobicContact CD1-CB 4.31Å; L17-F660 HydrophobicContact CG-CB 4.49Å; L17-K661 HydrophobicContact CD1-CG 4.12Å; L17-K661 HydrophobicContact CD2-CD 4.23Å; L17-K661 HydrophobicContact CD2-CG 3.58Å; L17-D664 HydrophobicContact CD1-CB 3.62Å
18L98.1Very high96.2Very high0 Ų025 Ų250%014%0.14CC..Hα-helixtrans-58.1-31.8175.1179.859.4000112.4L8 L14 F22 L96 A140 H141 H144L8-L18 HydrophobicContact CD1-CD2 3.84Å; L14-L18 WeakPolarHBondContact O-CB 3.28Å; L14-L18 PolarHBondContact O-N 3.43Å; L18-F22 HydrophobicContact CD1-CD1 4.24Å; L18-F22 HydrophobicContact CD1-CE1 3.5Å; L18-F22 VanDerWaalsContact CD1-CE1 3.5Å; L18-F22 HydrophobicContact CD1-CE2 4.29Å; L18-F22 HydrophobicContact CD1-CZ 3.52Å; L18-F22 HydrophobicContact CD2-CZ 4.24Å; L18-F22 HydrophobicContact CG-CE1 4.13Å; L18-F22 HydrophobicContact CG-CE2 4.01Å; L18-F22 HydrophobicContact CG-CZ 3.71Å; L18-F22 WeakPolarHBondContact O-CD1 3.35Å; L18-F22 WeakPolarHBondContact O-CD2 3.42Å; L18-F22 WeakPolarHBondContact O-CG 3.31Å; L18-F22 PolarHBondContact O-N 3.07Å; L18-F22 VanDerWaalsContact O-N 3.08Å; L18-L96 HydrophobicContact CD2-CD1 3.78Å; L18-L96 HydrophobicContact CG-CD1 4.33Å; L18-A140 HydrophobicContact CD1-CB 4.12Å; L18-H141 HydrophobicContact CD1-CB 4.48Å; L18-H144 PolarHBondContact N-NE2 3.29Å
19V97.9Very high96.5Very high1 Ų124.4 Ų24.41%0.00614%0.137CC..Hα-helixtrans-75.2-37.9173.7171.20000112.1F15 T16 L17 D21 F22 V24 V27 L96 L100F15-V19 VanDerWaalsContact O-CG2 3.24Å; F15-V19 WeakPolarHBondContact O-CG2 3.31Å; F15-V19 PolarHBondContact O-N 3.01Å; T16-V19 PolarHBondContact O-N 3.17Å; L17-V19 PolarHBondContact O-N 2.85Å; V19-D21 VanDerWaalsContact C-N 3.34Å; V19-F22 PolarHBondContact O-N 3.19Å; V19-V24 HydrophobicContact CG1-CB 3.68Å; V19-V24 HydrophobicContact CG1-CG1 3.87Å; V19-V24 HydrophobicContact CG1-CG2 4.22Å; V19-V24 WeakPolarHBondContact O-CB 3.45Å; V19-V24 PolarHBondContact O-N 2.96Å; V19-V27 HydrophobicContact CG1-CB 4.05Å; V19-V27 HydrophobicContact CG1-CG1 4.1Å; V19-L96 HydrophobicContact CG2-CD1 4.37Å; V19-L96 HydrophobicContact CG2-CD2 3.87Å; V19-L100 HydrophobicContact CG2-CD1 4.19Å
20E96.9Very high96.7Very high54 Ų5422.5 Ų22.525%0.25213%0.128SC..Hα-helixtrans-59.3-44.5168.6-69-173.8163.900110.8T16 L17 F22 G23 R238 R657 K661T16-E20 PolarHBondContact O-N 3.39Å; T16-E20 VanDerWaalsContact O-N 3.16Å; L17-E20 CarbonylContact O-C 3.6Å; L17-E20 WeakPolarHBondContact O-CA 3.43Å; L17-E20 WeakPolarHBondContact O-CB 3.41Å; L17-E20 PolarHBondContact O-N 2.98Å; E20-F22 PolarHBondContact O-N 2.97Å; E20-G23 WeakPolarHBondContact O-CA 3.4Å; E20-G23 PolarHBondContact O-N 2.77Å; E20-R238 IonicContact OE1-NH2 3.59Å; E20-R238 PolarHBondContact OE1-NH2 3.48Å; E20-R657 IonicContact OE1-CZ 3.61Å; E20-R657 IonicContact OE1-NH1 3.55Å; E20-R657 PolarHBondContact OE1-NH1 3.33Å; E20-K661 IonicContact OE2-NZ 3.82Å; E20-K661 PolarHBondContact OE2-NZ 2.78Å
21D97.6Very high96.8Very high97 Ų9723.4 Ų23.452%0.51913%0.128SC..Hα-helixtrans-72.5-23.1-177.7-93.432.9000114L17 V19 G23 A140L17-D21 PolarHBondContact O-N 3.22Å; V19-D21 VanDerWaalsContact C-N 3.34Å; D21-G23 PolarHBondContact O-N 3.5Å; D21-A140 HydrophobicContact CB-CB 3.99Å
22F97.6Very high96.7Very high5 Ų523.1 Ų23.12%0.02213%0.126CC..THydrogen-bonded Turntrans-71.9-6.1165.1-66.6-17.5000113.3L18 V19 E20 V24 T93 L97 L112 L137 A140L18-F22 HydrophobicContact CD1-CD1 4.24Å; L18-F22 HydrophobicContact CD1-CE1 3.5Å; L18-F22 VanDerWaalsContact CD1-CE1 3.5Å; L18-F22 HydrophobicContact CD1-CE2 4.29Å; L18-F22 HydrophobicContact CD1-CZ 3.52Å; L18-F22 HydrophobicContact CD2-CZ 4.24Å; L18-F22 HydrophobicContact CG-CE1 4.13Å; L18-F22 HydrophobicContact CG-CE2 4.01Å; L18-F22 HydrophobicContact CG-CZ 3.71Å; L18-F22 WeakPolarHBondContact O-CD1 3.35Å; L18-F22 WeakPolarHBondContact O-CD2 3.42Å; L18-F22 WeakPolarHBondContact O-CG 3.31Å; L18-F22 PolarHBondContact O-N 3.07Å; L18-F22 VanDerWaalsContact O-N 3.08Å; V19-F22 PolarHBondContact O-N 3.19Å; E20-F22 PolarHBondContact O-N 2.97Å; F22-V24 HydrophobicContact CB-CG2 4.21Å; F22-T93 HydrophobicContact CE2-CG2 4.1Å; F22-T93 HydrophobicContact CZ-CG2 3.59Å; F22-L97 HydrophobicContact CE2-CD2 4.4Å; F22-L112 HydrophobicContact CB-CD1 4.19Å; F22-L112 HydrophobicContact CB-CD2 4.39Å; F22-L112 HydrophobicContact CB-CG 4.23Å; F22-L112 HydrophobicContact CD2-CD1 4.33Å; F22-L137 HydrophobicContact CD1-CD2 3.53Å; F22-L137 HydrophobicContact CE1-CB 4.18Å; F22-L137 HydrophobicContact CE1-CD2 3.7Å; F22-L137 HydrophobicContact CG-CD2 4.03Å; F22-L137 HydrophobicContact CZ-CD2 4.34Å; F22-A140 HydrophobicContact CD1-CB 3.9Å; F22-A140 HydrophobicContact CE1-CB 3.86Å
23G96.6Very high96.3Very high29 Ų2931.7 Ų31.730%0.29916%0.158SC..THydrogen-bonded Turntrans85.18.9179.900000114.9E20 D21 G109E20-G23 WeakPolarHBondContact O-CA 3.4Å; E20-G23 PolarHBondContact O-N 2.77Å; D21-G23 PolarHBondContact O-N 3.5Å; G23-G109 WeakPolarHBondContact O-CA 3.29Å
24V97.4Very high95.8Very high8 Ų835.3 Ų35.35%0.04818%0.178CC..  trans-75138.8179-176.90000109.5V19 F22 V27 L100 V106 D107 L112V19-V24 HydrophobicContact CG1-CB 3.68Å; V19-V24 HydrophobicContact CG1-CG1 3.87Å; V19-V24 HydrophobicContact CG1-CG2 4.22Å; V19-V24 WeakPolarHBondContact O-CB 3.45Å; V19-V24 PolarHBondContact O-N 2.96Å; F22-V24 HydrophobicContact CB-CG2 4.21Å; V24-V27 HydrophobicContact CG1-CB 4.17Å; V24-V27 HydrophobicContact CG1-CG2 3.8Å; V24-L100 HydrophobicContact CG1-CD2 4.18Å; V24-L100 HydrophobicContact CG2-CD1 4.31Å; V24-V106 HydrophobicContact CG1-CG1 3.67Å; V24-D107 WeakPolarHBondContact CA-O 3.37Å; V24-D107 WeakPolarHBondContact CG1-O 3.42Å; V24-L112 HydrophobicContact CG2-CD1 3.48Å; V24-L112 VanDerWaalsContact CG2-CD1 3.48Å; V24-L112 HydrophobicContact CG2-CG 4.23Å
25K94.8Very high95Very high122 Ų12236.8 Ų36.853%0.5319%0.186SC..BIsolated β-bridgetrans-114146.8-179.2-52.1-167.1-154.167.90112.7V27 D107K25-V27 VanDerWaalsContact C-N 3.29Å; K25-V27 PolarHBondContact O-N 2.98Å; K25-D107 HydrophobicContact CB-CB 4.19Å; K25-D107 WeakPolarHBondContact CD-OD2 3.32Å; K25-D107 PolarHBondContact N-O 2.64Å; K25-D107 IonicContact NZ-OD1 3.23Å; K25-D107 IonicContact NZ-OD2 3.76Å; K25-D107 PolarHBondContact NZ-OD2 3.47Å
26G95Very high94.1Very high24 Ų2444.4 Ų44.425%0.24722%0.221CC..SBendtrans69.921.3172.400000115P235 D236G26-P235 CarbonylContact O-C 3.52Å; G26-P235 VanDerWaalsContact O-CA 3.28Å; G26-P235 WeakPolarHBondContact O-CA 3.48Å; G26-D236 PolarHBondContact O-N 2.87Å
27V96.9Very high93.2Very high4 Ų446.8 Ų46.82%0.02424%0.238CC..EExtended strand (participates in β ladder)trans-118.1145.9176.1-179.70000109.7V19 V24 K25 Y44 L100 V106 V233 V234V19-V27 HydrophobicContact CG1-CB 4.05Å; V19-V27 HydrophobicContact CG1-CG1 4.1Å; V24-V27 HydrophobicContact CG1-CB 4.17Å; V24-V27 HydrophobicContact CG1-CG2 3.8Å; K25-V27 VanDerWaalsContact C-N 3.29Å; K25-V27 PolarHBondContact O-N 2.98Å; V27-Y44 HydrophobicContact CG2-CD2 4.5Å; V27-Y44 HydrophobicContact CG2-CE2 4.03Å; V27-L100 HydrophobicContact CG1-CD2 4.25Å; V27-L100 HydrophobicContact CG2-CD2 4.45Å; V27-V106 HydrophobicContact CG2-CG1 3.67Å; V27-V106 HydrophobicContact CG2-CG2 4.17Å; V27-V233 HydrophobicContact CG1-CG1 3.47Å; V27-V233 VanDerWaalsContact CG1-CG1 3.47Å; V27-V234 CarbonylContact C-O 3.6Å; V27-V234 WeakPolarHBondContact CA-O 3.48Å
28Q96.6Very high92.3Very high4 Ų452 Ų522%0.01926%0.26CS..EExtended strand (participates in β ladder)trans-140167.7166.470.9-17633.100110.8T16 E30 V234 E653T16-Q28 HydrophobicContact CG2-CB 3.87Å; Q28-E30 HydrophobicContact CG-CG 4.5Å; Q28-E30 PolarHBondContact NE2-OE1 2.98Å; Q28-V234 HydrophobicContact CG-CG2 3.75Å; Q28-V234 PolarHBondContact N-O 3.26Å; Q28-V234 PolarHBondContact O-N 3.27Å; Q28-V234 VanDerWaalsContact O-O 3.08Å; Q28-E653 PolarHBondContact NE2-OE2 3.46Å
29V97.5Very high91.5Very high2 Ų253.1 Ų53.11%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-115.8136.3177-176.40000109.1P12 F15 T16 L96 M231 A232 V233P12-V29 HydrophobicContact CB-CG1 4.28Å; P12-V29 WeakPolarHBondContact CB-O 3.49Å; F15-V29 HydrophobicContact CB-CB 4.02Å; F15-V29 HydrophobicContact CB-CG1 4.05Å; F15-V29 HydrophobicContact CB-CG2 3.96Å; F15-V29 HydrophobicContact CD2-CG1 4.47Å; T16-V29 PolarHBondContact OG1-N 2.76Å; T16-V29 PolarHBondContact OG1-O 3.03Å; V29-L96 HydrophobicContact CG2-CD2 4.09Å; V29-M231 HydrophobicContact CG1-CB 3.73Å; V29-M231 HydrophobicContact CG1-CG 4.07Å; V29-M231 HydrophobicContact CG1-SD 3.85Å; V29-A232 WeakPolarHBondContact CA-O 3.44Å; V29-V233 HydrophobicContact CG2-CG2 4.42Å
30E95.2Very high90.4Very high28 Ų2860.2 Ų60.213%0.13130%0.301CS..EExtended strand (participates in β ladder)trans-130.4142.6-179.2-67.8-175-149.600111.1Q28 M231 A232 V234 R237Q28-E30 HydrophobicContact CG-CG 4.5Å; Q28-E30 PolarHBondContact NE2-OE1 2.98Å; E30-M231 CarbonylContact O-C 3.55Å; E30-M231 WeakPolarHBondContact O-CA 3.49Å; E30-A232 PolarHBondContact N-O 2.84Å; E30-A232 PolarHBondContact O-N 2.92Å; E30-V234 HydrophobicContact CG-CG2 3.97Å; E30-V234 WeakPolarHBondContact OE1-CG2 2.83Å; E30-R237 WeakPolarHBondContact OE1-CD 3.36Å; E30-R237 IonicContact OE1-CZ 2.66Å; E30-R237 IonicContact OE1-NE 3.4Å; E30-R237 PolarHBondContact OE1-NE 2.85Å; E30-R237 IonicContact OE1-NH2 3.39Å; E30-R237 PolarHBondContact OE1-NH2 3.48Å; E30-R237 IonicContact OE2-CZ 3.69Å; E30-R237 IonicContact OE2-NE 2.94Å; E30-R237 IonicContact OE2-NH1 3.98Å; E30-R237 IonicContact OE2-NH2 2.69Å; E30-R237 PolarHBondContact OE2-NH2 3.47Å
31E94.8Very high89.8Confident57 Ų5759.5 Ų59.527%0.26631%0.308SS..EExtended strand (participates in β ladder)trans-87.1136177.9-176169.8-141.500111.2P12 Y33 N229 M231P12-E31 HydrophobicContact CB-CB 4.45Å; P12-E31 HydrophobicContact CG-CB 3.95Å; E31-Y33 HydrophobicContact CB-CE1 4.26Å; E31-Y33 HydrophobicContact CG-CD1 4.11Å; E31-Y33 HydrophobicContact CG-CE1 3.55Å; E31-Y33 WeakPolarHBondContact OE2-CE1 3.45Å; E31-Y33 PolarHBondContact OE2-OH 3.15Å; E31-N229 PolarHBondContact OE1-ND2 2.79Å; E31-N229 PolarHBondContact OE1-OD1 3.44Å; E31-M231 HydrophobicContact CB-CG 4.49Å
32I92.4Very high89.4Confident30 Ų3059.4 Ų59.415%0.15431%0.313CS..  trans-105.191.6-174.9-55.3-60.4000109.2F46 L230 A232I32-F46 HydrophobicContact CG1-CE1 4.42Å; I32-L230 HydrophobicContact CB-CB 4.27Å; I32-L230 HydrophobicContact CB-CD2 4.01Å; I32-L230 HydrophobicContact CB-CG 4.02Å; I32-L230 HydrophobicContact CG1-CD2 4.43Å; I32-L230 HydrophobicContact CG1-CG 4.26Å; I32-L230 HydrophobicContact CG2-CD2 3.99Å; I32-L230 PolarHBondContact N-O 2.9Å; I32-A232 HydrophobicContact CD1-CB 3.88Å; I32-A232 HydrophobicContact CG1-CB 4Å
33Y88Confident89.3Confident193 Ų19359.7 Ų59.776%0.75732%0.315SS*.SBendtrans-71.8-26179.6-55.2-65.4000114.1E31E31-Y33 HydrophobicContact CB-CE1 4.26Å; E31-Y33 HydrophobicContact CG-CD1 4.11Å; E31-Y33 HydrophobicContact CG-CE1 3.55Å; E31-Y33 WeakPolarHBondContact OE2-CE1 3.45Å; E31-Y33 PolarHBondContact OE2-OH 3.15Å
34D86.3Confident89.3Confident77 Ų7760.1 Ų60.141%0.41231%0.308SS..  trans-129.9113-179.517625000111.8Q36 S37D34-Q36 PolarHBondContact O-N 3.35Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.47Å; D34-Q36 PolarHBondContact OD1-N 3.14Å; D34-S37 PolarHBondContact O-N 2.92Å; D34-S37 PolarHBondContact O-OG 3.48Å; D34-S37 PolarHBondContact OD2-N 3.49Å
35L81.8Confident89.2Confident31 Ų3159.8 Ų59.816%0.16231%0.305CS..SBendtrans-68.2-18.8176.3-73.5161.2000113.6R207 I210 M211 I214 L230L35-R207 HydrophobicContact CD2-CG 4.48Å; L35-R207 VanDerWaalsContact O-CD 3.24Å; L35-R207 WeakPolarHBondContact O-CD 3.24Å; L35-R207 PolarHBondContact O-NE 3.48Å; L35-I210 HydrophobicContact CD2-CG2 4.14Å; L35-M211 HydrophobicContact CB-CG 4.09Å; L35-M211 HydrophobicContact CB-SD 4.16Å; L35-M211 HydrophobicContact CD1-CG 3.93Å; L35-M211 HydrophobicContact CG-CG 4.41Å; L35-I214 HydrophobicContact CD1-CD1 3.71Å; L35-L230 HydrophobicContact CD2-CD2 3.43Å; L35-L230 VanDerWaalsContact CD2-CD2 3.43Å
36Q79.4Confident89.4Confident160 Ų16054 Ų5475%0.74828%0.28SS*.SBendtrans-80.2-30.7177-54.7-171.411.300111.4D34D34-Q36 PolarHBondContact O-N 3.35Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.47Å; D34-Q36 PolarHBondContact OD1-N 3.14Å
37S78.7Confident89.5Confident51 Ų5152.8 Ų52.836%0.35727%0.268SS..SBendtrans-63.2140174.978.20000112.4D34 R207D34-S37 PolarHBondContact O-N 2.92Å; D34-S37 PolarHBondContact O-OG 3.48Å; D34-S37 PolarHBondContact OD2-N 3.49Å; S37-R207 PolarHBondContact O-NE 3.48Å
38K79.3Confident89.4Confident115 Ų11552.9 Ų52.950%0.527%0.268SS..PPolyproline II helixtrans-82.3140.9168.6-71.2-146.5-178.5-156.10110.2D204K38-D204 WeakPolarHBondContact CE-OD1 3.39Å; K38-D204 WeakPolarHBondContact CE-OD2 3.3Å; K38-D204 IonicContact NZ-OD1 3.88Å; K38-D204 PolarHBondContact NZ-OD1 3.2Å; K38-D204 IonicContact NZ-OD2 3.54Å; K38-D204 PolarHBondContact NZ-OD2 2.65Å
39C80.3Confident89.3Confident23 Ų2353.3 Ų53.316%0.15527%0.271CS..PPolyproline II helixtrans-67.2141.3176.2-65.80000111.2G41 V43C39-G41 PolarHBondContact O-N 3Å; C39-V43 HydrophobicContact CB-CG2 3.52Å
40Q76.2Confident88.9Confident151 Ų15155 Ų5571%0.70628%0.278SS*.SBendtrans-86.271.9-173.2-67.3-166.715.100113.9K240Q40-K240 PolarHBondContact O-NZ 3.2Å
41G82.7Confident88.3Confident39 Ų3955.7 Ų55.740%0.40228%0.28SS..SBendtrans112.5-167.2179.200000112.3C39 V43C39-G41 PolarHBondContact O-N 3Å; G41-V43 PolarHBondContact O-N 3.31Å
42P90.1Very high87.3Confident95 Ų9555.7 Ų55.762%0.61728%0.278SS*.  trans-65.2134.2-172.827.1-34.7000111.6P235P42-P235 HydrophobicContact CG-CG 4.02Å; P42-P235 WeakPolarHBondContact O-CD 3.28Å
43V94.6Very high86.2Confident10 Ų1056.8 Ų56.86%0.06128%0.284CS..  trans-108.9138172-177.20000107.8C39 G41 F46 W202 T203 A232 V234C39-V43 HydrophobicContact CB-CG2 3.52Å; G41-V43 PolarHBondContact O-N 3.31Å; V43-F46 HydrophobicContact CG1-CE1 4.24Å; V43-F46 HydrophobicContact CG1-CE2 4.39Å; V43-F46 HydrophobicContact CG1-CZ 4.14Å; V43-W202 HydrophobicContact CB-CH2 4.5Å; V43-W202 HydrophobicContact CB-CZ2 3.77Å; V43-W202 HydrophobicContact CG1-CH2 4.06Å; V43-W202 HydrophobicContact CG1-CZ2 3.78Å; V43-W202 WeakPolarHBondContact O-CZ2 3.49Å; V43-T203 HydrophobicContact CB-CG2 4.17Å; V43-T203 HydrophobicContact CG2-CG2 4.19Å; V43-A232 HydrophobicContact CG1-CB 4.06Å; V43-V234 HydrophobicContact CB-CG1 4.48Å; V43-V234 HydrophobicContact CG1-CG1 4.35Å; V43-V234 HydrophobicContact CG2-CG1 4.11Å
44Y96.3Very high85Confident39 Ų3954.6 Ų54.615%0.15328%0.28CS..  trans-86-35.9178.6-68.3-59.5000112.5V27 C103 N105 V106 V233 P235V27-Y44 HydrophobicContact CG2-CD2 4.5Å; V27-Y44 HydrophobicContact CG2-CE2 4.03Å; Y44-C103 HydrophobicContact CD1-CB 4.48Å; Y44-N105 HydrophobicContact CE1-CB 4.32Å; Y44-N105 WeakPolarHBondContact CE1-O 3.35Å; Y44-N105 PolarHBondContact OH-O 3.26Å; Y44-V106 HydrophobicContact CD1-CG2 3.74Å; Y44-V106 HydrophobicContact CD2-CG2 4.26Å; Y44-V106 HydrophobicContact CE1-CG2 3.41Å; Y44-V106 VanDerWaalsContact CE1-CG2 3.41Å; Y44-V106 HydrophobicContact CE2-CG2 3.98Å; Y44-V106 HydrophobicContact CG-CG2 4.14Å; Y44-V233 WeakPolarHBondContact CB-O 3.49Å; Y44-V233 HydrophobicContact CD2-CG1 4.3Å; Y44-V233 PolarHBondContact N-O 2.67Å; Y44-P235 HydrophobicContact CE2-CB 4.34Å; Y44-P235 HydrophobicContact CE2-CG 3.76Å
45G96.8Very high83.4Confident0 Ų055.9 Ų55.90%028%0.284CS..EExtended strand (participates in β ladder)trans-178.1164.4176.800000110.5Y173 V233G45-Y173 CarbonylContact C-O 3.59Å; G45-Y173 VanDerWaalsContact CA-O 3.3Å; G45-Y173 WeakPolarHBondContact CA-O 3.42Å; G45-V233 PolarHBondContact O-N 2.83Å
46F97.6Very high82.1Confident0 Ų058.6 Ų58.60%029%0.292CS..EExtended strand (participates in β ladder)trans-105.4148.6169.5-65.6-76.8000110.8I32 V43 S172 Y173 W202 T203 A206 L230 M231 A232I32-F46 HydrophobicContact CG1-CE1 4.42Å; V43-F46 HydrophobicContact CG1-CE1 4.24Å; V43-F46 HydrophobicContact CG1-CE2 4.39Å; V43-F46 HydrophobicContact CG1-CZ 4.14Å; F46-S172 CarbonylContact O-C 3.52Å; F46-S172 VanDerWaalsContact O-CA 3.29Å; F46-S172 WeakPolarHBondContact O-CA 3.22Å; F46-Y173 PolarHBondContact N-O 2.69Å; F46-Y173 PolarHBondContact O-N 3.27Å; F46-W202 AromaticContact CD2-CH2 3.45Å; F46-W202 HydrophobicContact CD2-CH2 3.45Å; F46-W202 VanDerWaalsContact CD2-CH2 3.45Å; F46-W202 AromaticContact CD2-CZ3 3.56Å; F46-W202 HydrophobicContact CD2-CZ3 3.56Å; F46-W202 AromaticContact CE2-CH2 3.49Å; F46-W202 HydrophobicContact CE2-CH2 3.49Å; F46-W202 VanDerWaalsContact CE2-CH2 3.49Å; F46-W202 HydrophobicContact CE2-CZ2 4.29Å; F46-W202 AromaticContact CE2-CZ3 3.67Å; F46-W202 HydrophobicContact CE2-CZ3 3.67Å; F46-W202 HydrophobicContact CG-CH2 4.44Å; F46-T203 HydrophobicContact CE2-CG2 4.49Å; F46-A206 HydrophobicContact CD2-CB 3.83Å; F46-A206 HydrophobicContact CE2-CB 3.82Å; F46-L230 HydrophobicContact CB-CD1 3.86Å; F46-L230 HydrophobicContact CD1-CD1 4.05Å; F46-L230 HydrophobicContact CD1-CD2 4.41Å; F46-L230 HydrophobicContact CD1-CG 4.3Å; F46-L230 HydrophobicContact CG-CD1 4.23Å; F46-M231 CarbonylContact C-O 3.45Å; F46-M231 VanDerWaalsContact CA-O 3.31Å; F46-M231 WeakPolarHBondContact CA-O 3.41Å; F46-A232 HydrophobicContact CD1-CB 3.87Å; F46-A232 HydrophobicContact CE1-CB 3.81Å
47I97.8Very high80.8Confident0 Ų055.3 Ų55.30%027%0.273CS..EExtended strand (participates in β ladder)trans-118.7115.2170.7-65.6174.4000107.1F15 A95 L96 V99 F170 M231 V233F15-I47 HydrophobicContact CE2-CG2 4.36Å; I47-A95 HydrophobicContact CD1-CB 4.31Å; I47-A95 HydrophobicContact CG1-CB 4.31Å; I47-A95 HydrophobicContact CG2-CB 3.96Å; I47-L96 HydrophobicContact CD1-CB 4.46Å; I47-L96 HydrophobicContact CD1-CD2 3.55Å; I47-L96 HydrophobicContact CD1-CG 3.82Å; I47-V99 HydrophobicContact CD1-CG2 4.45Å; I47-V99 HydrophobicContact CG1-CG2 4.01Å; I47-F170 HydrophobicContact CG2-CB 4.35Å; I47-F170 HydrophobicContact CG2-CD1 3.65Å; I47-F170 HydrophobicContact CG2-CE1 4.46Å; I47-F170 HydrophobicContact CG2-CG 4.42Å; I47-M231 HydrophobicContact CB-CB 4.47Å; I47-M231 PolarHBondContact N-O 3.25Å; I47-M231 PolarHBondContact O-N 3.39Å; I47-V233 HydrophobicContact CD1-CG2 3.92Å; I47-V233 HydrophobicContact CG1-CG2 4.31Å
48F95.9Very high79.3Confident5 Ų555.2 Ų55.22%0.02227%0.272CS..EExtended strand (participates in β ladder)trans-108.1119.3-179.2-179-114.1000110.3F50 F170 V171 Y173 I210 I214 F228 N229 L230F48-F50 AromaticContact CD1-CD1 3.69Å; F48-F50 HydrophobicContact CD1-CD1 3.69Å; F48-F50 HydrophobicContact CD1-CE1 4.42Å; F48-F50 HydrophobicContact CD1-CG 4.47Å; F48-F50 HydrophobicContact CE1-CB 3.81Å; F48-F50 AromaticContact CE1-CD1 3.65Å; F48-F50 HydrophobicContact CE1-CD1 3.65Å; F48-F50 AromaticContact CE1-CG 3.99Å; F48-F50 HydrophobicContact CE1-CG 3.99Å; F48-F50 HydrophobicContact CZ-CB 4.15Å; F48-F170 WeakPolarHBondContact O-CA 3.34Å; F48-V171 PolarHBondContact N-O 3.18Å; F48-V171 PolarHBondContact O-N 2.71Å; F48-Y173 HydrophobicContact CB-CD2 4.26Å; F48-Y173 HydrophobicContact CB-CE2 3.74Å; F48-Y173 HydrophobicContact CD1-CE2 4.47Å; F48-Y173 HydrophobicContact CG-CE2 4.35Å; F48-I210 HydrophobicContact CD2-CG2 3.96Å; F48-I210 HydrophobicContact CE2-CG2 3.94Å; F48-I214 HydrophobicContact CE2-CD1 4.05Å; F48-I214 HydrophobicContact CE2-CG1 4.17Å; F48-I214 HydrophobicContact CZ-CD1 4.27Å; F48-I214 HydrophobicContact CZ-CG1 3.88Å; F48-F228 HydrophobicContact CE2-CB 3.87Å; F48-F228 HydrophobicContact CE2-CD2 4.02Å; F48-F228 HydrophobicContact CE2-CG 4.2Å; F48-F228 HydrophobicContact CZ-CB 4Å; F48-N229 WeakPolarHBondContact CD2-O 3.45Å; F48-L230 HydrophobicContact CB-CD1 4.2Å; F48-L230 HydrophobicContact CD2-CB 4.42Å; F48-L230 HydrophobicContact CD2-CD1 4.26Å
49L93.5Very high77.7Confident13 Ų1358.8 Ų58.87%0.06828%0.282CS..EExtended strand (participates in β ladder)trans-96.8135.7172-175.661.9000109.9S10 F168 H169 F170 F228 N229S10-L49 WeakPolarHBondContact OG-CD2 3.36Å; L49-F168 HydrophobicContact CD1-CB 3.7Å; L49-F168 HydrophobicContact CD1-CD1 4.41Å; L49-F168 HydrophobicContact CD2-CB 4.46Å; L49-F168 HydrophobicContact CD2-CD1 4.28Å; L49-F168 HydrophobicContact CG-CB 4.28Å; L49-F168 HydrophobicContact CG-CD1 4.12Å; L49-H169 WeakPolarHBondContact CA-O 3.46Å; L49-H169 VanDerWaalsContact CD1-C 3.44Å; L49-H169 VanDerWaalsContact CD1-O 3.27Å; L49-H169 WeakPolarHBondContact CD1-O 3.37Å; L49-F170 HydrophobicContact CB-CD1 3.87Å; L49-F170 HydrophobicContact CB-CE1 3.8Å; L49-F170 HydrophobicContact CD1-CD1 3.69Å; L49-F170 HydrophobicContact CD1-CD2 3.82Å; L49-F170 HydrophobicContact CD1-CE1 3.64Å; L49-F170 HydrophobicContact CD1-CE2 3.76Å; L49-F170 HydrophobicContact CD1-CG 3.79Å; L49-F170 HydrophobicContact CD1-CZ 3.67Å; L49-F170 HydrophobicContact CD2-CE1 3.85Å; L49-F170 HydrophobicContact CD2-CZ 3.88Å; L49-F170 HydrophobicContact CG-CD1 4.27Å; L49-F170 HydrophobicContact CG-CE1 3.97Å; L49-F170 HydrophobicContact CG-CZ 4.25Å; L49-F228 CarbonylContact O-C 3.53Å; L49-F228 WeakPolarHBondContact O-CA 3.28Å; L49-F228 VanDerWaalsContact O-CB 3.26Å; L49-F228 WeakPolarHBondContact O-CB 3.22Å; L49-N229 HydrophobicContact CB-CB 3.91Å; L49-N229 HydrophobicContact CD2-CB 4.24Å; L49-N229 PolarHBondContact N-O 3.05Å; L49-N229 PolarHBondContact O-N 3.41Å
50F88.6Confident76.3Confident37 Ų3765.4 Ų65.416%0.16230%0.304CS..EExtended strand (participates in β ladder)trans-143.4155.2170.160.6-78.7000110.7F48 W52 H169 V171 R213F48-F50 AromaticContact CD1-CD1 3.69Å; F48-F50 HydrophobicContact CD1-CD1 3.69Å; F48-F50 HydrophobicContact CD1-CE1 4.42Å; F48-F50 HydrophobicContact CD1-CG 4.47Å; F48-F50 HydrophobicContact CE1-CB 3.81Å; F48-F50 AromaticContact CE1-CD1 3.65Å; F48-F50 HydrophobicContact CE1-CD1 3.65Å; F48-F50 AromaticContact CE1-CG 3.99Å; F48-F50 HydrophobicContact CE1-CG 3.99Å; F48-F50 HydrophobicContact CZ-CB 4.15Å; F50-W52 PolarHBondContact O-N 3.26Å; F50-H169 HydrophobicContact CZ-CB 4.45Å; F50-H169 PolarHBondContact N-O 3.5Å; F50-H169 VanDerWaalsContact N-O 3.1Å; F50-H169 PolarHBondContact O-N 3.07Å; F50-V171 HydrophobicContact CE1-CB 4.36Å; F50-V171 HydrophobicContact CE1-CG2 3.72Å; F50-V171 HydrophobicContact CZ-CG2 4.3Å; F50-R213 VanDerWaalsContact CE1-NH2 3.34Å
51K84.1Confident74.5Confident43 Ų4366.7 Ų66.719%0.18731%0.307CS..EExtended strand (participates in β ladder)trans-59.8122.7171.5-177.5-179.9172.5-176.10110.6I53 E166 F168 R227K51-I53 HydrophobicContact CD-CG1 4.43Å; K51-I53 HydrophobicContact CG-CG1 4.27Å; K51-I53 PolarHBondContact O-N 2.71Å; K51-E166 HydrophobicContact CD-CB 4.31Å; K51-E166 VanDerWaalsContact CE-CD 3.49Å; K51-E166 IonicContact NZ-OE1 3.09Å; K51-E166 PolarHBondContact NZ-OE1 3.23Å; K51-E166 IonicContact NZ-OE2 2.63Å; K51-E166 PolarHBondContact NZ-OE2 3.49Å; K51-F168 HydrophobicContact CB-CD1 4.26Å; K51-F168 HydrophobicContact CB-CE1 3.95Å; K51-F168 HydrophobicContact CB-CZ 4.4Å; K51-R227 HydrophobicContact CB-CB 4.48Å; K51-R227 PolarHBondContact N-O 2.89Å
52W73Confident72.5Confident58 Ų5871.2 Ų71.222%0.2233%0.327CS..  trans-74.4110.6174.5-178.1-89.3000110F50 R57 A167 H169 L186F50-W52 PolarHBondContact O-N 3.26Å; W52-R57 VanDerWaalsContact CH2-CZ 3.45Å; W52-A167 HydrophobicContact CB-CB 4.15Å; W52-A167 WeakPolarHBondContact CB-O 3.34Å; W52-A167 PolarHBondContact N-O 3.22Å; W52-H169 HydrophobicContact CB-CB 4.29Å; W52-H169 HydrophobicContact CD2-CB 4.42Å; W52-H169 HydrophobicContact CE3-CB 3.58Å; W52-H169 AromaticContact CE3-CD2 3.73Å; W52-H169 AromaticContact CE3-CG 3.71Å; W52-H169 HydrophobicContact CZ3-CB 4.26Å; W52-H169 AromaticContact CZ3-CD2 3.54Å; W52-H169 AromaticContact CZ3-CG 3.87Å; W52-L186 HydrophobicContact CE3-CD1 4.31Å; W52-L186 HydrophobicContact CH2-CB 3.61Å; W52-L186 HydrophobicContact CH2-CD1 3.52Å; W52-L186 HydrophobicContact CH2-CG 4.21Å; W52-L186 HydrophobicContact CZ2-CD1 4.23Å; W52-L186 HydrophobicContact CZ3-CB 3.91Å; W52-L186 HydrophobicContact CZ3-CD1 3.56Å; W52-L186 HydrophobicContact CZ3-CG 4.37Å
53I69.8Low70.2Confident53 Ų5369.5 Ų69.527%0.27232%0.317SS..  trans-104.690.3179-58.4167.8000108K51 E55 R56K51-I53 HydrophobicContact CD-CG1 4.43Å; K51-I53 HydrophobicContact CG-CG1 4.27Å; K51-I53 PolarHBondContact O-N 2.71Å; I53-E55 HydrophobicContact CG2-CB 4.37Å; I53-E55 PolarHBondContact O-N 3.48Å; I53-R56 HydrophobicContact CB-CB 4.27Å; I53-R56 HydrophobicContact CG2-CB 4.01Å; I53-R56 HydrophobicContact CG2-CG 3.99Å; I53-R56 WeakPolarHBondContact O-CB 3.34Å; I53-R56 PolarHBondContact O-N 2.81Å
54E62Low67.8Low146 Ų14676 Ų7668%0.68236%0.357SS*.Hα-helixtrans-53.5-38.4179.5-173.8178.2-170.700111.8R56 R57 S58E54-R56 PolarHBondContact O-N 2.63Å; E54-R57 CarbonylContact O-C 3.55Å; E54-R57 WeakPolarHBondContact O-CA 3.44Å; E54-R57 PolarHBondContact O-N 2.8Å; E54-S58 PolarHBondContact O-N 3.01Å
55E52.3Low65.5Low105 Ų10580.3 Ų80.349%0.49138%0.382SS..Hα-helixtrans-61.4-29179-149.6-158.8-171.500113.6I53 R57 S58 R59I53-E55 HydrophobicContact CG2-CB 4.37Å; I53-E55 PolarHBondContact O-N 3.48Å; E55-R57 VanDerWaalsContact C-N 3.31Å; E55-R57 PolarHBondContact O-N 3.02Å; E55-S58 WeakPolarHBondContact CA-OG 3.33Å; E55-S58 PolarHBondContact O-N 3.15Å; E55-S58 PolarHBondContact O-OG 2.83Å; E55-R59 VanDerWaalsContact CD-NE 3.27Å; E55-R59 HydrophobicContact CG-CG 4.46Å; E55-R59 WeakPolarHBondContact O-CB 3.4Å; E55-R59 WeakPolarHBondContact O-CG 3.44Å; E55-R59 PolarHBondContact O-N 2.83Å; E55-R59 IonicContact OE1-CZ 2.85Å; E55-R59 VanDerWaalsContact OE1-CZ 3.29Å; E55-R59 IonicContact OE1-NE 3.35Å; E55-R59 PolarHBondContact OE1-NE 3.42Å; E55-R59 VanDerWaalsContact OE1-NE 3.08Å; E55-R59 IonicContact OE1-NH2 3.11Å; E55-R59 PolarHBondContact OE1-NH2 3.36Å; E55-R59 IonicContact OE2-CZ 3.03Å; E55-R59 IonicContact OE2-NE 3.82Å; E55-R59 PolarHBondContact OE2-NE 3.28Å; E55-R59 IonicContact OE2-NH2 3.76Å; E55-R59 PolarHBondContact OE2-NH2 3Å
56R54.5Low63.7Low88 Ų8883.2 Ų83.233%0.33240%0.399SS..Hα-helixtrans-76.2-16.3175.1-90.5-179.3169.7158.4-6.4113.5I53 E54 R60 A217I53-R56 HydrophobicContact CB-CB 4.27Å; I53-R56 HydrophobicContact CG2-CB 4.01Å; I53-R56 HydrophobicContact CG2-CG 3.99Å; I53-R56 WeakPolarHBondContact O-CB 3.34Å; I53-R56 PolarHBondContact O-N 2.81Å; E54-R56 PolarHBondContact O-N 2.63Å; R56-R60 PolarHBondContact O-NE 2.95Å; R56-A217 PolarHBondContact NH1-O 2.85Å; R56-A217 PolarHBondContact NH2-O 3.42Å
57R52.7Low62Low91 Ų9187.6 Ų87.634%0.34342%0.423SS..Hα-helixtrans-91.5-35.7164.6-82.7-172.3170.7102.3-16.6111W52 E54 E55 R60 K61 D184W52-R57 VanDerWaalsContact CH2-CZ 3.45Å; E54-R57 CarbonylContact O-C 3.55Å; E54-R57 WeakPolarHBondContact O-CA 3.44Å; E54-R57 PolarHBondContact O-N 2.8Å; E55-R57 VanDerWaalsContact C-N 3.31Å; E55-R57 PolarHBondContact O-N 3.02Å; R57-R60 CarbonylContact O-C 3.16Å; R57-R60 VanDerWaalsContact O-CA 3.3Å; R57-R60 WeakPolarHBondContact O-CA 3.46Å; R57-R60 PolarHBondContact O-N 2.97Å; R57-K61 PolarHBondContact O-N 3.31Å; R57-D184 IonicContact NH2-OD2 3.81Å; R57-D184 PolarHBondContact NH2-OD2 3.05Å
58S48Very low60.6Low48 Ų4896 Ų9634%0.33647%0.468SS..Hα-helixtrans-66.8-38.9179.883.40000112.9E54 E55 R60 K61E54-S58 PolarHBondContact O-N 3.01Å; E55-S58 WeakPolarHBondContact CA-OG 3.33Å; E55-S58 PolarHBondContact O-N 3.15Å; E55-S58 PolarHBondContact O-OG 2.83Å; S58-R60 PolarHBondContact O-N 3.34Å; S58-K61 VanDerWaalsContact O-CB 3.29Å; S58-K61 WeakPolarHBondContact O-CB 3.18Å; S58-K61 VanDerWaalsContact O-CG 3.27Å; S58-K61 WeakPolarHBondContact O-CG 3.4Å; S58-K61 PolarHBondContact O-N 3.46Å
59R44.4Very low60Low191 Ų19198.9 Ų98.972%0.72149%0.486SS*.THydrogen-bonded Turntrans-70.4-16.9169.6-63.2179.2-170-160.112.5113E55E55-R59 VanDerWaalsContact CD-NE 3.27Å; E55-R59 HydrophobicContact CG-CG 4.46Å; E55-R59 WeakPolarHBondContact O-CB 3.4Å; E55-R59 WeakPolarHBondContact O-CG 3.44Å; E55-R59 PolarHBondContact O-N 2.83Å; E55-R59 IonicContact OE1-CZ 2.85Å; E55-R59 VanDerWaalsContact OE1-CZ 3.29Å; E55-R59 IonicContact OE1-NE 3.35Å; E55-R59 PolarHBondContact OE1-NE 3.42Å; E55-R59 VanDerWaalsContact OE1-NE 3.08Å; E55-R59 IonicContact OE1-NH2 3.11Å; E55-R59 PolarHBondContact OE1-NH2 3.36Å; E55-R59 IonicContact OE2-CZ 3.03Å; E55-R59 IonicContact OE2-NE 3.82Å; E55-R59 PolarHBondContact OE2-NE 3.28Å; E55-R59 IonicContact OE2-NH2 3.76Å; E55-R59 PolarHBondContact OE2-NH2 3Å
60R50.8Low59.7Low162 Ų16299.3 Ų99.361%0.61149%0.49SS*.THydrogen-bonded Turntrans-96.324.5170.1-84.9-170.8-76.6-176.2-8.3113.3R56 R57 S58 V62 S63R56-R60 PolarHBondContact O-NE 2.95Å; R57-R60 CarbonylContact O-C 3.16Å; R57-R60 VanDerWaalsContact O-CA 3.3Å; R57-R60 WeakPolarHBondContact O-CA 3.46Å; R57-R60 PolarHBondContact O-N 2.97Å; S58-R60 PolarHBondContact O-N 3.34Å; R60-V62 PolarHBondContact O-N 3.27Å; R60-S63 PolarHBondContact O-N 2.84Å; R60-S63 VanDerWaalsContact O-N 3.11Å
61K39.1Very low59.8Low177 Ų17798.4 Ų98.477%0.7749%0.487SS*.  trans-68.323.9171.3-80.4177.5174.9-173.70115R57 S58R57-K61 PolarHBondContact O-N 3.31Å; S58-K61 VanDerWaalsContact O-CB 3.29Å; S58-K61 WeakPolarHBondContact O-CB 3.18Å; S58-K61 VanDerWaalsContact O-CG 3.27Å; S58-K61 WeakPolarHBondContact O-CG 3.4Å; S58-K61 PolarHBondContact O-N 3.46Å
62V40Very low60Low134 Ų134100.6 Ų100.681%0.81250%0.5SS*.SBendtrans-129.250.2161.8-166.30000108.4R60R60-V62 PolarHBondContact O-N 3.27Å
63S41.3Very low60.8Low59 Ų59101.8 Ų101.841%0.41351%0.511SS..  trans-146.257.3169.9-151.50000111R60 L65R60-S63 PolarHBondContact O-N 2.84Å; R60-S63 VanDerWaalsContact O-N 3.11Å; S63-L65 PolarHBondContact OG-O 3.42Å
64T45.6Very low61.8Low146 Ų146104.1 Ų104.190%0.89652%0.524SS*.  trans-79.43.3143.250.90000111.3V66T64-V66 PolarHBondContact O-N 2.89Å
65L48.5Very low63.2Low130 Ų130103 Ų10368%0.68152%0.523SS*.SBendtrans-56.5116.6148.6-60.3177.8000107.1S63S63-L65 PolarHBondContact OG-O 3.42Å
66V57.2Low65Low61 Ų61102 Ų10237%0.3752%0.52SS..PPolyproline II helixtrans-65129.9168-176.10000106.7T64 D68 S70 I72 Y189T64-V66 PolarHBondContact O-N 2.89Å; V66-D68 PolarHBondContact O-N 3.05Å; V66-S70 WeakPolarHBondContact CG1-OG 3.23Å; V66-I72 HydrophobicContact CB-CD1 4.32Å; V66-I72 HydrophobicContact CG1-CD1 3.85Å; V66-I72 HydrophobicContact CG1-CG1 3.96Å; V66-I72 HydrophobicContact CG2-CD1 4.34Å; V66-Y189 HydrophobicContact CG1-CD2 4.18Å; V66-Y189 HydrophobicContact CG2-CE2 4.23Å
67D62.6Low66.8Low92 Ų9298 Ų9849%0.49251%0.505SS..PPolyproline II helixtrans-58.8136.9173.3-77.2-46.8000108.1T69 S70D67-T69 PolarHBondContact O-N 3.5Å; D67-S70 PolarHBondContact N-OG 3.04Å; D67-S70 VanDerWaalsContact O-CB 3.31Å; D67-S70 WeakPolarHBondContact O-CB 3.46Å; D67-S70 PolarHBondContact O-N 2.98Å; D67-S70 PolarHBondContact O-OG 2.98Å
68D69.6Low68.7Low176 Ų17695 Ų9594%0.94150%0.496SS*.THydrogen-bonded Turntrans-57.8-14.5-176.7-65.4-43.8000113.9V66V66-D68 PolarHBondContact O-N 3.05Å
69T82.1Confident70.8Confident67 Ų6799 Ų9941%0.41151%0.514SS..THydrogen-bonded Turntrans-93.20.6175.951.50000114.1D67 I191 D192D67-T69 PolarHBondContact O-N 3.5Å; T69-I191 WeakPolarHBondContact OG1-CG2 3.27Å; T69-D192 WeakPolarHBondContact CB-O 3.16Å; T69-D192 PolarHBondContact O-N 2.89Å
70S88.3Confident73.2Confident21 Ų2190.4 Ų90.415%0.14748%0.482CS..BIsolated β-bridgetrans-81.3135.2179-42.20000111.2V66 D67 I72V66-S70 WeakPolarHBondContact CG1-OG 3.23Å; D67-S70 PolarHBondContact N-OG 3.04Å; D67-S70 VanDerWaalsContact O-CB 3.31Å; D67-S70 WeakPolarHBondContact O-CB 3.46Å; D67-S70 PolarHBondContact O-N 2.98Å; D67-S70 PolarHBondContact O-OG 2.98Å; S70-I72 PolarHBondContact O-N 3.38Å
71V88.9Confident75.4Confident18 Ų1883.2 Ų83.211%0.10946%0.455CS..  trans-88.1107.1174.2-175.50000109.8D73 I76 V77 F181 Y189 P190 D192V71-D73 HydrophobicContact CG1-CB 4.18Å; V71-I76 HydrophobicContact CG1-CB 3.91Å; V71-I76 HydrophobicContact CG1-CD1 4.42Å; V71-I76 HydrophobicContact CG1-CG2 3.82Å; V71-V77 HydrophobicContact CB-CG2 4.32Å; V71-V77 HydrophobicContact CG1-CG2 4.01Å; V71-V77 VanDerWaalsContact O-CG2 3.25Å; V71-V77 WeakPolarHBondContact O-CG2 3.36Å; V71-F181 HydrophobicContact CG2-CE1 3.89Å; V71-Y189 WeakPolarHBondContact O-CD1 3.14Å; V71-P190 HydrophobicContact CB-CG 4.36Å; V71-P190 PolarHBondContact N-O 3.47Å; V71-D192 HydrophobicContact CG2-CB 3.72Å
72I89.8Confident78.2Confident90 Ų9074.9 Ų74.946%0.46242%0.419SS..  trans-87.4-20.6178.2-47.6174.3000111.3V66 S70 D74 Y189V66-I72 HydrophobicContact CB-CD1 4.32Å; V66-I72 HydrophobicContact CG1-CD1 3.85Å; V66-I72 HydrophobicContact CG1-CG1 3.96Å; V66-I72 HydrophobicContact CG2-CD1 4.34Å; S70-I72 PolarHBondContact O-N 3.38Å; I72-D74 PolarHBondContact O-N 3.39Å; I72-D74 VanDerWaalsContact O-N 3.12Å; I72-Y189 HydrophobicContact CB-CE1 4.46Å; I72-Y189 HydrophobicContact CG2-CE1 4.01Å
73D90.1Very high80.9Confident82 Ų8268.5 Ų68.544%0.43938%0.38SS..  trans-64.9108.6-176.7-173.8-52.2000111.3V71 D75 I76 V77V71-D73 HydrophobicContact CG1-CB 4.18Å; D73-D75 VanDerWaalsContact C-N 3.28Å; D73-D75 PolarHBondContact O-N 3.24Å; D73-D75 WeakPolarHBondContact OD1-CB 3.04Å; D73-D75 PolarHBondContact OD1-N 3.41Å; D73-I76 HydrophobicContact CB-CB 4.17Å; D73-I76 HydrophobicContact CB-CD1 3.9Å; D73-I76 HydrophobicContact CB-CG1 4.03Å; D73-I76 PolarHBondContact O-N 3.29Å; D73-I76 VanDerWaalsContact O-N 3.17Å; D73-I76 PolarHBondContact OD1-N 2.72Å; D73-V77 VanDerWaalsContact O-CG2 3.31Å; D73-V77 WeakPolarHBondContact O-CG2 3.33Å; D73-V77 PolarHBondContact O-N 3.48Å
74D90.2Very high83.6Confident102 Ų10267.5 Ų67.555%0.54537%0.369SS..Hα-helixtrans-59-34.9-178-84.9-46.1000112.7I72 V77 N78I72-D74 PolarHBondContact O-N 3.39Å; I72-D74 VanDerWaalsContact O-N 3.12Å; D74-V77 PolarHBondContact O-N 3.29Å; D74-N78 WeakPolarHBondContact O-CB 3.38Å; D74-N78 PolarHBondContact O-N 2.97Å; D74-N78 PolarHBondContact O-ND2 3.27Å
75D90.4Very high85.9Confident123 Ų12361.9 Ų61.966%0.65833%0.332SS*.Hα-helixtrans-68.3-40178.3-80.7-34.4000110.5D73 N79D73-D75 VanDerWaalsContact C-N 3.28Å; D73-D75 PolarHBondContact O-N 3.24Å; D73-D75 WeakPolarHBondContact OD1-CB 3.04Å; D73-D75 PolarHBondContact OD1-N 3.41Å; D75-N79 WeakPolarHBondContact O-CB 3.39Å; D75-N79 PolarHBondContact O-N 3.45Å; D75-N79 PolarHBondContact O-ND2 3.25Å
76I91.1Very high87.9Confident84 Ų8458.6 Ų58.643%0.43132%0.315SS..Hα-helixtrans-67.8-44.2175-58.1176.5000110.8V71 D73 M80V71-I76 HydrophobicContact CG1-CB 3.91Å; V71-I76 HydrophobicContact CG1-CD1 4.42Å; V71-I76 HydrophobicContact CG1-CG2 3.82Å; D73-I76 HydrophobicContact CB-CB 4.17Å; D73-I76 HydrophobicContact CB-CD1 3.9Å; D73-I76 HydrophobicContact CB-CG1 4.03Å; D73-I76 PolarHBondContact O-N 3.29Å; D73-I76 VanDerWaalsContact O-N 3.17Å; D73-I76 PolarHBondContact OD1-N 2.72Å; I76-M80 HydrophobicContact CG2-CE 3.96Å; I76-M80 PolarHBondContact O-N 3.31Å
77V92.5Very high89.5Confident4 Ų457.8 Ų57.82%0.02431%0.308CS..Hα-helixtrans-67.4-37.8-179.5173.50000112.2V71 D73 D74 M80 F82 P124 P190V71-V77 HydrophobicContact CB-CG2 4.32Å; V71-V77 HydrophobicContact CG1-CG2 4.01Å; V71-V77 VanDerWaalsContact O-CG2 3.25Å; V71-V77 WeakPolarHBondContact O-CG2 3.36Å; D73-V77 VanDerWaalsContact O-CG2 3.31Å; D73-V77 WeakPolarHBondContact O-CG2 3.33Å; D73-V77 PolarHBondContact O-N 3.48Å; D74-V77 PolarHBondContact O-N 3.29Å; V77-M80 VanDerWaalsContact O-CG 3.24Å; V77-M80 WeakPolarHBondContact O-CG 3.46Å; V77-M80 PolarHBondContact O-N 2.99Å; V77-M80 VanDerWaalsContact O-O 3.13Å; V77-F82 HydrophobicContact CG1-CD1 4.05Å; V77-P124 HydrophobicContact CG1-CG 3.44Å; V77-P124 VanDerWaalsContact CG1-CG 3.44Å; V77-P190 HydrophobicContact CG2-CG 3.88Å
78N92.6Very high90.7Very high29 Ų2957.7 Ų57.716%0.15531%0.313CS..Hα-helixtrans-78.6-26.2-177.6-66.4-30.7000112.6D74 G121 F122 S123 K127D74-N78 WeakPolarHBondContact O-CB 3.38Å; D74-N78 PolarHBondContact O-N 2.97Å; D74-N78 PolarHBondContact O-ND2 3.27Å; N78-G121 PolarHBondContact O-N 3.27Å; N78-F122 PolarHBondContact OD1-O 2.84Å; N78-F122 VanDerWaalsContact OD1-O 3.08Å; N78-S123 WeakPolarHBondContact OD1-CA 3.3Å; N78-K127 PolarHBondContact O-NZ 3.47Å
79N92Very high91.7Very high131 Ų13152.4 Ų52.470%0.70129%0.285SS*.Hα-helixtrans-74.1-24.9172.2-84.2-62.4000114D75D75-N79 WeakPolarHBondContact O-CB 3.39Å; D75-N79 PolarHBondContact O-N 3.45Å; D75-N79 PolarHBondContact O-ND2 3.25Å
80M94.3Very high92.3Very high11 Ų1149.2 Ų49.25%0.05427%0.265CS..SBendtrans-89.5158.3170.470.1175.680.600112.3I76 V77 F82 K127 I176 F181 L183 P190I76-M80 HydrophobicContact CG2-CE 3.96Å; I76-M80 PolarHBondContact O-N 3.31Å; V77-M80 VanDerWaalsContact O-CG 3.24Å; V77-M80 WeakPolarHBondContact O-CG 3.46Å; V77-M80 PolarHBondContact O-N 2.99Å; V77-M80 VanDerWaalsContact O-O 3.13Å; M80-F82 HydrophobicContact CG-CB 4.03Å; M80-F82 PolarHBondContact O-N 3.05Å; M80-F82 VanDerWaalsContact O-N 3.15Å; M80-F82 HydrophobicContact SD-CB 4.11Å; M80-K127 PolarHBondContact O-NZ 2.95Å; M80-I176 HydrophobicContact CB-CD1 4.11Å; M80-I176 HydrophobicContact SD-CD1 4.44Å; M80-F181 HydrophobicContact CE-CD1 4.02Å; M80-F181 HydrophobicContact CE-CE1 3.63Å; M80-F181 HydrophobicContact CE-CZ 4.05Å; M80-F181 HydrophobicContact SD-CD1 4.42Å; M80-L183 HydrophobicContact SD-CD2 4.12Å; M80-P190 HydrophobicContact CE-CG 4.17Å; M80-P190 HydrophobicContact SD-CB 4.05Å; M80-P190 HydrophobicContact SD-CG 3.79Å
81F96.9Very high92.5Very high11 Ų1149.2 Ų49.25%0.04827%0.265CS..  trans-84.383.6167.5-163.7-85.7000110A83 L97 L101 N102 T119 K127 I131F81-A83 HydrophobicContact CE1-CB 4.08Å; F81-A83 HydrophobicContact CZ-CB 4.37Å; F81-L97 HydrophobicContact CE1-CB 4.27Å; F81-L101 HydrophobicContact CB-CB 3.82Å; F81-L101 HydrophobicContact CD1-CB 3.87Å; F81-L101 HydrophobicContact CD1-CD1 3.85Å; F81-L101 HydrophobicContact CD1-CG 4.41Å; F81-L101 HydrophobicContact CD2-CB 4.01Å; F81-L101 HydrophobicContact CD2-CD1 3.72Å; F81-L101 HydrophobicContact CE1-CD1 3.66Å; F81-L101 HydrophobicContact CE2-CD1 3.5Å; F81-L101 VanDerWaalsContact CE2-CD1 3.5Å; F81-L101 HydrophobicContact CG-CB 3.59Å; F81-L101 HydrophobicContact CG-CD1 3.89Å; F81-L101 HydrophobicContact CG-CG 4.38Å; F81-L101 HydrophobicContact CZ-CD1 3.48Å; F81-L101 VanDerWaalsContact CZ-CD1 3.48Å; F81-N102 PolarHBondContact N-OD1 3.42Å; F81-N102 PolarHBondContact O-ND2 3.01Å; F81-T119 WeakPolarHBondContact CE2-OG1 3.36Å; F81-K127 HydrophobicContact CE2-CG 4.36Å; F81-I131 HydrophobicContact CE1-CD1 4.11Å; F81-I131 HydrophobicContact CZ-CD1 3.95Å; F81-I131 HydrophobicContact CZ-CG1 4.31Å
82F97.7Very high92.8Very high1 Ų148.4 Ų48.40%0.00426%0.26CS..  trans-113.5131.6166.1174.3-119.4000108.8V77 M80 H84 P124 K127 L183 D184 P190V77-F82 HydrophobicContact CG1-CD1 4.05Å; M80-F82 HydrophobicContact CG-CB 4.03Å; M80-F82 PolarHBondContact O-N 3.05Å; M80-F82 VanDerWaalsContact O-N 3.15Å; M80-F82 HydrophobicContact SD-CB 4.11Å; F82-H84 AromaticContact CE1-CD2 3.92Å; F82-H84 AromaticContact CE1-NE2 3.8Å; F82-H84 AromaticContact CZ-CD2 3.95Å; F82-P124 HydrophobicContact CD1-CB 3.68Å; F82-P124 HydrophobicContact CD1-CG 3.56Å; F82-P124 HydrophobicContact CE1-CB 3.89Å; F82-P124 HydrophobicContact CE1-CG 4Å; F82-P124 WeakPolarHBondContact O-CA 3.49Å; F82-K127 WeakPolarHBondContact O-CD 3.23Å; F82-L183 HydrophobicContact CB-CD2 4.25Å; F82-L183 HydrophobicContact CD2-CB 4.15Å; F82-L183 HydrophobicContact CD2-CD2 3.88Å; F82-L183 HydrophobicContact CG-CD2 4.35Å; F82-D184 WeakPolarHBondContact CE2-O 3.36Å; F82-P190 HydrophobicContact CD1-CB 4.23Å; F82-P190 HydrophobicContact CD1-CG 4.05Å; F82-P190 HydrophobicContact CD2-CB 4.16Å; F82-P190 HydrophobicContact CE1-CB 4.5Å; F82-P190 HydrophobicContact CE1-CG 4.45Å; F82-P190 HydrophobicContact CE2-CB 4.43Å; F82-P190 HydrophobicContact CG-CB 4.05Å; F82-P190 HydrophobicContact CG-CG 4.24Å
83A97.7Very high93.2Very high0 Ų044.1 Ų44.10%024%0.238CC..  trans-135.9135.5-173.600000111.1F81 P124 K127 I131 G185F81-A83 HydrophobicContact CE1-CB 4.08Å; F81-A83 HydrophobicContact CZ-CB 4.37Å; A83-P124 WeakPolarHBondContact CA-O 3.38Å; A83-K127 HydrophobicContact CB-CB 3.7Å; A83-I131 HydrophobicContact CB-CD1 3.75Å; A83-G185 WeakPolarHBondContact O-CA 3.18Å
84H96.7Very high93.5Very high39 Ų3940.5 Ų40.518%0.18122%0.218CC..  trans-76.7136.4173.2-64.7154.1000110.5F82 L86 P124 E125 G128 G185 K187 V188F82-H84 AromaticContact CE1-CD2 3.92Å; F82-H84 AromaticContact CE1-NE2 3.8Å; F82-H84 AromaticContact CZ-CD2 3.95Å; H84-L86 HydrophobicContact CB-CD2 3.96Å; H84-L86 HydrophobicContact CB-CG 4.46Å; H84-L86 PolarHBondContact O-N 3.43Å; H84-P124 PolarHBondContact N-O 3.08Å; H84-E125 PolarHBondContact ND1-N 3.43Å; H84-G128 WeakPolarHBondContact O-CA 3.37Å; H84-G185 CarbonylContact C-O 3.53Å; H84-G185 WeakPolarHBondContact CA-O 3.24Å; H84-K187 PolarHBondContact CD2-O 3.42Å; H84-K187 VanDerWaalsContact CD2-O 3.29Å; H84-K187 PolarHBondContact NE2-O 3.14Å; H84-V188 PolarHBondContact NE2-O 3.3Å
85Q94.8Very high93.9Very high27 Ų2735.8 Ų35.813%0.12619%0.194CC..  trans-82.781.9179.5-170.7-160.6-3700110.4I87 G185 L186Q85-I87 VanDerWaalsContact C-N 3.32Å; Q85-I87 PolarHBondContact NE2-O 3.18Å; Q85-I87 PolarHBondContact O-N 3.31Å; Q85-G185 PolarHBondContact N-O 3.45Å; Q85-L186 HydrophobicContact CB-CD2 4Å; Q85-L186 HydrophobicContact CB-CG 4.47Å
86L91.3Very high94.2Very high62 Ų6230 Ų3033%0.32516%0.162SC..  trans-75.5-19.6-179.3-54-176.4000113.6H84 E125 Y129H84-L86 HydrophobicContact CB-CD2 3.96Å; H84-L86 HydrophobicContact CB-CG 4.46Å; H84-L86 PolarHBondContact O-N 3.43Å; L86-E125 HydrophobicContact CD1-CG 3.96Å; L86-E125 WeakPolarHBondContact CD1-O 3.47Å; L86-E125 HydrophobicContact CD2-CG 4.41Å; L86-Y129 HydrophobicContact CD1-CD1 3.74Å; L86-Y129 HydrophobicContact CD1-CD2 3.44Å; L86-Y129 VanDerWaalsContact CD1-CD2 3.44Å; L86-Y129 HydrophobicContact CD1-CE1 3.75Å; L86-Y129 HydrophobicContact CD1-CE2 3.46Å; L86-Y129 VanDerWaalsContact CD1-CE2 3.46Å; L86-Y129 HydrophobicContact CD1-CG 3.58Å
87I89.7Confident94.6Very high43 Ų4326 Ų2622%0.22114%0.142CC..SBendtrans-105.7128.7-175.6-49.7-58.1000110.1W5 Q85 S90W5-I87 HydrophobicContact CB-CG2 4.21Å; W5-I87 HydrophobicContact CD2-CG2 4.48Å; W5-I87 HydrophobicContact CG-CG2 3.83Å; Q85-I87 VanDerWaalsContact C-N 3.32Å; Q85-I87 PolarHBondContact NE2-O 3.18Å; Q85-I87 PolarHBondContact O-N 3.31Å; I87-S90 PolarHBondContact O-OG 3.09Å
88P88.9Confident94.8Very high90 Ų9026 Ų2658%0.58414%0.142SC*.THydrogen-bonded Turntrans-59.4156.1174.526.3-35.1000111.4S90P88-S90 PolarHBondContact O-N 3Å
89N90.1Very high95Very high66 Ų6624.6 Ų24.635%0.35314%0.135SC..THydrogen-bonded Turntrans61.7-19.7180-51.2-20.8000116.8W5 L6 C91W5-N89 WeakPolarHBondContact O-CB 3.49Å; W5-N89 PolarHBondContact O-ND2 2.84Å; L6-N89 WeakPolarHBondContact O-CB 3.27Å; N89-C91 PolarHBondContact O-N 2.95Å; N89-C91 PolarHBondContact O-SG 2.91Å
90S94.3Very high95.3Very high0 Ų018.4 Ų18.40%010%0.102CC..THydrogen-bonded Turntrans-69.17.7-17973.10000115.8I87 P88 A92 T93 H94I87-S90 PolarHBondContact O-OG 3.09Å; P88-S90 PolarHBondContact O-N 3Å; S90-A92 PolarHBondContact O-N 2.89Å; S90-T93 PolarHBondContact O-N 3.15Å; S90-H94 PolarHBondContact O-N 2.87Å; S90-H94 PolarHBondContact O-ND1 3.45Å; S90-H94 PolarHBondContact OG-CE1 2.8Å; S90-H94 PolarHBondContact OG-ND1 2.83Å
91C93.5Very high95.5Very high21 Ų2118 Ų1814%0.14210%0.1CC..Hα-helixtrans-59.4-44.7-173.349.90000113.5N89 T93 H94 A95 F170N89-C91 PolarHBondContact O-N 2.95Å; N89-C91 PolarHBondContact O-SG 2.91Å; C91-T93 VanDerWaalsContact C-N 3.33Å; C91-T93 PolarHBondContact O-N 3.46Å; C91-H94 PolarHBondContact O-N 3.32Å; C91-A95 WeakPolarHBondContact O-CB 3.36Å; C91-A95 PolarHBondContact O-N 3.46Å; C91-F170 HydrophobicContact CB-CD2 4Å
92A94.7Very high95.4Very high0 Ų019.1 Ų19.10%011%0.106CC..Hα-helixtrans-57.8-44.2177.200000112.2L8 F15 S90 A95 L96 F170L8-A92 HydrophobicContact CB-CB 4.35Å; L8-A92 HydrophobicContact CD1-CB 4.22Å; F15-A92 HydrophobicContact CE1-CB 3.88Å; F15-A92 HydrophobicContact CE2-CB 4.36Å; F15-A92 HydrophobicContact CZ-CB 3.51Å; S90-A92 PolarHBondContact O-N 2.89Å; A92-A95 PolarHBondContact O-N 3.21Å; A92-L96 WeakPolarHBondContact O-CG 3.41Å; A92-L96 PolarHBondContact O-N 3.49Å; A92-F170 HydrophobicContact CB-CD2 4.24Å; A92-F170 HydrophobicContact CB-CE2 3.98Å; A92-F170 HydrophobicContact CB-CZ 4.42Å
93T97.3Very high95.1Very high0 Ų019.9 Ų19.90%011%0.111CC..Hα-helixtrans-70.3-41.7177-66.30000112W5 F22 S90 C91 A95 L96 L97 H141W5-T93 HydrophobicContact CH2-CG2 4.03Å; W5-T93 HydrophobicContact CZ3-CG2 3.81Å; F22-T93 HydrophobicContact CE2-CG2 4.1Å; F22-T93 HydrophobicContact CZ-CG2 3.59Å; S90-T93 PolarHBondContact O-N 3.15Å; C91-T93 VanDerWaalsContact C-N 3.33Å; C91-T93 PolarHBondContact O-N 3.46Å; T93-A95 VanDerWaalsContact C-N 3.27Å; T93-A95 PolarHBondContact O-N 3.44Å; T93-L96 PolarHBondContact O-N 3.13Å; T93-L97 HydrophobicContact CG2-CD1 3.58Å; T93-L97 HydrophobicContact CG2-CG 4.03Å; T93-L97 WeakPolarHBondContact O-CB 3.41Å; T93-L97 WeakPolarHBondContact O-CG 3.43Å; T93-L97 PolarHBondContact O-N 3.36Å; T93-H141 PolarHBondContact OG1-ND1 3.43Å
94H97Very high94.4Very high6 Ų624.8 Ų24.83%0.02815%0.146CC..Hα-helixtrans-58.3-40.8174.2-80.174.3000111.6S90 C91 S98S90-H94 PolarHBondContact O-N 2.87Å; S90-H94 PolarHBondContact O-ND1 3.45Å; S90-H94 PolarHBondContact OG-CE1 2.8Å; S90-H94 PolarHBondContact OG-ND1 2.83Å; C91-H94 PolarHBondContact O-N 3.32Å; H94-S98 VanDerWaalsContact O-CB 3.24Å; H94-S98 WeakPolarHBondContact O-CB 3.41Å; H94-S98 PolarHBondContact O-N 2.95Å; H94-S98 PolarHBondContact O-OG 3.24Å
95A97.6Very high93.8Very high4 Ų428.9 Ų28.93%0.03317%0.169CC..Hα-helixtrans-65.1-48.3176.400000112.6I47 C91 A92 T93 L97 S98 V99 F170 S172I47-A95 HydrophobicContact CD1-CB 4.31Å; I47-A95 HydrophobicContact CG1-CB 4.31Å; I47-A95 HydrophobicContact CG2-CB 3.96Å; C91-A95 WeakPolarHBondContact O-CB 3.36Å; C91-A95 PolarHBondContact O-N 3.46Å; A92-A95 PolarHBondContact O-N 3.21Å; T93-A95 VanDerWaalsContact C-N 3.27Å; T93-A95 PolarHBondContact O-N 3.44Å; A95-L97 PolarHBondContact O-N 3.44Å; A95-S98 PolarHBondContact O-N 3.43Å; A95-V99 PolarHBondContact O-N 2.92Å; A95-V99 VanDerWaalsContact O-N 3.12Å; A95-F170 HydrophobicContact CB-CB 3.7Å; A95-S172 VanDerWaalsContact C-OG 3.26Å; A95-S172 WeakPolarHBondContact CA-OG 3.29Å; A95-S172 WeakPolarHBondContact CB-OG 3.42Å; A95-S172 PolarHBondContact O-OG 2.9Å
96L98.1Very high93.7Very high0 Ų028.7 Ų28.70%017%0.17CC..Hα-helixtrans-58.8-47.3176.3-76.5164.8000112.2F15 L18 V19 V29 I47 A92 T93 S98 V99 L100F15-L96 HydrophobicContact CB-CD1 4.38Å; F15-L96 HydrophobicContact CD2-CD1 4.02Å; F15-L96 HydrophobicContact CD2-CD2 4.1Å; F15-L96 HydrophobicContact CD2-CG 4.14Å; F15-L96 HydrophobicContact CE2-CD1 4.5Å; F15-L96 HydrophobicContact CG-CD1 4.14Å; L18-L96 HydrophobicContact CD2-CD1 3.78Å; L18-L96 HydrophobicContact CG-CD1 4.33Å; V19-L96 HydrophobicContact CG2-CD1 4.37Å; V19-L96 HydrophobicContact CG2-CD2 3.87Å; V29-L96 HydrophobicContact CG2-CD2 4.09Å; I47-L96 HydrophobicContact CD1-CB 4.46Å; I47-L96 HydrophobicContact CD1-CD2 3.55Å; I47-L96 HydrophobicContact CD1-CG 3.82Å; A92-L96 WeakPolarHBondContact O-CG 3.41Å; A92-L96 PolarHBondContact O-N 3.49Å; T93-L96 PolarHBondContact O-N 3.13Å; L96-S98 PolarHBondContact O-N 3.44Å; L96-V99 PolarHBondContact O-N 2.91Å; L96-L100 WeakPolarHBondContact O-CB 3.35Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.45Å; L96-L100 PolarHBondContact O-N 3.45Å
97L98.1Very high93.9Very high0 Ų029.6 Ų29.60%018%0.175CC..Hα-helixtrans-63.8-40.4177.6-66.7172000112F22 F81 T93 A95 V99 L100 L101 L112 M115 I131 L137F22-L97 HydrophobicContact CE2-CD2 4.4Å; F81-L97 HydrophobicContact CE1-CB 4.27Å; T93-L97 HydrophobicContact CG2-CD1 3.58Å; T93-L97 HydrophobicContact CG2-CG 4.03Å; T93-L97 WeakPolarHBondContact O-CB 3.41Å; T93-L97 WeakPolarHBondContact O-CG 3.43Å; T93-L97 PolarHBondContact O-N 3.36Å; A95-L97 PolarHBondContact O-N 3.44Å; L97-V99 PolarHBondContact O-N 3.19Å; L97-L100 PolarHBondContact O-N 3.39Å; L97-L101 HydrophobicContact CB-CD1 4.25Å; L97-L101 HydrophobicContact CD2-CD1 4.24Å; L97-L101 VanDerWaalsContact O-CB 3.27Å; L97-L101 WeakPolarHBondContact O-CB 3.5Å; L97-L101 WeakPolarHBondContact O-CG 3.2Å; L97-L101 PolarHBondContact O-N 3.25Å; L97-L112 HydrophobicContact CD2-CD1 3.91Å; L97-L112 HydrophobicContact CD2-CD2 3.52Å; L97-L112 HydrophobicContact CD2-CG 4.38Å; L97-M115 HydrophobicContact CD1-CE 3.83Å; L97-M115 HydrophobicContact CD2-CE 3.75Å; L97-M115 HydrophobicContact CG-CE 4.35Å; L97-I131 HydrophobicContact CD1-CD1 3.91Å; L97-I131 HydrophobicContact CD1-CG1 3.9Å; L97-I131 HydrophobicContact CD1-CG2 3.83Å; L97-L137 HydrophobicContact CD1-CD1 4.12Å
98S97.3Very high94.2Very high5 Ų528.1 Ų28.14%0.03517%0.167CC..Hα-helixtrans-64-24.6176.5-60.30000113H94 A95 L96 N102H94-S98 VanDerWaalsContact O-CB 3.24Å; H94-S98 WeakPolarHBondContact O-CB 3.41Å; H94-S98 PolarHBondContact O-N 2.95Å; H94-S98 PolarHBondContact O-OG 3.24Å; A95-S98 PolarHBondContact O-N 3.43Å; L96-S98 PolarHBondContact O-N 3.44Å; S98-N102 PolarHBondContact O-ND2 3.1Å
99V98Very high94.6Very high0 Ų024 Ų240%014%0.141CC..Hα-helixtrans-77.8-66.1165.9177.90000110.1I47 A95 L96 L97 L101 N102 C103 V174 V233I47-V99 HydrophobicContact CD1-CG2 4.45Å; I47-V99 HydrophobicContact CG1-CG2 4.01Å; A95-V99 PolarHBondContact O-N 2.92Å; A95-V99 VanDerWaalsContact O-N 3.12Å; L96-V99 PolarHBondContact O-N 2.91Å; L97-V99 PolarHBondContact O-N 3.19Å; V99-L101 VanDerWaalsContact C-N 3.31Å; V99-L101 PolarHBondContact O-N 3.27Å; V99-N102 PolarHBondContact O-N 2.87Å; V99-N102 VanDerWaalsContact O-N 3.09Å; V99-C103 PolarHBondContact O-N 2.94Å; V99-C103 PolarHBondContact O-SG 2.9Å; V99-V174 HydrophobicContact CB-CG1 4.27Å; V99-V174 HydrophobicContact CG1-CG1 4.41Å; V99-V174 HydrophobicContact CG2-CG1 3.98Å; V99-V233 HydrophobicContact CB-CG2 4.26Å; V99-V233 HydrophobicContact CG1-CB 3.92Å; V99-V233 HydrophobicContact CG1-CG1 4.19Å; V99-V233 HydrophobicContact CG1-CG2 3.95Å; V99-V233 HydrophobicContact CG2-CG2 4.26Å
100L97.8Very high94.9Very high0 Ų025 Ų250%015%0.152CC..Hα-helixtrans-53.6-44.5-168.6-68.9166.4000112.9V19 V24 V27 L96 L97 N102 C103 V106 L108 L112 V233V19-L100 HydrophobicContact CG2-CD1 4.19Å; V24-L100 HydrophobicContact CG1-CD2 4.18Å; V24-L100 HydrophobicContact CG2-CD1 4.31Å; V27-L100 HydrophobicContact CG1-CD2 4.25Å; V27-L100 HydrophobicContact CG2-CD2 4.45Å; L96-L100 WeakPolarHBondContact O-CB 3.35Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.45Å; L96-L100 PolarHBondContact O-N 3.45Å; L97-L100 PolarHBondContact O-N 3.39Å; L100-N102 VanDerWaalsContact C-N 3.33Å; L100-N102 PolarHBondContact O-N 3.48Å; L100-C103 WeakPolarHBondContact O-CB 3.47Å; L100-C103 PolarHBondContact O-N 3.42Å; L100-C103 VanDerWaalsContact O-N 3.17Å; L100-V106 HydrophobicContact CD2-CG1 4.31Å; L100-L108 HydrophobicContact CB-CD2 4.01Å; L100-L112 HydrophobicContact CD1-CD1 3.99Å; L100-V233 HydrophobicContact CD2-CG1 4.4Å
101L97.2Very high94.9Very high3 Ų326.3 Ų26.32%0.01616%0.159CC..THydrogen-bonded Turntrans-77.6-17.5-173.6-60.9-177.2000113.4F81 L97 V99 L108 L112 M115 K116F81-L101 HydrophobicContact CB-CB 3.82Å; F81-L101 HydrophobicContact CD1-CB 3.87Å; F81-L101 HydrophobicContact CD1-CD1 3.85Å; F81-L101 HydrophobicContact CD1-CG 4.41Å; F81-L101 HydrophobicContact CD2-CB 4.01Å; F81-L101 HydrophobicContact CD2-CD1 3.72Å; F81-L101 HydrophobicContact CE1-CD1 3.66Å; F81-L101 HydrophobicContact CE2-CD1 3.5Å; F81-L101 VanDerWaalsContact CE2-CD1 3.5Å; F81-L101 HydrophobicContact CG-CB 3.59Å; F81-L101 HydrophobicContact CG-CD1 3.89Å; F81-L101 HydrophobicContact CG-CG 4.38Å; F81-L101 HydrophobicContact CZ-CD1 3.48Å; F81-L101 VanDerWaalsContact CZ-CD1 3.48Å; L97-L101 HydrophobicContact CB-CD1 4.25Å; L97-L101 HydrophobicContact CD2-CD1 4.24Å; L97-L101 VanDerWaalsContact O-CB 3.27Å; L97-L101 WeakPolarHBondContact O-CB 3.5Å; L97-L101 WeakPolarHBondContact O-CG 3.2Å; L97-L101 PolarHBondContact O-N 3.25Å; V99-L101 VanDerWaalsContact C-N 3.31Å; V99-L101 PolarHBondContact O-N 3.27Å; L101-L108 HydrophobicContact CD2-CD1 3.9Å; L101-L108 HydrophobicContact CD2-CD2 4.11Å; L101-L112 HydrophobicContact CD2-CB 3.97Å; L101-M115 HydrophobicContact CD1-CE 3.69Å; L101-K116 HydrophobicContact CD2-CB 4.11Å; L101-K116 HydrophobicContact CD2-CD 4.25Å; L101-K116 WeakPolarHBondContact O-CE 3.12Å; L101-K116 PolarHBondContact O-NZ 2.98Å
102N96.4Very high95.1Very high34 Ų3425.3 Ų25.318%0.18215%0.153CC..THydrogen-bonded Turntrans-86.1-12.6169.3-71.6-59000112.9F81 S98 V99 L100 I176 L183F81-N102 PolarHBondContact N-OD1 3.42Å; F81-N102 PolarHBondContact O-ND2 3.01Å; S98-N102 PolarHBondContact O-ND2 3.1Å; V99-N102 PolarHBondContact O-N 2.87Å; V99-N102 VanDerWaalsContact O-N 3.09Å; L100-N102 VanDerWaalsContact C-N 3.33Å; L100-N102 PolarHBondContact O-N 3.48Å; N102-I176 HydrophobicContact CB-CD1 4.14Å; N102-I176 HydrophobicContact CB-CG1 4.33Å; N102-L183 WeakPolarHBondContact ND2-CD1 3.43Å
103C90.7Very high95.2Very high17 Ų1727.4 Ų27.412%0.11517%0.167CC..  trans-75.8151.6175-58.10000113.1Y44 V99 L100 V106 K116Y44-C103 HydrophobicContact CD1-CB 4.48Å; V99-C103 PolarHBondContact O-N 2.94Å; V99-C103 PolarHBondContact O-SG 2.9Å; L100-C103 WeakPolarHBondContact O-CB 3.47Å; L100-C103 PolarHBondContact O-N 3.42Å; L100-C103 VanDerWaalsContact O-N 3.17Å; C103-V106 HydrophobicContact CB-CG2 3.91Å; C103-K116 PolarHBondContact O-NZ 2.8Å
104S82.4Confident95.2Very high104 Ų10433.4 Ų33.473%0.72719%0.19SC*.SBendtrans-104.3-25.8171.6560000113.8
105N85.1Confident95.2Very high124 Ų12434 Ų3466%0.66319%0.193SC*.SBendtrans-105.942-166.6-59.74.8000112.1Y44Y44-N105 HydrophobicContact CE1-CB 4.32Å; Y44-N105 WeakPolarHBondContact CE1-O 3.35Å; Y44-N105 PolarHBondContact OH-O 3.26Å
106V92.6Very high95.1Very high23 Ų2337.1 Ų37.114%0.13921%0.206CC..SBendtrans-137.6133-175.1173.70000109.4V24 V27 Y44 L100 C103 L108V24-V106 HydrophobicContact CG1-CG1 3.67Å; V27-V106 HydrophobicContact CG2-CG1 3.67Å; V27-V106 HydrophobicContact CG2-CG2 4.17Å; Y44-V106 HydrophobicContact CD1-CG2 3.74Å; Y44-V106 HydrophobicContact CD2-CG2 4.26Å; Y44-V106 HydrophobicContact CE1-CG2 3.41Å; Y44-V106 VanDerWaalsContact CE1-CG2 3.41Å; Y44-V106 HydrophobicContact CE2-CG2 3.98Å; Y44-V106 HydrophobicContact CG-CG2 4.14Å; L100-V106 HydrophobicContact CD2-CG1 4.31Å; C103-V106 HydrophobicContact CB-CG2 3.91Å; V106-L108 HydrophobicContact CG1-CD2 4.02Å; V106-L108 HydrophobicContact CG1-CG 4.48Å; V106-L108 PolarHBondContact O-N 3.14Å; V106-L108 VanDerWaalsContact O-N 3.11Å
107D95.3Very high95Very high81 Ų8142.8 Ų42.843%0.43324%0.236SC..BIsolated β-bridgetrans-75.994.5164.9176.73.8000108.7V24 K25 G109V24-D107 WeakPolarHBondContact CA-O 3.37Å; V24-D107 WeakPolarHBondContact CG1-O 3.42Å; K25-D107 HydrophobicContact CB-CB 4.19Å; K25-D107 WeakPolarHBondContact CD-OD2 3.32Å; K25-D107 PolarHBondContact N-O 2.64Å; K25-D107 IonicContact NZ-OD1 3.23Å; K25-D107 IonicContact NZ-OD2 3.76Å; K25-D107 PolarHBondContact NZ-OD2 3.47Å; D107-G109 PolarHBondContact O-N 2.79Å; D107-G109 PolarHBondContact OD1-N 2.69Å
108L96.6Very high95Very high12 Ų1249.1 Ų49.16%0.06326%0.264CS..  trans-65.6-10.1179.5-71.6178.6000113.9L100 L101 V106 L112 K116L100-L108 HydrophobicContact CB-CD2 4.01Å; L101-L108 HydrophobicContact CD2-CD1 3.9Å; L101-L108 HydrophobicContact CD2-CD2 4.11Å; V106-L108 HydrophobicContact CG1-CD2 4.02Å; V106-L108 HydrophobicContact CG1-CG 4.48Å; V106-L108 PolarHBondContact O-N 3.14Å; V106-L108 VanDerWaalsContact O-N 3.11Å; L108-L112 HydrophobicContact CB-CB 4.09Å; L108-L112 HydrophobicContact CD2-CB 4.43Å; L108-L112 HydrophobicContact CD2-CD1 4.45Å; L108-L112 WeakPolarHBondContact O-CB 3.16Å; L108-K116 HydrophobicContact CD1-CD 3.7Å
109G96.1Very high95Very high4 Ų449 Ų494%0.04126%0.263CS..Hα-helixtrans65.8177-170.900000113.2G23 D107 T111 S113G23-G109 WeakPolarHBondContact O-CA 3.29Å; D107-G109 PolarHBondContact O-N 2.79Å; D107-G109 PolarHBondContact OD1-N 2.69Å; G109-T111 PolarHBondContact O-N 3.12Å; G109-S113 VanDerWaalsContact O-CB 3.24Å; G109-S113 WeakPolarHBondContact O-CB 3.3Å; G109-S113 PolarHBondContact O-N 3.01Å; G109-S113 PolarHBondContact O-OG 3.1Å
110P96.4Very high94.8Very high87 Ų8756.7 Ų56.757%0.56530%0.296SS*.Hα-helixtrans-70.9-32.4-170.629.1-35.6000112.8R114P110-R114 VanDerWaalsContact C-NH1 3.26Å; P110-R114 VanDerWaalsContact O-CG 3.3Å; P110-R114 WeakPolarHBondContact O-CG 3.24Å; P110-R114 PolarHBondContact O-N 2.66Å; P110-R114 VanDerWaalsContact O-N 3.15Å; P110-R114 PolarHBondContact O-NH1 3.1Å
111T95.9Very high94.7Very high27 Ų2758.8 Ų58.817%0.16632%0.318CS..Hα-helixtrans-75.2-52-174.6-66.20000112.4G109 S113 R114 M115 E136 L137G109-T111 PolarHBondContact O-N 3.12Å; T111-S113 VanDerWaalsContact C-N 3.32Å; T111-S113 PolarHBondContact O-N 3.47Å; T111-R114 PolarHBondContact O-N 3.12Å; T111-R114 PolarHBondContact OG1-NH2 2.98Å; T111-M115 PolarHBondContact O-N 3.39Å; T111-M115 VanDerWaalsContact O-N 3.1Å; T111-E136 WeakPolarHBondContact CB-OE2 3.5Å; T111-E136 HydrophobicContact CG2-CB 4.17Å; T111-E136 WeakPolarHBondContact CG2-OE2 3.36Å; T111-E136 PolarHBondContact OG1-OE2 3.14Å; T111-L137 HydrophobicContact CG2-CD2 4.13Å
112L97.3Very high94.7Very high0 Ų062 Ų620%033%0.332CS..Hα-helixtrans-70.1-29.9178.7-61.3-163.8000112.2F22 V24 L97 L100 L101 L108 M115 K116 L137F22-L112 HydrophobicContact CB-CD1 4.19Å; F22-L112 HydrophobicContact CB-CD2 4.39Å; F22-L112 HydrophobicContact CB-CG 4.23Å; F22-L112 HydrophobicContact CD2-CD1 4.33Å; V24-L112 HydrophobicContact CG2-CD1 3.48Å; V24-L112 VanDerWaalsContact CG2-CD1 3.48Å; V24-L112 HydrophobicContact CG2-CG 4.23Å; L97-L112 HydrophobicContact CD2-CD1 3.91Å; L97-L112 HydrophobicContact CD2-CD2 3.52Å; L97-L112 HydrophobicContact CD2-CG 4.38Å; L100-L112 HydrophobicContact CD1-CD1 3.99Å; L101-L112 HydrophobicContact CD2-CB 3.97Å; L108-L112 HydrophobicContact CB-CB 4.09Å; L108-L112 HydrophobicContact CD2-CB 4.43Å; L108-L112 HydrophobicContact CD2-CD1 4.45Å; L108-L112 WeakPolarHBondContact O-CB 3.16Å; L112-M115 HydrophobicContact CD2-CE 4.09Å; L112-M115 PolarHBondContact O-N 3.09Å; L112-K116 WeakPolarHBondContact O-CB 2.85Å; L112-K116 PolarHBondContact O-N 3.26Å; L112-L137 HydrophobicContact CD2-CD1 4.47Å; L112-L137 HydrophobicContact CD2-CD2 3.73Å
113S96.9Very high94.7Very high44 Ų4462.4 Ų62.431%0.30834%0.337SS..Hα-helixtrans-62.6-50.9171.3-57.30000111.6G109 T111 M115 K116 D117G109-S113 VanDerWaalsContact O-CB 3.24Å; G109-S113 WeakPolarHBondContact O-CB 3.3Å; G109-S113 PolarHBondContact O-N 3.01Å; G109-S113 PolarHBondContact O-OG 3.1Å; T111-S113 VanDerWaalsContact C-N 3.32Å; T111-S113 PolarHBondContact O-N 3.47Å; S113-M115 VanDerWaalsContact C-N 3.25Å; S113-M115 PolarHBondContact O-N 2.67Å; S113-K116 PolarHBondContact O-N 3.45Å; S113-K116 VanDerWaalsContact O-N 3.12Å; S113-D117 PolarHBondContact O-N 3.35Å
114R96.6Very high95Very high127 Ų12762.1 Ų62.148%0.47934%0.335SS..Hα-helixtrans-53.2-43.4174.4-77.2-169.5-48.3-83.89.3111.9P110 T111 F118 E136P110-R114 VanDerWaalsContact C-NH1 3.26Å; P110-R114 VanDerWaalsContact O-CG 3.3Å; P110-R114 WeakPolarHBondContact O-CG 3.24Å; P110-R114 PolarHBondContact O-N 2.66Å; P110-R114 VanDerWaalsContact O-N 3.15Å; P110-R114 PolarHBondContact O-NH1 3.1Å; T111-R114 PolarHBondContact O-N 3.12Å; T111-R114 PolarHBondContact OG1-NH2 2.98Å; R114-F118 WeakPolarHBondContact O-CB 3.36Å; R114-F118 PolarHBondContact O-N 3.21Å; R114-E136 IonicContact NH2-OE1 3.17Å; R114-E136 PolarHBondContact NH2-OE1 3.06Å; R114-E136 IonicContact NH2-OE2 2.64Å; R114-E136 PolarHBondContact NH2-OE2 2.99Å
115M96.6Very high95.7Very high17 Ų1761.7 Ų61.78%0.08432%0.322CS..Hα-helixtrans-69.1-39.2179.9-169.7168.871.400112.6L97 L101 T111 L112 S113 F118 T119 I131 L137L97-M115 HydrophobicContact CD1-CE 3.83Å; L97-M115 HydrophobicContact CD2-CE 3.75Å; L97-M115 HydrophobicContact CG-CE 4.35Å; L101-M115 HydrophobicContact CD1-CE 3.69Å; T111-M115 PolarHBondContact O-N 3.39Å; T111-M115 VanDerWaalsContact O-N 3.1Å; L112-M115 HydrophobicContact CD2-CE 4.09Å; L112-M115 PolarHBondContact O-N 3.09Å; S113-M115 VanDerWaalsContact C-N 3.25Å; S113-M115 PolarHBondContact O-N 2.67Å; M115-F118 PolarHBondContact O-N 3.02Å; M115-T119 HydrophobicContact CG-CG2 4.24Å; M115-T119 WeakPolarHBondContact O-CB 3.17Å; M115-T119 WeakPolarHBondContact O-CG2 3.4Å; M115-T119 PolarHBondContact O-N 2.62Å; M115-T119 PolarHBondContact O-OG1 3.5Å; M115-I131 HydrophobicContact CE-CG1 4.27Å; M115-I131 HydrophobicContact SD-CG1 4.2Å; M115-L137 HydrophobicContact CE-CD1 3.65Å; M115-L137 HydrophobicContact SD-CD1 3.66Å
116K95.9Very high96.3Very high70 Ų7058.1 Ų58.130%0.30431%0.306SS..Hα-helixtrans-62.2-42.8176.3-171.5166.8172.7162.80112L101 C103 L108 L112 S113 K120L101-K116 HydrophobicContact CD2-CB 4.11Å; L101-K116 HydrophobicContact CD2-CD 4.25Å; L101-K116 WeakPolarHBondContact O-CE 3.12Å; L101-K116 PolarHBondContact O-NZ 2.98Å; C103-K116 PolarHBondContact O-NZ 2.8Å; L108-K116 HydrophobicContact CD1-CD 3.7Å; L112-K116 WeakPolarHBondContact O-CB 2.85Å; L112-K116 PolarHBondContact O-N 3.26Å; S113-K116 PolarHBondContact O-N 3.45Å; S113-K116 VanDerWaalsContact O-N 3.12Å; K116-K120 PolarHBondContact O-N 2.99Å
117D96.4Very high96.5Very high119 Ų11957.2 Ų57.264%0.63630%0.301SS*.Hα-helixtrans-71.9-43.7177.9-67.3-33.9000111.8S113 T119 K120S113-D117 PolarHBondContact O-N 3.35Å; D117-T119 PolarHBondContact O-N 3.15Å; D117-K120 WeakPolarHBondContact O-CB 3.28Å; D117-K120 PolarHBondContact O-N 3.47Å
118F96.8Very high96.6Very high134 Ų13453.3 Ų53.359%0.58828%0.28SS*.Hα-helixtrans-62.5-38178.6174.5-110.5000113.3R114 M115 F122 A130R114-F118 WeakPolarHBondContact O-CB 3.36Å; R114-F118 PolarHBondContact O-N 3.21Å; M115-F118 PolarHBondContact O-N 3.02Å; F118-F122 HydrophobicContact CD1-CE2 4.3Å; F118-F122 AromaticContact CE1-CE2 3.85Å; F118-F122 HydrophobicContact CE1-CE2 3.85Å; F118-F122 HydrophobicContact CE1-CZ 4.2Å; F118-F122 HydrophobicContact CE2-CZ 4.25Å; F118-F122 HydrophobicContact CZ-CE2 4.07Å; F118-F122 HydrophobicContact CZ-CZ 4.04Å; F118-F122 VanDerWaalsContact O-CE1 3.23Å; F118-F122 WeakPolarHBondContact O-CE1 3.43Å; F118-F122 WeakPolarHBondContact O-CZ 3.29Å; F118-A130 HydrophobicContact CE1-CB 4.3Å
119T97.1Very high96.6Very high2 Ų258.6 Ų58.61%0.01230%0.3CS..THydrogen-bonded Turntrans-93.610.4-176.960.40000114.2F81 M115 D117 G121 F122 K127 A130F81-T119 WeakPolarHBondContact CE2-OG1 3.36Å; M115-T119 HydrophobicContact CG-CG2 4.24Å; M115-T119 WeakPolarHBondContact O-CB 3.17Å; M115-T119 WeakPolarHBondContact O-CG2 3.4Å; M115-T119 PolarHBondContact O-N 2.62Å; M115-T119 PolarHBondContact O-OG1 3.5Å; D117-T119 PolarHBondContact O-N 3.15Å; T119-G121 PolarHBondContact O-N 3.2Å; T119-F122 HydrophobicContact CG2-CD2 4.1Å; T119-F122 HydrophobicContact CG2-CE2 4.37Å; T119-F122 WeakPolarHBondContact O-CB 3.39Å; T119-F122 PolarHBondContact O-N 3.33Å; T119-F122 VanDerWaalsContact O-N 3.14Å; T119-K127 VanDerWaalsContact O-CE 3.26Å; T119-K127 WeakPolarHBondContact O-CE 3.34Å; T119-A130 HydrophobicContact CG2-CB 3.48Å; T119-A130 VanDerWaalsContact CG2-CB 3.48Å
120K95.5Very high96.6Very high162 Ų16259.3 Ų59.370%0.70431%0.306SS*.THydrogen-bonded Turntrans-65123.7180-173177.2-179.8179.90110.6K116 D117 F122K116-K120 PolarHBondContact O-N 2.99Å; D117-K120 WeakPolarHBondContact O-CB 3.28Å; D117-K120 PolarHBondContact O-N 3.47Å; K120-F122 VanDerWaalsContact C-N 3.26Å; K120-F122 PolarHBondContact O-N 2.8Å
121G94.2Very high96.6Very high44 Ų4455.2 Ų55.245%0.45428%0.279SS..THydrogen-bonded Turntrans772.6-176.800000115.1N78 T119N78-G121 PolarHBondContact O-N 3.27Å; T119-G121 PolarHBondContact O-N 3.2Å
122F97.1Very high96.6Very high69 Ų6954.4 Ų54.430%0.30328%0.276SS..  trans-72.3149.2175.5-79.823.9000111.7N78 F118 T119 K120 K127N78-F122 PolarHBondContact OD1-O 2.84Å; N78-F122 VanDerWaalsContact OD1-O 3.08Å; F118-F122 HydrophobicContact CD1-CE2 4.3Å; F118-F122 AromaticContact CE1-CE2 3.85Å; F118-F122 HydrophobicContact CE1-CE2 3.85Å; F118-F122 HydrophobicContact CE1-CZ 4.2Å; F118-F122 HydrophobicContact CE2-CZ 4.25Å; F118-F122 HydrophobicContact CZ-CE2 4.07Å; F118-F122 HydrophobicContact CZ-CZ 4.04Å; F118-F122 VanDerWaalsContact O-CE1 3.23Å; F118-F122 WeakPolarHBondContact O-CE1 3.43Å; F118-F122 WeakPolarHBondContact O-CZ 3.29Å; T119-F122 HydrophobicContact CG2-CD2 4.1Å; T119-F122 HydrophobicContact CG2-CE2 4.37Å; T119-F122 WeakPolarHBondContact O-CB 3.39Å; T119-F122 PolarHBondContact O-N 3.33Å; T119-F122 VanDerWaalsContact O-N 3.14Å; K120-F122 VanDerWaalsContact C-N 3.26Å; K120-F122 PolarHBondContact O-N 2.8Å; F122-K127 HydrophobicContact CB-CD 4.49Å; F122-K127 HydrophobicContact CB-CG 3.87Å; F122-K127 WeakPolarHBondContact O-CD 3.42Å; F122-K127 WeakPolarHBondContact O-CE 3.18Å; F122-K127 PolarHBondContact O-NZ 3.38Å
123S97.1Very high96.4Very high43 Ų4360 Ų6030%0.30131%0.306SS..  trans-60.5156.1169.170.50000111.8N78 E125 S126 K127N78-S123 WeakPolarHBondContact OD1-CA 3.3Å; S123-E125 PolarHBondContact O-N 3.28Å; S123-S126 WeakPolarHBondContact O-CB 3.27Å; S123-S126 PolarHBondContact O-N 2.99Å; S123-S126 WeakPolarHBondContact OG-CB 3.41Å; S123-S126 PolarHBondContact OG-N 2.85Å; S123-S126 PolarHBondContact OG-OG 3.42Å; S123-K127 PolarHBondContact O-N 3.5Å
124P97.3Very high96.3Very high11 Ų1158.9 Ų58.97%0.07130%0.299CS..Hα-helixtrans-59.2-34178.9-2736.7000113.8V77 F82 A83 H84 K127 G128V77-P124 HydrophobicContact CG1-CG 3.44Å; V77-P124 VanDerWaalsContact CG1-CG 3.44Å; F82-P124 HydrophobicContact CD1-CB 3.68Å; F82-P124 HydrophobicContact CD1-CG 3.56Å; F82-P124 HydrophobicContact CE1-CB 3.89Å; F82-P124 HydrophobicContact CE1-CG 4Å; F82-P124 WeakPolarHBondContact O-CA 3.49Å; A83-P124 WeakPolarHBondContact CA-O 3.38Å; H84-P124 PolarHBondContact N-O 3.08Å; P124-K127 PolarHBondContact O-N 2.83Å; P124-G128 PolarHBondContact O-N 3.5Å
125E96.4Very high96.2Very high96 Ų9657 Ų5745%0.44930%0.303SS..Hα-helixtrans-64.4-46.9172-174.6-179.7-163.800111.4H84 L86 S123 K127 G128 Y129H84-E125 PolarHBondContact ND1-N 3.43Å; L86-E125 HydrophobicContact CD1-CG 3.96Å; L86-E125 WeakPolarHBondContact CD1-O 3.47Å; L86-E125 HydrophobicContact CD2-CG 4.41Å; S123-E125 PolarHBondContact O-N 3.28Å; E125-K127 VanDerWaalsContact C-N 3.31Å; E125-K127 PolarHBondContact O-N 3.45Å; E125-G128 CarbonylContact O-C 3.57Å; E125-G128 WeakPolarHBondContact O-CA 3.4Å; E125-G128 PolarHBondContact O-N 2.94Å; E125-Y129 HydrophobicContact CG-CD2 3.99Å; E125-Y129 HydrophobicContact CG-CE2 3.72Å; E125-Y129 WeakPolarHBondContact O-CD2 3.39Å; E125-Y129 PolarHBondContact O-N 2.98Å
126S97.5Very high96.1Very high48 Ų4860.8 Ų60.834%0.33632%0.321SS..Hα-helixtrans-63.5-36.4177.1-58.30000112.1S123 Y129 A130S123-S126 WeakPolarHBondContact O-CB 3.27Å; S123-S126 PolarHBondContact O-N 2.99Å; S123-S126 WeakPolarHBondContact OG-CB 3.41Å; S123-S126 PolarHBondContact OG-N 2.85Å; S123-S126 PolarHBondContact OG-OG 3.42Å; S126-Y129 PolarHBondContact O-N 3.17Å; S126-A130 WeakPolarHBondContact O-CB 3.18Å; S126-A130 PolarHBondContact O-N 3.3Å
127K98.1Very high96.2Very high4 Ų457.5 Ų57.52%0.01731%0.307CS..Hα-helixtrans-63.4-41.5170.9-74.8163.1176.5154.60111.1N78 M80 F81 F82 A83 T119 F122 S123 P124 E125 A130 I131N78-K127 PolarHBondContact O-NZ 3.47Å; M80-K127 PolarHBondContact O-NZ 2.95Å; F81-K127 HydrophobicContact CE2-CG 4.36Å; F82-K127 WeakPolarHBondContact O-CD 3.23Å; A83-K127 HydrophobicContact CB-CB 3.7Å; T119-K127 VanDerWaalsContact O-CE 3.26Å; T119-K127 WeakPolarHBondContact O-CE 3.34Å; F122-K127 HydrophobicContact CB-CD 4.49Å; F122-K127 HydrophobicContact CB-CG 3.87Å; F122-K127 WeakPolarHBondContact O-CD 3.42Å; F122-K127 WeakPolarHBondContact O-CE 3.18Å; F122-K127 PolarHBondContact O-NZ 3.38Å; S123-K127 PolarHBondContact O-N 3.5Å; P124-K127 PolarHBondContact O-N 2.83Å; E125-K127 VanDerWaalsContact C-N 3.31Å; E125-K127 PolarHBondContact O-N 3.45Å; K127-A130 PolarHBondContact O-N 3Å; K127-I131 WeakPolarHBondContact O-CG1 3.39Å; K127-I131 PolarHBondContact O-N 3.12Å
128G96.5Very high96.1Very high0 Ų052.4 Ų52.40%028%0.281CS..Hα-helixtrans-59.7-46.8173.100000113.3H84 P124 E125 A130 I131 G132H84-G128 WeakPolarHBondContact O-CA 3.37Å; P124-G128 PolarHBondContact O-N 3.5Å; E125-G128 CarbonylContact O-C 3.57Å; E125-G128 WeakPolarHBondContact O-CA 3.4Å; E125-G128 PolarHBondContact O-N 2.94Å; G128-A130 VanDerWaalsContact C-N 3.33Å; G128-A130 PolarHBondContact O-N 2.73Å; G128-I131 PolarHBondContact O-N 3.47Å; G128-G132 PolarHBondContact O-N 3.44Å
129Y96.8Very high96Very high123 Ų12353.8 Ų53.848%0.48229%0.286SS..Hα-helixtrans-62.4-37.3174.2-80.1-60.7000112.7L86 E125 S126 G132 N133L86-Y129 HydrophobicContact CD1-CD1 3.74Å; L86-Y129 HydrophobicContact CD1-CD2 3.44Å; L86-Y129 VanDerWaalsContact CD1-CD2 3.44Å; L86-Y129 HydrophobicContact CD1-CE1 3.75Å; L86-Y129 HydrophobicContact CD1-CE2 3.46Å; L86-Y129 VanDerWaalsContact CD1-CE2 3.46Å; L86-Y129 HydrophobicContact CD1-CG 3.58Å; E125-Y129 HydrophobicContact CG-CD2 3.99Å; E125-Y129 HydrophobicContact CG-CE2 3.72Å; E125-Y129 WeakPolarHBondContact O-CD2 3.39Å; E125-Y129 PolarHBondContact O-N 2.98Å; S126-Y129 PolarHBondContact O-N 3.17Å; Y129-G132 PolarHBondContact O-N 3Å; Y129-N133 WeakPolarHBondContact O-CB 3.13Å; Y129-N133 PolarHBondContact O-N 3.12Å; Y129-N133 PolarHBondContact O-ND2 2.91Å
130A96.9Very high96Very high19 Ų1954 Ų5416%0.15729%0.288CS..Hα-helixtrans-64.5-42.4176.200000112.2F118 T119 S126 K127 G128 A134F118-A130 HydrophobicContact CE1-CB 4.3Å; T119-A130 HydrophobicContact CG2-CB 3.48Å; T119-A130 VanDerWaalsContact CG2-CB 3.48Å; S126-A130 WeakPolarHBondContact O-CB 3.18Å; S126-A130 PolarHBondContact O-N 3.3Å; K127-A130 PolarHBondContact O-N 3Å; G128-A130 VanDerWaalsContact C-N 3.33Å; G128-A130 PolarHBondContact O-N 2.73Å; A130-A134 PolarHBondContact O-N 2.91Å
131I96.7Very high96.1Very high0 Ų046.2 Ų46.20%026%0.255CS..Hα-helixtrans-63.3-49.1174.1-62.3165.6000110.3W5 F81 A83 L97 M115 K127 G128 N133 A134W5-I131 HydrophobicContact CH2-CG2 4.11Å; W5-I131 HydrophobicContact CZ2-CG2 4.47Å; F81-I131 HydrophobicContact CE1-CD1 4.11Å; F81-I131 HydrophobicContact CZ-CD1 3.95Å; F81-I131 HydrophobicContact CZ-CG1 4.31Å; A83-I131 HydrophobicContact CB-CD1 3.75Å; L97-I131 HydrophobicContact CD1-CD1 3.91Å; L97-I131 HydrophobicContact CD1-CG1 3.9Å; L97-I131 HydrophobicContact CD1-CG2 3.83Å; M115-I131 HydrophobicContact CE-CG1 4.27Å; M115-I131 HydrophobicContact SD-CG1 4.2Å; K127-I131 WeakPolarHBondContact O-CG1 3.39Å; K127-I131 PolarHBondContact O-N 3.12Å; G128-I131 PolarHBondContact O-N 3.47Å; I131-N133 VanDerWaalsContact C-N 3.25Å; I131-N133 PolarHBondContact O-N 3.19Å; I131-A134 WeakPolarHBondContact O-CB 3.39Å; I131-A134 PolarHBondContact O-N 3.34Å; I131-A134 VanDerWaalsContact O-N 3.12Å
132G94.3Very high96.1Very high10 Ų1046 Ų4610%0.10324%0.243CC..Hα-helixtrans-61.9-30.4-176.600000114.4G128 Y129G128-G132 PolarHBondContact O-N 3.44Å; Y129-G132 PolarHBondContact O-N 3Å
133N93.9Very high95.9Very high119 Ų11945.4 Ų45.464%0.63625%0.247SC*.THydrogen-bonded Turntrans-94.75.7178.1-69.9-70.7000114.2Y129 I131 P135Y129-N133 WeakPolarHBondContact O-CB 3.13Å; Y129-N133 PolarHBondContact O-N 3.12Å; Y129-N133 PolarHBondContact O-ND2 2.91Å; I131-N133 VanDerWaalsContact C-N 3.25Å; I131-N133 PolarHBondContact O-N 3.19Å; N133-P135 WeakPolarHBondContact O-CD 3.43Å
134A95.1Very high95.8Very high19 Ų1943.8 Ų43.816%0.15724%0.235CC..  trans-85.4101.9176.700000111.2A130 I131 E136 L137 A138A130-A134 PolarHBondContact O-N 2.91Å; I131-A134 WeakPolarHBondContact O-CB 3.39Å; I131-A134 PolarHBondContact O-N 3.34Å; I131-A134 VanDerWaalsContact O-N 3.12Å; A134-E136 VanDerWaalsContact C-N 3.27Å; A134-E136 PolarHBondContact O-N 3.39Å; A134-L137 HydrophobicContact CB-CB 4.15Å; A134-L137 HydrophobicContact CB-CD1 3.78Å; A134-L137 HydrophobicContact CB-CG 3.83Å; A134-L137 PolarHBondContact O-N 3.37Å; A134-A138 PolarHBondContact O-N 3.37Å
135P94.1Very high95.6Very high88 Ų8843.5 Ų43.557%0.57123%0.234SC*.Hα-helixtrans-68.2-28-174.429.7-36.8000112.5N133 K139N133-P135 WeakPolarHBondContact O-CD 3.43Å; P135-K139 WeakPolarHBondContact O-CB 3.37Å; P135-K139 PolarHBondContact O-N 3.24Å
136E95.4Very high95Very high96 Ų9645.9 Ų45.945%0.44924%0.238SC..Hα-helixtrans-60.7-45.3174.8-62.4176.1-14900110.7T111 R114 A134 A140T111-E136 WeakPolarHBondContact CB-OE2 3.5Å; T111-E136 HydrophobicContact CG2-CB 4.17Å; T111-E136 WeakPolarHBondContact CG2-OE2 3.36Å; T111-E136 PolarHBondContact OG1-OE2 3.14Å; R114-E136 IonicContact NH2-OE1 3.17Å; R114-E136 PolarHBondContact NH2-OE1 3.06Å; R114-E136 IonicContact NH2-OE2 2.64Å; R114-E136 PolarHBondContact NH2-OE2 2.99Å; A134-E136 VanDerWaalsContact C-N 3.27Å; A134-E136 PolarHBondContact O-N 3.39Å; E136-A140 PolarHBondContact O-N 3.1Å; E136-A140 VanDerWaalsContact O-N 3.15Å
137L96.4Very high94Very high2 Ų246 Ų461%0.0124%0.239CC..Hα-helixtrans-73.9-44.1-179.8-53.8-177.3000112W5 F22 L97 T111 L112 M115 A134 K139 A140 H141W5-L137 HydrophobicContact CH2-CB 4.09Å; F22-L137 HydrophobicContact CD1-CD2 3.53Å; F22-L137 HydrophobicContact CE1-CB 4.18Å; F22-L137 HydrophobicContact CE1-CD2 3.7Å; F22-L137 HydrophobicContact CG-CD2 4.03Å; F22-L137 HydrophobicContact CZ-CD2 4.34Å; L97-L137 HydrophobicContact CD1-CD1 4.12Å; T111-L137 HydrophobicContact CG2-CD2 4.13Å; L112-L137 HydrophobicContact CD2-CD1 4.47Å; L112-L137 HydrophobicContact CD2-CD2 3.73Å; M115-L137 HydrophobicContact CE-CD1 3.65Å; M115-L137 HydrophobicContact SD-CD1 3.66Å; A134-L137 HydrophobicContact CB-CB 4.15Å; A134-L137 HydrophobicContact CB-CD1 3.78Å; A134-L137 HydrophobicContact CB-CG 3.83Å; A134-L137 PolarHBondContact O-N 3.37Å; L137-K139 VanDerWaalsContact C-N 3.26Å; L137-K139 PolarHBondContact O-N 2.93Å; L137-A140 PolarHBondContact O-N 3.15Å; L137-H141 VanDerWaalsContact O-CB 3.23Å; L137-H141 WeakPolarHBondContact O-CB 3.39Å; L137-H141 PolarHBondContact O-N 2.67Å
138A95.3Very high92.6Very high11 Ų1152 Ų529%0.09127%0.266CS..Hα-helixtrans-61.9-34.6176.500000112.1W5 A134 N142W5-A138 HydrophobicContact CD2-CB 4.37Å; W5-A138 HydrophobicContact CH2-CB 4.48Å; W5-A138 HydrophobicContact CZ2-CB 3.73Å; A134-A138 PolarHBondContact O-N 3.37Å; A138-N142 VanDerWaalsContact O-CB 3.26Å; A138-N142 WeakPolarHBondContact O-CB 3.42Å; A138-N142 VanDerWaalsContact O-CG 3.22Å; A138-N142 PolarHBondContact O-N 3.45Å; A138-N142 PolarHBondContact O-ND2 3.11Å
139K95.3Very high90.7Very high163 Ų16357.1 Ų57.171%0.70930%0.3SS*.Hα-helixtrans-66.5-53.8174.3-176.5-169.6173.5-163.10111.3P135 L137 H141 N142 S143P135-K139 WeakPolarHBondContact O-CB 3.37Å; P135-K139 PolarHBondContact O-N 3.24Å; L137-K139 VanDerWaalsContact C-N 3.26Å; L137-K139 PolarHBondContact O-N 2.93Å; K139-H141 VanDerWaalsContact C-N 3.31Å; K139-H141 PolarHBondContact O-N 3.11Å; K139-N142 PolarHBondContact O-N 2.95Å; K139-S143 PolarHBondContact O-N 2.94Å; K139-S143 PolarHBondContact O-OG 2.56Å; K139-S143 VanDerWaalsContact O-OG 3.09Å
140A96.6Very high88.6Confident6 Ų659.2 Ų59.25%0.0531%0.307CS..Hα-helixtrans-61.5-38.4-179.600000112.5L18 D21 F22 E136 L137 S143 H144L18-A140 HydrophobicContact CD1-CB 4.12Å; D21-A140 HydrophobicContact CB-CB 3.99Å; F22-A140 HydrophobicContact CD1-CB 3.9Å; F22-A140 HydrophobicContact CE1-CB 3.86Å; E136-A140 PolarHBondContact O-N 3.1Å; E136-A140 VanDerWaalsContact O-N 3.15Å; L137-A140 PolarHBondContact O-N 3.15Å; A140-S143 WeakPolarHBondContact CA-OG 3.28Å; A140-S143 PolarHBondContact O-OG 3.26Å; A140-H144 PolarHBondContact O-CD2 3.19Å; A140-H144 VanDerWaalsContact O-CD2 3.29Å
141H96.3Very high86.2Confident0 Ų067.3 Ų67.30%034%0.341CS..Hα-helixtrans-61.3-53172-177.4102.8000111.2W5 L6 L8 L18 T93 L137 K139 S143 H144W5-H141 HydrophobicContact CE3-CB 3.88Å; W5-H141 AromaticContact CE3-CD2 3.52Å; W5-H141 AromaticContact CE3-CE1 3.71Å; W5-H141 AromaticContact CE3-CG 3.42Å; W5-H141 VanDerWaalsContact CE3-CG 3.42Å; W5-H141 AromaticContact CE3-ND1 3.54Å; W5-H141 AromaticContact CE3-NE2 3.67Å; W5-H141 HydrophobicContact CZ3-CB 3.78Å; W5-H141 AromaticContact CZ3-CG 3.66Å; W5-H141 AromaticContact CZ3-ND1 3.62Å; L6-H141 PolarHBondContact O-NE2 3.48Å; L8-H141 WeakPolarHBondContact CD1-CE1 3.01Å; L8-H141 VanDerWaalsContact CD1-ND1 3.34Å; L8-H141 WeakPolarHBondContact CD1-ND1 3.29Å; L18-H141 HydrophobicContact CD1-CB 4.48Å; T93-H141 PolarHBondContact OG1-ND1 3.43Å; L137-H141 VanDerWaalsContact O-CB 3.23Å; L137-H141 WeakPolarHBondContact O-CB 3.39Å; L137-H141 PolarHBondContact O-N 2.67Å; K139-H141 VanDerWaalsContact C-N 3.31Å; K139-H141 PolarHBondContact O-N 3.11Å; H141-S143 VanDerWaalsContact C-N 3.3Å; H141-S143 PolarHBondContact O-N 3.23Å; H141-H144 PolarHBondContact O-N 3.44Å
142N94.5Very high83.9Confident39 Ų3974.9 Ų74.921%0.20938%0.38CS..Hα-helixtrans-70.6-18.5-176.9-72.2-22.3000114.2G4 W5 L6 A138 K139 H144G4-N142 PolarHBondContact O-ND2 3.47Å; W5-N142 WeakPolarHBondContact CA-OD1 3.39Å; L6-N142 HydrophobicContact CD1-CB 4.46Å; L6-N142 PolarHBondContact N-OD1 2.99Å; A138-N142 VanDerWaalsContact O-CB 3.26Å; A138-N142 WeakPolarHBondContact O-CB 3.42Å; A138-N142 VanDerWaalsContact O-CG 3.22Å; A138-N142 PolarHBondContact O-N 3.45Å; A138-N142 PolarHBondContact O-ND2 3.11Å; K139-N142 PolarHBondContact O-N 2.95Å; N142-H144 VanDerWaalsContact C-N 3.33Å
143S94.2Very high81.5Confident56 Ų5679.4 Ų79.439%0.39241%0.408SS..Hα-helixtrans-73.5-21.9173.440.20000114K139 A140 H141 T668K139-S143 PolarHBondContact O-N 2.94Å; K139-S143 PolarHBondContact O-OG 2.56Å; K139-S143 VanDerWaalsContact O-OG 3.09Å; A140-S143 WeakPolarHBondContact CA-OG 3.28Å; A140-S143 PolarHBondContact O-OG 3.26Å; H141-S143 VanDerWaalsContact C-N 3.3Å; H141-S143 PolarHBondContact O-N 3.23Å; S143-T668 WeakPolarHBondContact O-CG2 3.33Å
144H94.8Very high79.2Confident9 Ų982.6 Ų82.64%0.04242%0.419CS..SBendtrans-94.4-5.8175.3-71.2-56000114L8 L14 L18 A140 H141 N142 D664L8-H144 HydrophobicContact CD2-CB 4.1Å; L14-H144 HydrophobicContact CD1-CB 4.24Å; L14-H144 HydrophobicContact CD2-CB 3.8Å; L14-H144 HydrophobicContact CG-CB 3.86Å; L18-H144 PolarHBondContact N-NE2 3.29Å; A140-H144 PolarHBondContact O-CD2 3.19Å; A140-H144 VanDerWaalsContact O-CD2 3.29Å; H141-H144 PolarHBondContact O-N 3.44Å; N142-H144 VanDerWaalsContact C-N 3.33Å; H144-D664 IonicContact CE1-OD1 3.85Å; H144-D664 IonicContact CE1-OD2 3.5Å; H144-D664 PolarHBondContact CE1-OD2 3.38Å; H144-D664 IonicContact CG-OD1 3.18Å; H144-D664 IonicContact ND1-OD1 2.71Å; H144-D664 PolarHBondContact ND1-OD1 3.38Å; H144-D664 IonicContact ND1-OD2 3.32Å; H144-D664 PolarHBondContact ND1-OD2 2.84Å
145A92Very high76.7Confident6 Ų690.4 Ų90.45%0.0545%0.45CS..SBendtrans-76.9153.3176.900000111.8L6 L8L6-A145 HydrophobicContact CB-CB 3.44Å; L6-A145 VanDerWaalsContact CB-CB 3.44Å; L6-A145 HydrophobicContact CD1-CB 3.83Å; L6-A145 HydrophobicContact CG-CB 4.27Å; L8-A145 HydrophobicContact CD2-CB 3.89Å
146R85.1Confident74.3Confident145 Ų14595 Ų9555%0.54746%0.463SS..PPolyproline II helixtrans-62.2141.9168.1-69.6-179.2178.7-95.9-0.8109.3E9 E148 R667E9-R146 IonicContact OE1-CZ 2.95Å; E9-R146 IonicContact OE1-NE 3.08Å; E9-R146 PolarHBondContact OE1-NE 3.45Å; E9-R146 IonicContact OE1-NH2 3.86Å; E9-R146 PolarHBondContact OE1-NH2 3.05Å; E9-R146 IonicContact OE2-NH2 2.73Å; R146-E148 PolarHBondContact O-N 3.34Å; R146-R667 HydrophobicContact CG-CG 4.03Å
147P76.6Confident71.4Confident52 Ų5297.8 Ų97.834%0.33848%0.481SS..PPolyproline II helixtrans-56.8131.5169.9-23.834.2000110.5T668 N670P147-T668 WeakPolarHBondContact CD-O 3.43Å; P147-T668 WeakPolarHBondContact CG-O 3.4Å; P147-N670 HydrophobicContact CB-CB 4.43Å; P147-N670 HydrophobicContact CG-CB 4.19Å
148E67.1Low68.5Low128 Ų128101.1 Ų101.160%0.59852%0.517SS*.PPolyproline II helixtrans-58.4129.2168.6-67-176.3122.900109.1L6 R146 R150L6-E148 HydrophobicContact CD2-CG 3.67Å; R146-E148 PolarHBondContact O-N 3.34Å; E148-R150 PolarHBondContact O-N 3.31Å
149P56.5Low66Low108 Ų108109 Ų10970%0.70156%0.556SS**PPolyproline II helixtrans-56.2126.3174.1-24.934.3000109.9H151P149-H151 PolarHBondContact O-N 3.42Å
150R53.6Low63.1Low167 Ų167106.2 Ų106.263%0.6356%0.557SS**PPolyproline II helixtrans-52.4126.6176.8-65.8177.7-179.81642.6108.7E148 L152E148-R150 PolarHBondContact O-N 3.31Å; R150-L152 PolarHBondContact O-N 3.33Å
151H46.6Very low60.4Low190 Ų190109.8 Ų109.888%0.8859%0.586SS**  trans-42.999.9-172.6-80-175.3000113P149P149-H151 PolarHBondContact O-N 3.42Å
152L48.1Very low57.5Low158 Ų158116.6 Ų116.683%0.82763%0.628SS**  trans-62.8123.9154.6-73.1172.3000105.7R150 E154R150-L152 PolarHBondContact O-N 3.33Å; L152-E154 PolarHBondContact O-N 3.08Å
153P44Very low54.8Low105 Ų105125.2 Ų125.268%0.68266%0.658SS**  trans-58.8118.6-173.222-32.9000109.4K155P153-K155 PolarHBondContact O-N 2.94Å
154E46.8Very low52.3Low187 Ų187128.4 Ų128.487%0.87468%0.675SS**  trans-62.898.1-172.4-171.8-178.8-168.800109.7L152 Q156L152-E154 PolarHBondContact O-N 3.08Å; E154-Q156 VanDerWaalsContact C-N 3.29Å; E154-Q156 PolarHBondContact O-N 3.33Å
155K41.3Very low50.4Low183 Ų183136.8 Ų136.880%0.79672%0.716SS**  trans-72.691.7174.2-77.3-174.9177.1176.20108.1P153 N157P153-K155 PolarHBondContact O-N 2.94Å; K155-N157 PolarHBondContact O-N 3.14Å
156Q43.5Very low48.9Very low183 Ų183140.2 Ų140.286%0.85573%0.731SS**  trans-54.776.5169.5-173.5-176.465.700111E154E154-Q156 VanDerWaalsContact C-N 3.29Å; E154-Q156 PolarHBondContact O-N 3.33Å
157N34.8Very low48.5Very low155 Ų155135.7 Ų135.783%0.82973%0.725SS**  trans-163.396.9-175.3-104.8-47.9000110.5K155K155-N157 PolarHBondContact O-N 3.14Å
158G36.2Very low49Very low73 Ų73136.9 Ų136.975%0.75373%0.725SS**  trans107106.8172.900000113.5S160G158-S160 PolarHBondContact O-N 3.14Å
159L43.4Very low50.2Low177 Ų177131 Ų13193%0.92770%0.697SS**  trans-60.6101.2170.4-69.3160.4000110.1A161L159-A161 PolarHBondContact O-N 3.35Å
160S33.8Very low52Low104 Ų104126.3 Ų126.373%0.72767%0.666SS**  trans-7761.9169.8-175.50000111G158G158-S160 PolarHBondContact O-N 3.14Å
161A38.9Very low54Low80 Ų80118.4 Ų118.466%0.66164%0.636SS**  trans-54.6156.7157.500000109.5L159L159-A161 PolarHBondContact O-N 3.35Å
162V36.9Very low56.4Low144 Ų144109.3 Ų109.387%0.87359%0.594SS**SBendtrans74.529.8-174.1-154.50000114.6
163R37.8Very low58.8Low220 Ų220101.8 Ų101.883%0.8356%0.555SS**  trans-129.887.9138.1-78.5-167.3178.2-179.8-0.6110.2M165R163-M165 PolarHBondContact O-N 2.92Å
164T40.8Very low61.3Low122 Ų12296.9 Ų96.975%0.74852%0.522SS*.  trans-64108.5155.147.10000106.9E166T164-E166 PolarHBondContact O-N 3.46Å; T164-E166 VanDerWaalsContact O-N 3.16Å
165M53.7Low63.6Low185 Ų18589.8 Ų89.891%0.91149%0.493SS*.  trans-58.4121.3171.4-81.3179.1159.400108.3R163 A167R163-M165 PolarHBondContact O-N 2.92Å; M165-A167 VanDerWaalsContact C-N 3.31Å; M165-A167 PolarHBondContact O-N 2.71Å
166E62.3Low66.1Low78 Ų7882.5 Ų82.536%0.36446%0.462SS..  trans-78.787178.1-57.4-149.8144.800107.8K51 T164 F168 R227K51-E166 HydrophobicContact CD-CB 4.31Å; K51-E166 VanDerWaalsContact CE-CD 3.49Å; K51-E166 IonicContact NZ-OE1 3.09Å; K51-E166 PolarHBondContact NZ-OE1 3.23Å; K51-E166 IonicContact NZ-OE2 2.63Å; K51-E166 PolarHBondContact NZ-OE2 3.49Å; T164-E166 PolarHBondContact O-N 3.46Å; T164-E166 VanDerWaalsContact O-N 3.16Å; E166-F168 HydrophobicContact CB-CE2 4.17Å; E166-F168 WeakPolarHBondContact O-CD2 3.22Å; E166-F168 VanDerWaalsContact O-CE2 3.3Å; E166-F168 WeakPolarHBondContact O-CE2 3.21Å; E166-R227 VanDerWaalsContact CD-NH1 3.26Å; E166-R227 IonicContact OE1-NH1 3.34Å; E166-R227 PolarHBondContact OE1-NH1 2.99Å; E166-R227 WeakPolarHBondContact OE2-CD 3.23Å; E166-R227 IonicContact OE2-CZ 3.71Å; E166-R227 IonicContact OE2-NE 3.27Å; E166-R227 IonicContact OE2-NH1 3.17Å; E166-R227 PolarHBondContact OE2-NH1 3.38Å
167A75.1Confident68.4Low50 Ų5080.1 Ų80.141%0.41346%0.46SS..  trans-58.7140174.500000110.3W52 M165W52-A167 HydrophobicContact CB-CB 4.15Å; W52-A167 WeakPolarHBondContact CB-O 3.34Å; W52-A167 PolarHBondContact N-O 3.22Å; M165-A167 VanDerWaalsContact C-N 3.31Å; M165-A167 PolarHBondContact O-N 2.71Å
168F87.8Confident71Confident77 Ų7774.4 Ų74.434%0.33844%0.438SS..EExtended strand (participates in β ladder)trans-117.3149.6175.2-77.2-90.6000109.7L49 K51 E166 R227L49-F168 HydrophobicContact CD1-CB 3.7Å; L49-F168 HydrophobicContact CD1-CD1 4.41Å; L49-F168 HydrophobicContact CD2-CB 4.46Å; L49-F168 HydrophobicContact CD2-CD1 4.28Å; L49-F168 HydrophobicContact CG-CB 4.28Å; L49-F168 HydrophobicContact CG-CD1 4.12Å; K51-F168 HydrophobicContact CB-CD1 4.26Å; K51-F168 HydrophobicContact CB-CE1 3.95Å; K51-F168 HydrophobicContact CB-CZ 4.4Å; E166-F168 HydrophobicContact CB-CE2 4.17Å; E166-F168 WeakPolarHBondContact O-CD2 3.22Å; E166-F168 VanDerWaalsContact O-CE2 3.3Å; E166-F168 WeakPolarHBondContact O-CE2 3.21Å; F168-R227 HydrophobicContact CE1-CB 3.96Å; F168-R227 HydrophobicContact CZ-CB 4.16Å
169H91.5Very high73.8Confident4 Ų475.6 Ų75.62%0.01942%0.42CS..EExtended strand (participates in β ladder)trans-136137.7-178.9-172.448.5000113.4L49 F50 W52 D184L49-H169 WeakPolarHBondContact CA-O 3.46Å; L49-H169 VanDerWaalsContact CD1-C 3.44Å; L49-H169 VanDerWaalsContact CD1-O 3.27Å; L49-H169 WeakPolarHBondContact CD1-O 3.37Å; F50-H169 HydrophobicContact CZ-CB 4.45Å; F50-H169 PolarHBondContact N-O 3.5Å; F50-H169 VanDerWaalsContact N-O 3.1Å; F50-H169 PolarHBondContact O-N 3.07Å; W52-H169 HydrophobicContact CB-CB 4.29Å; W52-H169 HydrophobicContact CD2-CB 4.42Å; W52-H169 HydrophobicContact CE3-CB 3.58Å; W52-H169 AromaticContact CE3-CD2 3.73Å; W52-H169 AromaticContact CE3-CG 3.71Å; W52-H169 HydrophobicContact CZ3-CB 4.26Å; W52-H169 AromaticContact CZ3-CD2 3.54Å; W52-H169 AromaticContact CZ3-CG 3.87Å; H169-D184 IonicContact CD2-OD1 3.63Å; H169-D184 IonicContact CE1-OD1 3.45Å; H169-D184 IonicContact NE2-OD1 2.64Å; H169-D184 PolarHBondContact NE2-OD1 3.42Å
170F94.7Very high76.3Confident11 Ų1167.1 Ų67.15%0.04838%0.376CS..EExtended strand (participates in β ladder)trans-98.9136.2179.2-64.2-86.2000110.9F15 I47 F48 L49 C91 A92 A95 M231F15-F170 HydrophobicContact CE2-CD1 4.38Å; F15-F170 AromaticContact CE2-CE1 3.96Å; F15-F170 HydrophobicContact CE2-CE1 3.96Å; F15-F170 HydrophobicContact CE2-CZ 4.45Å; F15-F170 HydrophobicContact CZ-CD1 4.33Å; F15-F170 AromaticContact CZ-CE1 3.62Å; F15-F170 HydrophobicContact CZ-CE1 3.62Å; F15-F170 HydrophobicContact CZ-CE2 4.4Å; F15-F170 AromaticContact CZ-CZ 3.66Å; F15-F170 HydrophobicContact CZ-CZ 3.66Å; I47-F170 HydrophobicContact CG2-CB 4.35Å; I47-F170 HydrophobicContact CG2-CD1 3.65Å; I47-F170 HydrophobicContact CG2-CE1 4.46Å; I47-F170 HydrophobicContact CG2-CG 4.42Å; F48-F170 WeakPolarHBondContact O-CA 3.34Å; L49-F170 HydrophobicContact CB-CD1 3.87Å; L49-F170 HydrophobicContact CB-CE1 3.8Å; L49-F170 HydrophobicContact CD1-CD1 3.69Å; L49-F170 HydrophobicContact CD1-CD2 3.82Å; L49-F170 HydrophobicContact CD1-CE1 3.64Å; L49-F170 HydrophobicContact CD1-CE2 3.76Å; L49-F170 HydrophobicContact CD1-CG 3.79Å; L49-F170 HydrophobicContact CD1-CZ 3.67Å; L49-F170 HydrophobicContact CD2-CE1 3.85Å; L49-F170 HydrophobicContact CD2-CZ 3.88Å; L49-F170 HydrophobicContact CG-CD1 4.27Å; L49-F170 HydrophobicContact CG-CE1 3.97Å; L49-F170 HydrophobicContact CG-CZ 4.25Å; C91-F170 HydrophobicContact CB-CD2 4Å; A92-F170 HydrophobicContact CB-CD2 4.24Å; A92-F170 HydrophobicContact CB-CE2 3.98Å; A92-F170 HydrophobicContact CB-CZ 4.42Å; A95-F170 HydrophobicContact CB-CB 3.7Å; F170-M231 HydrophobicContact CE1-CE 4.03Å
171V95.8Very high79.3Confident0 Ų062.5 Ų62.50%034%0.343CS..EExtended strand (participates in β ladder)trans-134.5136.1176.2171.10000108.9F48 F50 E182 D184F48-V171 PolarHBondContact N-O 3.18Å; F48-V171 PolarHBondContact O-N 2.71Å; F50-V171 HydrophobicContact CE1-CB 4.36Å; F50-V171 HydrophobicContact CE1-CG2 3.72Å; F50-V171 HydrophobicContact CZ-CG2 4.3Å; V171-E182 HydrophobicContact CG1-CG 3.34Å; V171-D184 HydrophobicContact CB-CB 4.47Å; V171-D184 HydrophobicContact CG1-CB 4.03Å; V171-D184 HydrophobicContact CG2-CB 3.65Å
172S98.3Very high82.1Confident0 Ų059 Ų590%031%0.313CS..EExtended strand (participates in β ladder)trans-100.7139.5-177.2-62.90000111.9F46 A95 E182 L183F46-S172 CarbonylContact O-C 3.52Å; F46-S172 VanDerWaalsContact O-CA 3.29Å; F46-S172 WeakPolarHBondContact O-CA 3.22Å; A95-S172 VanDerWaalsContact C-OG 3.26Å; A95-S172 WeakPolarHBondContact CA-OG 3.29Å; A95-S172 WeakPolarHBondContact CB-OG 3.42Å; A95-S172 PolarHBondContact O-OG 2.9Å; S172-E182 WeakPolarHBondContact O-CA 3.33Å; S172-L183 PolarHBondContact N-O 2.98Å; S172-L183 PolarHBondContact O-N 3Å
173Y97.8Very high84.9Confident0 Ų052.3 Ų52.30%027%0.272CS..EExtended strand (participates in β ladder)trans-113.2125.1170.6-62.9-91000109.8G45 F46 F48 F181 E182 V209 I210 R213G45-Y173 CarbonylContact C-O 3.59Å; G45-Y173 VanDerWaalsContact CA-O 3.3Å; G45-Y173 WeakPolarHBondContact CA-O 3.42Å; F46-Y173 PolarHBondContact N-O 2.69Å; F46-Y173 PolarHBondContact O-N 3.27Å; F48-Y173 HydrophobicContact CB-CD2 4.26Å; F48-Y173 HydrophobicContact CB-CE2 3.74Å; F48-Y173 HydrophobicContact CD1-CE2 4.47Å; F48-Y173 HydrophobicContact CG-CE2 4.35Å; Y173-F181 VanDerWaalsContact CA-O 3.28Å; Y173-F181 WeakPolarHBondContact CA-O 3.35Å; Y173-E182 HydrophobicContact CD1-CB 3.91Å; Y173-E182 HydrophobicContact CD1-CG 4.22Å; Y173-E182 HydrophobicContact CE1-CB 3.74Å; Y173-E182 HydrophobicContact CE1-CG 3.73Å; Y173-V209 HydrophobicContact CE1-CG1 3.85Å; Y173-I210 HydrophobicContact CD2-CD1 3.8Å; Y173-I210 HydrophobicContact CD2-CG1 4.02Å; Y173-I210 HydrophobicContact CE1-CG1 4.43Å; Y173-I210 HydrophobicContact CE2-CD1 3.88Å; Y173-I210 HydrophobicContact CE2-CG1 3.6Å; Y173-I210 HydrophobicContact CG-CD1 4.37Å; Y173-R213 VanDerWaalsContact OH-CD 3.3Å; Y173-R213 WeakPolarHBondContact OH-CD 3.29Å; Y173-R213 PolarHBondContact OH-NH1 2.94Å
174V96.9Very high87.7Confident1 Ų141.9 Ų41.91%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-136.4143.2-172.4-69.40000112.7V99 I176 F181 L183V99-V174 HydrophobicContact CB-CG1 4.27Å; V99-V174 HydrophobicContact CG1-CG1 4.41Å; V99-V174 HydrophobicContact CG2-CG1 3.98Å; V174-I176 HydrophobicContact CG2-CD1 3.84Å; V174-I176 HydrophobicContact CG2-CG1 3.93Å; V174-F181 HydrophobicContact CG2-CB 4.1Å; V174-F181 PolarHBondContact N-O 3.33Å; V174-F181 PolarHBondContact O-N 2.93Å; V174-L183 HydrophobicContact CG2-CD1 3.65Å; V174-L183 HydrophobicContact CG2-CG 4.04Å
175P95.4Very high90.2Very high39 Ų3936.6 Ų36.625%0.25320%0.203SC..EExtended strand (participates in β ladder)trans-81.1117.8167.932.5-32.2000110.4R179 W196 W202P175-R179 WeakPolarHBondContact CA-O 3.34Å; P175-W196 HydrophobicContact CB-CH2 3.68Å; P175-W196 HydrophobicContact CB-CZ3 3.93Å; P175-W202 HydrophobicContact CB-CB 4.22Å; P175-W202 HydrophobicContact CB-CD2 3.9Å; P175-W202 HydrophobicContact CB-CE3 4.34Å; P175-W202 HydrophobicContact CB-CG 3.83Å; P175-W202 HydrophobicContact CG-CD2 3.82Å; P175-W202 HydrophobicContact CG-CE3 4.33Å; P175-W202 HydrophobicContact CG-CG 4.1Å; P175-W202 HydrophobicContact CG-CZ2 4.13Å
176I93.7Very high92Very high29 Ų2931.2 Ų31.215%0.14918%0.177CC..EExtended strand (participates in β ladder)trans-126.5128172.8-53176.9000107.8M80 N102 V174 G178 R179 F181M80-I176 HydrophobicContact CB-CD1 4.11Å; M80-I176 HydrophobicContact SD-CD1 4.44Å; N102-I176 HydrophobicContact CB-CD1 4.14Å; N102-I176 HydrophobicContact CB-CG1 4.33Å; V174-I176 HydrophobicContact CG2-CD1 3.84Å; V174-I176 HydrophobicContact CG2-CG1 3.93Å; I176-G178 PolarHBondContact O-N 2.92Å; I176-R179 PolarHBondContact N-O 2.94Å; I176-R179 PolarHBondContact O-N 3.35Å; I176-R179 VanDerWaalsContact O-O 3.07Å; I176-F181 HydrophobicContact CB-CD2 3.69Å; I176-F181 HydrophobicContact CB-CE2 3.86Å; I176-F181 HydrophobicContact CD1-CB 4.41Å; I176-F181 HydrophobicContact CD1-CD2 4.06Å; I176-F181 HydrophobicContact CD1-CG 4.31Å; I176-F181 HydrophobicContact CG1-CD2 4.06Å; I176-F181 HydrophobicContact CG2-CE2 4.48Å
177T90.3Very high93.3Very high133 Ų13329.7 Ų29.782%0.81617%0.169SC*.THydrogen-bonded Turntrans46.836175.452.20000115.8
178G90.8Very high94Very high36 Ų3631.8 Ų31.837%0.37118%0.177SC..THydrogen-bonded Turntrans83.510.518000000115I176 P195 W196I176-G178 PolarHBondContact O-N 2.92Å; G178-P195 WeakPolarHBondContact O-CA 3.43Å; G178-W196 VanDerWaalsContact C-CH2 3.49Å; G178-W196 VanDerWaalsContact C-CZ3 3.42Å
179R94.3Very high94.3Very high97 Ų9731.8 Ų31.837%0.36618%0.175SC..EExtended strand (participates in β ladder)trans-126.3150.6-179-51.8178.374.195.8-7.8110.8P175 I176 F181 D192P175-R179 WeakPolarHBondContact CA-O 3.34Å; I176-R179 PolarHBondContact N-O 2.94Å; I176-R179 PolarHBondContact O-N 3.35Å; I176-R179 VanDerWaalsContact O-O 3.07Å; R179-F181 HydrophobicContact CB-CD2 4.41Å; R179-F181 HydrophobicContact CB-CE2 3.86Å; R179-D192 IonicContact CZ-OD1 3.27Å; R179-D192 IonicContact CZ-OD2 3.51Å; R179-D192 IonicContact NE-OD1 2.69Å; R179-D192 PolarHBondContact NE-OD1 3.32Å; R179-D192 IonicContact NE-OD2 3.08Å; R179-D192 PolarHBondContact NE-OD2 3.49Å; R179-D192 IonicContact NH2-OD1 3.76Å; R179-D192 IonicContact NH2-OD2 2.72Å; R179-D192 PolarHBondContact NH2-OD2 2.68Å
180L96.5Very high94.5Very high0 Ų031.6 Ų31.60%017%0.174CC..EExtended strand (participates in β ladder)trans-94.3117.5179.6174.965.3000110.2H193 G194 W202 K205 A206 V209L180-H193 HydrophobicContact CB-CB 4.25Å; L180-H193 HydrophobicContact CD2-CB 4.09Å; L180-H193 HydrophobicContact CG-CB 4.19Å; L180-H193 WeakPolarHBondContact O-CB 3.45Å; L180-H193 PolarHBondContact O-N 3.02Å; L180-G194 PolarHBondContact N-O 3.44Å; L180-W202 HydrophobicContact CD1-CE3 4Å; L180-W202 HydrophobicContact CD1-CZ3 4.21Å; L180-K205 HydrophobicContact CB-CD 4.37Å; L180-K205 HydrophobicContact CD2-CB 4.44Å; L180-K205 HydrophobicContact CD2-CD 4.29Å; L180-K205 HydrophobicContact CD2-CG 3.9Å; L180-A206 HydrophobicContact CD1-CB 4.05Å; L180-A206 HydrophobicContact CD2-CB 4.11Å; L180-V209 HydrophobicContact CD2-CG2 4.03Å
181F96.6Very high94.5Very high7 Ų731.4 Ų31.43%0.03117%0.174CC..EExtended strand (participates in β ladder)trans-105.4142.1175.9-73.9-92.6000112.2V71 M80 Y173 V174 I176 R179 L183 I191 D192V71-F181 HydrophobicContact CG2-CE1 3.89Å; M80-F181 HydrophobicContact CE-CD1 4.02Å; M80-F181 HydrophobicContact CE-CE1 3.63Å; M80-F181 HydrophobicContact CE-CZ 4.05Å; M80-F181 HydrophobicContact SD-CD1 4.42Å; Y173-F181 VanDerWaalsContact CA-O 3.28Å; Y173-F181 WeakPolarHBondContact CA-O 3.35Å; V174-F181 HydrophobicContact CG2-CB 4.1Å; V174-F181 PolarHBondContact N-O 3.33Å; V174-F181 PolarHBondContact O-N 2.93Å; I176-F181 HydrophobicContact CB-CD2 3.69Å; I176-F181 HydrophobicContact CB-CE2 3.86Å; I176-F181 HydrophobicContact CD1-CB 4.41Å; I176-F181 HydrophobicContact CD1-CD2 4.06Å; I176-F181 HydrophobicContact CD1-CG 4.31Å; I176-F181 HydrophobicContact CG1-CD2 4.06Å; I176-F181 HydrophobicContact CG2-CE2 4.48Å; R179-F181 HydrophobicContact CB-CD2 4.41Å; R179-F181 HydrophobicContact CB-CE2 3.86Å; F181-L183 HydrophobicContact CB-CD2 4.24Å; F181-I191 CarbonylContact C-O 3.59Å; F181-I191 WeakPolarHBondContact CA-O 3.4Å; F181-D192 HydrophobicContact CD1-CB 4.08Å; F181-D192 HydrophobicContact CE1-CB 3.66Å; F181-D192 HydrophobicContact CZ-CB 4.17Å
182E97Very high94.4Very high6 Ų632.5 Ų32.53%0.02818%0.18CC..EExtended strand (participates in β ladder)trans-104.2118.2165.4178.7-168.6150.100109.3V171 S172 Y173 K187 I191 H193 R213V171-E182 HydrophobicContact CG1-CG 3.34Å; S172-E182 WeakPolarHBondContact O-CA 3.33Å; Y173-E182 HydrophobicContact CD1-CB 3.91Å; Y173-E182 HydrophobicContact CD1-CG 4.22Å; Y173-E182 HydrophobicContact CE1-CB 3.74Å; Y173-E182 HydrophobicContact CE1-CG 3.73Å; E182-K187 IonicContact OE1-NZ 3.57Å; E182-K187 PolarHBondContact OE1-NZ 3.44Å; E182-K187 IonicContact OE2-NZ 3.47Å; E182-I191 HydrophobicContact CB-CB 4.25Å; E182-I191 PolarHBondContact N-O 3.44Å; E182-I191 PolarHBondContact O-N 3.41Å; E182-H193 WeakPolarHBondContact CB-NE2 3.26Å; E182-H193 IonicContact OE2-CE1 2.79Å; E182-H193 IonicContact OE2-NE2 2.89Å; E182-H193 PolarHBondContact OE2-NE2 2.99Å; E182-H193 VanDerWaalsContact OE2-NE2 3.08Å; E182-R213 IonicContact OE1-CZ 2.84Å; E182-R213 IonicContact OE1-NH1 3.52Å; E182-R213 PolarHBondContact OE1-NH1 3.01Å; E182-R213 IonicContact OE1-NH2 3.45Å; E182-R213 PolarHBondContact OE1-NH2 3.05Å; E182-R213 IonicContact OE2-NH1 2.72Å; E182-R213 PolarHBondContact OE2-NH1 3.14Å
183L96.8Very high94.2Very high3 Ų335.1 Ų35.12%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-107.695.5-179.5-54.1-176.4000109M80 F82 N102 S172 V174 F181 P190M80-L183 HydrophobicContact SD-CD2 4.12Å; F82-L183 HydrophobicContact CB-CD2 4.25Å; F82-L183 HydrophobicContact CD2-CB 4.15Å; F82-L183 HydrophobicContact CD2-CD2 3.88Å; F82-L183 HydrophobicContact CG-CD2 4.35Å; N102-L183 WeakPolarHBondContact ND2-CD1 3.43Å; S172-L183 PolarHBondContact N-O 2.98Å; S172-L183 PolarHBondContact O-N 3Å; V174-L183 HydrophobicContact CG2-CD1 3.65Å; V174-L183 HydrophobicContact CG2-CG 4.04Å; F181-L183 HydrophobicContact CB-CD2 4.24Å; L183-P190 HydrophobicContact CD2-CB 3.56Å
184D95.1Very high94.1Very high1 Ų135.5 Ų35.51%0.00520%0.196CC..  trans-104.1107.3174.2179.3-13.2000108.5R57 F82 H169 V171 L186 K187R57-D184 IonicContact NH2-OD2 3.81Å; R57-D184 PolarHBondContact NH2-OD2 3.05Å; F82-D184 WeakPolarHBondContact CE2-O 3.36Å; H169-D184 IonicContact CD2-OD1 3.63Å; H169-D184 IonicContact CE1-OD1 3.45Å; H169-D184 IonicContact NE2-OD1 2.64Å; H169-D184 PolarHBondContact NE2-OD1 3.42Å; V171-D184 HydrophobicContact CB-CB 4.47Å; V171-D184 HydrophobicContact CG1-CB 4.03Å; V171-D184 HydrophobicContact CG2-CB 3.65Å; D184-L186 PolarHBondContact O-N 2.75Å; D184-L186 PolarHBondContact OD1-N 3.2Å; D184-K187 HydrophobicContact CB-CB 4.29Å; D184-K187 HydrophobicContact CB-CD 3.84Å; D184-K187 HydrophobicContact CB-CG 3.84Å; D184-K187 PolarHBondContact O-N 3Å; D184-K187 VanDerWaalsContact OD2-CE 3.24Å; D184-K187 WeakPolarHBondContact OD2-CE 3.4Å
185G93.4Very high93.9Very high12 Ų1239.1 Ų39.112%0.12422%0.22CC..THydrogen-bonded Turntrans-64-6.9-178.200000115A83 H84 Q85A83-G185 WeakPolarHBondContact O-CA 3.18Å; H84-G185 CarbonylContact C-O 3.53Å; H84-G185 WeakPolarHBondContact CA-O 3.24Å; Q85-G185 PolarHBondContact N-O 3.45Å
186L91.2Very high93.8Very high71 Ų7140.7 Ų40.737%0.37222%0.221SC..THydrogen-bonded Turntrans-109.819.7173.3-58.8176.7000112.3W52 Q85 D184W52-L186 HydrophobicContact CE3-CD1 4.31Å; W52-L186 HydrophobicContact CH2-CB 3.61Å; W52-L186 HydrophobicContact CH2-CD1 3.52Å; W52-L186 HydrophobicContact CH2-CG 4.21Å; W52-L186 HydrophobicContact CZ2-CD1 4.23Å; W52-L186 HydrophobicContact CZ3-CB 3.91Å; W52-L186 HydrophobicContact CZ3-CD1 3.56Å; W52-L186 HydrophobicContact CZ3-CG 4.37Å; Q85-L186 HydrophobicContact CB-CD2 4Å; Q85-L186 HydrophobicContact CB-CG 4.47Å; D184-L186 PolarHBondContact O-N 2.75Å; D184-L186 PolarHBondContact OD1-N 3.2Å
187K90.8Very high93.6Very high46 Ų4641 Ų4120%0.223%0.23CC..SBendtrans-107.5155.8160.6-68.2-178.2-162.3173.20110.1H84 E182 D184 I191H84-K187 PolarHBondContact CD2-O 3.42Å; H84-K187 VanDerWaalsContact CD2-O 3.29Å; H84-K187 PolarHBondContact NE2-O 3.14Å; E182-K187 IonicContact OE1-NZ 3.57Å; E182-K187 PolarHBondContact OE1-NZ 3.44Å; E182-K187 IonicContact OE2-NZ 3.47Å; D184-K187 HydrophobicContact CB-CB 4.29Å; D184-K187 HydrophobicContact CB-CD 3.84Å; D184-K187 HydrophobicContact CB-CG 3.84Å; D184-K187 PolarHBondContact O-N 3Å; D184-K187 VanDerWaalsContact OD2-CE 3.24Å; D184-K187 WeakPolarHBondContact OD2-CE 3.4Å; K187-I191 HydrophobicContact CD-CD1 4.14Å; K187-I191 HydrophobicContact CD-CG1 4.41Å
188V90.4Very high93.3Very high95 Ų9544.4 Ų44.458%0.57624%0.237SC*.SBendtrans-69.1-39.6176.8-1750000111.2H84H84-V188 PolarHBondContact NE2-O 3.3Å
189Y93.6Very high93.1Very high76 Ų7651.1 Ų51.130%0.29826%0.264SS..SBendtrans-124.9151.5-175.1-57.7-66.4000111.1V66 V71 I72V66-Y189 HydrophobicContact CG1-CD2 4.18Å; V66-Y189 HydrophobicContact CG2-CE2 4.23Å; V71-Y189 WeakPolarHBondContact O-CD1 3.14Å; I72-Y189 HydrophobicContact CB-CE1 4.46Å; I72-Y189 HydrophobicContact CG2-CE1 4.01Å
190P95.1Very high92.8Very high0 Ų048.6 Ų48.60%026%0.257CS..  trans-72.7151.9168.233-32.1000110V71 V77 M80 F82 L183V71-P190 HydrophobicContact CB-CG 4.36Å; V71-P190 PolarHBondContact N-O 3.47Å; V77-P190 HydrophobicContact CG2-CG 3.88Å; M80-P190 HydrophobicContact CE-CG 4.17Å; M80-P190 HydrophobicContact SD-CB 4.05Å; M80-P190 HydrophobicContact SD-CG 3.79Å; F82-P190 HydrophobicContact CD1-CB 4.23Å; F82-P190 HydrophobicContact CD1-CG 4.05Å; F82-P190 HydrophobicContact CD2-CB 4.16Å; F82-P190 HydrophobicContact CE1-CB 4.5Å; F82-P190 HydrophobicContact CE1-CG 4.45Å; F82-P190 HydrophobicContact CE2-CB 4.43Å; F82-P190 HydrophobicContact CG-CB 4.05Å; F82-P190 HydrophobicContact CG-CG 4.24Å; L183-P190 HydrophobicContact CD2-CB 3.56Å
191I94.3Very high92.6Very high7 Ų753 Ų534%0.03628%0.277CS..EExtended strand (participates in β ladder)trans-104.9127.1178.4-66.5-169.2000110.1T69 F181 E182 K187T69-I191 WeakPolarHBondContact OG1-CG2 3.27Å; F181-I191 CarbonylContact C-O 3.59Å; F181-I191 WeakPolarHBondContact CA-O 3.4Å; E182-I191 HydrophobicContact CB-CB 4.25Å; E182-I191 PolarHBondContact N-O 3.44Å; E182-I191 PolarHBondContact O-N 3.41Å; K187-I191 HydrophobicContact CD-CD1 4.14Å; K187-I191 HydrophobicContact CD-CG1 4.41Å
192D95.3Very high92.4Very high24 Ų2454 Ų5413%0.12828%0.281CS..EExtended strand (participates in β ladder)trans-94.7108.8173.2179.215.7000109.8T69 V71 R179 F181 G194T69-D192 WeakPolarHBondContact CB-O 3.16Å; T69-D192 PolarHBondContact O-N 2.89Å; V71-D192 HydrophobicContact CG2-CB 3.72Å; R179-D192 IonicContact CZ-OD1 3.27Å; R179-D192 IonicContact CZ-OD2 3.51Å; R179-D192 IonicContact NE-OD1 2.69Å; R179-D192 PolarHBondContact NE-OD1 3.32Å; R179-D192 IonicContact NE-OD2 3.08Å; R179-D192 PolarHBondContact NE-OD2 3.49Å; R179-D192 IonicContact NH2-OD1 3.76Å; R179-D192 IonicContact NH2-OD2 2.72Å; R179-D192 PolarHBondContact NH2-OD2 2.68Å; F181-D192 HydrophobicContact CD1-CB 4.08Å; F181-D192 HydrophobicContact CE1-CB 3.66Å; F181-D192 HydrophobicContact CZ-CB 4.17Å; D192-G194 PolarHBondContact O-N 3.17Å; D192-G194 VanDerWaalsContact OD1-CA 3.23Å; D192-G194 WeakPolarHBondContact OD1-CA 3.41Å; D192-G194 PolarHBondContact OD1-N 3.35Å
193H93.9Very high92.3Very high54 Ų5453.9 Ų53.925%0.2528%0.28CS..EExtended strand (participates in β ladder)trans-78.2-4.2173.9-69.3-85.8000112L180 E182 K205 V209L180-H193 HydrophobicContact CB-CB 4.25Å; L180-H193 HydrophobicContact CD2-CB 4.09Å; L180-H193 HydrophobicContact CG-CB 4.19Å; L180-H193 WeakPolarHBondContact O-CB 3.45Å; L180-H193 PolarHBondContact O-N 3.02Å; E182-H193 WeakPolarHBondContact CB-NE2 3.26Å; E182-H193 IonicContact OE2-CE1 2.79Å; E182-H193 IonicContact OE2-NE2 2.89Å; E182-H193 PolarHBondContact OE2-NE2 2.99Å; E182-H193 VanDerWaalsContact OE2-NE2 3.08Å; H193-K205 WeakPolarHBondContact O-CE 3.28Å; H193-K205 PolarHBondContact O-NZ 3.12Å; H193-V209 HydrophobicContact CB-CG2 4.26Å; H193-V209 VanDerWaalsContact CE1-CG1 3.41Å; H193-V209 WeakPolarHBondContact CE1-CG1 3.41Å
194G93.8Very high92Very high9 Ų954.8 Ų54.89%0.09329%0.285CS..EExtended strand (participates in β ladder)trans89.6-175.5176.500000114.6L180 D192 K205L180-G194 PolarHBondContact N-O 3.44Å; D192-G194 PolarHBondContact O-N 3.17Å; D192-G194 VanDerWaalsContact OD1-CA 3.23Å; D192-G194 WeakPolarHBondContact OD1-CA 3.41Å; D192-G194 PolarHBondContact OD1-N 3.35Å; G194-K205 PolarHBondContact O-NZ 3.09Å
195P94.5Very high91.9Very high77 Ų7755.8 Ų55.850%0.529%0.29SS..EExtended strand (participates in β ladder)trans-71.7154.5177.431.9-35.7000113.1G178 K205G178-P195 WeakPolarHBondContact O-CA 3.43Å; P195-K205 PolarHBondContact O-NZ 3.18Å
196W93.4Very high92Very high72 Ų7255.2 Ų55.227%0.27328%0.284SS..PPolyproline II helixtrans-90.9170.1168.354.886.4000110.9P175 G178 W202 K205P175-W196 HydrophobicContact CB-CH2 3.68Å; P175-W196 HydrophobicContact CB-CZ3 3.93Å; G178-W196 VanDerWaalsContact C-CH2 3.49Å; G178-W196 VanDerWaalsContact C-CZ3 3.42Å; W196-W202 HydrophobicContact CD2-CB 3.55Å; W196-W202 HydrophobicContact CE3-CB 3.42Å; W196-W202 VanDerWaalsContact CE3-CB 3.42Å; W196-W202 HydrophobicContact CG-CB 4.32Å; W196-W202 HydrophobicContact CH2-CB 3.64Å; W196-W202 HydrophobicContact CH2-CG 4.46Å; W196-W202 HydrophobicContact CZ2-CB 3.78Å; W196-W202 HydrophobicContact CZ3-CB 3.45Å; W196-W202 VanDerWaalsContact CZ3-CB 3.45Å; W196-W202 HydrophobicContact CZ3-CG 4.48Å; W196-K205 HydrophobicContact CB-CB 4Å; W196-K205 HydrophobicContact CB-CD 3.89Å
197G88.8Confident91.9Very high34 Ų3452.8 Ų52.835%0.35127%0.27SS..PPolyproline II helixtrans-69.1155.9179.100000113.2D199 E200G197-D199 VanDerWaalsContact C-N 3.3Å; G197-D199 PolarHBondContact O-N 3.25Å; G197-E200 PolarHBondContact N-OE2 2.9Å; G197-E200 VanDerWaalsContact N-OE2 3.15Å; G197-E200 WeakPolarHBondContact O-CB 3.39Å; G197-E200 PolarHBondContact O-N 2.83Å
198E84Confident91.9Very high205 Ų20556.9 Ų56.996%0.95828%0.284SS*.THydrogen-bonded Turntrans-63.2-35.9-179.1-61.7-175.3164.400112.5E200E198-E200 VanDerWaalsContact C-N 3.34Å
199D86.6Confident91.9Very high177 Ų17753.4 Ų53.495%0.94726%0.263SS*.THydrogen-bonded Turntrans-87.78.2172.5-59.7-59.9000113.8G197G197-D199 VanDerWaalsContact C-N 3.3Å; G197-D199 PolarHBondContact O-N 3.25Å
200E88.4Confident91.8Very high45 Ų4549.8 Ų49.821%0.2125%0.248CC..SBendtrans-109.8142.9-174.1-161.2-171-169.800111.9G197 E198 D204 K205 R208G197-E200 PolarHBondContact N-OE2 2.9Å; G197-E200 VanDerWaalsContact N-OE2 3.15Å; G197-E200 WeakPolarHBondContact O-CB 3.39Å; G197-E200 PolarHBondContact O-N 2.83Å; E198-E200 VanDerWaalsContact C-N 3.34Å; E200-D204 HydrophobicContact CG-CB 3.86Å; E200-K205 PolarHBondContact OE1-N 3.44Å; E200-R208 IonicContact OE1-CZ 3.87Å; E200-R208 VanDerWaalsContact OE1-CZ 3.23Å; E200-R208 IonicContact OE1-NE 3.81Å; E200-R208 PolarHBondContact OE1-NE 3.04Å; E200-R208 IonicContact OE1-NH2 2.74Å; E200-R208 PolarHBondContact OE1-NH2 3.44Å; E200-R208 IonicContact OE2-CZ 3.72Å; E200-R208 IonicContact OE2-NH2 3Å; E200-R208 PolarHBondContact OE2-NH2 3.32Å
201E90.8Very high91.4Very high92 Ų9254 Ų5443%0.4327%0.269SS..  trans-78.7144.1163.6-74.8-177.6-148.700111.1T203 D204 K205E201-T203 WeakPolarHBondContact CB-OG1 3.45Å; E201-T203 PolarHBondContact O-N 3.37Å; E201-T203 PolarHBondContact OE2-OG1 3.25Å; E201-D204 PolarHBondContact O-N 2.93Å; E201-K205 PolarHBondContact O-N 2.84Å
202W93.8Very high91Very high29 Ų2959.9 Ų59.911%0.1130%0.297CS..Hα-helixtrans-52.2-29.9169.583.5-97.1000112.6V43 F46 P175 L180 W196 K205 A206V43-W202 HydrophobicContact CB-CH2 4.5Å; V43-W202 HydrophobicContact CB-CZ2 3.77Å; V43-W202 HydrophobicContact CG1-CH2 4.06Å; V43-W202 HydrophobicContact CG1-CZ2 3.78Å; V43-W202 WeakPolarHBondContact O-CZ2 3.49Å; F46-W202 AromaticContact CD2-CH2 3.45Å; F46-W202 HydrophobicContact CD2-CH2 3.45Å; F46-W202 VanDerWaalsContact CD2-CH2 3.45Å; F46-W202 AromaticContact CD2-CZ3 3.56Å; F46-W202 HydrophobicContact CD2-CZ3 3.56Å; F46-W202 AromaticContact CE2-CH2 3.49Å; F46-W202 HydrophobicContact CE2-CH2 3.49Å; F46-W202 VanDerWaalsContact CE2-CH2 3.49Å; F46-W202 HydrophobicContact CE2-CZ2 4.29Å; F46-W202 AromaticContact CE2-CZ3 3.67Å; F46-W202 HydrophobicContact CE2-CZ3 3.67Å; F46-W202 HydrophobicContact CG-CH2 4.44Å; P175-W202 HydrophobicContact CB-CB 4.22Å; P175-W202 HydrophobicContact CB-CD2 3.9Å; P175-W202 HydrophobicContact CB-CE3 4.34Å; P175-W202 HydrophobicContact CB-CG 3.83Å; P175-W202 HydrophobicContact CG-CD2 3.82Å; P175-W202 HydrophobicContact CG-CE3 4.33Å; P175-W202 HydrophobicContact CG-CG 4.1Å; P175-W202 HydrophobicContact CG-CZ2 4.13Å; L180-W202 HydrophobicContact CD1-CE3 4Å; L180-W202 HydrophobicContact CD1-CZ3 4.21Å; W196-W202 HydrophobicContact CD2-CB 3.55Å; W196-W202 HydrophobicContact CE3-CB 3.42Å; W196-W202 VanDerWaalsContact CE3-CB 3.42Å; W196-W202 HydrophobicContact CG-CB 4.32Å; W196-W202 HydrophobicContact CH2-CB 3.64Å; W196-W202 HydrophobicContact CH2-CG 4.46Å; W196-W202 HydrophobicContact CZ2-CB 3.78Å; W196-W202 HydrophobicContact CZ3-CB 3.45Å; W196-W202 VanDerWaalsContact CZ3-CB 3.45Å; W196-W202 HydrophobicContact CZ3-CG 4.48Å; W202-K205 PolarHBondContact O-N 2.93Å; W202-A206 HydrophobicContact CE3-CB 3.98Å; W202-A206 HydrophobicContact CZ3-CB 3.8Å; W202-A206 WeakPolarHBondContact O-CB 3.42Å; W202-A206 PolarHBondContact O-N 3.49Å
203T93.8Very high90.4Very high2 Ų261.4 Ų61.41%0.01230%0.301CS..Hα-helixtrans-65.4-35.8178.368.70000112.4V43 F46 E201 R207V43-T203 HydrophobicContact CB-CG2 4.17Å; V43-T203 HydrophobicContact CG2-CG2 4.19Å; F46-T203 HydrophobicContact CE2-CG2 4.49Å; E201-T203 WeakPolarHBondContact CB-OG1 3.45Å; E201-T203 PolarHBondContact O-N 3.37Å; E201-T203 PolarHBondContact OE2-OG1 3.25Å; T203-R207 VanDerWaalsContact C-NH1 3.26Å; T203-R207 WeakPolarHBondContact O-CG 3.15Å; T203-R207 PolarHBondContact O-N 3.47Å; T203-R207 VanDerWaalsContact O-N 3.08Å; T203-R207 PolarHBondContact O-NH1 3.4Å
204D91.6Very high89.7Confident23 Ų2360.2 Ų60.212%0.12330%0.296CS..Hα-helixtrans-69.9-44.3177.3-66.6-36.4000109.9K38 E200 E201 A206 R207 R208K38-D204 WeakPolarHBondContact CE-OD1 3.39Å; K38-D204 WeakPolarHBondContact CE-OD2 3.3Å; K38-D204 IonicContact NZ-OD1 3.88Å; K38-D204 PolarHBondContact NZ-OD1 3.2Å; K38-D204 IonicContact NZ-OD2 3.54Å; K38-D204 PolarHBondContact NZ-OD2 2.65Å; E200-D204 HydrophobicContact CG-CB 3.86Å; E201-D204 PolarHBondContact O-N 2.93Å; D204-A206 PolarHBondContact O-N 3.25Å; D204-R207 VanDerWaalsContact CA-NH1 3.33Å; D204-R207 PolarHBondContact O-N 3.5Å; D204-R207 IonicContact OD1-CZ 3.14Å; D204-R207 VanDerWaalsContact OD1-CZ 3.23Å; D204-R207 IonicContact OD1-NH1 2.94Å; D204-R207 PolarHBondContact OD1-NH1 3.19Å; D204-R207 IonicContact OD1-NH2 3.63Å; D204-R207 PolarHBondContact OD1-NH2 3.3Å; D204-R208 WeakPolarHBondContact O-CG 3.23Å; D204-R208 PolarHBondContact O-N 2.94Å
205K93.1Very high88.6Confident21 Ų2161.9 Ų61.99%0.09131%0.313CS..Hα-helixtrans-60.4-43.7173.4-173.3174.1-178177.80112.6L180 H193 G194 P195 W196 E200 E201 W202 R207 R208 V209L180-K205 HydrophobicContact CB-CD 4.37Å; L180-K205 HydrophobicContact CD2-CB 4.44Å; L180-K205 HydrophobicContact CD2-CD 4.29Å; L180-K205 HydrophobicContact CD2-CG 3.9Å; H193-K205 WeakPolarHBondContact O-CE 3.28Å; H193-K205 PolarHBondContact O-NZ 3.12Å; G194-K205 PolarHBondContact O-NZ 3.09Å; P195-K205 PolarHBondContact O-NZ 3.18Å; W196-K205 HydrophobicContact CB-CB 4Å; W196-K205 HydrophobicContact CB-CD 3.89Å; E200-K205 PolarHBondContact OE1-N 3.44Å; E201-K205 PolarHBondContact O-N 2.84Å; W202-K205 PolarHBondContact O-N 2.93Å; K205-R207 VanDerWaalsContact C-N 3.35Å; K205-R207 PolarHBondContact O-N 3.01Å; K205-R208 WeakPolarHBondContact O-CB 3.49Å; K205-R208 PolarHBondContact O-N 3.49Å; K205-V209 PolarHBondContact O-N 3.15Å; K205-V209 VanDerWaalsContact O-N 3.07Å
206A94.1Very high87Confident0 Ų064.1 Ų64.10%032%0.32CS..Hα-helixtrans-60.7-42.9177.800000112F46 L180 W202 D204 R208 V209 I210F46-A206 HydrophobicContact CD2-CB 3.83Å; F46-A206 HydrophobicContact CE2-CB 3.82Å; L180-A206 HydrophobicContact CD1-CB 4.05Å; L180-A206 HydrophobicContact CD2-CB 4.11Å; W202-A206 HydrophobicContact CE3-CB 3.98Å; W202-A206 HydrophobicContact CZ3-CB 3.8Å; W202-A206 WeakPolarHBondContact O-CB 3.42Å; W202-A206 PolarHBondContact O-N 3.49Å; D204-A206 PolarHBondContact O-N 3.25Å; A206-R208 PolarHBondContact O-N 2.8Å; A206-V209 PolarHBondContact O-N 3.08Å; A206-I210 WeakPolarHBondContact O-CB 3.42Å; A206-I210 WeakPolarHBondContact O-CD1 3.46Å; A206-I210 VanDerWaalsContact O-CG1 3.27Å; A206-I210 WeakPolarHBondContact O-CG1 3.14Å; A206-I210 PolarHBondContact O-N 2.87Å
207R90.4Very high85.1Confident20 Ų2062.9 Ų62.98%0.07533%0.325CS..Hα-helixtrans-64.7-37.9175.4-66.2-171.1-32-78.65112L35 S37 T203 D204 K205 I210 M211L35-R207 HydrophobicContact CD2-CG 4.48Å; L35-R207 VanDerWaalsContact O-CD 3.24Å; L35-R207 WeakPolarHBondContact O-CD 3.24Å; L35-R207 PolarHBondContact O-NE 3.48Å; S37-R207 PolarHBondContact O-NE 3.48Å; T203-R207 VanDerWaalsContact C-NH1 3.26Å; T203-R207 WeakPolarHBondContact O-CG 3.15Å; T203-R207 PolarHBondContact O-N 3.47Å; T203-R207 VanDerWaalsContact O-N 3.08Å; T203-R207 PolarHBondContact O-NH1 3.4Å; D204-R207 VanDerWaalsContact CA-NH1 3.33Å; D204-R207 PolarHBondContact O-N 3.5Å; D204-R207 IonicContact OD1-CZ 3.14Å; D204-R207 VanDerWaalsContact OD1-CZ 3.23Å; D204-R207 IonicContact OD1-NH1 2.94Å; D204-R207 PolarHBondContact OD1-NH1 3.19Å; D204-R207 IonicContact OD1-NH2 3.63Å; D204-R207 PolarHBondContact OD1-NH2 3.3Å; K205-R207 VanDerWaalsContact C-N 3.35Å; K205-R207 PolarHBondContact O-N 3.01Å; R207-I210 PolarHBondContact O-N 3.22Å; R207-M211 WeakPolarHBondContact O-CB 3.48Å; R207-M211 WeakPolarHBondContact O-CG 3.2Å; R207-M211 PolarHBondContact O-N 2.75Å
208R89.9Confident83.5Confident133 Ų13362.4 Ų62.450%0.50232%0.315SS..Hα-helixtrans-57.8-50.2173.2-68.2-174.8-66.7122.2-11.1112E200 D204 K205 A206 I210 M211 E212E200-R208 IonicContact OE1-CZ 3.87Å; E200-R208 VanDerWaalsContact OE1-CZ 3.23Å; E200-R208 IonicContact OE1-NE 3.81Å; E200-R208 PolarHBondContact OE1-NE 3.04Å; E200-R208 IonicContact OE1-NH2 2.74Å; E200-R208 PolarHBondContact OE1-NH2 3.44Å; E200-R208 IonicContact OE2-CZ 3.72Å; E200-R208 IonicContact OE2-NH2 3Å; E200-R208 PolarHBondContact OE2-NH2 3.32Å; D204-R208 WeakPolarHBondContact O-CG 3.23Å; D204-R208 PolarHBondContact O-N 2.94Å; K205-R208 WeakPolarHBondContact O-CB 3.49Å; K205-R208 PolarHBondContact O-N 3.49Å; A206-R208 PolarHBondContact O-N 2.8Å; R208-I210 PolarHBondContact O-N 3.19Å; R208-M211 PolarHBondContact O-N 3.05Å; R208-E212 PolarHBondContact O-N 2.71Å
209V91.6Very high82Confident21 Ų2156.5 Ų56.513%0.12730%0.302CS..Hα-helixtrans-61.3-43.8177.7170.90000112.2Y173 L180 H193 K205 A206 E212 R213Y173-V209 HydrophobicContact CE1-CG1 3.85Å; L180-V209 HydrophobicContact CD2-CG2 4.03Å; H193-V209 HydrophobicContact CB-CG2 4.26Å; H193-V209 VanDerWaalsContact CE1-CG1 3.41Å; H193-V209 WeakPolarHBondContact CE1-CG1 3.41Å; K205-V209 PolarHBondContact O-N 3.15Å; K205-V209 VanDerWaalsContact O-N 3.07Å; A206-V209 PolarHBondContact O-N 3.08Å; V209-E212 PolarHBondContact O-N 2.89Å; V209-R213 WeakPolarHBondContact O-CB 3.47Å; V209-R213 PolarHBondContact O-N 2.79Å
210I90.4Very high80.4Confident0 Ų051.3 Ų51.30%029%0.29CS..Hα-helixtrans-68.2-41-180-67.4163.7000111.1L35 F48 Y173 A206 R207 R208 R213 I214 L230L35-I210 HydrophobicContact CD2-CG2 4.14Å; F48-I210 HydrophobicContact CD2-CG2 3.96Å; F48-I210 HydrophobicContact CE2-CG2 3.94Å; Y173-I210 HydrophobicContact CD2-CD1 3.8Å; Y173-I210 HydrophobicContact CD2-CG1 4.02Å; Y173-I210 HydrophobicContact CE1-CG1 4.43Å; Y173-I210 HydrophobicContact CE2-CD1 3.88Å; Y173-I210 HydrophobicContact CE2-CG1 3.6Å; Y173-I210 HydrophobicContact CG-CD1 4.37Å; A206-I210 WeakPolarHBondContact O-CB 3.42Å; A206-I210 WeakPolarHBondContact O-CD1 3.46Å; A206-I210 VanDerWaalsContact O-CG1 3.27Å; A206-I210 WeakPolarHBondContact O-CG1 3.14Å; A206-I210 PolarHBondContact O-N 2.87Å; R207-I210 PolarHBondContact O-N 3.22Å; R208-I210 PolarHBondContact O-N 3.19Å; I210-R213 WeakPolarHBondContact O-CB 3.18Å; I210-R213 PolarHBondContact O-N 3.49Å; I210-I214 HydrophobicContact CG2-CD1 3.85Å; I210-I214 VanDerWaalsContact O-CG1 3.31Å; I210-I214 WeakPolarHBondContact O-CG1 3.47Å; I210-I214 PolarHBondContact O-N 3.43Å; I210-L230 HydrophobicContact CD1-CD1 3.87Å; I210-L230 HydrophobicContact CD1-CD2 4.32Å
211M86.6Confident78.7Confident90 Ų9055.4 Ų55.444%0.44331%0.309SS..Hα-helixtrans-62.5-42.8175.5-75.1173.766.600112.1L35 R207 R208 I214 G215L35-M211 HydrophobicContact CB-CG 4.09Å; L35-M211 HydrophobicContact CB-SD 4.16Å; L35-M211 HydrophobicContact CD1-CG 3.93Å; L35-M211 HydrophobicContact CG-CG 4.41Å; R207-M211 WeakPolarHBondContact O-CB 3.48Å; R207-M211 WeakPolarHBondContact O-CG 3.2Å; R207-M211 PolarHBondContact O-N 2.75Å; R208-M211 PolarHBondContact O-N 3.05Å; M211-I214 PolarHBondContact O-N 3Å; M211-G215 PolarHBondContact O-N 3.16Å
212E85.1Confident76.6Confident130 Ų13054.8 Ų54.861%0.60731%0.313SS*.Hα-helixtrans-60.6-46.5174.2-178173.6-174.700111.3R208 V209 I214 G215 L216R208-E212 PolarHBondContact O-N 2.71Å; V209-E212 PolarHBondContact O-N 2.89Å; E212-I214 VanDerWaalsContact C-N 3.32Å; E212-I214 PolarHBondContact O-N 3.14Å; E212-G215 PolarHBondContact O-N 3.45Å; E212-L216 HydrophobicContact CG-CD1 3.95Å; E212-L216 HydrophobicContact CG-CG 4.41Å; E212-L216 WeakPolarHBondContact O-CG 3.4Å; E212-L216 PolarHBondContact O-N 3.47Å
213R83.2Confident74.7Confident56 Ų5663.9 Ų63.921%0.21135%0.349CS..Hα-helixtrans-58.1-40.3176.1-171.2-175.4-172.3116.4-10.1112.7F50 Y173 E182 V209 I210 A217F50-R213 VanDerWaalsContact CE1-NH2 3.34Å; Y173-R213 VanDerWaalsContact OH-CD 3.3Å; Y173-R213 WeakPolarHBondContact OH-CD 3.29Å; Y173-R213 PolarHBondContact OH-NH1 2.94Å; E182-R213 IonicContact OE1-CZ 2.84Å; E182-R213 IonicContact OE1-NH1 3.52Å; E182-R213 PolarHBondContact OE1-NH1 3.01Å; E182-R213 IonicContact OE1-NH2 3.45Å; E182-R213 PolarHBondContact OE1-NH2 3.05Å; E182-R213 IonicContact OE2-NH1 2.72Å; E182-R213 PolarHBondContact OE2-NH1 3.14Å; V209-R213 WeakPolarHBondContact O-CB 3.47Å; V209-R213 PolarHBondContact O-N 2.79Å; I210-R213 WeakPolarHBondContact O-CB 3.18Å; I210-R213 PolarHBondContact O-N 3.49Å; R213-A217 WeakPolarHBondContact O-CB 3.44Å; R213-A217 PolarHBondContact O-N 2.99Å
214I80.7Confident72.8Confident29 Ų2970.9 Ų70.915%0.14938%0.381CS..Hα-helixtrans-68.1-42.8176.5-68.2163.1000110.8L35 F48 I210 M211 E212 A217 T218 F228L35-I214 HydrophobicContact CD1-CD1 3.71Å; F48-I214 HydrophobicContact CE2-CD1 4.05Å; F48-I214 HydrophobicContact CE2-CG1 4.17Å; F48-I214 HydrophobicContact CZ-CD1 4.27Å; F48-I214 HydrophobicContact CZ-CG1 3.88Å; I210-I214 HydrophobicContact CG2-CD1 3.85Å; I210-I214 VanDerWaalsContact O-CG1 3.31Å; I210-I214 WeakPolarHBondContact O-CG1 3.47Å; I210-I214 PolarHBondContact O-N 3.43Å; M211-I214 PolarHBondContact O-N 3Å; E212-I214 VanDerWaalsContact C-N 3.32Å; E212-I214 PolarHBondContact O-N 3.14Å; I214-A217 PolarHBondContact O-N 2.86Å; I214-T218 PolarHBondContact O-N 3.37Å; I214-T218 VanDerWaalsContact O-N 3.13Å; I214-T218 PolarHBondContact O-OG1 2.97Å; I214-F228 HydrophobicContact CD1-CD2 4.07Å; I214-F228 HydrophobicContact CD1-CE1 4.41Å; I214-F228 HydrophobicContact CD1-CE2 3.83Å; I214-F228 HydrophobicContact CD1-CG 4.46Å; I214-F228 HydrophobicContact CD1-CZ 4.01Å; I214-F228 HydrophobicContact CG2-CE1 4.02Å; I214-F228 HydrophobicContact CG2-CZ 4.37Å
215G70.1Confident71.4Confident43 Ų4372 Ų7244%0.44339%0.387SS..Hα-helixtrans-59.1-49.2174.600000112.5M211 E212 A217 T218M211-G215 PolarHBondContact O-N 3.16Å; E212-G215 PolarHBondContact O-N 3.45Å; G215-A217 PolarHBondContact O-N 3.31Å; G215-T218 PolarHBondContact O-N 3.31Å; G215-T218 VanDerWaalsContact O-N 3.16Å
216L60.8Low70.2Confident124 Ų12478 Ų7865%0.64942%0.418SS*.Hα-helixtrans-63.8-38.1176-67172.3000112.2E212 T218 A219E212-L216 HydrophobicContact CG-CD1 3.95Å; E212-L216 HydrophobicContact CG-CG 4.41Å; E212-L216 WeakPolarHBondContact O-CG 3.4Å; E212-L216 PolarHBondContact O-N 3.47Å; L216-T218 PolarHBondContact O-N 3.3Å; L216-A219 PolarHBondContact O-N 3.3Å; L216-A219 VanDerWaalsContact O-N 3.15Å
217A52.8Low69.6Low46 Ų4682.4 Ų82.438%0.3844%0.435SS..Hα-helixtrans-64.2-23.9175.700000113.1R56 R213 I214 G215 A219R56-A217 PolarHBondContact NH1-O 2.85Å; R56-A217 PolarHBondContact NH2-O 3.42Å; R213-A217 WeakPolarHBondContact O-CB 3.44Å; R213-A217 PolarHBondContact O-N 2.99Å; I214-A217 PolarHBondContact O-N 2.86Å; G215-A217 PolarHBondContact O-N 3.31Å; A217-A219 VanDerWaalsContact C-N 3.33Å
218T54.8Low69.5Low24 Ų2485.4 Ų85.415%0.14745%0.449CS..THydrogen-bonded Turntrans-92.910.1177.8-32.10000112.9I214 G215 L216 G220 E221 H224I214-T218 PolarHBondContact O-N 3.37Å; I214-T218 VanDerWaalsContact O-N 3.13Å; I214-T218 PolarHBondContact O-OG1 2.97Å; G215-T218 PolarHBondContact O-N 3.31Å; G215-T218 VanDerWaalsContact O-N 3.16Å; L216-T218 PolarHBondContact O-N 3.3Å; T218-G220 PolarHBondContact O-N 3.11Å; T218-G220 VanDerWaalsContact O-N 3.13Å; T218-E221 VanDerWaalsContact CB-O 3.27Å; T218-E221 WeakPolarHBondContact CB-O 3.49Å; T218-E221 WeakPolarHBondContact CG2-O 3.36Å; T218-E221 PolarHBondContact O-N 2.94Å; T218-E221 VanDerWaalsContact O-N 3.11Å; T218-H224 HydrophobicContact CG2-CB 4.46Å
219A53.8Low69.6Low82 Ų8280 Ų8068%0.67843%0.43SS*.THydrogen-bonded Turntrans57.624.6171.800000115.9L216 A217L216-A219 PolarHBondContact O-N 3.3Å; L216-A219 VanDerWaalsContact O-N 3.15Å; A217-A219 VanDerWaalsContact C-N 3.33Å
220G52Low69.8Low68 Ų6879.2 Ų79.270%0.70143%0.425SS*.THydrogen-bonded Turntrans93.3-12.6-178.400000114.8T218 P222T218-G220 PolarHBondContact O-N 3.11Å; T218-G220 VanDerWaalsContact O-N 3.13Å; G220-P222 WeakPolarHBondContact O-CD 3.37Å
221E52.6Low70.1Confident131 Ų13179.2 Ų79.261%0.61243%0.425SS*.  trans-81121.1170.9-75-61.4155.100110.3T218T218-E221 VanDerWaalsContact CB-O 3.27Å; T218-E221 WeakPolarHBondContact CB-O 3.49Å; T218-E221 WeakPolarHBondContact CG2-O 3.36Å; T218-E221 PolarHBondContact O-N 2.94Å; T218-E221 VanDerWaalsContact O-N 3.11Å
222P47.3Very low70.6Confident79 Ų7975 Ų7551%0.51340%0.404SS..THydrogen-bonded Turntrans-69.9138.7179.4-21.335.3000112.7G220 H224G220-P222 WeakPolarHBondContact O-CD 3.37Å; P222-H224 PolarHBondContact O-CE1 2.85Å; P222-H224 PolarHBondContact O-N 3.47Å; P222-H224 PolarHBondContact O-ND1 3.21Å
223Y53.3Low71.2Confident219 Ų21968.8 Ų68.886%0.85938%0.376SS*.THydrogen-bonded Turntrans69.223.3159.4-47.4-69.5000120.3
224H53.7Low71.8Confident150 Ų15066.9 Ų66.969%0.69437%0.37SS*.  trans-107.4-22.7-174.2-74.291.9000118.5T218 P222T218-H224 HydrophobicContact CG2-CB 4.46Å; P222-H224 PolarHBondContact O-CE1 2.85Å; P222-H224 PolarHBondContact O-N 3.47Å; P222-H224 PolarHBondContact O-ND1 3.21Å
225D62.7Low72.5Confident47 Ų4767.5 Ų67.525%0.25138%0.376SS..  trans-105.7100.7175.6-156.1-21.3000111.9R227D225-R227 VanDerWaalsContact C-N 3.31Å; D225-R227 VanDerWaalsContact OD1-CB 3.28Å; D225-R227 WeakPolarHBondContact OD1-CB 3.46Å; D225-R227 WeakPolarHBondContact OD1-CG 3.44Å; D225-R227 IonicContact OD1-CZ 3.49Å; D225-R227 PolarHBondContact OD1-N 3.17Å; D225-R227 VanDerWaalsContact OD1-N 3.13Å; D225-R227 IonicContact OD1-NE 3.29Å; D225-R227 PolarHBondContact OD1-NE 2.98Å; D225-R227 IonicContact OD1-NH2 3.52Å; D225-R227 PolarHBondContact OD1-NH2 3.32Å; D225-R227 IonicContact OD2-CZ 2.96Å; D225-R227 IonicContact OD2-NE 2.68Å; D225-R227 PolarHBondContact OD2-NE 3.03Å; D225-R227 IonicContact OD2-NH2 2.7Å; D225-R227 PolarHBondContact OD2-NH2 2.9Å
226I67.2Low73.7Confident145 Ų14565.7 Ų65.774%0.74436%0.356SS*.  trans-86.55.8179.662.7172.4000113.5F228I226-F228 PolarHBondContact O-N 2.92Å
227R82.6Confident75.2Confident94 Ų9462.4 Ų62.436%0.35534%0.335SS..  trans-84.957.8-175.7-62.9174.8-66.1-159.8-10.6112.6K51 E166 F168 D225K51-R227 HydrophobicContact CB-CB 4.48Å; K51-R227 PolarHBondContact N-O 2.89Å; E166-R227 VanDerWaalsContact CD-NH1 3.26Å; E166-R227 IonicContact OE1-NH1 3.34Å; E166-R227 PolarHBondContact OE1-NH1 2.99Å; E166-R227 WeakPolarHBondContact OE2-CD 3.23Å; E166-R227 IonicContact OE2-CZ 3.71Å; E166-R227 IonicContact OE2-NE 3.27Å; E166-R227 IonicContact OE2-NH1 3.17Å; E166-R227 PolarHBondContact OE2-NH1 3.38Å; F168-R227 HydrophobicContact CE1-CB 3.96Å; F168-R227 HydrophobicContact CZ-CB 4.16Å; D225-R227 VanDerWaalsContact C-N 3.31Å; D225-R227 VanDerWaalsContact OD1-CB 3.28Å; D225-R227 WeakPolarHBondContact OD1-CB 3.46Å; D225-R227 WeakPolarHBondContact OD1-CG 3.44Å; D225-R227 IonicContact OD1-CZ 3.49Å; D225-R227 PolarHBondContact OD1-N 3.17Å; D225-R227 VanDerWaalsContact OD1-N 3.13Å; D225-R227 IonicContact OD1-NE 3.29Å; D225-R227 PolarHBondContact OD1-NE 2.98Å; D225-R227 IonicContact OD1-NH2 3.52Å; D225-R227 PolarHBondContact OD1-NH2 3.32Å; D225-R227 IonicContact OD2-CZ 2.96Å; D225-R227 IonicContact OD2-NE 2.68Å; D225-R227 PolarHBondContact OD2-NE 3.03Å; D225-R227 IonicContact OD2-NH2 2.7Å; D225-R227 PolarHBondContact OD2-NH2 2.9Å
228F88.4Confident77.3Confident83 Ų8363 Ų6336%0.36433%0.327SS..EExtended strand (participates in β ladder)trans-135.7157168.763.1-93.4000110F48 L49 I214 I226F48-F228 HydrophobicContact CE2-CB 3.87Å; F48-F228 HydrophobicContact CE2-CD2 4.02Å; F48-F228 HydrophobicContact CE2-CG 4.2Å; F48-F228 HydrophobicContact CZ-CB 4Å; L49-F228 CarbonylContact O-C 3.53Å; L49-F228 WeakPolarHBondContact O-CA 3.28Å; L49-F228 VanDerWaalsContact O-CB 3.26Å; L49-F228 WeakPolarHBondContact O-CB 3.22Å; I214-F228 HydrophobicContact CD1-CD2 4.07Å; I214-F228 HydrophobicContact CD1-CE1 4.41Å; I214-F228 HydrophobicContact CD1-CE2 3.83Å; I214-F228 HydrophobicContact CD1-CG 4.46Å; I214-F228 HydrophobicContact CD1-CZ 4.01Å; I214-F228 HydrophobicContact CG2-CE1 4.02Å; I214-F228 HydrophobicContact CG2-CZ 4.37Å; I226-F228 PolarHBondContact O-N 2.92Å
229N92.4Very high79.1Confident19 Ų1966 Ų6610%0.10234%0.342CS..EExtended strand (participates in β ladder)trans-131.8141.2170.5-166-42.8000107.7S10 E31 F48 L49S10-N229 PolarHBondContact OG-ND2 3.08Å; E31-N229 PolarHBondContact OE1-ND2 2.79Å; E31-N229 PolarHBondContact OE1-OD1 3.44Å; F48-N229 WeakPolarHBondContact CD2-O 3.45Å; L49-N229 HydrophobicContact CB-CB 3.91Å; L49-N229 HydrophobicContact CD2-CB 4.24Å; L49-N229 PolarHBondContact N-O 3.05Å; L49-N229 PolarHBondContact O-N 3.41Å
230L94.6Very high80.9Confident5 Ų566.4 Ų66.43%0.02633%0.328CS..EExtended strand (participates in β ladder)trans-122120.5170.1179.163.3000108.6I32 L35 F46 F48 I210I32-L230 HydrophobicContact CB-CB 4.27Å; I32-L230 HydrophobicContact CB-CD2 4.01Å; I32-L230 HydrophobicContact CB-CG 4.02Å; I32-L230 HydrophobicContact CG1-CD2 4.43Å; I32-L230 HydrophobicContact CG1-CG 4.26Å; I32-L230 HydrophobicContact CG2-CD2 3.99Å; I32-L230 PolarHBondContact N-O 2.9Å; L35-L230 HydrophobicContact CD2-CD2 3.43Å; L35-L230 VanDerWaalsContact CD2-CD2 3.43Å; F46-L230 HydrophobicContact CB-CD1 3.86Å; F46-L230 HydrophobicContact CD1-CD1 4.05Å; F46-L230 HydrophobicContact CD1-CD2 4.41Å; F46-L230 HydrophobicContact CD1-CG 4.3Å; F46-L230 HydrophobicContact CG-CD1 4.23Å; F48-L230 HydrophobicContact CB-CD1 4.2Å; F48-L230 HydrophobicContact CD2-CB 4.42Å; F48-L230 HydrophobicContact CD2-CD1 4.26Å; I210-L230 HydrophobicContact CD1-CD1 3.87Å; I210-L230 HydrophobicContact CD1-CD2 4.32Å
231M96.8Very high82.9Confident0 Ų064.5 Ų64.50%030%0.3CS..EExtended strand (participates in β ladder)trans-113.3146.6172.7-74174.7-78.800110.7S10 P12 F15 V29 E30 E31 F46 I47 F170S10-M231 WeakPolarHBondContact OG-CE 3.46Å; P12-M231 HydrophobicContact CB-SD 4.22Å; F15-M231 HydrophobicContact CD2-CE 3.83Å; F15-M231 HydrophobicContact CD2-SD 3.93Å; F15-M231 HydrophobicContact CE2-CE 3.53Å; F15-M231 HydrophobicContact CE2-SD 4.25Å; F15-M231 HydrophobicContact CG-SD 4.35Å; F15-M231 HydrophobicContact CZ-CE 4.05Å; V29-M231 HydrophobicContact CG1-CB 3.73Å; V29-M231 HydrophobicContact CG1-CG 4.07Å; V29-M231 HydrophobicContact CG1-SD 3.85Å; E30-M231 CarbonylContact O-C 3.55Å; E30-M231 WeakPolarHBondContact O-CA 3.49Å; E31-M231 HydrophobicContact CB-CG 4.49Å; F46-M231 CarbonylContact C-O 3.45Å; F46-M231 VanDerWaalsContact CA-O 3.31Å; F46-M231 WeakPolarHBondContact CA-O 3.41Å; I47-M231 HydrophobicContact CB-CB 4.47Å; I47-M231 PolarHBondContact N-O 3.25Å; I47-M231 PolarHBondContact O-N 3.39Å; F170-M231 HydrophobicContact CE1-CE 4.03Å
232A96.9Very high85Confident1 Ų162.8 Ų62.81%0.00829%0.292CS..EExtended strand (participates in β ladder)trans-109.2132.5171.300000109.7V29 E30 I32 V43 F46 V234V29-A232 WeakPolarHBondContact CA-O 3.44Å; E30-A232 PolarHBondContact N-O 2.84Å; E30-A232 PolarHBondContact O-N 2.92Å; I32-A232 HydrophobicContact CD1-CB 3.88Å; I32-A232 HydrophobicContact CG1-CB 4Å; V43-A232 HydrophobicContact CG1-CB 4.06Å; F46-A232 HydrophobicContact CD1-CB 3.87Å; F46-A232 HydrophobicContact CE1-CB 3.81Å; A232-V234 HydrophobicContact CB-CG1 3.94Å
233V97.6Very high87.2Confident0 Ų061.8 Ų61.80%029%0.29CS..EExtended strand (participates in β ladder)trans-89120.5169.6-173.50000107.2V27 V29 Y44 G45 I47 V99 L100V27-V233 HydrophobicContact CG1-CG1 3.47Å; V27-V233 VanDerWaalsContact CG1-CG1 3.47Å; V29-V233 HydrophobicContact CG2-CG2 4.42Å; Y44-V233 WeakPolarHBondContact CB-O 3.49Å; Y44-V233 HydrophobicContact CD2-CG1 4.3Å; Y44-V233 PolarHBondContact N-O 2.67Å; G45-V233 PolarHBondContact O-N 2.83Å; I47-V233 HydrophobicContact CD1-CG2 3.92Å; I47-V233 HydrophobicContact CG1-CG2 4.31Å; V99-V233 HydrophobicContact CB-CG2 4.26Å; V99-V233 HydrophobicContact CG1-CB 3.92Å; V99-V233 HydrophobicContact CG1-CG1 4.19Å; V99-V233 HydrophobicContact CG1-CG2 3.95Å; V99-V233 HydrophobicContact CG2-CG2 4.26Å; L100-V233 HydrophobicContact CD2-CG1 4.4Å
234V96.1Very high89.1Confident15 Ų1555 Ų559%0.09126%0.263CS..EExtended strand (participates in β ladder)trans-140163.8-168.2-62.80000111.4V27 Q28 E30 V43 A232V27-V234 CarbonylContact C-O 3.6Å; V27-V234 WeakPolarHBondContact CA-O 3.48Å; Q28-V234 HydrophobicContact CG-CG2 3.75Å; Q28-V234 PolarHBondContact N-O 3.26Å; Q28-V234 PolarHBondContact O-N 3.27Å; Q28-V234 VanDerWaalsContact O-O 3.08Å; E30-V234 HydrophobicContact CG-CG2 3.97Å; E30-V234 WeakPolarHBondContact OE1-CG2 2.83Å; V43-V234 HydrophobicContact CB-CG1 4.48Å; V43-V234 HydrophobicContact CG1-CG1 4.35Å; V43-V234 HydrophobicContact CG2-CG1 4.11Å; A232-V234 HydrophobicContact CB-CG1 3.94Å
235P95.6Very high91.1Very high42 Ų4248.3 Ų48.327%0.27323%0.233SC..EExtended strand (participates in β ladder)trans-63.3150.8172.5-20.431.1000112.7G26 P42 Y44 R237G26-P235 CarbonylContact O-C 3.52Å; G26-P235 VanDerWaalsContact O-CA 3.28Å; G26-P235 WeakPolarHBondContact O-CA 3.48Å; P42-P235 HydrophobicContact CG-CG 4.02Å; P42-P235 WeakPolarHBondContact O-CD 3.28Å; Y44-P235 HydrophobicContact CE2-CB 4.34Å; Y44-P235 HydrophobicContact CE2-CG 3.76Å; P235-R237 PolarHBondContact O-N 3.15Å
236D95.4Very high92.7Very high5 Ų552.1 Ų52.13%0.02725%0.249CC..  trans-63.6119.6176.8-163.9-54.2000111.3G26 R238 I239 K240 R657G26-D236 PolarHBondContact O-N 2.87Å; D236-R238 VanDerWaalsContact C-N 3.26Å; D236-R238 PolarHBondContact O-N 3.05Å; D236-R238 VanDerWaalsContact OD1-CB 3.22Å; D236-R238 WeakPolarHBondContact OD1-CB 3.08Å; D236-R238 WeakPolarHBondContact OD1-CG 3.48Å; D236-R238 IonicContact OD1-CZ 2.69Å; D236-R238 PolarHBondContact OD1-N 2.77Å; D236-R238 IonicContact OD1-NE 3.57Å; D236-R238 PolarHBondContact OD1-NE 3.39Å; D236-R238 IonicContact OD1-NH2 2.62Å; D236-R238 IonicContact OD2-CZ 2.79Å; D236-R238 IonicContact OD2-NE 3.23Å; D236-R238 PolarHBondContact OD2-NE 2.81Å; D236-R238 IonicContact OD2-NH2 2.66Å; D236-R238 PolarHBondContact OD2-NH2 2.97Å; D236-I239 HydrophobicContact CB-CD1 4.08Å; D236-I239 HydrophobicContact CB-CG1 4.17Å; D236-I239 PolarHBondContact O-N 3.44Å; D236-K240 PolarHBondContact O-N 2.85Å; D236-R657 IonicContact OD1-NH2 2.69Å; D236-R657 IonicContact OD2-CZ 2.73Å; D236-R657 VanDerWaalsContact OD2-CZ 3.32Å; D236-R657 IonicContact OD2-NH1 3.41Å; D236-R657 PolarHBondContact OD2-NH1 2.83Å; D236-R657 IonicContact OD2-NH2 2.63Å; D236-R657 PolarHBondContact OD2-NH2 3.08Å
237R93.4Very high94.1Very high55 Ų5546.5 Ų46.521%0.20822%0.221CC..Hα-helixtrans-68-24.9-176.5-73.8-179.9-179.2-170.7-3.3113.2E30 P235 K240 Y241 E653E30-R237 WeakPolarHBondContact OE1-CD 3.36Å; E30-R237 IonicContact OE1-CZ 2.66Å; E30-R237 IonicContact OE1-NE 3.4Å; E30-R237 PolarHBondContact OE1-NE 2.85Å; E30-R237 IonicContact OE1-NH2 3.39Å; E30-R237 PolarHBondContact OE1-NH2 3.48Å; E30-R237 IonicContact OE2-CZ 3.69Å; E30-R237 IonicContact OE2-NE 2.94Å; E30-R237 IonicContact OE2-NH1 3.98Å; E30-R237 IonicContact OE2-NH2 2.69Å; E30-R237 PolarHBondContact OE2-NH2 3.47Å; P235-R237 PolarHBondContact O-N 3.15Å; R237-K240 WeakPolarHBondContact O-CB 3.47Å; R237-K240 PolarHBondContact O-N 2.79Å; R237-Y241 HydrophobicContact CB-CD2 4.43Å; R237-Y241 HydrophobicContact CB-CE2 4.02Å; R237-Y241 WeakPolarHBondContact O-CD2 3.31Å; R237-Y241 VanDerWaalsContact O-CG 3.31Å; R237-Y241 PolarHBondContact O-N 3.12Å; R237-E653 HydrophobicContact CB-CG 3.91Å; R237-E653 VanDerWaalsContact CD-OE1 3.23Å; R237-E653 WeakPolarHBondContact CD-OE1 3.42Å; R237-E653 IonicContact NH1-OE1 2.71Å; R237-E653 PolarHBondContact NH1-OE1 2.93Å
238R95.2Very high94.7Very high59 Ų5942 Ų4222%0.22320%0.204CC..Hα-helixtrans-63.1-49.4178.5-56.9172-66.7164-2.8109.8E20 D236 K240 Y241 E242 L650 E653 V654 R657E20-R238 IonicContact OE1-NH2 3.59Å; E20-R238 PolarHBondContact OE1-NH2 3.48Å; D236-R238 VanDerWaalsContact C-N 3.26Å; D236-R238 PolarHBondContact O-N 3.05Å; D236-R238 VanDerWaalsContact OD1-CB 3.22Å; D236-R238 WeakPolarHBondContact OD1-CB 3.08Å; D236-R238 WeakPolarHBondContact OD1-CG 3.48Å; D236-R238 IonicContact OD1-CZ 2.69Å; D236-R238 PolarHBondContact OD1-N 2.77Å; D236-R238 IonicContact OD1-NE 3.57Å; D236-R238 PolarHBondContact OD1-NE 3.39Å; D236-R238 IonicContact OD1-NH2 2.62Å; D236-R238 IonicContact OD2-CZ 2.79Å; D236-R238 IonicContact OD2-NE 3.23Å; D236-R238 PolarHBondContact OD2-NE 2.81Å; D236-R238 IonicContact OD2-NH2 2.66Å; D236-R238 PolarHBondContact OD2-NH2 2.97Å; R238-K240 VanDerWaalsContact C-N 3.3Å; R238-K240 PolarHBondContact O-N 3.29Å; R238-Y241 PolarHBondContact O-N 3.45Å; R238-Y241 VanDerWaalsContact O-N 3.08Å; R238-E242 WeakPolarHBondContact O-CB 3.47Å; R238-E242 VanDerWaalsContact O-CG 3.27Å; R238-E242 WeakPolarHBondContact O-CG 3.24Å; R238-E242 PolarHBondContact O-N 2.82Å; R238-L650 HydrophobicContact CB-CD1 3.83Å; R238-L650 HydrophobicContact CG-CD1 4.29Å; R238-E653 HydrophobicContact CG-CB 3.96Å; R238-V654 HydrophobicContact CG-CG2 4.21Å; R238-R657 VanDerWaalsContact NH2-CZ 3.33Å
239I93.5Very high95Very high88 Ų8842.8 Ų42.845%0.45121%0.207SC..Hα-helixtrans-59.2-41.8176.7-54.3179.6000110.8D236 Y241 A243D236-I239 HydrophobicContact CB-CD1 4.08Å; D236-I239 HydrophobicContact CB-CG1 4.17Å; D236-I239 PolarHBondContact O-N 3.44Å; I239-Y241 PolarHBondContact O-N 2.95Å; I239-A243 WeakPolarHBondContact O-CB 3.43Å; I239-A243 PolarHBondContact O-N 3.06Å
240K91.7Very high95.2Very high90 Ų9044.4 Ų44.439%0.39122%0.218SC..Hα-helixtrans-58.7-46.9174.6-178.5-176.1179-177.50111.5Q40 D236 R237 R238 R244Q40-K240 PolarHBondContact O-NZ 3.2Å; D236-K240 PolarHBondContact O-N 2.85Å; R237-K240 WeakPolarHBondContact O-CB 3.47Å; R237-K240 PolarHBondContact O-N 2.79Å; R238-K240 VanDerWaalsContact C-N 3.3Å; R238-K240 PolarHBondContact O-N 3.29Å; K240-R244 WeakPolarHBondContact O-CG 3.5Å; K240-R244 PolarHBondContact O-N 3.07Å
241Y94.8Very high95.2Very high28 Ų2844.2 Ų44.211%0.1122%0.216CC..Hα-helixtrans-74-37.3-179.5-60-37.9000112.8R237 R238 I239 R244 L245 Y646 C649 L650 E653R237-Y241 HydrophobicContact CB-CD2 4.43Å; R237-Y241 HydrophobicContact CB-CE2 4.02Å; R237-Y241 WeakPolarHBondContact O-CD2 3.31Å; R237-Y241 VanDerWaalsContact O-CG 3.31Å; R237-Y241 PolarHBondContact O-N 3.12Å; R238-Y241 PolarHBondContact O-N 3.45Å; R238-Y241 VanDerWaalsContact O-N 3.08Å; I239-Y241 PolarHBondContact O-N 2.95Å; Y241-R244 PolarHBondContact O-N 2.96Å; Y241-L245 WeakPolarHBondContact O-CB 3.34Å; Y241-L245 VanDerWaalsContact O-CG 3.28Å; Y241-L245 WeakPolarHBondContact O-CG 3.02Å; Y241-L245 PolarHBondContact O-N 3.27Å; Y241-Y646 AromaticContact CD1-CD1 3.53Å; Y241-Y646 HydrophobicContact CD1-CD1 3.53Å; Y241-Y646 AromaticContact CD1-CE1 3.78Å; Y241-Y646 HydrophobicContact CD1-CE1 3.78Å; Y241-Y646 HydrophobicContact CE1-CD1 4.07Å; Y241-Y646 HydrophobicContact CE1-CE1 4.05Å; Y241-Y646 HydrophobicContact CG-CD1 4.31Å; Y241-C649 HydrophobicContact CD2-CB 3.96Å; Y241-C649 HydrophobicContact CE1-CB 4.27Å; Y241-C649 HydrophobicContact CE2-CB 3.63Å; Y241-C649 HydrophobicContact CG-CB 4.41Å; Y241-L650 HydrophobicContact CD2-CB 4.5Å; Y241-E653 HydrophobicContact CD2-CG 4.46Å; Y241-E653 HydrophobicContact CE2-CG 3.88Å
242E95.7Very high95.1Very high95 Ų9547.8 Ų47.844%0.44423%0.23SC..Hα-helixtrans-59.3-47.2173.7-73.5162.6-175.500111.7R238 R244 L245 H246 L650R238-E242 WeakPolarHBondContact O-CB 3.47Å; R238-E242 VanDerWaalsContact O-CG 3.27Å; R238-E242 WeakPolarHBondContact O-CG 3.24Å; R238-E242 PolarHBondContact O-N 2.82Å; E242-R244 PolarHBondContact O-N 3.49Å; E242-L245 PolarHBondContact O-N 3.06Å; E242-H246 PolarHBondContact O-N 2.93Å; E242-L650 HydrophobicContact CG-CD1 3.87Å; E242-L650 HydrophobicContact CG-CD2 3.66Å; E242-L650 HydrophobicContact CG-CG 4.45Å
243A93.9Very high95Very high58 Ų5851.9 Ų51.948%0.47925%0.249SC..Hα-helixtrans-62.6-40.6175.900000112.3I239 H246 V247I239-A243 WeakPolarHBondContact O-CB 3.43Å; I239-A243 PolarHBondContact O-N 3.06Å; A243-H246 PolarHBondContact O-N 3.44Å; A243-V247 PolarHBondContact O-N 3.34Å; A243-V247 VanDerWaalsContact O-N 3.13Å
244R93.2Very high94.8Very high77 Ų7752.5 Ų52.529%0.29125%0.253SS..Hα-helixtrans-65.8-40.9176.2-69.1-71.1177.3141.4-1.3112.2K240 Y241 E242 V247 L248 S558 Y646K240-R244 WeakPolarHBondContact O-CG 3.5Å; K240-R244 PolarHBondContact O-N 3.07Å; Y241-R244 PolarHBondContact O-N 2.96Å; E242-R244 PolarHBondContact O-N 3.49Å; R244-V247 PolarHBondContact O-N 2.89Å; R244-L248 WeakPolarHBondContact O-CB 3.41Å; R244-L248 WeakPolarHBondContact O-CG 3.35Å; R244-L248 PolarHBondContact O-N 3.31Å; R244-S558 WeakPolarHBondContact CD-O 3.39Å; R244-S558 PolarHBondContact NE-O 3.03Å; R244-S558 PolarHBondContact NH1-O 2.66Å; R244-Y646 HydrophobicContact CB-CD1 4.33Å; R244-Y646 HydrophobicContact CB-CE1 4.22Å; R244-Y646 HydrophobicContact CB-CE2 4.45Å; R244-Y646 HydrophobicContact CB-CG 4.47Å; R244-Y646 HydrophobicContact CG-CE1 4.33Å
245L96.1Very high94.6Very high9 Ų951.8 Ų51.85%0.04725%0.249CC..Hα-helixtrans-66-35.9174.7-75.1170.5000112.5Y241 E242 K249 I643 E647 L650Y241-L245 WeakPolarHBondContact O-CB 3.34Å; Y241-L245 VanDerWaalsContact O-CG 3.28Å; Y241-L245 WeakPolarHBondContact O-CG 3.02Å; Y241-L245 PolarHBondContact O-N 3.27Å; E242-L245 PolarHBondContact O-N 3.06Å; L245-K249 VanDerWaalsContact O-CB 3.24Å; L245-K249 WeakPolarHBondContact O-CB 3.07Å; L245-K249 WeakPolarHBondContact O-CG 3.37Å; L245-K249 PolarHBondContact O-N 3.29Å; L245-I643 HydrophobicContact CD2-CB 4.45Å; L245-I643 HydrophobicContact CD2-CG2 4.13Å; L245-I643 WeakPolarHBondContact CD2-O 3.24Å; L245-E647 HydrophobicContact CD1-CG 3.8Å; L245-E647 HydrophobicContact CD2-CG 3.6Å; L245-E647 HydrophobicContact CG-CG 4.36Å; L245-L650 HydrophobicContact CD1-CB 4.32Å; L245-L650 HydrophobicContact CD1-CD2 3.73Å
246H96.2Very high94.5Very high127 Ų12751.3 Ų51.359%0.58824%0.243SC*.Hα-helixtrans-62-51.9173.7-177.872.8000111.2E242 A243 L248 K249 V250E242-H246 PolarHBondContact O-N 2.93Å; A243-H246 PolarHBondContact O-N 3.44Å; H246-L248 PolarHBondContact O-N 2.72Å; H246-K249 PolarHBondContact O-N 3.49Å; H246-V250 WeakPolarHBondContact O-CG2 3.37Å; H246-V250 PolarHBondContact O-N 2.95Å
247V95.3Very high94.3Very high26 Ų2655 Ų5516%0.15826%0.26CS..Hα-helixtrans-56.5-49.1176.2170.30000111.4A243 R244 K249 V250 N251 G560 L561A243-V247 PolarHBondContact O-N 3.34Å; A243-V247 VanDerWaalsContact O-N 3.13Å; R244-V247 PolarHBondContact O-N 2.89Å; V247-K249 PolarHBondContact O-N 3.05Å; V247-V250 PolarHBondContact O-N 3.26Å; V247-N251 WeakPolarHBondContact O-CB 3.45Å; V247-N251 PolarHBondContact O-N 2.83Å; V247-G560 WeakPolarHBondContact CG1-O 3.3Å; V247-L561 HydrophobicContact CG1-CD2 4.29Å; V247-L561 HydrophobicContact CG2-CD2 4.37Å
248L95.3Very high94.1Very high0 Ų052.6 Ų52.60%025%0.252CS..Hα-helixtrans-62.6-38.7178.9-79.3163.8000113.1R244 H246 N251 R252 I557 V639 E642 I643 Y646R244-L248 WeakPolarHBondContact O-CB 3.41Å; R244-L248 WeakPolarHBondContact O-CG 3.35Å; R244-L248 PolarHBondContact O-N 3.31Å; H246-L248 PolarHBondContact O-N 2.72Å; L248-N251 PolarHBondContact O-N 3.32Å; L248-R252 WeakPolarHBondContact O-CB 3.45Å; L248-R252 PolarHBondContact O-N 2.93Å; L248-I557 HydrophobicContact CD2-CG2 4.23Å; L248-I557 WeakPolarHBondContact CD2-O 3.37Å; L248-V639 HydrophobicContact CD2-CG1 4.05Å; L248-V639 WeakPolarHBondContact O-CG1 3.4Å; L248-E642 HydrophobicContact CD1-CB 3.98Å; L248-E642 HydrophobicContact CD2-CB 3.98Å; L248-I643 HydrophobicContact CB-CD1 4.23Å; L248-I643 HydrophobicContact CB-CG1 3.64Å; L248-I643 HydrophobicContact CD1-CG1 4.39Å; L248-I643 HydrophobicContact CG-CG1 4.49Å; L248-Y646 HydrophobicContact CD1-CD2 3.44Å; L248-Y646 VanDerWaalsContact CD1-CD2 3.44Å; L248-Y646 HydrophobicContact CD1-CE2 3.86Å; L248-Y646 HydrophobicContact CD1-CG 4.46Å
249K95.9Very high93.8Very high99 Ų9950.7 Ų50.743%0.4325%0.247SC..Hα-helixtrans-71.1-35.1178.9-74.8171.8-178.9-177.70112.5L245 H246 V247 Q253 I643 E647L245-K249 VanDerWaalsContact O-CB 3.24Å; L245-K249 WeakPolarHBondContact O-CB 3.07Å; L245-K249 WeakPolarHBondContact O-CG 3.37Å; L245-K249 PolarHBondContact O-N 3.29Å; H246-K249 PolarHBondContact O-N 3.49Å; V247-K249 PolarHBondContact O-N 3.05Å; K249-Q253 PolarHBondContact O-N 3.34Å; K249-I643 HydrophobicContact CG-CD1 4Å; K249-I643 HydrophobicContact CG-CG1 4.45Å; K249-E647 WeakPolarHBondContact CE-OE1 3.19Å; K249-E647 IonicContact NZ-OE1 3.48Å; K249-E647 PolarHBondContact NZ-OE1 2.89Å
250V95.6Very high93.5Very high54 Ų5450 Ų5033%0.32724%0.242SC..Hα-helixtrans-65-50.6169.1176.30000110H246 V247 R252 Q253 T254 L561H246-V250 WeakPolarHBondContact O-CG2 3.37Å; H246-V250 PolarHBondContact O-N 2.95Å; V247-V250 PolarHBondContact O-N 3.26Å; V250-R252 VanDerWaalsContact C-N 3.29Å; V250-R252 PolarHBondContact O-N 2.63Å; V250-Q253 WeakPolarHBondContact O-CA 3.46Å; V250-Q253 WeakPolarHBondContact O-CB 3.26Å; V250-Q253 PolarHBondContact O-N 3.27Å; V250-T254 PolarHBondContact O-N 2.88Å; V250-T254 PolarHBondContact O-OG1 3.35Å; V250-L561 HydrophobicContact CB-CD2 3.98Å; V250-L561 HydrophobicContact CG1-CD2 3.85Å
251N94.7Very high93.2Very high0 Ų049.1 Ų49.10%024%0.239CC..Hα-helixtrans-60.2-36.3-179.9-70.8-11.3000112.9V247 L248 Q253 T254 V255 I557 G560 L561 L562V247-N251 WeakPolarHBondContact O-CB 3.45Å; V247-N251 PolarHBondContact O-N 2.83Å; L248-N251 PolarHBondContact O-N 3.32Å; N251-Q253 VanDerWaalsContact C-N 3.32Å; N251-Q253 PolarHBondContact O-N 3.36Å; N251-T254 PolarHBondContact O-N 3.43Å; N251-V255 WeakPolarHBondContact O-CG2 3.4Å; N251-V255 PolarHBondContact O-N 2.88Å; N251-I557 HydrophobicContact CB-CG1 4.01Å; N251-I557 PolarHBondContact ND2-O 3.29Å; N251-G560 PolarHBondContact ND2-O 2.72Å; N251-L561 WeakPolarHBondContact OD1-CA 3.38Å; N251-L562 HydrophobicContact CB-CD1 4.17Å; N251-L562 HydrophobicContact CB-CG 4.25Å; N251-L562 PolarHBondContact OD1-N 3.08Å
252R95.2Very high92.6Very high76 Ų7649.5 Ų49.529%0.28724%0.242SC..Hα-helixtrans-57.6-44.9171.6-173-180172.9-85.7-2.9111.5L248 V250 V255 L256 L636 V639 E640 I643L248-R252 WeakPolarHBondContact O-CB 3.45Å; L248-R252 PolarHBondContact O-N 2.93Å; V250-R252 VanDerWaalsContact C-N 3.29Å; V250-R252 PolarHBondContact O-N 2.63Å; R252-V255 PolarHBondContact O-N 3.48Å; R252-L256 HydrophobicContact CG-CD1 4.28Å; R252-L256 WeakPolarHBondContact O-CG 3.45Å; R252-L256 PolarHBondContact O-N 3.16Å; R252-L636 HydrophobicContact CG-CD1 3.73Å; R252-V639 HydrophobicContact CB-CG1 3.72Å; R252-V639 HydrophobicContact CG-CG1 4.34Å; R252-E640 IonicContact CZ-OE1 3.25Å; R252-E640 IonicContact NE-OE1 3.95Å; R252-E640 PolarHBondContact NE-OE1 3.47Å; R252-E640 IonicContact NH2-OE1 2.82Å; R252-E640 PolarHBondContact NH2-OE1 2.89Å; R252-I643 HydrophobicContact CB-CD1 4.17Å
253Q95.1Very high91.9Very high86 Ų8647.4 Ų47.440%0.40223%0.234SC..Hα-helixtrans-66-44.9177.9-177.459.925.700111.2K249 V250 N251 V255 L256 E257K249-Q253 PolarHBondContact O-N 3.34Å; V250-Q253 WeakPolarHBondContact O-CA 3.46Å; V250-Q253 WeakPolarHBondContact O-CB 3.26Å; V250-Q253 PolarHBondContact O-N 3.27Å; N251-Q253 VanDerWaalsContact C-N 3.32Å; N251-Q253 PolarHBondContact O-N 3.36Å; Q253-V255 VanDerWaalsContact C-N 3.31Å; Q253-V255 PolarHBondContact O-N 3.22Å; Q253-L256 WeakPolarHBondContact O-CB 3.23Å; Q253-L256 PolarHBondContact O-N 3.04Å; Q253-L256 VanDerWaalsContact O-N 3.15Å; Q253-E257 WeakPolarHBondContact CG-OE1 3.45Å; Q253-E257 PolarHBondContact NE2-OE1 3.17Å; Q253-E257 WeakPolarHBondContact O-CG 3.47Å; Q253-E257 PolarHBondContact O-N 3.07Å
254T93.2Very high91.3Very high14 Ų1451.3 Ų51.39%0.08624%0.236CC..Hα-helixtrans-59.5-39.4176.9-38.20000112.4V250 N251 E257 A258 L562 L564 L570V250-T254 PolarHBondContact O-N 2.88Å; V250-T254 PolarHBondContact O-OG1 3.35Å; N251-T254 PolarHBondContact O-N 3.43Å; T254-E257 PolarHBondContact O-N 3.36Å; T254-A258 PolarHBondContact O-N 2.95Å; T254-L562 HydrophobicContact CG2-CB 4.13Å; T254-L564 HydrophobicContact CG2-CB 3.78Å; T254-L570 HydrophobicContact CG2-CD2 3.72Å
255V91.6Very high90.3Very high0 Ų053.3 Ų53.30%026%0.257CS..Hα-helixtrans-70.4-37.4176.1173.60000112N251 R252 Q253 A258 L259 L562 L570 L632 L635 L636N251-V255 WeakPolarHBondContact O-CG2 3.4Å; N251-V255 PolarHBondContact O-N 2.88Å; R252-V255 PolarHBondContact O-N 3.48Å; Q253-V255 VanDerWaalsContact C-N 3.31Å; Q253-V255 PolarHBondContact O-N 3.22Å; V255-A258 PolarHBondContact O-N 3.41Å; V255-L259 HydrophobicContact CG1-CD1 4.32Å; V255-L259 WeakPolarHBondContact O-CB 3.38Å; V255-L259 WeakPolarHBondContact O-CG 3.47Å; V255-L259 PolarHBondContact O-N 3.42Å; V255-L562 HydrophobicContact CG2-CD1 3.74Å; V255-L570 HydrophobicContact CG2-CD1 4.26Å; V255-L632 HydrophobicContact CG1-CB 4.46Å; V255-L635 HydrophobicContact CG2-CD2 3.77Å; V255-L635 HydrophobicContact CG2-CG 4.36Å; V255-L636 HydrophobicContact CG1-CB 3.99Å; V255-L636 HydrophobicContact CG1-CD1 4.47Å
256L92.6Very high89Confident31 Ų3157.2 Ų57.216%0.16228%0.281CS..Hα-helixtrans-64.9-38.7173.4-76.1168.4000112.3R252 Q253 L259 Q260 I445 L636R252-L256 HydrophobicContact CG-CD1 4.28Å; R252-L256 WeakPolarHBondContact O-CG 3.45Å; R252-L256 PolarHBondContact O-N 3.16Å; Q253-L256 WeakPolarHBondContact O-CB 3.23Å; Q253-L256 PolarHBondContact O-N 3.04Å; Q253-L256 VanDerWaalsContact O-N 3.15Å; L256-L259 PolarHBondContact O-N 2.93Å; L256-Q260 WeakPolarHBondContact O-CB 3.15Å; L256-Q260 PolarHBondContact O-N 3.31Å; L256-I445 HydrophobicContact CD2-CD1 3.87Å; L256-L636 HydrophobicContact CD2-CD1 4.2Å; L256-L636 HydrophobicContact CD2-CD2 3.66Å; L256-L636 HydrophobicContact CG-CD1 4.02Å; L256-L636 HydrophobicContact CG-CD2 4.37Å
257E91.2Very high87.4Confident82 Ų8255.4 Ų55.438%0.38327%0.273SS..Hα-helixtrans-67.3-42.7175.9-74.5170.6-168.300111.8Q253 T254 L259 Q260 Q261 L564Q253-E257 WeakPolarHBondContact CG-OE1 3.45Å; Q253-E257 PolarHBondContact NE2-OE1 3.17Å; Q253-E257 WeakPolarHBondContact O-CG 3.47Å; Q253-E257 PolarHBondContact O-N 3.07Å; T254-E257 PolarHBondContact O-N 3.36Å; E257-L259 PolarHBondContact O-N 3.09Å; E257-Q260 PolarHBondContact O-N 2.95Å; E257-Q260 VanDerWaalsContact O-N 3.14Å; E257-Q261 WeakPolarHBondContact O-CG 3.21Å; E257-Q261 PolarHBondContact O-N 3.29Å; E257-L564 HydrophobicContact CB-CD2 3.83Å
258A89.9Confident85.5Confident5 Ų557.9 Ų57.94%0.04129%0.289CS..Hα-helixtrans-61.1-43.9174.100000112.1T254 V255 Q260 Q261 L262 L564 L570 L632T254-A258 PolarHBondContact O-N 2.95Å; V255-A258 PolarHBondContact O-N 3.41Å; A258-Q260 VanDerWaalsContact C-N 3.33Å; A258-Q260 PolarHBondContact O-N 2.97Å; A258-Q261 PolarHBondContact O-N 2.72Å; A258-L262 VanDerWaalsContact O-CB 3.31Å; A258-L262 WeakPolarHBondContact O-CB 3.28Å; A258-L262 PolarHBondContact O-N 3.46Å; A258-L564 HydrophobicContact CB-CD1 3.84Å; A258-L564 HydrophobicContact CB-CD2 4.02Å; A258-L570 HydrophobicContact CB-CD1 3.5Å; A258-L570 HydrophobicContact CB-CD2 4.15Å; A258-L570 HydrophobicContact CB-CG 3.76Å; A258-L632 HydrophobicContact CB-CD1 3.94Å
259L88.6Confident83.3Confident20 Ų2065.3 Ų65.311%0.10532%0.324CS..Hα-helixtrans-58-44.4171.4-82.5165.2000111.6V255 L256 E257 L262 I263 P629 L632 L636V255-L259 HydrophobicContact CG1-CD1 4.32Å; V255-L259 WeakPolarHBondContact O-CB 3.38Å; V255-L259 WeakPolarHBondContact O-CG 3.47Å; V255-L259 PolarHBondContact O-N 3.42Å; L256-L259 PolarHBondContact O-N 2.93Å; E257-L259 PolarHBondContact O-N 3.09Å; L259-L262 PolarHBondContact O-N 3.35Å; L259-I263 WeakPolarHBondContact O-CD1 3.45Å; L259-I263 VanDerWaalsContact O-CG1 3.28Å; L259-I263 WeakPolarHBondContact O-CG1 3.32Å; L259-I263 PolarHBondContact O-N 2.85Å; L259-P629 HydrophobicContact CD2-CB 4.47Å; L259-L632 HydrophobicContact CD1-CB 4.27Å; L259-L632 HydrophobicContact CD2-CB 3.62Å; L259-L632 HydrophobicContact CD2-CD1 4.43Å; L259-L632 HydrophobicContact CG-CB 3.7Å; L259-L632 HydrophobicContact CG-CD1 4.32Å; L259-L636 HydrophobicContact CD1-CD2 4.06Å
260Q87.6Confident81.3Confident73 Ų7365.7 Ų65.734%0.34133%0.33SS..Hα-helixtrans-68.3-41.4-179-159.1-17148.900112.3L256 E257 A258 I263 R264L256-Q260 WeakPolarHBondContact O-CB 3.15Å; L256-Q260 PolarHBondContact O-N 3.31Å; E257-Q260 PolarHBondContact O-N 2.95Å; E257-Q260 VanDerWaalsContact O-N 3.14Å; A258-Q260 VanDerWaalsContact C-N 3.33Å; A258-Q260 PolarHBondContact O-N 2.97Å; Q260-I263 PolarHBondContact O-N 3.23Å; Q260-R264 VanDerWaalsContact O-CG 3.27Å; Q260-R264 WeakPolarHBondContact O-CG 3.43Å; Q260-R264 PolarHBondContact O-N 3.25Å
261Q85.8Confident79.2Confident71 Ų7168 Ų6833%0.33234%0.34SS..Hα-helixtrans-59.1-47.7172.8-72.4-178.74.200110.9E257 A258 I263 R264 V265E257-Q261 WeakPolarHBondContact O-CG 3.21Å; E257-Q261 PolarHBondContact O-N 3.29Å; A258-Q261 PolarHBondContact O-N 2.72Å; Q261-I263 VanDerWaalsContact C-N 3.33Å; Q261-I263 PolarHBondContact O-N 2.86Å; Q261-R264 PolarHBondContact O-N 3.22Å; Q261-V265 WeakPolarHBondContact O-CG2 3.24Å; Q261-V265 PolarHBondContact O-N 2.82Å
262L82.5Confident76.9Confident36 Ų3674.5 Ų74.519%0.18837%0.37CS..Hα-helixtrans-63.2-37.8-178.9-170.456.9000112.1A258 L259 T266 Y627 P629 L632A258-L262 VanDerWaalsContact O-CB 3.31Å; A258-L262 WeakPolarHBondContact O-CB 3.28Å; A258-L262 PolarHBondContact O-N 3.46Å; L259-L262 PolarHBondContact O-N 3.35Å; L262-T266 VanDerWaalsContact O-CB 3.28Å; L262-T266 WeakPolarHBondContact O-CB 3.24Å; L262-T266 PolarHBondContact O-N 3.03Å; L262-T266 PolarHBondContact O-OG1 3Å; L262-Y627 WeakPolarHBondContact CD2-O 3.42Å; L262-P629 HydrophobicContact CD2-CB 4.44Å; L262-P629 HydrophobicContact CD2-CG 3.7Å; L262-P629 HydrophobicContact CG-CG 4.16Å; L262-L632 HydrophobicContact CD2-CD1 4.33Å
263I80.9Confident74.4Confident52 Ų5274.7 Ų74.727%0.26738%0.38SS..Hα-helixtrans-65.8-46.2172.6-68.4163.9000111.2L259 Q260 Q261 V265 T266 Q267 L448L259-I263 WeakPolarHBondContact O-CD1 3.45Å; L259-I263 VanDerWaalsContact O-CG1 3.28Å; L259-I263 WeakPolarHBondContact O-CG1 3.32Å; L259-I263 PolarHBondContact O-N 2.85Å; Q260-I263 PolarHBondContact O-N 3.23Å; Q261-I263 VanDerWaalsContact C-N 3.33Å; Q261-I263 PolarHBondContact O-N 2.86Å; I263-V265 VanDerWaalsContact C-N 3.25Å; I263-V265 PolarHBondContact O-N 3.32Å; I263-T266 PolarHBondContact O-N 3.43Å; I263-Q267 PolarHBondContact O-N 2.95Å; I263-L448 HydrophobicContact CD1-CD1 3.8Å; I263-L448 HydrophobicContact CD1-CD2 4.31Å
264R80Confident72Confident140 Ų14077.7 Ų77.753%0.52839%0.394SS..Hα-helixtrans-58-37.1177.8-71.2172.4-170.1-163.29112.4Q260 Q261 I271Q260-R264 VanDerWaalsContact O-CG 3.27Å; Q260-R264 WeakPolarHBondContact O-CG 3.43Å; Q260-R264 PolarHBondContact O-N 3.25Å; Q261-R264 PolarHBondContact O-N 3.22Å; R264-I271 HydrophobicContact CB-CD1 4.4Å; R264-I271 HydrophobicContact CG-CD1 3.97Å
265V73.8Confident69.6Low118 Ų11885.7 Ų85.772%0.71543%0.427SS*.Hα-helixtrans-76.6-37177.6173.70000112.2Q261 I263Q261-V265 WeakPolarHBondContact O-CG2 3.24Å; Q261-V265 PolarHBondContact O-N 2.82Å; I263-V265 VanDerWaalsContact C-N 3.25Å; I263-V265 PolarHBondContact O-N 3.32Å
266T68.9Low67Low91 Ų9189.5 Ų89.556%0.55845%0.454SS*.Hα-helixtrans-87.3-25.2-173.9-48.10000113.3L262 I263L262-T266 VanDerWaalsContact O-CB 3.28Å; L262-T266 WeakPolarHBondContact O-CB 3.24Å; L262-T266 PolarHBondContact O-N 3.03Å; L262-T266 PolarHBondContact O-OG1 3Å; I263-T266 PolarHBondContact O-N 3.43Å
267Q61.2Low64.4Low90 Ų9095.9 Ų95.942%0.42148%0.483SS..  trans-138.367-174-67-175.5-29.100112.8I263 E269 L270I263-Q267 PolarHBondContact O-N 2.95Å; Q267-E269 VanDerWaalsContact C-N 3.31Å; Q267-E269 PolarHBondContact O-N 3.45Å; Q267-L270 HydrophobicContact CB-CD1 4.24Å
268P56.5Low61.8Low77 Ų77100.8 Ų100.850%0.551%0.506SS..G310 helixtrans-64.8-28.8-177.625.7-35000114L270 I271P268-L270 PolarHBondContact O-N 3.41Å; P268-I271 PolarHBondContact O-N 2.86Å
269E48.7Very low59.3Low156 Ų156104.8 Ų104.873%0.72953%0.534SS*.G310 helixtrans-69.9-30.6-175.8-62.5-170.8175.100113.6Q267 I271 Q272Q267-E269 VanDerWaalsContact C-N 3.31Å; Q267-E269 PolarHBondContact O-N 3.45Å; E269-I271 PolarHBondContact O-N 3.46Å; E269-I271 VanDerWaalsContact O-N 3.08Å; E269-Q272 PolarHBondContact O-N 2.89Å
270L53.5Low56.7Low107 Ų107112 Ų11256%0.5657%0.567SS**G310 helixtrans-66.3-10.2178.6-91164.9000113.9Q267 P268 T273Q267-L270 HydrophobicContact CB-CD1 4.24Å; P268-L270 PolarHBondContact O-N 3.41Å; L270-T273 PolarHBondContact O-OG1 3.38Å
271I52.7Low54Low104 Ų104116.7 Ų116.753%0.53359%0.593SS.*G310 helixtrans-92.1-22.9175.8-57175.2000111R264 P268 E269R264-I271 HydrophobicContact CB-CD1 4.4Å; R264-I271 HydrophobicContact CG-CD1 3.97Å; P268-I271 PolarHBondContact O-N 2.86Å; E269-I271 PolarHBondContact O-N 3.46Å; E269-I271 VanDerWaalsContact O-N 3.08Å
272Q44.8Very low51.7Low135 Ų135119 Ų11963%0.63162%0.615SS**THydrogen-bonded Turntrans-82.7-32.9-176.6-62.7-169.18.200113.2E269 H274 K275 S276E269-Q272 PolarHBondContact O-N 2.89Å; Q272-H274 VanDerWaalsContact C-N 3.29Å; Q272-H274 PolarHBondContact O-N 3.12Å; Q272-K275 PolarHBondContact O-N 3.35Å; Q272-S276 PolarHBondContact O-N 2.98Å; Q272-S276 PolarHBondContact O-OG 3.12Å
273T43.1Very low49.3Very low80 Ų80126.7 Ų126.749%0.49165%0.649SS.*THydrogen-bonded Turntrans-56.7-38.7-177.148.20000113.4L270L270-T273 PolarHBondContact O-OG1 3.38Å
274H45.3Very low47Very low150 Ų150133.4 Ų133.469%0.69468%0.68SS**THydrogen-bonded Turntrans-70.4-28.8177.7-83.3-76.1000114.1Q272 S276Q272-H274 VanDerWaalsContact C-N 3.29Å; Q272-H274 PolarHBondContact O-N 3.12Å; H274-S276 VanDerWaalsContact C-N 3.34Å
275K42.2Very low44.7Very low182 Ų182131.5 Ų131.579%0.79169%0.688SS**THydrogen-bonded Turntrans-79.6-18.9-178.3-158.1171.3-175.1178.70113.1Q272Q272-K275 PolarHBondContact O-N 3.35Å
276S36.5Very low42.8Very low80 Ų80135.1 Ų135.156%0.55969%0.694SS**THydrogen-bonded Turntrans-89.4-9.4179.8-570000114.3Q272 H274Q272-S276 PolarHBondContact O-N 2.98Å; Q272-S276 PolarHBondContact O-OG 3.12Å; H274-S276 VanDerWaalsContact C-N 3.34Å
277Q38.4Very low40.9Very low164 Ų164136.3 Ų136.377%0.76671%0.706SS**SBendtrans-101.4-11.9-172.6-159.8167.211.100114
278E37.1Very low39.5Very low185 Ų185137.3 Ų137.386%0.86473%0.729SS**SBendtrans-89.8-7.5176.9-163.5166-146.200112.9
279S36.1Very low38.2Very low90 Ų90138.3 Ų138.363%0.62974%0.738SS**SBendtrans-111.931.6-170.767.60000114.9
280Q34.4Very low37.3Very low172 Ų172137.7 Ų137.780%0.80474%0.74SS**  trans-134.586.3173.4-69-166.32.700112.3
281L32Very low36.3Very low170 Ų170141.7 Ų141.789%0.8975%0.753SS**PPolyproline II helixtrans-98.1131.2155-77.8167.8000108.2
282P37.7Very low35.1Very low121 Ų121141.4 Ų141.479%0.78676%0.76SS**PPolyproline II helixtrans-77.6129171.8-8.925.6000110.8
283E32.1Very low35Very low196 Ų196139.9 Ų139.992%0.91676%0.762SS**PPolyproline II helixtrans-80127.7159.3-69.9-166.4143.600109.7
284E32.6Very low34.3Very low194 Ų194143.7 Ų143.791%0.90778%0.778SS**  trans-110.9153.2155.7-76.5-155.4129.500109.9
285S31.7Very low33.6Very low99 Ų99142.3 Ų142.369%0.69278%0.78SS**  trans-140.7154-172.667.40000113
286K34Very low33.2Very low194 Ų194140.2 Ų140.284%0.84378%0.777SS**  trans77.1144.8175.3-53.7165.7-172.71700114.6
287S28.1Very low32.7Very low117 Ų117143.3 Ų143.382%0.81878%0.783SS**  cis-169.5139-14.847.20000111.4
288A31.2Very low32.4Very low110 Ų110140 Ų14091%0.90978%0.783SS**  trans-150.2153.8161.200000109.5
289S30.3Very low32Very low99 Ų99137.5 Ų137.569%0.69278%0.776SS**  trans-126.9147.1-164.169.70000115.4
290N29.4Very low31.7Very low143 Ų143144 Ų14477%0.76579%0.787SS**  trans54.9109.1147.5-55.8-24.6000116.9
291K32.2Very low31.7Very low191 Ų191139.8 Ų139.883%0.8378%0.781SS**  -171.412967.7-86.4-177.9-178.8175.60113.2
292S28.6Very low31.8Very low98 Ų98138 Ų13869%0.68578%0.779SS**  16.8156.5125.562.70000121.7
293P41.5Very low31.3Very low102 Ų102136.7 Ų136.766%0.66278%0.779SS**  cis-147.8-168.1-23.136.9-14.8000115
294L28.2Very low31Very low161 Ų161132 Ų13284%0.84377%0.774SS**  trans68.7161.4163.9-54.3170.3000114.1
295V31.2Very low31Very low121 Ų121129 Ų12973%0.73377%0.769SS**  cis-162.1149.61.9105.70000106.5
296L32.8Very low30.9Very low138 Ų138133.9 Ų133.972%0.72378%0.781SS**  cis-149.9-110.9-12.6-136.7-177.8000111.3
297E27.5Very low30.6Very low145 Ų145128.1 Ų128.168%0.67878%0.776SS**  trans-87.9153-177-70.2140.3151.900113.9
298A32.2Very low30.7Very low94 Ų94128.2 Ų128.278%0.77777%0.772SS**  cis73.542.327.700000116.1
299N28.2Very low30.7Very low132 Ų132130.8 Ų130.871%0.70677%0.765SS**  trans-159.4146.7160.6-96.9-60.1000107.3
300R28.9Very low30.7Very low228 Ų228131.9 Ų131.986%0.8677%0.768SS**  cis-155.1163.87.6-160.5168.8178.8147.3-6108.6
301A35.2Very low30.5Very low83 Ų83133 Ų13369%0.68677%0.774SS**  trans-65.5163.9165.500000110.5
302P34.4Very low30.3Very low132 Ų132127.5 Ų127.586%0.85777%0.771SS**  -151.7-142.955.945-22.5000115
303A26.1Very low30.4Very low93 Ų93127.2 Ų127.277%0.76978%0.775SS**  trans-81.7-175.7-177.300000114.5
304A27.6Very low30.1Very low99 Ų99131.2 Ų131.282%0.81878%0.784SS**  trans78.4128.2172.500000116.9
305T31.4Very low30.5Very low131 Ų131132.5 Ų132.580%0.80479%0.786SS**SBendtrans-61130.6158.9450000110.1
306E29.1Very low30.7Very low201 Ų201131 Ų13194%0.93979%0.786SS**SBendtrans28.1100.2156.2-56.6-176.4139.400117.4
307G29.4Very low30.7Very low72 Ų72129.7 Ų129.774%0.74280%0.795SS**  trans170.235.4176.700000121
308T29.7Very low30.8Very low119 Ų119126.5 Ų126.573%0.7380%0.801SS**  trans12.7122.3139.6-53.30000120.8
309H30.3Very low30.6Very low165 Ų165127.6 Ų127.676%0.76480%0.803SS**  trans67.1150.7152.2-68.5-29.5000119.9
310T30.6Very low30.4Very low122 Ų122126.5 Ų126.575%0.74880%0.804SS**  cis-158.2176.4-27.711.50000108.4
311D25.5Very low30.3Very low167 Ų167121 Ų12189%0.89380%0.797SS**  trans-54.1145.4170.4-65.6-75.3000114.5
312G26.9Very low30Very low75 Ų75125.6 Ų125.677%0.77380%0.804SS**  trans114.9102148.200000118.5
313A31.5Very low29.6Very low92 Ų92123.2 Ų123.276%0.7680%0.796SS**  trans65.1125.6150.900000121.8
314E35.4Very low30.7Very low186 Ų186124.4 Ų124.487%0.86980%0.795SS**  trans60.6130.5139.8-58.9-173.6147.800123.6
315E36.7Very low30.8Very low188 Ų188124.7 Ų124.788%0.87979%0.791SS**  trans56.8125.9147.7-61.6-120115.200125
316A36.4Very low30.7Very low88 Ų88127.1 Ų127.173%0.72779%0.793SS**  trans75.8110.9132.300000125.2
317A32.6Very low30.9Very low112 Ų112122.6 Ų122.693%0.92678%0.784SS**  trans66.5135.1130.600000124.8
318G28.1Very low32.2Very low77 Ų77125.1 Ų125.179%0.79479%0.787SS**  trans132.990.7137.200000123.5
319S29.6Very low33.8Very low118 Ų118125.2 Ų125.283%0.82579%0.79SS**  trans45.7124.3133-145.10000126.7
320C24Very low33.6Very low108 Ų108123.3 Ų123.373%0.7380%0.795SS**  trans82.5132.8132.5-99.20000128.4
321T26.2Very low33.8Very low114 Ų114126.8 Ų126.870%0.69980%0.8SS**  trans85.7127.7136.540.90000127.9
322Q28.7Very low34.9Very low178 Ų178123.9 Ų123.983%0.83279%0.79SS**  trans93130.8130.3-83.2-174.257.300126.9
323A25.5Very low35.3Very low83 Ų83129.4 Ų129.469%0.68679%0.793SS**  trans81.2167.6130.700000122.4
324P49.7Very low35.2Very low118 Ų118132.2 Ų132.277%0.76679%0.794SS**  cis-146.6-168-48.243.5-26.9000117.4
325S29.5Very low35Very low104 Ų104129.4 Ų129.473%0.72779%0.789SS**  trans90.5163.9158.184.90000117.3
326H30Very low34.7Very low182 Ų182127 Ų12784%0.84379%0.788SS**  cis-155168.61.8-140.8-36.2000110.7
327S33.7Very low34.3Very low106 Ų106132 Ų13274%0.74179%0.793SS**  trans-155.1154.6172.956.10000116
328P54.7Low35.2Very low126 Ų126131.9 Ų131.982%0.81878%0.782SS**  trans-114.9175.218036.1-21.1000115.9
329P63.6Low36.1Very low120 Ų120134 Ų13478%0.77978%0.782SS**  trans-126151.9-160.441.4-30000120
330S26.8Very low35.9Very low126 Ų126131.4 Ų131.488%0.88177%0.774SS**  trans-147.8165.7138.765.60000112.9
331K34.5Very low36.1Very low195 Ų195131.9 Ų131.985%0.84878%0.778SS**  trans-155176.1-156.4-95.1176.5-176.5173.10110.1
332P49.9Very low36.2Very low106 Ų106131.3 Ų131.369%0.68878%0.779SS**  cis-156163.63343.9-22000121.9
333K33.5Very low36.2Very low191 Ų191130.5 Ų130.583%0.8378%0.78SS**  trans62.9147.7139.8-72.9177.5176.8-178.30120.2
334L31Very low36.3Very low151 Ų151134.2 Ų134.279%0.79179%0.788SS**  cis-140.1-142.29.5-128.5169.4000113.7
335V31.4Very low35.2Very low126 Ų126132 Ų13276%0.76479%0.787SS**  trans-153.7156.3-158.8155.80000112.1
336V29.8Very low35.3Very low139 Ų139134.1 Ų134.184%0.84280%0.795SS**  trans177.5153.7140.2154.20000111.1
337K28.2Very low35.5Very low193 Ų193130.8 Ų130.884%0.83979%0.79SS**  trans-161.5175.5-179.1-136-171.5179.7179.50107.4
338P50.9Low35.9Very low109 Ų109131.2 Ų131.271%0.70879%0.79SS**  cis-123.7-133.5-1843.2-23.8000109.1
339P46.7Very low34.6Very low121 Ų121132.1 Ų132.179%0.78679%0.788SS**  cis-126.7176-38.638.9-23.6000114.7
340G26.5Very low33.5Very low64 Ų64132.3 Ų132.366%0.6679%0.789SS**  trans115.993.6135.900000122.7
341S26.8Very low33.8Very low117 Ų117131.1 Ų131.182%0.81878%0.776SS**  trans71.8155.114479.60000123.2
342S28.5Very low33.7Very low103 Ų103127.4 Ų127.472%0.7277%0.772SS**  trans88.380.3150.7-520000122
343L29.4Very low32.8Very low161 Ų161129.4 Ų129.484%0.84378%0.776SS**  trans58138.1134.8-62.2173.9000123.8
344N27.1Very low32.6Very low161 Ų161126.2 Ų126.286%0.86177%0.772SS**  trans76123.9157-64.1-13.3000120.9
345G27Very low32.4Very low72 Ų72128.4 Ų128.474%0.74278%0.778SS**  trans118.9113.5156.900000115.9
346V31.3Very low32.5Very low148 Ų148132 Ų13290%0.89778%0.778SS**  trans-133106.8170.2179.10000110.9
347P33.7Very low32.4Very low112 Ų112133 Ų13373%0.72778%0.777SS**  trans-98174.6165.435.7-28.2000112.4
348P41.9Very low32.6Very low114 Ų114129.5 Ų129.574%0.7478%0.775SS**  trans-127.2165.1-142.343.5-33.4000118.8
349N28.7Very low31.8Very low146 Ų146127.9 Ų127.978%0.78177%0.77SS**  trans65.1171148.1-100.5-0.5000118.6
350P40Very low31.3Very low123 Ų123131.5 Ų131.580%0.79977%0.774SS**  cis-131.9-160.124.243.7-24.5000117.2
351T32.9Very low31.8Very low101 Ų101136.2 Ų136.262%0.6278%0.783SS**  trans-101-175.2-161.658.20000114.8
352P33.1Very low32Very low118 Ų118137.4 Ų137.477%0.76678%0.781SS**  -128126.3104.735.6-28.6000112.3
353I30.1Very low32.4Very low148 Ų148140 Ų14076%0.75979%0.787SS**  84.6132.886.3-70.2166.9000113.5
354V29.1Very low32.7Very low123 Ų123139.6 Ų139.675%0.74578%0.78SS**  trans-130.5149.9-173.4169.60000108.8R356V354-R356 HydrophobicContact CG1-CB 4.44Å
355Q28.1Very low33Very low197 Ų197138.6 Ų138.692%0.92178%0.775SS**  trans-108.9141.7157.8-73.2-168.3-11.100110.2
356R33.3Very low33.4Very low202 Ų202145.7 Ų145.776%0.76278%0.781SS**  trans-146.6141.3-169.8-178.3178.9-172.5168.94.9110.2V354V354-R356 HydrophobicContact CG1-CB 4.44Å
357L27.2Very low33.5Very low159 Ų159142.3 Ų142.383%0.83277%0.768SS**  trans-120.8163.1162.2-79.4173.2000109.8
358P32.2Very low33.4Very low120 Ų120146.5 Ų146.578%0.77978%0.775SS**  trans-78.4159.4-144.9-20.634.7000116.1
359A34Very low33Very low75 Ų75146.6 Ų146.662%0.6278%0.778SS**  trans-92.9132.6171.600000111.1
360F36Very low33.4Very low197 Ų197145.8 Ų145.886%0.86478%0.781SS**  trans-152.6145.5150-122.5-82.8000108.7
361L36.7Very low33.1Very low163 Ų163149 Ų14985%0.85379%0.788SS**  trans6181177.6-51.5-179.2000116.3
362D32.4Very low33.3Very low143 Ų143152.5 Ų152.577%0.76580%0.797SS**  trans-132.9117143.9-171.60.9000108.2
363N35.3Very low33.5Very low158 Ų158156.4 Ų156.485%0.84581%0.805SS**  trans-123123.2-173.7-13824.2000107.8N365N363-N365 PolarHBondContact O-N 2.66Å
364H36.2Very low33.8Very low152 Ų152158.9 Ų158.970%0.70481%0.813SS**  trans-65128-149.5-51.3-26.1000115.3Y366H364-Y366 HydrophobicContact CB-CD2 3.88Å; H364-Y366 HydrophobicContact CB-CE2 4.2Å
365N34Very low34.2Very low139 Ų139161.7 Ų161.774%0.74382%0.818SS**  trans-99.973.9172.9-171.41.6000111.5N363 A367N363-N365 PolarHBondContact O-N 2.66Å; N365-A367 PolarHBondContact O-N 2.75Å
366Y36.1Very low34.5Very low222 Ų222160 Ų16087%0.87182%0.816SS**  trans-7663.8175.2-92-82.3000111.9H364H364-Y366 HydrophobicContact CB-CD2 3.88Å; H364-Y366 HydrophobicContact CB-CE2 4.2Å
367A32.1Very low34.6Very low77 Ų77158.8 Ų158.864%0.63682%0.823SS**  trans-143.131.9-179.100000114.4N365N365-A367 PolarHBondContact O-N 2.75Å
368K32.9Very low34.8Very low200 Ų200156.3 Ų156.387%0.8783%0.826SS**  trans-139.8100167.6-76.2-166.5175.7-173.20112.1
369S32.8Very low34.8Very low115 Ų115156 Ų15680%0.80483%0.833SS**  trans-94.7135.7153.5-62.90000108.4M371S369-M371 PolarHBondContact O-N 3.25Å
370P37.3Very low34.6Very low130 Ų130155.6 Ų155.684%0.84484%0.836SS**  trans-79.7118.6179.630.8-32.4000111.2
371M32.3Very low34.4Very low191 Ų191153.3 Ų153.394%0.94184%0.838SS**  trans-137.666.8168.2-86.5-167.266.700109.9S369S369-M371 PolarHBondContact O-N 3.25Å
372Q37.3Very low34Very low173 Ų173149 Ų14981%0.80883%0.833SS**  trans-159.465168.4-164.2155.22300113.5
373E38.3Very low33.8Very low200 Ų200154 Ų15494%0.93584%0.841SS**  trans-144.458.1165.8-71.7-165.8174.400111.6
374E36.6Very low33.3Very low201 Ų201152.3 Ų152.394%0.93984%0.842SS**  trans-153.134.2171-145.1172.6-143.300115.3
375E37Very low33Very low181 Ų181156.9 Ų156.985%0.84685%0.853SS**SBendtrans-118.611.1177.9-149.5171.5-16700114.1
376D33.5Very low32.7Very low163 Ų163156.4 Ų156.487%0.87286%0.855SS**SBendtrans-120.825.7-174.5-114.8-28.9000114.3
377L36.2Very low32.5Very low176 Ų176151.8 Ų151.892%0.92185%0.852SS**  trans-147.178172.7-81.3-175.6000113.6
378A31.6Very low32.2Very low106 Ų106154.7 Ų154.788%0.87686%0.861SS**  trans-14426.617600000116G380A378-G380 PolarHBondContact O-N 2.69Å
379A32.8Very low32Very low113 Ų113155.8 Ų155.893%0.93486%0.86SS**  trans-93.672-179.700000114
380G28.8Very low32.1Very low67 Ų67155.5 Ų155.569%0.69186%0.856SS**  trans100.8171.5156.900000119A378A378-G380 PolarHBondContact O-N 2.69Å
381V31.3Very low31.9Very low150 Ų150155.4 Ų155.491%0.90986%0.855SS**  trans75.497-175.3-169.20000115.6
382G28.4Very low31.7Very low72 Ų72154.7 Ų154.774%0.74285%0.849SS**  trans-95.8156.7168.700000113.6
383R28.1Very low31.3Very low248 Ų248154.1 Ų154.194%0.93685%0.846SS**  trans-140.9139.4160.1-83.4-166.1169.7-165-2.7110.8
384S26Very low30.9Very low123 Ų123154.3 Ų154.386%0.8684%0.84SS**  trans-74.4147.3-178.3-44.80000113
385R28.7Very low30.6Very low248 Ų248148.9 Ų148.994%0.93682%0.824SS**  trans-134.4157.8154.2-88.3-170.5168.1170.6-2.8110.7
386V29.5Very low30.5Very low129 Ų129148 Ų14878%0.78283%0.825SS**PPolyproline II helixtrans-88.6146.4-164.2179.70000111.1
387P30.1Very low30.6Very low124 Ų124146.1 Ų146.181%0.80582%0.815SS**PPolyproline II helixtrans-66.7142.5175.1-17.731.6000112.6
388V27Very low30.6Very low138 Ų138146.8 Ų146.884%0.83681%0.814SS**PPolyproline II helixtrans-102.3135.4170.9177.90000109
389R29.3Very low30.8Very low224 Ų224149.6 Ų149.685%0.84581%0.814SS**PPolyproline II helixtrans-68.1143.8177.5-87.8-179.8165.5176-7112
390P34.2Very low31Very low109 Ų109150.7 Ų150.771%0.70880%0.804SS**PPolyproline II helixtrans-72.9156.8155.833.6-33.9000111
391P32.9Very low31.6Very low127 Ų127158.8 Ų158.883%0.82582%0.816SS**PPolyproline II helixtrans-75.8161.3174.532.3-35000112.9
392Q27.7Very low31.9Very low177 Ų177159.8 Ų159.883%0.82781%0.81SS**  trans-109.6-176.6174.4-70.6-178.9-88.100111.6
393Q29.2Very low32.2Very low160 Ų160163.8 Ų163.875%0.74882%0.815SS**  trans85.3139179.8-51.2-175.6-38.800113.9
394Y29.1Very low32.5Very low204 Ų204159.2 Ų159.280%0.881%0.809SS**  cis-114.5168.88.4-96.7-92.7000114.3
395S30.5Very low33.2Very low87 Ų87162.9 Ų162.961%0.60881%0.812SS**  trans-91.5166.1170.256.60000112.2
396D35.9Very low33.5Very low162 Ų162158.2 Ų158.287%0.86681%0.806SS**  trans-155153.4143.5-138.53.3000107
397D35.7Very low33.8Very low125 Ų125157.5 Ų157.567%0.66880%0.798SS**  trans-137.1175.9-159.4-52.2-89.6000109
398E34.9Very low33.9Very low190 Ų190158.6 Ų158.689%0.88880%0.797SS**  cis-137.1-113.720.2-60176.2103.800111.1
399D35.9Very low34.1Very low164 Ų164156.1 Ų156.188%0.87778%0.782SS**  trans67.896.3168.6-68.5-10.2000122.6
400D37.7Very low34.1Very low137 Ų137153.8 Ų153.873%0.73378%0.781SS**  trans-52.6165.4171.9-64.2-50.5000119.1
401Y42Very low33.7Very low237 Ų237154.5 Ų154.593%0.92978%0.779SS**  -165.2143.3106.2-99.5-70.7000112
402E36.9Very low33.5Very low170 Ų170155.1 Ų155.179%0.79478%0.78SS**  trans-101.1160-173.6-60.6175.2126.800114.5
403D34.2Very low33.4Very low156 Ų156153.5 Ų153.583%0.83478%0.777SS**  trans152.3105.1155.8-94.2-6.6000106.9
404D36.1Very low33.3Very low152 Ų152151.7 Ų151.781%0.81378%0.782SS**  71.5137.861.5-68-10.6000114.2
405E39.3Very low33.2Very low200 Ų200146.7 Ų146.794%0.93578%0.783SS**  cis-136.8-148.914-154.6-176.5-177.700113.3
406D35.1Very low33.1Very low150 Ų150149.7 Ų149.780%0.80279%0.791SS**  trans-129177.3-167-144.123.8000112.2
407D35.2Very low32.7Very low114 Ų114153.5 Ų153.561%0.6179%0.793SS**  cis-129.4-90.12164.931000112.3V409D407-V409 WeakPolarHBondContact OD2-CA 3.23Å; D407-V409 WeakPolarHBondContact OD2-CG2 3.25Å; D407-V409 PolarHBondContact OD2-N 3.15Å
408D32.9Very low32.2Very low147 Ų147158.3 Ų158.379%0.78680%0.803SS**  cis-122.1158.77.2176.339.1000112.6
409V31.6Very low31.8Very low86 Ų86158.9 Ų158.952%0.52180%0.803SS.*  trans-81132.9-151.9-154.20000114.9D407D407-V409 WeakPolarHBondContact OD2-CA 3.23Å; D407-V409 WeakPolarHBondContact OD2-CG2 3.25Å; D407-V409 PolarHBondContact OD2-N 3.15Å
410Q28.8Very low31.3Very low176 Ų176163.3 Ų163.382%0.82281%0.807SS**  163.7112.1121.3-86.9158.172.500112.7
411N26.5Very low30.7Very low124 Ų124166.3 Ų166.366%0.66381%0.814SS**  75.310661.5-174.919.6000115.1
412T28.9Very low29.9Very low139 Ų139157.9 Ų157.985%0.85380%0.798SS**  -175.5156120.924.40000113.8
413N25.8Very low29.4Very low144 Ų144156.5 Ų156.577%0.7780%0.802SS**  trans-84153-178.4-69-87.4000113
414S25.9Very low28.9Very low121 Ų121152.9 Ų152.985%0.84680%0.801SS**  172.3145.7110.5-77.70000113.6
415A27.9Very low28.5Very low99 Ų99155.6 Ų155.682%0.81881%0.806SS**  trans-109.4138.7174.300000111.8
416I28.1Very low28.5Very low151 Ų151151.9 Ų151.977%0.77480%0.799SS**  trans-127.9126.7167.1-64.6-177.2000109.8Y418I416-Y418 HydrophobicContact CG2-CD2 4Å; I416-Y418 HydrophobicContact CG2-CE2 4.02Å
417R26.5Very low27.9Very low241 Ų241148.3 Ų148.391%0.90980%0.798SS**  trans-90.5142.4167.8-66171.9173.3161.6-2.7109.4
418Y26.1Very low27.4Very low227 Ų227147.2 Ų147.289%0.8980%0.804SS**  trans-127.8137.2148.8-93.8-79.1000111.5I416I416-Y418 HydrophobicContact CG2-CD2 4Å; I416-Y418 HydrophobicContact CG2-CE2 4.02Å
419K26.8Very low27.1Very low202 Ų202148.4 Ų148.488%0.87881%0.81SS**  trans-136.4127.8179.3-155.9-180-169.9178.50106.9
420R25.3Very low26.9Very low257 Ų257150 Ų15097%0.9783%0.825SS**  trans-137.4156.8164.2-142.1169.7-158.4-1776.2110.8
421K25.7Very low26.7Very low200 Ų200144.9 Ų144.987%0.8782%0.819SS**  trans-148.7141-162.6175.8-171176.1-171.40108.6
422G25.4Very low26.7Very low59 Ų59145.2 Ų145.261%0.60883%0.831SS**  trans142.9101.417200000110.5
423T25.8Very low26.7Very low142 Ų142143 Ų14387%0.87183%0.827SS**  73.4103.569.763.40000114.2
424G24.1Very low26.8Very low79 Ų79143.9 Ų143.981%0.81483%0.832SS**  trans-175.8122.7171.100000113.3
425K27.5Very low26.8Very low209 Ų209141.7 Ų141.791%0.90983%0.828SS**  trans-160163.3171.6-112.8-169.5178.7-175.20106.2
426P39Very low26.8Very low122 Ų122146 Ų14679%0.79283%0.831SS**  cis-134.3-179.82.741.7-25.2000115.8
427G23.3Very low27Very low76 Ų76146.5 Ų146.578%0.78484%0.835SS**  trans97.5159.2156.100000116.8
428A24.6Very low27Very low90 Ų90140 Ų14074%0.74483%0.827SS**  cis-167.2159.3-1900000109.8
429L26.2Very low27.4Very low172 Ų172134.9 Ų134.990%0.90182%0.819SS**  trans67.6149.4179-46173.4000113.7
430S26.8Very low27.7Very low121 Ų121130.7 Ų130.785%0.84681%0.805SS**  cis-163.3155.8-11.446.50000107.6
431G24.6Very low28Very low67 Ų67124.4 Ų124.469%0.69179%0.787SS**  cis159.4150.2-3.100000110.8
432S27Very low28.8Very low131 Ų131119 Ų11992%0.91677%0.772SS**  trans67.5146.6173.6-71.90000118.4
433A27.5Very low29.3Very low92 Ų92121.2 Ų121.276%0.7677%0.77SS**  cis-151.8143.7-8.600000112.3
434D28.2Very low30.3Very low163 Ų163118.8 Ų118.887%0.87276%0.755SS**  trans-78.6132.3160.1-72.9-65.6000110.3
435G25.6Very low31.5Very low75 Ų75118.4 Ų118.477%0.77373%0.733SS**  trans-85.8107.5175.300000112
436Q28.6Very low32.3Very low190 Ų190113.3 Ų113.389%0.88872%0.716SS**  trans-65.2133.3173.9-68.1-175.8-58.600111.6S438Q436-S438 PolarHBondContact O-N 2.8Å
437L31.6Very low32.9Very low161 Ų161112 Ų11284%0.84371%0.706SS**  trans-63.8117.1168.1-88.474000110.1V439L437-V439 PolarHBondContact O-N 3.02Å
438S27.8Very low34.1Very low106 Ų106111.1 Ų111.174%0.74168%0.683SS**  trans-85.695.2167.7-164.80000109.9Q436 L440Q436-S438 PolarHBondContact O-N 2.8Å; S438-L440 PolarHBondContact O-N 2.8Å
439V33.4Very low35.2Very low119 Ų119108.8 Ų108.872%0.72166%0.664SS**  trans-72.798.3173.51800000109L437L437-V439 PolarHBondContact O-N 3.02Å
440L32.7Very low36.2Very low113 Ų113105.8 Ų105.859%0.59265%0.645SS**  trans-68.2131.6172.9-67.6178.1000110.6S438S438-L440 PolarHBondContact O-N 2.8Å
441Q33.4Very low37.1Very low126 Ų126106 Ų10659%0.58963%0.631SS**  trans-66.4137-174.6-72.4-88.2-38.100111.8N443Q441-N443 PolarHBondContact O-N 2.79Å
442P40.9Very low38Very low86 Ų86106.4 Ų106.456%0.55862%0.617SS**THydrogen-bonded Turntrans-56.2-27.6179.5-27.535.1000114.8T444 I445P442-T444 VanDerWaalsContact C-N 3.3Å; P442-T444 PolarHBondContact O-N 3.4Å; P442-I445 PolarHBondContact O-N 2.65Å
443N37.4Very low38.8Very low105 Ų105106.1 Ų106.156%0.56160%0.599SS**Hα-helixtrans-62.5-31.6-170.8-63.1-23.2000113.7Q441 I445 N446 V447Q441-N443 PolarHBondContact O-N 2.79Å; N443-I445 VanDerWaalsContact C-N 3.32Å; N443-I445 PolarHBondContact O-N 3.44Å; N443-N446 PolarHBondContact O-N 2.95Å; N443-V447 WeakPolarHBondContact O-CG2 3.47Å; N443-V447 PolarHBondContact O-N 2.82Å
444T45.2Very low39.2Very low91 Ų91107.2 Ų107.256%0.55859%0.588SS**Hα-helixtrans-65.8-34.3-179.4-470000112.2P442 L448P442-T444 VanDerWaalsContact C-N 3.3Å; P442-T444 PolarHBondContact O-N 3.4Å; T444-L448 HydrophobicContact CG2-CD1 4.45Å; T444-L448 WeakPolarHBondContact O-CG 3.32Å; T444-L448 PolarHBondContact O-N 2.83Å
445I50.1Low39.7Very low71 Ų71103.1 Ų103.136%0.36457%0.573SS.*Hα-helixtrans-71.4-41.4-179.7-60.7175.2000110.4L256 P442 N443 V447 L448 A449L256-I445 HydrophobicContact CD2-CD1 3.87Å; P442-I445 PolarHBondContact O-N 2.65Å; N443-I445 VanDerWaalsContact C-N 3.32Å; N443-I445 PolarHBondContact O-N 3.44Å; I445-V447 PolarHBondContact O-N 2.71Å; I445-L448 PolarHBondContact O-N 2.95Å; I445-A449 PolarHBondContact O-N 2.97Å
446N44.7Very low40.3Very low102 Ų102107.1 Ų107.155%0.54557%0.571SS.*Hα-helixtrans-62.3-40.9177.6-71.4-21.9000112.3N443 L448 A449 E450N443-N446 PolarHBondContact O-N 2.95Å; N446-L448 VanDerWaalsContact C-N 3.35Å; N446-L448 PolarHBondContact O-N 3.22Å; N446-A449 PolarHBondContact O-N 2.92Å; N446-E450 PolarHBondContact O-N 3.01Å
447V51.4Low40.6Very low94 Ų94105.7 Ų105.757%0.5756%0.562SS**Hα-helixtrans-62.8-40.6176.7172.60000111.6N443 I445 K451N443-V447 WeakPolarHBondContact O-CG2 3.47Å; N443-V447 PolarHBondContact O-N 2.82Å; I445-V447 PolarHBondContact O-N 2.71Å; V447-K451 WeakPolarHBondContact O-CB 3.33Å; V447-K451 WeakPolarHBondContact O-CG 3.41Å; V447-K451 PolarHBondContact O-N 3.42Å
448L47.3Very low40.6Very low59 Ų59105.3 Ų105.331%0.30956%0.561SS.*Hα-helixtrans-68.6-37.8176.6-70164.6000112.3I263 T444 I445 N446 K451 L452I263-L448 HydrophobicContact CD1-CD1 3.8Å; I263-L448 HydrophobicContact CD1-CD2 4.31Å; T444-L448 HydrophobicContact CG2-CD1 4.45Å; T444-L448 WeakPolarHBondContact O-CG 3.32Å; T444-L448 PolarHBondContact O-N 2.83Å; I445-L448 PolarHBondContact O-N 2.95Å; N446-L448 VanDerWaalsContact C-N 3.35Å; N446-L448 PolarHBondContact O-N 3.22Å; L448-K451 PolarHBondContact O-N 2.8Å; L448-L452 PolarHBondContact O-N 2.82Å
449A47.8Very low41.2Very low41 Ų41108.5 Ų108.534%0.33957%0.568SS.*Hα-helixtrans-66.4-42.5176.400000112.5I445 N446 L452 K453I445-A449 PolarHBondContact O-N 2.97Å; N446-A449 PolarHBondContact O-N 2.92Å; A449-L452 PolarHBondContact O-N 3.08Å; A449-K453 PolarHBondContact O-N 3.41Å; A449-K453 VanDerWaalsContact O-N 3.14Å
450E47.6Very low41Very low108 Ų108107.6 Ų107.651%0.50557%0.568SS.*Hα-helixtrans-65.7-42.8174-74-63.8111.500111.8N446 L452 K453 E454N446-E450 PolarHBondContact O-N 3.01Å; E450-L452 PolarHBondContact O-N 2.73Å; E450-K453 WeakPolarHBondContact O-CB 3.45Å; E450-K453 PolarHBondContact O-N 2.89Å; E450-K453 VanDerWaalsContact O-N 3.12Å; E450-K453 WeakPolarHBondContact OE1-CD 3.5Å; E450-K453 WeakPolarHBondContact OE1-CE 3.46Å; E450-K453 IonicContact OE1-NZ 2.71Å; E450-K453 PolarHBondContact OE1-NZ 3.43Å; E450-E454 PolarHBondContact O-N 3.45Å
451K45.8Very low41.2Very low127 Ų127110 Ų11055%0.55258%0.579SS**Hα-helixtrans-60.6-32.5175.1-82-75163.4-160.60113.2V447 L448 E454V447-K451 WeakPolarHBondContact O-CB 3.33Å; V447-K451 WeakPolarHBondContact O-CG 3.41Å; V447-K451 PolarHBondContact O-N 3.42Å; L448-K451 PolarHBondContact O-N 2.8Å; K451-E454 IonicContact NZ-OE2 2.67Å; K451-E454 PolarHBondContact NZ-OE2 3.01Å
452L43.6Very low41.1Very low75 Ų75109.3 Ų109.339%0.39359%0.586SS.*Hα-helixtrans-74.5-34.7174.1-78.9165.7000113L448 A449 E450 E454 S455 L633L448-L452 PolarHBondContact O-N 2.82Å; A449-L452 PolarHBondContact O-N 3.08Å; E450-L452 PolarHBondContact O-N 2.73Å; L452-E454 VanDerWaalsContact C-N 3.3Å; L452-E454 PolarHBondContact O-N 2.63Å; L452-S455 PolarHBondContact O-N 2.9Å; L452-S455 PolarHBondContact O-OG 3.06Å; L452-L633 HydrophobicContact CD1-CD2 4.4Å
453K43.6Very low40.5Very low125 Ų125113.7 Ų113.754%0.54360%0.603SS.*Hα-helixtrans-61.9-37.7170.1-72.4180-174.2165.20112.3A449 E450 S455 Q456A449-K453 PolarHBondContact O-N 3.41Å; A449-K453 VanDerWaalsContact O-N 3.14Å; E450-K453 WeakPolarHBondContact O-CB 3.45Å; E450-K453 PolarHBondContact O-N 2.89Å; E450-K453 VanDerWaalsContact O-N 3.12Å; E450-K453 WeakPolarHBondContact OE1-CD 3.5Å; E450-K453 WeakPolarHBondContact OE1-CE 3.46Å; E450-K453 IonicContact OE1-NZ 2.71Å; E450-K453 PolarHBondContact OE1-NZ 3.43Å; K453-S455 PolarHBondContact O-N 2.68Å; K453-Q456 WeakPolarHBondContact O-CB 3.28Å; K453-Q456 PolarHBondContact O-N 2.9Å
454E36.9Very low40.2Very low114 Ų114114.1 Ų114.153%0.53362%0.615SS.*Hα-helixtrans-58-37.6-179.3-164165.1-133.400111.4E450 K451 L452 Q456E450-E454 PolarHBondContact O-N 3.45Å; K451-E454 IonicContact NZ-OE2 2.67Å; K451-E454 PolarHBondContact NZ-OE2 3.01Å; L452-E454 VanDerWaalsContact C-N 3.3Å; L452-E454 PolarHBondContact O-N 2.63Å; E454-Q456 PolarHBondContact O-N 2.83Å; E454-Q456 VanDerWaalsContact O-N 3.14Å
455S38.4Very low39.4Very low78 Ų78118.2 Ų118.255%0.54563%0.631SS.*THydrogen-bonded Turntrans-70-0175.475.60000116.1L452 K453L452-S455 PolarHBondContact O-N 2.9Å; L452-S455 PolarHBondContact O-OG 3.06Å; K453-S455 PolarHBondContact O-N 2.68Å
456Q37.1Very low38.4Very low158 Ų158124.2 Ų124.274%0.73866%0.655SS**THydrogen-bonded Turntrans-103.72.8-174.5-153.8174.71.800113.9K453 E454K453-Q456 WeakPolarHBondContact O-CB 3.28Å; K453-Q456 PolarHBondContact O-N 2.9Å; E454-Q456 PolarHBondContact O-N 2.83Å; E454-Q456 VanDerWaalsContact O-N 3.14Å
457K36.4Very low37.7Very low161 Ų161126.5 Ų126.570%0.767%0.673SS**  trans-85.5-19.1-173.7-79.7-177.6174.9174.20116.2L459K457-L459 PolarHBondContact O-N 3.43Å; K457-L459 VanDerWaalsContact O-N 3.1Å
458D31.4Very low36.6Very low153 Ų153125.8 Ų125.882%0.81868%0.684SS**SBendtrans-82.616.3-168-63.2-33000115.4
459L39.7Very low35.7Very low172 Ų172129.1 Ų129.190%0.90171%0.712SS**  trans-131.861178.7-74.9175.8000113K457K457-L459 PolarHBondContact O-N 3.43Å; K457-L459 VanDerWaalsContact O-N 3.1Å
460S30.3Very low34.8Very low101 Ų101131.1 Ų131.171%0.70674%0.737SS**  trans-141.791.9165.564.30000112.3
461I35.3Very low34Very low163 Ų163131.3 Ų131.384%0.83676%0.757SS**PPolyproline II helixtrans-85.5122.5170.3-59.4175.1000108.6
462P32.3Very low33.1Very low112 Ų112129 Ų12973%0.72777%0.77SS**PPolyproline II helixtrans-83.8128.8-179.832.1-33000112.1
463L27.5Very low32.4Very low177 Ų177131.2 Ų131.293%0.92779%0.791SS**PPolyproline II helixtrans-93.1140.5165-77.2169.2000110.2
464S31.3Very low32.6Very low114 Ų114131 Ų13180%0.79780%0.803SS**  trans-140.8123.3-176.6-69.10000111.7
465I29.4Very low32.1Very low177 Ų177130.4 Ų130.491%0.90882%0.817SS**  trans-160.1163.5164-140.7169.7000111.4
466K28.8Very low31.6Very low198 Ų198133.2 Ų133.286%0.86183%0.831SS**  -153.690-95.8-177179.8177.3-179.40111.9
467T30.5Very low31.2Very low150 Ų150130.5 Ų130.592%0.9284%0.835SS**  trans-138.9154.4169.755.70000109.8
468G28.2Very low31Very low78 Ų78128.3 Ų128.380%0.80484%0.835SS**  cis177.1123.7-8.400000108.9
469S28.5Very low31.5Very low130 Ų130126.5 Ų126.591%0.90983%0.832SS**  trans-88.8137.7-166.954.40000114.5
470G27.7Very low31Very low82 Ų82123.6 Ų123.685%0.84582%0.821SS**  trans-171.3148.2168.200000111.8
471A31.4Very low30.9Very low112 Ų112128.1 Ų128.193%0.92683%0.831SS**  trans-139.2152-177.200000111.5
472G27.3Very low30.5Very low80 Ų80125.7 Ų125.783%0.82583%0.828SS**  trans137.1117.9168.700000115.5
473S28.4Very low30.3Very low120 Ų120128.2 Ų128.284%0.83983%0.83SS**  trans-97.1-178.1158.2-48.30000108.6
474P47.6Very low30.6Very low122 Ų122125.5 Ų125.579%0.79282%0.823SS**  cis-135.8178.7-3.142.9-26.6000115.2
475A27.2Very low30.5Very low101 Ų101124.6 Ų124.684%0.83582%0.817SS**  trans-161.7160.1153.600000111.5
476V28.1Very low30.7Very low137 Ų137122.3 Ų122.383%0.8381%0.814SS**  trans-142.2145.6-175.3173.80000111.3V478V476-V478 HydrophobicContact CG1-CG2 4.32Å
477A28.1Very low30.9Very low101 Ų101119.4 Ų119.484%0.83581%0.812SS**  trans-151.7150.6162.400000111.8
478V32.5Very low31.4Very low115 Ų115117.6 Ų117.670%0.69780%0.803SS**  trans-146.3154.5-176.9-147.70000109.2V476 T480V476-V478 HydrophobicContact CG1-CG2 4.32Å; V478-T480 HydrophobicContact CG1-CG2 4.15Å
479P42.5Very low31.4Very low115 Ų115119.8 Ų119.875%0.74781%0.807SS**  -146.6133.9100.732.7-14.4000113.6
480T28.4Very low31.5Very low110 Ų110120.6 Ų120.668%0.67580%0.801SS**  57.3112.473.766.50000117.5V478V478-T480 HydrophobicContact CG1-CG2 4.15Å
481H27.9Very low31.6Very low197 Ų197125.7 Ų125.791%0.91280%0.802SS**  trans-156.8174.9142.2-118.2-81.6000111.1
482S26.8Very low31.6Very low111 Ų111126 Ų12678%0.77680%0.797SS**  trans-120.3166-142-520000118.5
483Q28Very low31.8Very low165 Ų165128.2 Ų128.277%0.77180%0.796SS**  trans-41160.4163.5-73.2-67.7-25.500115.4
484P33.7Very low32.2Very low120 Ų120129 Ų12978%0.77979%0.79SS**  cis-147.8-173.346.543.2-21.9000119.4
485S29.6Very low31.4Very low96 Ų96128 Ų12867%0.67178%0.782SS**  trans-69.1175.7-175.6-29.80000116.8
486P33.4Very low31.5Very low129 Ų129125.8 Ų125.884%0.83876%0.764SS**  -127.7176.2115.638.5-34000115.1
487T33.5Very low31.8Very low136 Ų136122.4 Ų122.483%0.83475%0.746SS**  trans-96.3175.1-168.715.40000113.8
488P40.2Very low31.9Very low112 Ų112123.7 Ų123.773%0.72774%0.735SS**  trans-87.5165.7-15535.8-38.8000115.6
489S29Very low31.9Very low125 Ų125126.9 Ų126.987%0.87475%0.746SS**  trans-109.4119.4164.9-60.20000111.1
490N30.4Very low31.4Very low147 Ų147124.8 Ų124.879%0.78675%0.746SS**  trans-86.9121.1178.446.7-84.2000112.2
491E28.8Very low31.4Very low188 Ų188125.5 Ų125.588%0.87976%0.755SS**  trans-148.1126.9152-161.8155-142.100110.7
492S32.8Very low31.6Very low118 Ų118120.5 Ų120.583%0.82575%0.748SS**  trans-118.4124.4-179.1-58.90000108.8
493T31.3Very low31.7Very low128 Ų128124.1 Ų124.179%0.78575%0.75SS**  trans-141.5121.2157.9-430000110.7
494D35.5Very low31.8Very low135 Ų135124.2 Ų124.272%0.72276%0.756SS**  trans-84135.7168.5159.839.1000109.8
495T32.2Very low31.7Very low102 Ų102121.9 Ų121.963%0.62674%0.742SS**  trans-164148.2150.8-0.20000111.9
496A28.8Very low31.9Very low55 Ų55123.7 Ų123.746%0.45575%0.752SS.*  trans-109169.9-170.700000114.8Q702A496-Q702 PolarHBondContact O-NE2 2.88Å; A496-Q702 VanDerWaalsContact O-NE2 3.14Å
497S34.1Very low31.7Very low66 Ų66125.8 Ų125.846%0.46276%0.755SS.*  trans73.9106.7155.8-56.50000119.8Q702S497-Q702 PolarHBondContact O-NE2 3.07Å; S497-Q702 PolarHBondContact O-OE1 3.02Å
498E31.2Very low31.5Very low128 Ų128131.2 Ų131.260%0.59876%0.76SS**  -174.2114.3102-98.7-173.1175.900108.4R699E498-R699 IonicContact OE1-CZ 3.17Å; E498-R699 IonicContact OE1-NE 2.83Å; E498-R699 PolarHBondContact OE1-NE 2.93Å; E498-R699 IonicContact OE1-NH2 2.66Å; E498-R699 PolarHBondContact OE1-NH2 3.06Å
499I32.7Very low30.9Very low182 Ų182131.2 Ų131.293%0.93376%0.763SS**  trans-105.4119.3-176.5-63.6172.4000107.7
500G30.6Very low31.2Very low71 Ų71130.4 Ų130.473%0.73276%0.755SS**  trans-1606.7-16900000117.9
501S29.6Very low31.2Very low125 Ų125130.8 Ų130.887%0.87476%0.755SS**SBendtrans-165.9159.2164.3-89.60000112.7
502A32.1Very low31.3Very low92 Ų92132.2 Ų132.276%0.7675%0.752SS**  trans-55.9151.2-172.600000115.5
503F27.8Very low31.2Very low187 Ų187131.5 Ų131.582%0.8275%0.747SS**  -157.8122.2116.8-130.1-113.4000110.9S505F503-S505 VanDerWaalsContact CD1-OG 3.31Å; F503-S505 WeakPolarHBondContact CD1-OG 3.35Å; F503-S505 WeakPolarHBondContact CE1-OG 3.45Å
504N30.7Very low31.2Very low167 Ų167130 Ų13089%0.89375%0.748SS**  trans-109.5110.1164.9-124.4-18.3000106.5
505S31.4Very low30.8Very low70 Ų70131.4 Ų131.449%0.4976%0.756SS.*  trans-148.5120.7177.9-80.70000109.9F503F503-S505 VanDerWaalsContact CD1-OG 3.31Å; F503-S505 WeakPolarHBondContact CD1-OG 3.35Å; F503-S505 WeakPolarHBondContact CE1-OG 3.45Å
506P33.3Very low31.3Very low135 Ų135131.8 Ų131.888%0.87776%0.76SS**PPolyproline II helixtrans-59.1143.9173.3-25.635.9000112.4
507L30.5Very low31.3Very low173 Ų173136.4 Ų136.491%0.90678%0.783SS**PPolyproline II helixtrans-70.9147-172.1-63.1165.5000112.8
508R28.5Very low31.1Very low249 Ų249144.8 Ų144.894%0.9480%0.804SS**PPolyproline II helixtrans-89.5133.7164.7-90.1-170.9172.5-134.33111.4
509S28.7Very low31.9Very low112 Ų112143.9 Ų143.978%0.78381%0.809SS**PPolyproline II helixtrans-83.5161.2160.9-50.70000111.2
510P34.5Very low31.6Very low108 Ų108140.8 Ų140.870%0.70180%0.804SS**  trans-108.1153.3-159.339-34.3000116.9
511I30.7Very low31.6Very low155 Ų155142.9 Ų142.980%0.79581%0.807SS**  trans69.1137.4143.2-72.1169.6000116.9
512R30.1Very low31.9Very low218 Ų218142.1 Ų142.182%0.82380%0.799SS**  cis-156.9151.62.7-130.7177.6-165-157.84.3112.2
513S32.1Very low31.9Very low103 Ų103143.9 Ų143.972%0.7280%0.8SS**  trans21.3127.2148.559.20000123.3
514A30.4Very low32.2Very low96 Ų96141.1 Ų141.179%0.79380%0.799SS**  170.5113.3105.300000116.3
515N26.9Very low32.3Very low166 Ų166135.7 Ų135.789%0.88877%0.774SS**  trans51.3163.5151.7-88.218000123.1
516P43.3Very low32.4Very low109 Ų109138.1 Ų138.171%0.70878%0.777SS**  trans-115.4158-145.941.4-35.2000118.1
517T28.1Very low32.6Very low153 Ų153139 Ų13994%0.93977%0.773SS**  trans-147167.8160140000111.7
518R31Very low32.7Very low241 Ų241135.1 Ų135.191%0.90976%0.761SS**  trans-87-178.7-171.2-126.2-159.3165-155.50.3112.4
519P46.6Very low33.1Very low110 Ų110127.3 Ų127.371%0.71473%0.734SS**  -117.7160.7-126.439.3-23.1000115.7
520S27Very low33.5Very low116 Ų116128.1 Ų128.181%0.81173%0.733SS**  trans-157.8134.5168.149.10000114.5
521S31Very low33.6Very low116 Ų116129.7 Ų129.781%0.81174%0.735SS**  trans58.3145.7164.9-99.70000121.4
522P35.7Very low34.2Very low109 Ų109129.7 Ų129.771%0.70873%0.73SS**  trans-88.6135.2177.734.6-33000113
523V30.9Very low34.2Very low128 Ų128122.4 Ų122.478%0.77672%0.722SS**  trans-112.682.5170.4-177.40000109.7
524T35.8Very low34.6Very low129 Ų129122.9 Ų122.979%0.79171%0.713SS**  trans-14075.8179.752.70000111.3
525S32Very low34.8Very low53 Ų53125.1 Ų125.137%0.37171%0.712SS.*  trans-155.9-4.916774.30000117.4K529S525-K529 WeakPolarHBondContact O-CD 3.45Å; S525-K529 WeakPolarHBondContact O-CG 3.32Å; S525-K529 PolarHBondContact OG-NZ 3.05Å
526H33.4Very low35.6Very low121 Ų121122.4 Ų122.456%0.5670%0.697SS**SBendtrans-88.9-17.3-164.6-71.2-68.7000116.7
527I37.5Very low35.5Very low154 Ų154121 Ų12179%0.7969%0.69SS**SBendtrans-78.4-37.6-179.2-61.6178.9000111.4K529I527-K529 VanDerWaalsContact C-N 3.25Å; I527-K529 PolarHBondContact O-N 3.45Å
528S32.6Very low36.1Very low92 Ų92119.5 Ų119.564%0.64368%0.675SS**THydrogen-bonded Turntrans-71.5-15.8176.3-46.50000114.2
529K37.8Very low37Very low85 Ų85113.1 Ų113.137%0.3766%0.659SS.*THydrogen-bonded Turntrans-84.4-17.3-178.4-74.3173.5178.1170.40114.4S525 I527 F532 E534S525-K529 WeakPolarHBondContact O-CD 3.45Å; S525-K529 WeakPolarHBondContact O-CG 3.32Å; S525-K529 PolarHBondContact OG-NZ 3.05Å; I527-K529 VanDerWaalsContact C-N 3.25Å; I527-K529 PolarHBondContact O-N 3.45Å; K529-F532 VanDerWaalsContact O-O 3.12Å; K529-E534 HydrophobicContact CB-CG 4.5Å
530V36.7Very low37.3Very low128 Ų128113.9 Ų113.978%0.77665%0.647SS**SBendtrans-88.4-9.3-177.3-178.80000112.2
531L36.6Very low38.4Very low142 Ų142112 Ų11274%0.74363%0.631SS**SBendtrans-105.2-12179-68.1173.8000114.3
532F42.9Very low39.3Very low155 Ų155109.7 Ų109.768%0.6861%0.609SS**SBendtrans-131.7122.9177.4-58.5-76.5000108.6K529 E534K529-F532 VanDerWaalsContact O-O 3.12Å; F532-E534 PolarHBondContact O-N 2.94Å
533G30.7Very low40.1Very low64 Ų64106.6 Ų106.666%0.6659%0.59SS**  trans-57.9131.3-16600000114.5D535G533-D535 VanDerWaalsContact C-N 3.34Å; G533-D535 PolarHBondContact O-N 3.35Å
534E39Very low41.5Very low114 Ų114104.2 Ų104.253%0.53357%0.572SS.*Hα-helixtrans-74.5-20.1-173.1-63.5-166.5113.100113.9K529 F532 D536 S537K529-E534 HydrophobicContact CB-CG 4.5Å; F532-E534 PolarHBondContact O-N 2.94Å; E534-D536 PolarHBondContact O-N 2.8Å; E534-S537 PolarHBondContact O-N 2.87Å
535D35.8Very low42.6Very low143 Ų143105.6 Ų105.677%0.76556%0.563SS**Hα-helixtrans-62.1-44.1-171.3-64.8-50.6000114.2G533G533-D535 VanDerWaalsContact C-N 3.34Å; G533-D535 PolarHBondContact O-N 3.35Å
536D42.3Very low44.1Very low109 Ų109111.9 Ų111.958%0.58358%0.58SS**Hα-helixtrans-79.7-26.3-174.8-121.2-7.8000112.8E534 L538 L539 R540E534-D536 PolarHBondContact O-N 2.8Å; D536-L538 PolarHBondContact O-N 2.74Å; D536-L539 PolarHBondContact O-N 2.78Å; D536-R540 PolarHBondContact O-N 2.7Å; D536-R540 VanDerWaalsContact O-N 3.14Å
537S42.6Very low46.6Very low80 Ų80107.3 Ų107.356%0.55956%0.559SS**Hα-helixtrans-68.1-35.9-178.3-71.30000112.4E534 V541E534-S537 PolarHBondContact O-N 2.87Å; S537-V541 WeakPolarHBondContact O-CG2 3.41Å; S537-V541 PolarHBondContact O-N 2.94Å
538L40.9Very low49Very low120 Ų120102.4 Ų102.463%0.62853%0.531SS*.Hα-helixtrans-67.8-45175.5-72.9168.1000111.4D536 R540 V541 D542D536-L538 PolarHBondContact O-N 2.74Å; L538-R540 VanDerWaalsContact C-N 3.29Å; L538-R540 PolarHBondContact O-N 2.96Å; L538-V541 PolarHBondContact O-N 3.26Å; L538-D542 PolarHBondContact O-N 3.45Å
539L49.6Very low51.5Low107 Ų10798 Ų9856%0.5650%0.5SS*.Hα-helixtrans-57.4-41.9177.4-65.3176.7000112D536 D542 C543D536-L539 PolarHBondContact O-N 2.78Å; L539-D542 PolarHBondContact O-N 2.8Å; L539-C543 WeakPolarHBondContact O-CB 3.4Å; L539-C543 PolarHBondContact O-N 3.4Å; L539-C543 PolarHBondContact O-SG 2.79Å
540R51.8Low53.8Low126 Ų12694.1 Ų94.148%0.47548%0.484SS..Hα-helixtrans-65.5-42.7177.9-167.3172.8177.2-147.41.6112.3D536 L538 C543 I544 E642D536-R540 PolarHBondContact O-N 2.7Å; D536-R540 VanDerWaalsContact O-N 3.14Å; L538-R540 VanDerWaalsContact C-N 3.29Å; L538-R540 PolarHBondContact O-N 2.96Å; R540-C543 PolarHBondContact O-N 3.28Å; R540-I544 HydrophobicContact CG-CD1 4.23Å; R540-I544 WeakPolarHBondContact O-CD1 3.43Å; R540-I544 VanDerWaalsContact O-CG1 3.28Å; R540-I544 WeakPolarHBondContact O-CG1 3.43Å; R540-I544 PolarHBondContact O-N 2.99Å; R540-I544 VanDerWaalsContact O-N 3.11Å; R540-E642 IonicContact CZ-OE1 2.71Å; R540-E642 IonicContact NE-OE1 2.82Å; R540-E642 IonicContact NH2-OE1 2.95Å; R540-E642 PolarHBondContact NH2-OE1 3.44Å
541V51.6Low56.2Low77 Ų7794.3 Ų94.347%0.46747%0.47SS..Hα-helixtrans-66.1-38177.9170.90000112.1S537 L538 R545S537-V541 WeakPolarHBondContact O-CG2 3.41Å; S537-V541 PolarHBondContact O-N 2.94Å; L538-V541 PolarHBondContact O-N 3.26Å; V541-R545 WeakPolarHBondContact O-CG 3.47Å; V541-R545 PolarHBondContact O-N 3.34Å
542D48.8Very low58.6Low67 Ų6789.7 Ų89.736%0.35845%0.446SS..Hα-helixtrans-75.3-36.1177-75.4-28.5000112.9L538 L539 I544 R545 Y546L538-D542 PolarHBondContact O-N 3.45Å; L539-D542 PolarHBondContact O-N 2.8Å; D542-I544 VanDerWaalsContact C-N 3.34Å; D542-I544 PolarHBondContact O-N 2.95Å; D542-R545 PolarHBondContact O-N 3.23Å; D542-R545 IonicContact OD1-CZ 2.67Å; D542-R545 IonicContact OD1-NE 3.78Å; D542-R545 PolarHBondContact OD1-NE 2.97Å; D542-R545 IonicContact OD1-NH2 2.99Å; D542-R545 PolarHBondContact OD1-NH2 3.49Å; D542-Y546 HydrophobicContact CB-CD2 4.47Å; D542-Y546 VanDerWaalsContact O-CD2 3.29Å; D542-Y546 WeakPolarHBondContact O-CD2 3.49Å; D542-Y546 PolarHBondContact O-N 3.34Å; D542-Y546 VanDerWaalsContact O-N 3.12Å
543C53.8Low60.7Low44 Ų4482.4 Ų82.430%0.29742%0.415SS..Hα-helixtrans-60.7-41.9172.4-70.60000112.1L539 R540 R545 Y546 N547 V550L539-C543 WeakPolarHBondContact O-CB 3.4Å; L539-C543 PolarHBondContact O-N 3.4Å; L539-C543 PolarHBondContact O-SG 2.79Å; R540-C543 PolarHBondContact O-N 3.28Å; C543-R545 VanDerWaalsContact C-N 3.28Å; C543-R545 PolarHBondContact O-N 3.05Å; C543-Y546 PolarHBondContact O-N 2.9Å; C543-N547 WeakPolarHBondContact O-CB 3.29Å; C543-N547 PolarHBondContact O-N 2.89Å; C543-N547 VanDerWaalsContact O-N 3.09Å; C543-V550 HydrophobicContact CB-CG1 4.23Å; C543-V550 HydrophobicContact CB-CG2 4.42Å
544I59.8Low63.3Low79 Ų7980 Ų8041%0.40539%0.39SS..Hα-helixtrans-63.1-32.5176.7-69.5163.6000112.1R540 D542 V550R540-I544 HydrophobicContact CG-CD1 4.23Å; R540-I544 WeakPolarHBondContact O-CD1 3.43Å; R540-I544 VanDerWaalsContact O-CG1 3.28Å; R540-I544 WeakPolarHBondContact O-CG1 3.43Å; R540-I544 PolarHBondContact O-N 2.99Å; R540-I544 VanDerWaalsContact O-N 3.11Å; D542-I544 VanDerWaalsContact C-N 3.34Å; D542-I544 PolarHBondContact O-N 2.95Å; I544-V550 HydrophobicContact CG1-CG1 3.77Å
545R59.5Low65.6Low157 Ų15779.3 Ų79.359%0.59240%0.395SS*.Hα-helixtrans-80.4-30.9-179.1-72.2-169.1-69.7-171.2-1.4114.3V541 D542 C543V541-R545 WeakPolarHBondContact O-CG 3.47Å; V541-R545 PolarHBondContact O-N 3.34Å; D542-R545 PolarHBondContact O-N 3.23Å; D542-R545 IonicContact OD1-CZ 2.67Å; D542-R545 IonicContact OD1-NE 3.78Å; D542-R545 PolarHBondContact OD1-NE 2.97Å; D542-R545 IonicContact OD1-NH2 2.99Å; D542-R545 PolarHBondContact OD1-NH2 3.49Å; C543-R545 VanDerWaalsContact C-N 3.28Å; C543-R545 PolarHBondContact O-N 3.05Å
546Y63.3Low68Low186 Ų18674.8 Ų74.873%0.72937%0.372SS*.Hα-helixtrans-117.21.5-169.5-61.4-66.1000115.5D542 C543D542-Y546 HydrophobicContact CB-CD2 4.47Å; D542-Y546 VanDerWaalsContact O-CD2 3.29Å; D542-Y546 WeakPolarHBondContact O-CD2 3.49Å; D542-Y546 PolarHBondContact O-N 3.34Å; D542-Y546 VanDerWaalsContact O-N 3.12Å; C543-Y546 PolarHBondContact O-N 2.9Å
547N85.7Confident70.2Confident24 Ų2469.6 Ų69.613%0.12835%0.345CS..  trans-126.1120.9-175.7-159.9-77.2000112.6C543 A549 V550 R551 E631 A634C543-N547 WeakPolarHBondContact O-CB 3.29Å; C543-N547 PolarHBondContact O-N 2.89Å; C543-N547 VanDerWaalsContact O-N 3.09Å; N547-A549 PolarHBondContact O-N 3.09Å; N547-A549 PolarHBondContact OD1-N 3.4Å; N547-V550 HydrophobicContact CB-CB 4.07Å; N547-V550 HydrophobicContact CB-CG2 3.94Å; N547-V550 PolarHBondContact O-N 2.69Å; N547-V550 PolarHBondContact OD1-N 2.75Å; N547-R551 WeakPolarHBondContact O-CB 3.17Å; N547-R551 PolarHBondContact O-N 3.32Å; N547-E631 WeakPolarHBondContact OD1-CA 3.17Å; N547-E631 WeakPolarHBondContact OD1-CB 3.41Å; N547-E631 PolarHBondContact OD1-O 3.34Å; N547-A634 VanDerWaalsContact ND2-CB 3.29Å; N547-A634 WeakPolarHBondContact ND2-CB 3.31Å
548R87.8Confident72.2Confident52 Ų5266.4 Ų66.420%0.19632%0.322CS..Hα-helixtrans-57.4-51-176.9-166.8-176.4-177.3-97.66.5111.4V550 R551 D552 E625 Y627 E631R548-V550 PolarHBondContact O-N 3.47Å; R548-R551 PolarHBondContact O-N 2.96Å; R548-D552 WeakPolarHBondContact CG-OD2 3.2Å; R548-D552 VanDerWaalsContact O-CB 3.23Å; R548-D552 WeakPolarHBondContact O-CB 3.43Å; R548-D552 PolarHBondContact O-N 3.01Å; R548-E625 IonicContact CZ-OE2 2.75Å; R548-E625 IonicContact NE-OE2 3.81Å; R548-E625 PolarHBondContact NH1-O 3.38Å; R548-E625 IonicContact NH2-OE2 3.95Å; R548-E625 PolarHBondContact NH2-OE2 2.91Å; R548-Y627 HydrophobicContact CB-CD1 4.38Å; R548-Y627 HydrophobicContact CB-CE1 4.42Å; R548-Y627 HydrophobicContact CG-CD1 4.29Å; R548-Y627 HydrophobicContact CG-CE1 4Å; R548-E631 WeakPolarHBondContact CB-OE1 3.49Å
549A84.5Confident74.4Confident0 Ų064.1 Ų64.10%031%0.313CS..Hα-helixtrans-62.8-43.3-17800000112.6N547 L553 Y627 E631 L632 L635N547-A549 PolarHBondContact O-N 3.09Å; N547-A549 PolarHBondContact OD1-N 3.4Å; A549-L553 WeakPolarHBondContact O-CB 3.5Å; A549-L553 PolarHBondContact O-N 2.69Å; A549-Y627 HydrophobicContact CB-CD1 3.62Å; A549-Y627 HydrophobicContact CB-CE1 3.94Å; A549-Y627 HydrophobicContact CB-CG 4.01Å; A549-E631 HydrophobicContact CB-CB 3.85Å; A549-L632 HydrophobicContact CB-CD2 4.49Å; A549-L635 HydrophobicContact CB-CB 4.13Å; A549-L635 HydrophobicContact CB-CD2 4.26Å
550V86.9Confident76.2Confident3 Ų359.5 Ų59.52%0.01829%0.292CS..Hα-helixtrans-66.6-39.9178.5-177.70000111.4C543 I544 N547 R548 G554 A634 L635C543-V550 HydrophobicContact CB-CG1 4.23Å; C543-V550 HydrophobicContact CB-CG2 4.42Å; I544-V550 HydrophobicContact CG1-CG1 3.77Å; N547-V550 HydrophobicContact CB-CB 4.07Å; N547-V550 HydrophobicContact CB-CG2 3.94Å; N547-V550 PolarHBondContact O-N 2.69Å; N547-V550 PolarHBondContact OD1-N 2.75Å; R548-V550 PolarHBondContact O-N 3.47Å; V550-G554 WeakPolarHBondContact O-CA 3.24Å; V550-G554 PolarHBondContact O-N 3.4Å; V550-A634 HydrophobicContact CG2-CB 3.92Å; V550-L635 HydrophobicContact CG2-CB 4.48Å; V550-L635 HydrophobicContact CG2-CD1 4.5Å
551R87.3Confident78Confident131 Ų13156.4 Ų56.449%0.49428%0.284SS..Hα-helixtrans-68.9-43.3177.6-172.6-16765.2-148.1-9.4112.4N547 R548 P555N547-R551 WeakPolarHBondContact O-CB 3.17Å; N547-R551 PolarHBondContact O-N 3.32Å; R548-R551 PolarHBondContact O-N 2.96Å; R551-P555 VanDerWaalsContact O-CD 3.29Å; R551-P555 WeakPolarHBondContact O-CD 3.4Å
552D86.6Confident79.9Confident46 Ų4653.2 Ų53.225%0.24627%0.265CS..Hα-helixtrans-87.2-31.6-169.2-58.9-11.1000112.2R548R548-D552 WeakPolarHBondContact CG-OD2 3.2Å; R548-D552 VanDerWaalsContact O-CB 3.23Å; R548-D552 WeakPolarHBondContact O-CB 3.43Å; R548-D552 PolarHBondContact O-N 3.01Å
553L87.2Confident81.7Confident2 Ų254.3 Ų54.31%0.0127%0.267CS..Hα-helixtrans-108.5-26.7179.3-57.1179.7000113.8A549 V556 I557 L562 L570 P572 Y627 L635A549-L553 WeakPolarHBondContact O-CB 3.5Å; A549-L553 PolarHBondContact O-N 2.69Å; L553-V556 WeakPolarHBondContact O-CG2 3.41Å; L553-V556 PolarHBondContact O-N 2.94Å; L553-V556 VanDerWaalsContact O-N 3.1Å; L553-I557 WeakPolarHBondContact O-CB 3.19Å; L553-I557 PolarHBondContact O-N 3.05Å; L553-L562 HydrophobicContact CB-CD2 4.42Å; L553-L562 HydrophobicContact CD1-CD2 4.26Å; L553-L562 HydrophobicContact CD2-CD2 4.12Å; L553-L570 HydrophobicContact CD1-CB 4.24Å; L553-P572 HydrophobicContact CD2-CG 3.67Å; L553-Y627 HydrophobicContact CD1-CE2 3.84Å; L553-Y627 HydrophobicContact CG-CE2 4.49Å; L553-L635 HydrophobicContact CB-CD1 4.21Å; L553-L635 HydrophobicContact CB-CD2 4.2Å; L553-L635 HydrophobicContact CD1-CD2 3.75Å
554G84.6Confident83.4Confident13 Ų1353.5 Ų53.513%0.13426%0.26CS..G310 helixtrans-54.8-44.4-17700000115.2V550 V556 I557V550-G554 WeakPolarHBondContact O-CA 3.24Å; V550-G554 PolarHBondContact O-N 3.4Å; G554-V556 PolarHBondContact O-N 2.91Å; G554-V556 VanDerWaalsContact O-N 3.12Å; G554-I557 WeakPolarHBondContact O-CG2 3.46Å; G554-I557 PolarHBondContact O-N 3.38Å
555P86.5Confident84.5Confident99 Ų9951.1 Ų51.164%0.64325%0.252SS*.G310 helixtrans-60.4-22.9178.3-26.135.8000114.7R551R551-P555 VanDerWaalsContact O-CD 3.29Å; R551-P555 WeakPolarHBondContact O-CD 3.4Å
556V87.3Confident85.3Confident48 Ų4853.4 Ų53.429%0.29127%0.269SS..G310 helixtrans-106.1-7.9179.9-64.70000113.9L553 G554 S558 T559 G560 P572L553-V556 WeakPolarHBondContact O-CG2 3.41Å; L553-V556 PolarHBondContact O-N 2.94Å; L553-V556 VanDerWaalsContact O-N 3.1Å; G554-V556 PolarHBondContact O-N 2.91Å; G554-V556 VanDerWaalsContact O-N 3.12Å; V556-S558 PolarHBondContact O-N 2.94Å; V556-S558 VanDerWaalsContact O-N 3.15Å; V556-T559 WeakPolarHBondContact CA-OG1 3.34Å; V556-T559 PolarHBondContact O-N 2.81Å; V556-T559 PolarHBondContact O-OG1 2.86Å; V556-T559 VanDerWaalsContact O-OG1 3.09Å; V556-G560 PolarHBondContact O-N 3.39Å; V556-P572 HydrophobicContact CG2-CB 4.03Å; V556-P572 HydrophobicContact CG2-CG 3.9Å
557I87.6Confident85.7Confident1 Ų148.8 Ų48.81%0.00526%0.257CS..THydrogen-bonded Turntrans-72.1-14.5-167.3-149153.2000114.7L248 N251 L553 G554 L562 L635 V639L248-I557 HydrophobicContact CD2-CG2 4.23Å; L248-I557 WeakPolarHBondContact CD2-O 3.37Å; N251-I557 HydrophobicContact CB-CG1 4.01Å; N251-I557 PolarHBondContact ND2-O 3.29Å; L553-I557 WeakPolarHBondContact O-CB 3.19Å; L553-I557 PolarHBondContact O-N 3.05Å; G554-I557 WeakPolarHBondContact O-CG2 3.46Å; G554-I557 PolarHBondContact O-N 3.38Å; I557-L562 HydrophobicContact CD1-CD1 3.76Å; I557-L562 HydrophobicContact CG1-CD1 4.07Å; I557-L562 HydrophobicContact CG1-CG 4.48Å; I557-L635 HydrophobicContact CD1-CD1 3.52Å; I557-L635 HydrophobicContact CD1-CD2 3.89Å; I557-L635 HydrophobicContact CD1-CG 3.67Å; I557-V639 HydrophobicContact CD1-CG2 3.23Å; I557-V639 HydrophobicContact CG1-CG2 3.67Å; I557-V639 HydrophobicContact CG2-CG2 4.24Å
558S85Confident85Confident13 Ų1348.6 Ų48.69%0.09126%0.261CS..THydrogen-bonded Turntrans-108.62.7168.758.40000113.8R244 V556 E642R244-S558 WeakPolarHBondContact CD-O 3.39Å; R244-S558 PolarHBondContact NE-O 3.03Å; R244-S558 PolarHBondContact NH1-O 2.66Å; V556-S558 PolarHBondContact O-N 2.94Å; V556-S558 VanDerWaalsContact O-N 3.15Å; S558-E642 WeakPolarHBondContact CB-OE2 3.32Å; S558-E642 PolarHBondContact OG-OE2 3.41Å
559T86.3Confident84.7Confident71 Ų7147 Ų4744%0.43626%0.257SS..THydrogen-bonded Turntrans-110.2-45.2175.950.70000113.1V556V556-T559 WeakPolarHBondContact CA-OG1 3.34Å; V556-T559 PolarHBondContact O-N 2.81Å; V556-T559 PolarHBondContact O-OG1 2.86Å; V556-T559 VanDerWaalsContact O-OG1 3.09Å
560G88.3Confident84.7Confident11 Ų1147.3 Ų47.311%0.11326%0.259CS..SBendtrans-115.2161.2-176.700000112.4V247 N251 V556V247-G560 WeakPolarHBondContact CG1-O 3.3Å; N251-G560 PolarHBondContact ND2-O 2.72Å; V556-G560 PolarHBondContact O-N 3.39Å
561L90.4Very high84.5Confident60 Ų6049.3 Ų49.331%0.31427%0.273SS..  trans-80.6144.6172.8-66.7172.8000110.4V247 V250 N251 L573V247-L561 HydrophobicContact CG1-CD2 4.29Å; V247-L561 HydrophobicContact CG2-CD2 4.37Å; V250-L561 HydrophobicContact CB-CD2 3.98Å; V250-L561 HydrophobicContact CG1-CD2 3.85Å; N251-L561 WeakPolarHBondContact OD1-CA 3.38Å; L561-L573 HydrophobicContact CB-CB 4.47Å; L561-L573 VanDerWaalsContact O-CB 3.28Å; L561-L573 WeakPolarHBondContact O-CB 3.41Å; L561-L573 PolarHBondContact O-N 3.21Å
562L90Very high84.4Confident11 Ų1146 Ų466%0.05827%0.268CS..EExtended strand (participates in β ladder)trans-85.3141.3167.9-64.1-178.7000110.1N251 T254 V255 L553 I557 L570N251-L562 HydrophobicContact CB-CD1 4.17Å; N251-L562 HydrophobicContact CB-CG 4.25Å; N251-L562 PolarHBondContact OD1-N 3.08Å; T254-L562 HydrophobicContact CG2-CB 4.13Å; V255-L562 HydrophobicContact CG2-CD1 3.74Å; L553-L562 HydrophobicContact CB-CD2 4.42Å; L553-L562 HydrophobicContact CD1-CD2 4.26Å; L553-L562 HydrophobicContact CD2-CD2 4.12Å; I557-L562 HydrophobicContact CD1-CD1 3.76Å; I557-L562 HydrophobicContact CG1-CD1 4.07Å; I557-L562 HydrophobicContact CG1-CG 4.48Å; L562-L570 HydrophobicContact CB-CD2 4.5Å
563H88.4Confident84Confident89 Ų8947.7 Ų47.741%0.41228%0.277SS..EExtended strand (participates in β ladder)trans-110.1134.1171.2-177.7-87.8000109.5L570 S571 L573H563-L570 WeakPolarHBondContact O-CA 3.46Å; H563-S571 PolarHBondContact N-O 3.49Å; H563-S571 PolarHBondContact O-N 3Å; H563-L573 HydrophobicContact CB-CB 4.47Å; H563-L573 HydrophobicContact CB-CD1 4.23Å
564L88.8Confident82.5Confident28 Ų2851.7 Ų51.715%0.14731%0.31CS..EExtended strand (participates in β ladder)trans-106.6110.2171.7178.155.3000108.2T254 E257 A258 L570T254-L564 HydrophobicContact CG2-CB 3.78Å; E257-L564 HydrophobicContact CB-CD2 3.83Å; A258-L564 HydrophobicContact CB-CD1 3.84Å; A258-L564 HydrophobicContact CB-CD2 4.02Å; L564-L570 HydrophobicContact CB-CD2 3.97Å; L564-L570 HydrophobicContact CD1-CD2 4.1Å; L564-L570 HydrophobicContact CD1-CG 4.15Å
565A83.5Confident80.5Confident28 Ų2856.6 Ų56.623%0.23133%0.333CS..  trans-74.6160.5177.200000111.8D567 G568 V569A565-D567 VanDerWaalsContact CB-OD1 3.27Å; A565-D567 WeakPolarHBondContact CB-OD1 3.38Å; A565-D567 PolarHBondContact O-N 3.5Å; A565-D567 VanDerWaalsContact O-N 3.17Å; A565-G568 WeakPolarHBondContact O-CA 3.29Å; A565-G568 PolarHBondContact O-N 2.98Å; A565-V569 PolarHBondContact N-O 3.07Å
566E75.4Confident77.8Confident205 Ų20558.2 Ų58.296%0.95834%0.341SS*.THydrogen-bonded Turntrans-62.5-21.7-178.2-61.7-172.5156.500113.6G568E566-G568 VanDerWaalsContact C-N 3.27Å
567D70.9Confident75.2Confident90 Ų9065.5 Ų65.548%0.48137%0.372SS..THydrogen-bonded Turntrans-77.8-9.1172.567.9-4.9000113.2A565 V569 K626A565-D567 VanDerWaalsContact CB-OD1 3.27Å; A565-D567 WeakPolarHBondContact CB-OD1 3.38Å; A565-D567 PolarHBondContact O-N 3.5Å; A565-D567 VanDerWaalsContact O-N 3.17Å; D567-V569 WeakPolarHBondContact OD1-CB 3.35Å; D567-V569 WeakPolarHBondContact OD1-CG2 3.4Å; D567-V569 PolarHBondContact OD1-N 3.37Å; D567-V569 WeakPolarHBondContact OD2-CG2 3.49Å; D567-K626 WeakPolarHBondContact O-CE 3.44Å; D567-K626 PolarHBondContact O-NZ 3.39Å
568G71.4Confident72.3Confident20 Ų2068.7 Ų68.721%0.20641%0.405CS..SBendtrans87.614-176.600000114.8A565 E566A565-G568 WeakPolarHBondContact O-CA 3.29Å; A565-G568 PolarHBondContact O-N 2.98Å; E566-G568 VanDerWaalsContact C-N 3.27Å
569V81.5Confident69.5Low18 Ų1871.7 Ų71.711%0.10944%0.438CS..  trans-82.2129171.8177.60000110.2A565 D567 G624 K626A565-V569 PolarHBondContact N-O 3.07Å; D567-V569 WeakPolarHBondContact OD1-CB 3.35Å; D567-V569 WeakPolarHBondContact OD1-CG2 3.4Å; D567-V569 PolarHBondContact OD1-N 3.37Å; D567-V569 WeakPolarHBondContact OD2-CG2 3.49Å; V569-G624 VanDerWaalsContact CG2-O 3.31Å; V569-G624 WeakPolarHBondContact CG2-O 2.9Å; V569-K626 HydrophobicContact CG2-CG 3.96Å
570L84.6Confident66.7Low6 Ų678.6 Ų78.63%0.03146%0.462CS..EExtended strand (participates in β ladder)trans-90129.4168.6-81170.9000110.5T254 V255 A258 L553 L562 H563 L564 Y627 L632T254-L570 HydrophobicContact CG2-CD2 3.72Å; V255-L570 HydrophobicContact CG2-CD1 4.26Å; A258-L570 HydrophobicContact CB-CD1 3.5Å; A258-L570 HydrophobicContact CB-CD2 4.15Å; A258-L570 HydrophobicContact CB-CG 3.76Å; L553-L570 HydrophobicContact CD1-CB 4.24Å; L562-L570 HydrophobicContact CB-CD2 4.5Å; H563-L570 WeakPolarHBondContact O-CA 3.46Å; L564-L570 HydrophobicContact CB-CD2 3.97Å; L564-L570 HydrophobicContact CD1-CD2 4.1Å; L564-L570 HydrophobicContact CD1-CG 4.15Å; L570-Y627 HydrophobicContact CB-CD2 4.28Å; L570-Y627 HydrophobicContact CB-CE2 4.13Å; L570-L632 HydrophobicContact CD1-CD1 4.39Å; L570-L632 HydrophobicContact CD1-CD2 3.56Å
571S83.8Confident63.7Low46 Ų4681.2 Ų81.232%0.32249%0.489SS..EExtended strand (participates in β ladder)trans-136.2155.1174.157.10000111.4H563 L573H563-S571 PolarHBondContact N-O 3.49Å; H563-S571 PolarHBondContact O-N 3Å; S571-L573 PolarHBondContact O-N 3.46Å
572P84Confident60.7Low60 Ų6084.5 Ų84.539%0.3952%0.517SS..EExtended strand (participates in β ladder)trans-66.2130.7165.9-14.830.3000109.4L553 V556 A574L553-P572 HydrophobicContact CD2-CG 3.67Å; V556-P572 HydrophobicContact CG2-CB 4.03Å; V556-P572 HydrophobicContact CG2-CG 3.9Å; P572-A574 PolarHBondContact O-N 3.02Å
573L79.3Confident57.6Low82 Ų8289 Ų8943%0.42955%0.55SS..  trans-69.7115.1167.8-168.575.5000108L561 H563 S571 L575L561-L573 HydrophobicContact CB-CB 4.47Å; L561-L573 VanDerWaalsContact O-CB 3.28Å; L561-L573 WeakPolarHBondContact O-CB 3.41Å; L561-L573 PolarHBondContact O-N 3.21Å; H563-L573 HydrophobicContact CB-CB 4.47Å; H563-L573 HydrophobicContact CB-CD1 4.23Å; S571-L573 PolarHBondContact O-N 3.46Å; L573-L575 PolarHBondContact O-N 2.88Å
574A54.3Low54.6Low86 Ų8691.2 Ų91.271%0.71157%0.572SS**  trans-68.693.4-178.500000111P572 T576P572-A574 PolarHBondContact O-N 3.02Å; A574-T576 PolarHBondContact O-N 3.29Å
575L44.2Very low51.5Low116 Ų11695.5 Ų95.561%0.60760%0.604SS**  trans-65.1104.8167.7-71.7173.5000108.9L573 E577L573-L575 PolarHBondContact O-N 2.88Å; L575-E577 PolarHBondContact O-N 2.82Å
576T29.8Very low48.9Very low133 Ų133101.6 Ų101.682%0.81663%0.631SS**  trans-74.188.5175.653.90000110A574 G578A574-T576 PolarHBondContact O-N 3.29Å; T576-G578 PolarHBondContact O-N 2.94Å
577E32.3Very low46.4Very low202 Ų202102.8 Ų102.894%0.94463%0.627SS**  trans-67.683.5164.3-72.3-155.5140.800109.8L575L575-E577 PolarHBondContact O-N 2.82Å
578G25.8Very low44.2Very low68 Ų68104.2 Ų104.270%0.70164%0.641SS**  trans-129.167.7-177.100000111.4T576 K580T576-G578 PolarHBondContact O-N 2.94Å; G578-K580 PolarHBondContact O-N 2.93Å
579G25.7Very low42Very low76 Ų76110.8 Ų110.878%0.78467%0.67SS**  trans-76.1100.8-176.400000113.8
580K29Very low39.5Very low215 Ų215119.1 Ų119.194%0.93571%0.708SS**  trans172130.9140.3-96.7157.4-175.3176.50113.1G578G578-K580 PolarHBondContact O-N 2.93Å
581G25.2Very low36.7Very low67 Ų67122.6 Ų122.669%0.69175%0.745SS**  trans116.1126.4140.100000119.1
582S26Very low33.9Very low128 Ų128125.5 Ų125.590%0.89577%0.765SS**  trans71.9130.9158.971.70000120.1
583S25.5Very low31.2Very low106 Ų106131.9 Ų131.974%0.74179%0.79SS**  trans-80.9154.8166.2-48.40000111S585S583-S585 PolarHBondContact O-N 3.02Å
584P26Very low28.6Very low135 Ų135131.1 Ų131.188%0.87780%0.802SS**  trans-7298.2175.829.7-34.3000111.1
585S23.9Very low27.3Very low118 Ų118132.8 Ų132.883%0.82581%0.808SS**PPolyproline II helixtrans-87148.2170.4-165.30000111.7S583S583-S585 PolarHBondContact O-N 3.02Å
586I28Very low26.5Very low156 Ų156132.4 Ų132.480%0.882%0.816SS**PPolyproline II helixtrans-75.2136.5-171.3-63.1167000110.8
587R23.8Very low26.2Very low230 Ų230131.2 Ų131.287%0.86881%0.813SS**PPolyproline II helixtrans-88.8130.2168.5-71.1-170.5-178.3-167.51.9111.9
588P25Very low26.6Very low120 Ų120126.9 Ų126.978%0.77980%0.802SS**  trans-79.9175.6149.2-11.829.9000111.6
589I24.4Very low26.6Very low158 Ų158129.1 Ų129.181%0.8180%0.802SS**  trans-121.4165.2-175.4-62.1170.2000109.3
590Q28.7Very low26.8Very low194 Ų194134.1 Ų134.191%0.90780%0.804SS**  trans87.2149.3-178.8-50.9177.4-1.200113.9
591G25.5Very low26.7Very low79 Ų79132.7 Ų132.781%0.81480%0.798SS**  cis-140.4-172.15.900000114.2
592S25.2Very low26.7Very low106 Ų106138.7 Ų138.774%0.74181%0.809SS**  trans-103.4175.4-163.653.20000115.6
593Q28Very low26.7Very low194 Ų194138.5 Ų138.591%0.90780%0.802SS**  trans78.4145.3171.2-45.1-174.923.800115.9
594G25Very low26.9Very low67 Ų67140.7 Ų140.769%0.69180%0.802SS**  cis162.2152.9-8.800000112.9
595S25.5Very low26.9Very low120 Ų120142.5 Ų142.584%0.83980%0.799SS**  trans67.6153178.7-146.20000114.9
596S27.6Very low27.1Very low109 Ų109141.2 Ų141.276%0.76280%0.796SS**  cis-151.5159.6-5.9-0.90000110
597S24.3Very low27.1Very low108 Ų108140.9 Ų140.976%0.75580%0.801SS**  trans-92.6-171.6166.262.40000110.1
598P40.6Very low27.2Very low110 Ų110137 Ų13771%0.71480%0.798SS**  cis-140.3-146.57.640.2-16.4000114.4
599V26.7Very low27.4Very low115 Ų115136.7 Ų136.770%0.69780%0.798SS**  trans84.1129.6172.2-1710000113.9
600E28.2Very low27.7Very low181 Ų181138.9 Ų138.985%0.84680%0.796SS**  cis-133.3-179.15.6-150.8123.1-122.600112.5
601K27.7Very low27.6Very low185 Ų185134.9 Ų134.980%0.80478%0.777SS**  trans-115.3155.4171.4-61.4175.4179.7175.60110.2
602E25.5Very low27.8Very low194 Ų194138.9 Ų138.991%0.90777%0.772SS**  -154.8166.7124-122.4171.1-158.600112.7
603V26.7Very low27.8Very low124 Ų124140.6 Ų140.675%0.75278%0.778SS**  trans-150.9173.6-164-174.50000108.7
604M28.4Very low27.8Very low152 Ų152135.1 Ų135.175%0.74977%0.774SS**  trans83143172-61.217681.900115.2
605E26.3Very low28.1Very low172 Ų172140.2 Ų140.280%0.80479%0.785SS**  cis-150.3-176.9-13.4-133173.2-177.100112
606A28.1Very low28.2Very low92 Ų92140.4 Ų140.476%0.7678%0.78SS**  trans-106.6157.7-176.200000113.5
607T27.6Very low28.2Very low149 Ų149146.5 Ų146.591%0.91479%0.787SS**  trans-137.2133.3162.853.70000110.1
608D25.7Very low28.8Very low149 Ų149147.5 Ų147.580%0.79779%0.791SS**  trans-100.5139.1-178.1170.931.7000112.2R610D608-R610 PolarHBondContact OD1-N 2.74Å
609S29.8Very low28.7Very low112 Ų112146.1 Ų146.178%0.78380%0.796SS**  trans-166.687152.856.60000113.1
610R30.3Very low28.7Very low204 Ų204149.3 Ų149.377%0.7780%0.804SS**  trans3.8129.9130.5179176.5173.3167.90.8115.8D608D608-R610 PolarHBondContact OD1-N 2.74Å
611E27.3Very low29.1Very low111 Ų111146.7 Ų146.752%0.51980%0.803SS.*  -167.6159.554.9-149.3170.5-11300115.1
612K29.5Very low29.7Very low162 Ų162145.1 Ų145.170%0.70480%0.802SS**  trans81117.5146.5-101.9164.7-167143.10124.1
613T26.3Very low30.3Very low142 Ų142139.7 Ų139.787%0.87179%0.785SS**  trans63.4115.6139.444.80000122
614G26.5Very low31.7Very low80 Ų80136.4 Ų136.483%0.82578%0.776SS**  trans159.390.9158.500000115.3
615L32Very low33.5Very low173 Ų173134.5 Ų134.591%0.90677%0.766SS**  trans-63.1154.4164.2-110.164.3000109.8
616V27.7Very low36Very low124 Ų124132.2 Ų132.275%0.75275%0.753SS**  cis-143.3152.335.7173.90000111.3
617R26.4Very low38.8Very low238 Ų238129 Ų12990%0.89872%0.721SS**  trans-118.2139.2157.7-90.2-175.1169.7178.6-3.2110.3
618P37.4Very low41.7Very low128 Ų128124 Ų12483%0.83169%0.693SS**  trans-85.5142.6167.234.1-31.6000110.9
619G38.8Very low44.6Very low81 Ų81119.4 Ų119.484%0.83567%0.671SS**  trans117.869169.900000115.6
620E27.4Very low47.3Very low183 Ų183121.3 Ų121.386%0.85567%0.665SS**  trans-119.4146.7153.6-73.7-171.4130.900108.5L622E620-L622 PolarHBondContact O-N 3.19Å
621P35.8Very low50.1Low126 Ų126113.5 Ų113.582%0.81864%0.637SS**PPolyproline II helixtrans-67.2128.917528.5-33.3000109.7S623P621-S623 PolarHBondContact O-N 3.36Å
622L41.4Very low53.1Low152 Ų152108.5 Ų108.580%0.79661%0.614SS**PPolyproline II helixtrans-58.6126.5179.1-71171.5000110.4E620E620-L622 PolarHBondContact O-N 3.19Å
623S38.2Very low56Low79 Ų79103.3 Ų103.355%0.55259%0.594SS**PPolyproline II helixtrans-61.3144.4178.544.90000111.6P621 E625P621-S623 PolarHBondContact O-N 3.36Å; S623-E625 PolarHBondContact O-N 2.85Å
624G54.8Low59Low55 Ų5597.3 Ų97.357%0.56756%0.559SS**  trans-70.653.7-179.900000114.3V569 K626V569-G624 VanDerWaalsContact CG2-O 3.31Å; V569-G624 WeakPolarHBondContact CG2-O 2.9Å; G624-K626 PolarHBondContact O-N 3.18Å
625E65.6Low62.1Low113 Ų11393.5 Ų93.553%0.52852%0.519SS..PPolyproline II helixtrans-74.9123.6172.3-54.3-179.4125.600110.1R548 S623 Y627R548-E625 IonicContact CZ-OE2 2.75Å; R548-E625 IonicContact NE-OE2 3.81Å; R548-E625 PolarHBondContact NH1-O 3.38Å; R548-E625 IonicContact NH2-OE2 3.95Å; R548-E625 PolarHBondContact NH2-OE2 2.91Å; S623-E625 PolarHBondContact O-N 2.85Å; E625-Y627 PolarHBondContact O-N 3.5Å
626K80.3Confident64.9Low123 Ų12385.5 Ų85.554%0.53548%0.477SS..PPolyproline II helixtrans-66130.2177.4-53.4-177.1-166.6-170.20110.2D567 V569 G624D567-K626 WeakPolarHBondContact O-CE 3.44Å; D567-K626 PolarHBondContact O-NZ 3.39Å; V569-K626 HydrophobicContact CG2-CG 3.96Å; G624-K626 PolarHBondContact O-N 3.18Å
627Y87.1Confident68Low24 Ų2486.1 Ų86.19%0.09447%0.47CS..PPolyproline II helixtrans-66.4146.2173.6-56.8-79.8000111.2L262 R548 A549 L553 L570 E625 L632L262-Y627 WeakPolarHBondContact CD2-O 3.42Å; R548-Y627 HydrophobicContact CB-CD1 4.38Å; R548-Y627 HydrophobicContact CB-CE1 4.42Å; R548-Y627 HydrophobicContact CG-CD1 4.29Å; R548-Y627 HydrophobicContact CG-CE1 4Å; A549-Y627 HydrophobicContact CB-CD1 3.62Å; A549-Y627 HydrophobicContact CB-CE1 3.94Å; A549-Y627 HydrophobicContact CB-CG 4.01Å; L553-Y627 HydrophobicContact CD1-CE2 3.84Å; L553-Y627 HydrophobicContact CG-CE2 4.49Å; L570-Y627 HydrophobicContact CB-CD2 4.28Å; L570-Y627 HydrophobicContact CB-CE2 4.13Å; E625-Y627 PolarHBondContact O-N 3.5Å; Y627-L632 HydrophobicContact CD2-CD2 3.99Å; Y627-L632 HydrophobicContact CG-CD2 4.05Å
628S86.9Confident71.1Confident44 Ų4475.5 Ų75.531%0.30843%0.432SS..PPolyproline II helixtrans-72.3161.8175.971.20000112.3K630 E631 L632S628-K630 PolarHBondContact O-N 2.84Å; S628-K630 VanDerWaalsContact O-N 3.15Å; S628-E631 WeakPolarHBondContact CB-OE2 3.49Å; S628-E631 PolarHBondContact N-OE2 2.6Å; S628-E631 PolarHBondContact O-N 2.81Å; S628-E631 WeakPolarHBondContact OG-CG 3.45Å; S628-E631 PolarHBondContact OG-N 3.18Å; S628-E631 PolarHBondContact OG-OE2 2.69Å; S628-L632 PolarHBondContact O-N 2.96Å
629P86.6Confident73.7Confident53 Ų5369.4 Ų69.434%0.34439%0.392SS..Hα-helixtrans-59.1-30177.3-22.332.7000113.2L259 L262 L633L259-P629 HydrophobicContact CD2-CB 4.47Å; L262-P629 HydrophobicContact CD2-CB 4.44Å; L262-P629 HydrophobicContact CD2-CG 3.7Å; L262-P629 HydrophobicContact CG-CG 4.16Å; P629-L633 WeakPolarHBondContact O-CB 3.07Å; P629-L633 PolarHBondContact O-N 3.48Å
630K87.4Confident76.4Confident152 Ų15269 Ų6966%0.66137%0.369SS*.Hα-helixtrans-72.4-29.4177.5-67-176.7178.4179.80112.4S628 A634S628-K630 PolarHBondContact O-N 2.84Å; S628-K630 VanDerWaalsContact O-N 3.15Å; K630-A634 WeakPolarHBondContact O-CB 3.46Å; K630-A634 PolarHBondContact O-N 2.74Å
631E89.9Confident79.5Confident40 Ų4062.3 Ų62.319%0.18735%0.345CS..Hα-helixtrans-79.1-44.1176.5-69.4162.1126.600111.3N547 R548 A549 S628 L633 A634 L635N547-E631 WeakPolarHBondContact OD1-CA 3.17Å; N547-E631 WeakPolarHBondContact OD1-CB 3.41Å; N547-E631 PolarHBondContact OD1-O 3.34Å; R548-E631 WeakPolarHBondContact CB-OE1 3.49Å; A549-E631 HydrophobicContact CB-CB 3.85Å; S628-E631 WeakPolarHBondContact CB-OE2 3.49Å; S628-E631 PolarHBondContact N-OE2 2.6Å; S628-E631 PolarHBondContact O-N 2.81Å; S628-E631 WeakPolarHBondContact OG-CG 3.45Å; S628-E631 PolarHBondContact OG-N 3.18Å; S628-E631 PolarHBondContact OG-OE2 2.69Å; E631-L633 VanDerWaalsContact C-N 3.34Å; E631-L633 PolarHBondContact O-N 3.47Å; E631-A634 PolarHBondContact O-N 2.72Å; E631-L635 PolarHBondContact O-N 2.87Å
632L89.3Confident82.2Confident6 Ų657.2 Ų57.23%0.03131%0.31CS..Hα-helixtrans-66.2-34.1174.9-61.8-175.1000112.9V255 A258 L259 L262 A549 L570 Y627 S628 L635 L636V255-L632 HydrophobicContact CG1-CB 4.46Å; A258-L632 HydrophobicContact CB-CD1 3.94Å; L259-L632 HydrophobicContact CD1-CB 4.27Å; L259-L632 HydrophobicContact CD2-CB 3.62Å; L259-L632 HydrophobicContact CD2-CD1 4.43Å; L259-L632 HydrophobicContact CG-CB 3.7Å; L259-L632 HydrophobicContact CG-CD1 4.32Å; L262-L632 HydrophobicContact CD2-CD1 4.33Å; A549-L632 HydrophobicContact CB-CD2 4.49Å; L570-L632 HydrophobicContact CD1-CD1 4.39Å; L570-L632 HydrophobicContact CD1-CD2 3.56Å; Y627-L632 HydrophobicContact CD2-CD2 3.99Å; Y627-L632 HydrophobicContact CG-CD2 4.05Å; S628-L632 PolarHBondContact O-N 2.96Å; L632-L635 PolarHBondContact O-N 3.33Å; L632-L636 WeakPolarHBondContact O-CB 3.45Å; L632-L636 PolarHBondContact O-N 2.76Å
633L90.1Very high84.8Confident54 Ų5450.7 Ų50.728%0.28328%0.276SS..Hα-helixtrans-69.1-32.8173.3-17563.1000112.6L452 P629 E631 L636 K637L452-L633 HydrophobicContact CD1-CD2 4.4Å; P629-L633 WeakPolarHBondContact O-CB 3.07Å; P629-L633 PolarHBondContact O-N 3.48Å; E631-L633 VanDerWaalsContact C-N 3.34Å; E631-L633 PolarHBondContact O-N 3.47Å; L633-L636 HydrophobicContact CD1-CD2 4.41Å; L633-K637 WeakPolarHBondContact O-CG 3.46Å; L633-K637 PolarHBondContact O-N 2.98Å
634A90.4Very high87.6Confident15 Ų1549.7 Ų49.712%0.12427%0.272CS..Hα-helixtrans-70-43.3172.300000111.2N547 V550 K630 E631 L636 K637 C638N547-A634 VanDerWaalsContact ND2-CB 3.29Å; N547-A634 WeakPolarHBondContact ND2-CB 3.31Å; V550-A634 HydrophobicContact CG2-CB 3.92Å; K630-A634 WeakPolarHBondContact O-CB 3.46Å; K630-A634 PolarHBondContact O-N 2.74Å; E631-A634 PolarHBondContact O-N 2.72Å; A634-L636 PolarHBondContact O-N 2.89Å; A634-K637 PolarHBondContact O-N 3.34Å; A634-C638 PolarHBondContact O-N 3.35Å; A634-C638 VanDerWaalsContact O-N 3.08Å; A634-C638 PolarHBondContact O-SG 2.86Å; A634-C638 VanDerWaalsContact O-SG 3.42Å
635L90.4Very high89.5Confident0 Ų051.6 Ų51.60%027%0.27CS..Hα-helixtrans-59.2-45.6174.6-171.566.6000111.7V255 A549 V550 L553 I557 E631 L632 K637 C638 V639V255-L635 HydrophobicContact CG2-CD2 3.77Å; V255-L635 HydrophobicContact CG2-CG 4.36Å; A549-L635 HydrophobicContact CB-CB 4.13Å; A549-L635 HydrophobicContact CB-CD2 4.26Å; V550-L635 HydrophobicContact CG2-CB 4.48Å; V550-L635 HydrophobicContact CG2-CD1 4.5Å; L553-L635 HydrophobicContact CB-CD1 4.21Å; L553-L635 HydrophobicContact CB-CD2 4.2Å; L553-L635 HydrophobicContact CD1-CD2 3.75Å; I557-L635 HydrophobicContact CD1-CD1 3.52Å; I557-L635 HydrophobicContact CD1-CD2 3.89Å; I557-L635 HydrophobicContact CD1-CG 3.67Å; E631-L635 PolarHBondContact O-N 2.87Å; L632-L635 PolarHBondContact O-N 3.33Å; L635-K637 VanDerWaalsContact C-N 3.33Å; L635-K637 PolarHBondContact O-N 2.81Å; L635-C638 WeakPolarHBondContact O-CB 3.41Å; L635-C638 PolarHBondContact O-N 3.22Å; L635-C638 VanDerWaalsContact O-N 3.1Å; L635-V639 WeakPolarHBondContact O-CG2 3.39Å; L635-V639 PolarHBondContact O-N 3.1Å
636L92.1Very high90.9Very high5 Ų548.3 Ų48.33%0.02625%0.253CS..Hα-helixtrans-55.8-46.1176.6-179.262.6000111.7R252 V255 L256 L259 L632 L633 A634 C638 V639 E640R252-L636 HydrophobicContact CG-CD1 3.73Å; V255-L636 HydrophobicContact CG1-CB 3.99Å; V255-L636 HydrophobicContact CG1-CD1 4.47Å; L256-L636 HydrophobicContact CD2-CD1 4.2Å; L256-L636 HydrophobicContact CD2-CD2 3.66Å; L256-L636 HydrophobicContact CG-CD1 4.02Å; L256-L636 HydrophobicContact CG-CD2 4.37Å; L259-L636 HydrophobicContact CD1-CD2 4.06Å; L632-L636 WeakPolarHBondContact O-CB 3.45Å; L632-L636 PolarHBondContact O-N 2.76Å; L633-L636 HydrophobicContact CD1-CD2 4.41Å; A634-L636 PolarHBondContact O-N 2.89Å; L636-C638 VanDerWaalsContact C-N 3.35Å; L636-C638 PolarHBondContact O-N 3.19Å; L636-V639 PolarHBondContact O-N 3.21Å; L636-E640 HydrophobicContact CD1-CG 4.4Å; L636-E640 WeakPolarHBondContact O-CG 3.27Å; L636-E640 PolarHBondContact O-N 2.71Å
637K91.9Very high91.7Very high138 Ų13846.6 Ų46.660%0.625%0.246SC*.Hα-helixtrans-61.1-40.7175.5-73.8-178.8175.6-168.70112.7L633 A634 L635 V639 E640 A641L633-K637 WeakPolarHBondContact O-CG 3.46Å; L633-K637 PolarHBondContact O-N 2.98Å; A634-K637 PolarHBondContact O-N 3.34Å; L635-K637 VanDerWaalsContact C-N 3.33Å; L635-K637 PolarHBondContact O-N 2.81Å; K637-V639 VanDerWaalsContact C-N 3.34Å; K637-E640 PolarHBondContact O-N 3.1Å; K637-A641 WeakPolarHBondContact O-CB 3.49Å; K637-A641 PolarHBondContact O-N 2.77Å
638C91.4Very high92.2Very high14 Ų1447.7 Ų47.710%0.09526%0.26CS..Hα-helixtrans-63.9-39.1175.2-65.90000112A634 L635 L636 E642A634-C638 PolarHBondContact O-N 3.35Å; A634-C638 VanDerWaalsContact O-N 3.08Å; A634-C638 PolarHBondContact O-SG 2.86Å; A634-C638 VanDerWaalsContact O-SG 3.42Å; L635-C638 WeakPolarHBondContact O-CB 3.41Å; L635-C638 PolarHBondContact O-N 3.22Å; L635-C638 VanDerWaalsContact O-N 3.1Å; L636-C638 VanDerWaalsContact C-N 3.35Å; L636-C638 PolarHBondContact O-N 3.19Å; C638-E642 PolarHBondContact O-N 2.81Å
639V92.8Very high92.6Very high0 Ų046.9 Ų46.90%026%0.255CS..Hα-helixtrans-65.5-44.2174.4177.20000111.5L248 R252 I557 L635 L636 K637 A641 E642 I643L248-V639 HydrophobicContact CD2-CG1 4.05Å; L248-V639 WeakPolarHBondContact O-CG1 3.4Å; R252-V639 HydrophobicContact CB-CG1 3.72Å; R252-V639 HydrophobicContact CG-CG1 4.34Å; I557-V639 HydrophobicContact CD1-CG2 3.23Å; I557-V639 HydrophobicContact CG1-CG2 3.67Å; I557-V639 HydrophobicContact CG2-CG2 4.24Å; L635-V639 WeakPolarHBondContact O-CG2 3.39Å; L635-V639 PolarHBondContact O-N 3.1Å; L636-V639 PolarHBondContact O-N 3.21Å; K637-V639 VanDerWaalsContact C-N 3.34Å; V639-A641 PolarHBondContact O-N 3.36Å; V639-E642 PolarHBondContact O-N 2.89Å; V639-I643 HydrophobicContact CG1-CD1 3.87Å; V639-I643 HydrophobicContact CG1-CG1 4.39Å; V639-I643 VanDerWaalsContact O-CG1 3.3Å; V639-I643 WeakPolarHBondContact O-CG1 3.47Å; V639-I643 PolarHBondContact O-N 3.42Å
640E93.9Very high93.1Very high73 Ų7345.8 Ų45.834%0.34125%0.246SC..Hα-helixtrans-65.5-37.9179.3-70.7-178.4146.200112.2R252 L636 K637 I643 A644R252-E640 IonicContact CZ-OE1 3.25Å; R252-E640 IonicContact NE-OE1 3.95Å; R252-E640 PolarHBondContact NE-OE1 3.47Å; R252-E640 IonicContact NH2-OE1 2.82Å; R252-E640 PolarHBondContact NH2-OE1 2.89Å; L636-E640 HydrophobicContact CD1-CG 4.4Å; L636-E640 WeakPolarHBondContact O-CG 3.27Å; L636-E640 PolarHBondContact O-N 2.71Å; K637-E640 PolarHBondContact O-N 3.1Å; E640-I643 PolarHBondContact O-N 3.23Å; E640-A644 PolarHBondContact O-N 3.03Å
641A93.1Very high93.6Very high42 Ų4244.6 Ų44.635%0.34724%0.241SC..Hα-helixtrans-65.7-41.517200000112.6K637 V639 A644 N645K637-A641 WeakPolarHBondContact O-CB 3.49Å; K637-A641 PolarHBondContact O-N 2.77Å; V639-A641 PolarHBondContact O-N 3.36Å; A641-A644 PolarHBondContact O-N 3.4Å; A641-N645 WeakPolarHBondContact O-CB 3.35Å; A641-N645 PolarHBondContact O-N 2.98Å
642E92.8Very high93.9Very high20 Ų2048.4 Ų48.49%0.09326%0.258CS..Hα-helixtrans-67.5-36.8174.9-76-168.2-157.500112.4L248 R540 S558 C638 V639 N645 Y646L248-E642 HydrophobicContact CD1-CB 3.98Å; L248-E642 HydrophobicContact CD2-CB 3.98Å; R540-E642 IonicContact CZ-OE1 2.71Å; R540-E642 IonicContact NE-OE1 2.82Å; R540-E642 IonicContact NH2-OE1 2.95Å; R540-E642 PolarHBondContact NH2-OE1 3.44Å; S558-E642 WeakPolarHBondContact CB-OE2 3.32Å; S558-E642 PolarHBondContact OG-OE2 3.41Å; C638-E642 PolarHBondContact O-N 2.81Å; V639-E642 PolarHBondContact O-N 2.89Å; E642-N645 PolarHBondContact O-N 2.97Å; E642-Y646 WeakPolarHBondContact O-CD2 3.48Å; E642-Y646 PolarHBondContact O-N 2.95Å
643I95.5Very high94.2Very high15 Ų1548.9 Ų48.98%0.07726%0.26CS..Hα-helixtrans-59.1-53.4171.4-71.1167.4000110.1L245 L248 K249 R252 V639 E640 N645 Y646 E647L245-I643 HydrophobicContact CD2-CB 4.45Å; L245-I643 HydrophobicContact CD2-CG2 4.13Å; L245-I643 WeakPolarHBondContact CD2-O 3.24Å; L248-I643 HydrophobicContact CB-CD1 4.23Å; L248-I643 HydrophobicContact CB-CG1 3.64Å; L248-I643 HydrophobicContact CD1-CG1 4.39Å; L248-I643 HydrophobicContact CG-CG1 4.49Å; K249-I643 HydrophobicContact CG-CD1 4Å; K249-I643 HydrophobicContact CG-CG1 4.45Å; R252-I643 HydrophobicContact CB-CD1 4.17Å; V639-I643 HydrophobicContact CG1-CD1 3.87Å; V639-I643 HydrophobicContact CG1-CG1 4.39Å; V639-I643 VanDerWaalsContact O-CG1 3.3Å; V639-I643 WeakPolarHBondContact O-CG1 3.47Å; V639-I643 PolarHBondContact O-N 3.42Å; E640-I643 PolarHBondContact O-N 3.23Å; I643-N645 VanDerWaalsContact C-N 3.28Å; I643-N645 PolarHBondContact O-N 3.02Å; I643-Y646 PolarHBondContact O-N 3.32Å; I643-E647 HydrophobicContact CG2-CG 4.17Å; I643-E647 WeakPolarHBondContact O-CB 3.21Å; I643-E647 WeakPolarHBondContact O-CG 3.3Å; I643-E647 PolarHBondContact O-N 3.47Å
644A96.5Very high94.5Very high58 Ų5848.6 Ų48.648%0.47926%0.261SS..Hα-helixtrans-57.6-41.4-179.300000112.2E640 A641 A648E640-A644 PolarHBondContact O-N 3.03Å; A641-A644 PolarHBondContact O-N 3.4Å; A644-A648 PolarHBondContact O-N 3.33Å
645N95.2Very high94.9Very high95 Ų9552.8 Ų52.851%0.50828%0.278SS..Hα-helixtrans-63.1-48.6175.4-17992.8000112.4A641 E642 I643 A648 C649A641-N645 WeakPolarHBondContact O-CB 3.35Å; A641-N645 PolarHBondContact O-N 2.98Å; E642-N645 PolarHBondContact O-N 2.97Å; I643-N645 VanDerWaalsContact C-N 3.28Å; I643-N645 PolarHBondContact O-N 3.02Å; N645-A648 PolarHBondContact O-N 3.33Å; N645-C649 PolarHBondContact O-N 3.1Å; N645-C649 PolarHBondContact O-SG 3.24Å; N645-C649 VanDerWaalsContact O-SG 3.32Å
646Y95.6Very high95.2Very high44 Ų4455.8 Ų55.817%0.17329%0.291CS..Hα-helixtrans-70.7-28.8179.3-79.7-67.7000113.2Y241 R244 L248 E642 I643 L650Y241-Y646 AromaticContact CD1-CD1 3.53Å; Y241-Y646 HydrophobicContact CD1-CD1 3.53Å; Y241-Y646 AromaticContact CD1-CE1 3.78Å; Y241-Y646 HydrophobicContact CD1-CE1 3.78Å; Y241-Y646 HydrophobicContact CE1-CD1 4.07Å; Y241-Y646 HydrophobicContact CE1-CE1 4.05Å; Y241-Y646 HydrophobicContact CG-CD1 4.31Å; R244-Y646 HydrophobicContact CB-CD1 4.33Å; R244-Y646 HydrophobicContact CB-CE1 4.22Å; R244-Y646 HydrophobicContact CB-CE2 4.45Å; R244-Y646 HydrophobicContact CB-CG 4.47Å; R244-Y646 HydrophobicContact CG-CE1 4.33Å; L248-Y646 HydrophobicContact CD1-CD2 3.44Å; L248-Y646 VanDerWaalsContact CD1-CD2 3.44Å; L248-Y646 HydrophobicContact CD1-CE2 3.86Å; L248-Y646 HydrophobicContact CD1-CG 4.46Å; E642-Y646 WeakPolarHBondContact O-CD2 3.48Å; E642-Y646 PolarHBondContact O-N 2.95Å; I643-Y646 PolarHBondContact O-N 3.32Å; Y646-L650 VanDerWaalsContact O-CB 3.29Å; Y646-L650 WeakPolarHBondContact O-CB 3.41Å; Y646-L650 PolarHBondContact O-N 2.98Å
647E97.3Very high95.3Very high86 Ų8656 Ų5640%0.40229%0.291SS..Hα-helixtrans-67.7-38171.7-72.6-172.9155.200111.6L245 K249 I643 K651L245-E647 HydrophobicContact CD1-CG 3.8Å; L245-E647 HydrophobicContact CD2-CG 3.6Å; L245-E647 HydrophobicContact CG-CG 4.36Å; K249-E647 WeakPolarHBondContact CE-OE1 3.19Å; K249-E647 IonicContact NZ-OE1 3.48Å; K249-E647 PolarHBondContact NZ-OE1 2.89Å; I643-E647 HydrophobicContact CG2-CG 4.17Å; I643-E647 WeakPolarHBondContact O-CB 3.21Å; I643-E647 WeakPolarHBondContact O-CG 3.3Å; I643-E647 PolarHBondContact O-N 3.47Å; E647-K651 WeakPolarHBondContact O-CB 3.47Å; E647-K651 PolarHBondContact O-N 3.49Å
648A97.2Very high95.6Very high47 Ų4755.6 Ų55.639%0.38829%0.29SS..Hα-helixtrans-62.6-5217100000111.7A644 N645 L650 K651 E652A644-A648 PolarHBondContact O-N 3.33Å; N645-A648 PolarHBondContact O-N 3.33Å; A648-L650 VanDerWaalsContact C-N 3.32Å; A648-L650 PolarHBondContact O-N 2.82Å; A648-K651 WeakPolarHBondContact O-CB 3.36Å; A648-K651 PolarHBondContact O-N 2.69Å; A648-K651 VanDerWaalsContact O-N 3.14Å; A648-E652 WeakPolarHBondContact O-CG 3.44Å; A648-E652 PolarHBondContact O-N 2.98Å
649C95.6Very high95.9Very high28 Ų2861 Ų6119%0.18931%0.311CS..Hα-helixtrans-62.1-36.1179.2-620000113.3Y241 N645 E653Y241-C649 HydrophobicContact CD2-CB 3.96Å; Y241-C649 HydrophobicContact CE1-CB 4.27Å; Y241-C649 HydrophobicContact CE2-CB 3.63Å; Y241-C649 HydrophobicContact CG-CB 4.41Å; N645-C649 PolarHBondContact O-N 3.1Å; N645-C649 PolarHBondContact O-SG 3.24Å; N645-C649 VanDerWaalsContact O-SG 3.32Å; C649-E653 PolarHBondContact O-N 2.96Å; C649-E653 VanDerWaalsContact O-N 3.14Å
650L97Very high96Very high30 Ų3062.3 Ų62.316%0.15732%0.317CS..Hα-helixtrans-65.1-45.2173.6177.558000111.3R238 Y241 E242 L245 Y646 A648 E652 E653 V654R238-L650 HydrophobicContact CB-CD1 3.83Å; R238-L650 HydrophobicContact CG-CD1 4.29Å; Y241-L650 HydrophobicContact CD2-CB 4.5Å; E242-L650 HydrophobicContact CG-CD1 3.87Å; E242-L650 HydrophobicContact CG-CD2 3.66Å; E242-L650 HydrophobicContact CG-CG 4.45Å; L245-L650 HydrophobicContact CD1-CB 4.32Å; L245-L650 HydrophobicContact CD1-CD2 3.73Å; Y646-L650 VanDerWaalsContact O-CB 3.29Å; Y646-L650 WeakPolarHBondContact O-CB 3.41Å; Y646-L650 PolarHBondContact O-N 2.98Å; A648-L650 VanDerWaalsContact C-N 3.32Å; A648-L650 PolarHBondContact O-N 2.82Å; L650-E652 VanDerWaalsContact C-N 3.33Å; L650-E652 PolarHBondContact O-N 3.18Å; L650-E653 PolarHBondContact O-N 2.92Å; L650-V654 HydrophobicContact CD1-CG2 4.12Å; L650-V654 WeakPolarHBondContact O-CB 3.25Å; L650-V654 VanDerWaalsContact O-CG2 3.29Å; L650-V654 WeakPolarHBondContact O-CG2 3.29Å; L650-V654 PolarHBondContact O-N 3.43Å
651K97.6Very high96.2Very high127 Ų12763.3 Ų63.355%0.55232%0.32SS*.Hα-helixtrans-58.9-44.1176.3-179.1-176.1169.1-172.50111.5E647 A648 V654 E655E647-K651 WeakPolarHBondContact O-CB 3.47Å; E647-K651 PolarHBondContact O-N 3.49Å; A648-K651 WeakPolarHBondContact O-CB 3.36Å; A648-K651 PolarHBondContact O-N 2.69Å; A648-K651 VanDerWaalsContact O-N 3.14Å; K651-V654 PolarHBondContact O-N 3.47Å; K651-E655 WeakPolarHBondContact CE-OE1 3.45Å; K651-E655 HydrophobicContact CG-CG 4.49Å; K651-E655 IonicContact NZ-OE1 3.77Å; K651-E655 WeakPolarHBondContact O-CB 3.43Å; K651-E655 WeakPolarHBondContact O-CG 3.11Å; K651-E655 PolarHBondContact O-N 3.32Å
652E96.7Very high96.3Very high119 Ų11965 Ų6556%0.55632%0.322SS*.Hα-helixtrans-61.2-48.5177.9-72.9176.6172.200112.6A648 L650 V654 E655 K656A648-E652 WeakPolarHBondContact O-CG 3.44Å; A648-E652 PolarHBondContact O-N 2.98Å; L650-E652 VanDerWaalsContact C-N 3.33Å; L650-E652 PolarHBondContact O-N 3.18Å; E652-V654 VanDerWaalsContact C-N 3.31Å; E652-V654 PolarHBondContact O-N 2.98Å; E652-E655 PolarHBondContact O-N 3.07Å; E652-K656 VanDerWaalsContact O-CB 3.23Å; E652-K656 WeakPolarHBondContact O-CB 3.04Å; E652-K656 PolarHBondContact O-N 3.19Å
653E95.7Very high96.4Very high17 Ų1766.3 Ų66.38%0.07933%0.33CS..Hα-helixtrans-68-28.8177.6-70.5-74.9162.300112.3Q28 R237 R238 Y241 C649 L650 K656 R657Q28-E653 PolarHBondContact NE2-OE2 3.46Å; R237-E653 HydrophobicContact CB-CG 3.91Å; R237-E653 VanDerWaalsContact CD-OE1 3.23Å; R237-E653 WeakPolarHBondContact CD-OE1 3.42Å; R237-E653 IonicContact NH1-OE1 2.71Å; R237-E653 PolarHBondContact NH1-OE1 2.93Å; R238-E653 HydrophobicContact CG-CB 3.96Å; Y241-E653 HydrophobicContact CD2-CG 4.46Å; Y241-E653 HydrophobicContact CE2-CG 3.88Å; C649-E653 PolarHBondContact O-N 2.96Å; C649-E653 VanDerWaalsContact O-N 3.14Å; L650-E653 PolarHBondContact O-N 2.92Å; E653-K656 IonicContact OE1-NZ 3.56Å; E653-K656 PolarHBondContact OE1-NZ 3.42Å; E653-K656 WeakPolarHBondContact OE2-CD 3.28Å; E653-K656 WeakPolarHBondContact OE2-CE 3.46Å; E653-K656 IonicContact OE2-NZ 2.75Å; E653-K656 PolarHBondContact OE2-NZ 2.99Å; E653-R657 WeakPolarHBondContact O-CB 3.31Å; E653-R657 PolarHBondContact O-N 3.28Å
654V97Very high96.4Very high47 Ų4766.5 Ų66.529%0.28533%0.331SS..Hα-helixtrans-69.9-44.5171.1167.60000111.7R238 L650 K651 E652 R657 K658R238-V654 HydrophobicContact CG-CG2 4.21Å; L650-V654 HydrophobicContact CD1-CG2 4.12Å; L650-V654 WeakPolarHBondContact O-CB 3.25Å; L650-V654 VanDerWaalsContact O-CG2 3.29Å; L650-V654 WeakPolarHBondContact O-CG2 3.29Å; L650-V654 PolarHBondContact O-N 3.43Å; K651-V654 PolarHBondContact O-N 3.47Å; E652-V654 VanDerWaalsContact C-N 3.31Å; E652-V654 PolarHBondContact O-N 2.98Å; V654-R657 PolarHBondContact O-N 3.33Å; V654-K658 WeakPolarHBondContact O-CG 3.26Å; V654-K658 PolarHBondContact O-N 3.17Å
655E97.4Very high96.2Very high104 Ų10469.7 Ų69.749%0.48634%0.337SS..Hα-helixtrans-66.6-37.4176.5-74.5-179.2-175.400111.8K651 E652 K658 K659K651-E655 WeakPolarHBondContact CE-OE1 3.45Å; K651-E655 HydrophobicContact CG-CG 4.49Å; K651-E655 IonicContact NZ-OE1 3.77Å; K651-E655 WeakPolarHBondContact O-CB 3.43Å; K651-E655 WeakPolarHBondContact O-CG 3.11Å; K651-E655 PolarHBondContact O-N 3.32Å; E652-E655 PolarHBondContact O-N 3.07Å; E655-K658 WeakPolarHBondContact O-CB 3.34Å; E655-K658 PolarHBondContact O-N 3.35Å; E655-K659 PolarHBondContact O-N 2.98Å
656K96.1Very high96.1Very high63 Ų6372.1 Ų72.127%0.27434%0.339SS..Hα-helixtrans-59.8-45.6169.6177.6-173.7170.3-162.60112.1E652 E653 K658 K659 F660E652-K656 VanDerWaalsContact O-CB 3.23Å; E652-K656 WeakPolarHBondContact O-CB 3.04Å; E652-K656 PolarHBondContact O-N 3.19Å; E653-K656 IonicContact OE1-NZ 3.56Å; E653-K656 PolarHBondContact OE1-NZ 3.42Å; E653-K656 WeakPolarHBondContact OE2-CD 3.28Å; E653-K656 WeakPolarHBondContact OE2-CE 3.46Å; E653-K656 IonicContact OE2-NZ 2.75Å; E653-K656 PolarHBondContact OE2-NZ 2.99Å; K656-K658 PolarHBondContact O-N 3.3Å; K656-K659 WeakPolarHBondContact O-CB 3.4Å; K656-K659 PolarHBondContact O-N 2.9Å; K656-F660 HydrophobicContact CD-CZ 4.42Å; K656-F660 HydrophobicContact CG-CE1 4.17Å; K656-F660 HydrophobicContact CG-CE2 4.14Å; K656-F660 HydrophobicContact CG-CZ 3.82Å; K656-F660 WeakPolarHBondContact O-CG 3.5Å; K656-F660 PolarHBondContact O-N 2.85Å
657R95.9Very high95.8Very high9 Ų971.3 Ų71.33%0.03434%0.335CS..Hα-helixtrans-64.8-36.4175.3-167.968.657.9113.53.9112.2E20 D236 R238 E653 V654 F660 K661E20-R657 IonicContact OE1-CZ 3.61Å; E20-R657 IonicContact OE1-NH1 3.55Å; E20-R657 PolarHBondContact OE1-NH1 3.33Å; D236-R657 IonicContact OD1-NH2 2.69Å; D236-R657 IonicContact OD2-CZ 2.73Å; D236-R657 VanDerWaalsContact OD2-CZ 3.32Å; D236-R657 IonicContact OD2-NH1 3.41Å; D236-R657 PolarHBondContact OD2-NH1 2.83Å; D236-R657 IonicContact OD2-NH2 2.63Å; D236-R657 PolarHBondContact OD2-NH2 3.08Å; R238-R657 VanDerWaalsContact NH2-CZ 3.33Å; E653-R657 WeakPolarHBondContact O-CB 3.31Å; E653-R657 PolarHBondContact O-N 3.28Å; V654-R657 PolarHBondContact O-N 3.33Å; R657-F660 PolarHBondContact O-N 3.22Å; R657-K661 PolarHBondContact O-N 2.89Å
658K97Very high95.5Very high130 Ų13069 Ų6957%0.56533%0.327SS*.Hα-helixtrans-63.4-45.5170.9-71.6176.5-179.9-177.60111.5V654 E655 K656 F660 K661 I662V654-K658 WeakPolarHBondContact O-CG 3.26Å; V654-K658 PolarHBondContact O-N 3.17Å; E655-K658 WeakPolarHBondContact O-CB 3.34Å; E655-K658 PolarHBondContact O-N 3.35Å; K656-K658 PolarHBondContact O-N 3.3Å; K658-F660 VanDerWaalsContact C-N 3.34Å; K658-F660 PolarHBondContact O-N 3.13Å; K658-K661 PolarHBondContact O-N 2.89Å; K658-I662 WeakPolarHBondContact O-CG1 3.24Å; K658-I662 PolarHBondContact O-N 3.47Å; K658-I662 VanDerWaalsContact O-N 3.11Å
659K97.2Very high95.1Very high126 Ų12672 Ų7255%0.54833%0.333SS..Hα-helixtrans-57.1-45.4175.8-179-174.4169.3-170.30111.5E655 K656 K661 I662 D663E655-K659 PolarHBondContact O-N 2.98Å; K656-K659 WeakPolarHBondContact O-CB 3.4Å; K656-K659 PolarHBondContact O-N 2.9Å; K659-K661 VanDerWaalsContact C-N 3.32Å; K659-K661 PolarHBondContact O-N 3.28Å; K659-I662 PolarHBondContact O-N 3.35Å; K659-I662 VanDerWaalsContact O-N 3.12Å; K659-D663 WeakPolarHBondContact CE-OD2 3.25Å; K659-D663 WeakPolarHBondContact CG-OD2 3.46Å; K659-D663 PolarHBondContact O-N 3.45Å
660F96.7Very high94.7Very high29 Ų2973.1 Ų73.113%0.12734%0.337CS..Hα-helixtrans-54.8-45.7176.8-65.9-21.4000112.2G13 L17 K656 R657 K658 I662 D663 D664G13-F660 VanDerWaalsContact CA-CD1 3.48Å; G13-F660 VanDerWaalsContact CA-CG 3.47Å; L17-F660 HydrophobicContact CD1-CB 4.31Å; L17-F660 HydrophobicContact CG-CB 4.49Å; K656-F660 HydrophobicContact CD-CZ 4.42Å; K656-F660 HydrophobicContact CG-CE1 4.17Å; K656-F660 HydrophobicContact CG-CE2 4.14Å; K656-F660 HydrophobicContact CG-CZ 3.82Å; K656-F660 WeakPolarHBondContact O-CG 3.5Å; K656-F660 PolarHBondContact O-N 2.85Å; R657-F660 PolarHBondContact O-N 3.22Å; K658-F660 VanDerWaalsContact C-N 3.34Å; K658-F660 PolarHBondContact O-N 3.13Å; F660-I662 PolarHBondContact O-N 3Å; F660-D663 PolarHBondContact O-N 2.84Å; F660-D664 WeakPolarHBondContact O-CB 3.4Å; F660-D664 PolarHBondContact O-N 3.04Å
661K96.6Very high94.3Very high94 Ų9476.4 Ų76.441%0.40935%0.348SS..Hα-helixtrans-65.8-36177.9-63.5-172.5-168.9-110.80112.6L17 E20 R657 K658 K659 Q665L17-K661 HydrophobicContact CD1-CG 4.12Å; L17-K661 HydrophobicContact CD2-CD 4.23Å; L17-K661 HydrophobicContact CD2-CG 3.58Å; E20-K661 IonicContact OE2-NZ 3.82Å; E20-K661 PolarHBondContact OE2-NZ 2.78Å; R657-K661 PolarHBondContact O-N 2.89Å; K658-K661 PolarHBondContact O-N 2.89Å; K659-K661 VanDerWaalsContact C-N 3.32Å; K659-K661 PolarHBondContact O-N 3.28Å; K661-Q665 WeakPolarHBondContact O-CB 3.31Å; K661-Q665 VanDerWaalsContact O-CG 3.24Å; K661-Q665 WeakPolarHBondContact O-CG 3.27Å; K661-Q665 PolarHBondContact O-N 3.14Å
662I96.4Very high93.7Very high76 Ų7673 Ų7339%0.3934%0.335SS..Hα-helixtrans-69.2-43.5176.3-66.4165.5000111.6K658 K659 F660 Q665 R666K658-I662 WeakPolarHBondContact O-CG1 3.24Å; K658-I662 PolarHBondContact O-N 3.47Å; K658-I662 VanDerWaalsContact O-N 3.11Å; K659-I662 PolarHBondContact O-N 3.35Å; K659-I662 VanDerWaalsContact O-N 3.12Å; F660-I662 PolarHBondContact O-N 3Å; I662-Q665 PolarHBondContact O-N 3.4Å; I662-R666 WeakPolarHBondContact O-CD 3.26Å; I662-R666 VanDerWaalsContact O-CG 3.24Å; I662-R666 WeakPolarHBondContact O-CG 3.15Å; I662-R666 PolarHBondContact O-N 3.13Å
663D94.7Very high93.3Very high48 Ų4874 Ų7426%0.25734%0.34SS..Hα-helixtrans-74.9-28.9-179.4-71.4-23.2000112.2K659 F660 R666 R667K659-D663 WeakPolarHBondContact CE-OD2 3.25Å; K659-D663 WeakPolarHBondContact CG-OD2 3.46Å; K659-D663 PolarHBondContact O-N 3.45Å; F660-D663 PolarHBondContact O-N 2.84Å; D663-R666 WeakPolarHBondContact OD1-CD 3.03Å; D663-R666 IonicContact OD1-CZ 2.69Å; D663-R666 IonicContact OD1-NE 3.33Å; D663-R666 IonicContact OD1-NH1 2.74Å; D663-R666 PolarHBondContact OD1-NH1 3.16Å; D663-R667 WeakPolarHBondContact O-CB 3.29Å; D663-R667 PolarHBondContact O-N 2.89Å; D663-R667 VanDerWaalsContact O-N 3.09Å
664D94.4Very high93Very high19 Ų1979.6 Ų79.610%0.10237%0.365CS..Hα-helixtrans-65.8-48.4166.9-175.663.2000112.4L17 H144 F660 R666 R667 T668L17-D664 HydrophobicContact CD1-CB 3.62Å; H144-D664 IonicContact CE1-OD1 3.85Å; H144-D664 IonicContact CE1-OD2 3.5Å; H144-D664 PolarHBondContact CE1-OD2 3.38Å; H144-D664 IonicContact CG-OD1 3.18Å; H144-D664 IonicContact ND1-OD1 2.71Å; H144-D664 PolarHBondContact ND1-OD1 3.38Å; H144-D664 IonicContact ND1-OD2 3.32Å; H144-D664 PolarHBondContact ND1-OD2 2.84Å; F660-D664 WeakPolarHBondContact O-CB 3.4Å; F660-D664 PolarHBondContact O-N 3.04Å; D664-R666 VanDerWaalsContact C-N 3.29Å; D664-R666 PolarHBondContact O-N 2.84Å; D664-R667 WeakPolarHBondContact O-CB 3.46Å; D664-R667 PolarHBondContact O-N 3.07Å; D664-T668 WeakPolarHBondContact O-CB 3.3Å; D664-T668 WeakPolarHBondContact O-CG2 3.5Å; D664-T668 PolarHBondContact O-N 3.04Å; D664-T668 PolarHBondContact O-OG1 2.84Å
665Q92.9Very high92.6Very high126 Ų12681.1 Ų81.159%0.58937%0.37SS*.Hα-helixtrans-55.9-42172.4-77.1172.7-7.700112K661 I662 R667 T668 H669K661-Q665 WeakPolarHBondContact O-CB 3.31Å; K661-Q665 VanDerWaalsContact O-CG 3.24Å; K661-Q665 WeakPolarHBondContact O-CG 3.27Å; K661-Q665 PolarHBondContact O-N 3.14Å; I662-Q665 PolarHBondContact O-N 3.4Å; Q665-R667 VanDerWaalsContact C-N 3.3Å; Q665-R667 PolarHBondContact O-N 3.43Å; Q665-T668 WeakPolarHBondContact CA-OG1 3.48Å; Q665-T668 PolarHBondContact O-N 3.11Å; Q665-T668 PolarHBondContact O-OG1 3.23Å; Q665-H669 WeakPolarHBondContact O-CB 3.12Å; Q665-H669 PolarHBondContact O-N 3.25Å
666R92.4Very high92.3Very high146 Ų14679.9 Ų79.955%0.55137%0.372SS*.Hα-helixtrans-64.9-29.1175.2-72.9162.4172.4171-3.3113.7I662 D663 D664 Y671I662-R666 WeakPolarHBondContact O-CD 3.26Å; I662-R666 VanDerWaalsContact O-CG 3.24Å; I662-R666 WeakPolarHBondContact O-CG 3.15Å; I662-R666 PolarHBondContact O-N 3.13Å; D663-R666 WeakPolarHBondContact OD1-CD 3.03Å; D663-R666 IonicContact OD1-CZ 2.69Å; D663-R666 IonicContact OD1-NE 3.33Å; D663-R666 IonicContact OD1-NH1 2.74Å; D663-R666 PolarHBondContact OD1-NH1 3.16Å; D664-R666 VanDerWaalsContact C-N 3.29Å; D664-R666 PolarHBondContact O-N 2.84Å; R666-Y671 WeakPolarHBondContact O-CE2 3.43Å
667R89.6Confident92.1Very high27 Ų2780.5 Ų80.510%0.10238%0.381CS..Hα-helixtrans-80.7-35.1179.8-165.1-165.5-36.5-122.18.8112.1E9 D11 R146 D663 D664 Q665E9-R667 VanDerWaalsContact OE2-CD 3.29Å; E9-R667 WeakPolarHBondContact OE2-CD 3.41Å; E9-R667 IonicContact OE2-CZ 3.43Å; E9-R667 IonicContact OE2-NE 2.71Å; E9-R667 IonicContact OE2-NH1 3.56Å; E9-R667 PolarHBondContact OE2-NH1 3.16Å; D11-R667 IonicContact OD1-CZ 3.44Å; D11-R667 IonicContact OD1-NH1 2.75Å; D11-R667 IonicContact OD1-NH2 2.65Å; D11-R667 PolarHBondContact OD1-NH2 3.3Å; R146-R667 HydrophobicContact CG-CG 4.03Å; D663-R667 WeakPolarHBondContact O-CB 3.29Å; D663-R667 PolarHBondContact O-N 2.89Å; D663-R667 VanDerWaalsContact O-N 3.09Å; D664-R667 WeakPolarHBondContact O-CB 3.46Å; D664-R667 PolarHBondContact O-N 3.07Å; Q665-R667 VanDerWaalsContact C-N 3.3Å; Q665-R667 PolarHBondContact O-N 3.43Å
668T90.5Very high91.9Very high38 Ų3885.2 Ų85.223%0.23340%0.402CS..Hα-helixtrans-93.4-18.1-174.456.40000113.2S143 P147 D664 Q665S143-T668 WeakPolarHBondContact O-CG2 3.33Å; P147-T668 WeakPolarHBondContact CD-O 3.43Å; P147-T668 WeakPolarHBondContact CG-O 3.4Å; D664-T668 WeakPolarHBondContact O-CB 3.3Å; D664-T668 WeakPolarHBondContact O-CG2 3.5Å; D664-T668 PolarHBondContact O-N 3.04Å; D664-T668 PolarHBondContact O-OG1 2.84Å; Q665-T668 WeakPolarHBondContact CA-OG1 3.48Å; Q665-T668 PolarHBondContact O-N 3.11Å; Q665-T668 PolarHBondContact O-OG1 3.23Å
669H89.3Confident91.7Very high109 Ų10982.7 Ų82.751%0.50539%0.394SS..SBendtrans-68.2133.7177.1-172.886.1000112.6Q665 Y671Q665-H669 WeakPolarHBondContact O-CB 3.12Å; Q665-H669 PolarHBondContact O-N 3.25Å; H669-Y671 HydrophobicContact CB-CE2 4.24Å; H669-Y671 AromaticContact CD2-CD1 3.66Å; H669-Y671 AromaticContact CD2-CE1 3.58Å; H669-Y671 AromaticContact CD2-CG 3.96Å; H669-Y671 AromaticContact CD2-CZ 3.82Å; H669-Y671 WeakPolarHBondContact O-CD2 3.35Å; H669-Y671 PolarHBondContact O-N 2.98Å
670N87.2Confident91.4Very high51 Ų5179.7 Ų79.727%0.27339%0.389SS..  trans-86105.9175-174.6-29.6000110.7P147 D672P147-N670 HydrophobicContact CB-CB 4.43Å; P147-N670 HydrophobicContact CG-CB 4.19Å; N670-D672 PolarHBondContact ND2-OD2 3.4Å; N670-D672 WeakPolarHBondContact OD1-CA 3.47Å; N670-D672 WeakPolarHBondContact OD1-CB 3.44Å; N670-D672 PolarHBondContact OD1-N 2.94Å; N670-D672 PolarHBondContact OD1-OD2 2.95Å; N670-D672 VanDerWaalsContact OD1-OD2 3.1Å
671Y88.8Confident91.2Very high100 Ų10082.8 Ų82.839%0.39241%0.405SS..  trans-81.5-4176.8-64.9-78.9000115.1R666 H669 E673 F674 I675R666-Y671 WeakPolarHBondContact O-CE2 3.43Å; H669-Y671 HydrophobicContact CB-CE2 4.24Å; H669-Y671 AromaticContact CD2-CD1 3.66Å; H669-Y671 AromaticContact CD2-CE1 3.58Å; H669-Y671 AromaticContact CD2-CG 3.96Å; H669-Y671 AromaticContact CD2-CZ 3.82Å; H669-Y671 WeakPolarHBondContact O-CD2 3.35Å; H669-Y671 PolarHBondContact O-N 2.98Å; Y671-E673 VanDerWaalsContact C-N 3.26Å; Y671-E673 PolarHBondContact O-N 3.36Å; Y671-F674 PolarHBondContact O-N 2.81Å; Y671-I675 WeakPolarHBondContact O-CB 3.18Å; Y671-I675 VanDerWaalsContact O-CG1 3.28Å; Y671-I675 WeakPolarHBondContact O-CG1 3.43Å; Y671-I675 PolarHBondContact O-N 3.49Å
672D86.2Confident91Very high54 Ų5479.4 Ų79.429%0.28939%0.391SS..Hα-helixtrans-51.2-45.5-177.1-67-27.3000111.4N670 I675 C676N670-D672 PolarHBondContact ND2-OD2 3.4Å; N670-D672 WeakPolarHBondContact OD1-CA 3.47Å; N670-D672 WeakPolarHBondContact OD1-CB 3.44Å; N670-D672 PolarHBondContact OD1-N 2.94Å; N670-D672 PolarHBondContact OD1-OD2 2.95Å; N670-D672 VanDerWaalsContact OD1-OD2 3.1Å; D672-I675 PolarHBondContact O-N 2.96Å; D672-C676 VanDerWaalsContact O-CB 3.25Å; D672-C676 WeakPolarHBondContact O-CB 3.27Å; D672-C676 PolarHBondContact O-N 3.21Å; D672-C676 PolarHBondContact O-SG 3Å; D672-C676 VanDerWaalsContact O-SG 3.34Å
673E86.8Confident90.8Very high140 Ų14078.3 Ų78.365%0.65439%0.394SS*.Hα-helixtrans-67.9-41.6-175.9-172.9166172.500112.2Y671 T677Y671-E673 VanDerWaalsContact C-N 3.26Å; Y671-E673 PolarHBondContact O-N 3.36Å; E673-T677 VanDerWaalsContact O-CB 3.26Å; E673-T677 WeakPolarHBondContact O-CB 3.28Å; E673-T677 PolarHBondContact O-N 3.21Å; E673-T677 PolarHBondContact O-OG1 2.78Å
674F89.8Confident90.6Very high135 Ų13583.7 Ų83.759%0.59242%0.417SS*.Hα-helixtrans-63.6-46.3172.5173.6-100.6000111.5Y671 T677 F678Y671-F674 PolarHBondContact O-N 2.81Å; F674-T677 PolarHBondContact O-N 2.74Å; F674-F678 VanDerWaalsContact O-CB 3.29Å; F674-F678 WeakPolarHBondContact O-CB 3.3Å; F674-F678 PolarHBondContact O-N 3.15Å
675I89.6Confident90.5Very high80 Ų8088.6 Ų88.641%0.4144%0.44SS..Hα-helixtrans-64.4-46.9-179.1-68.5166.1000110.8Y671 D672 T677 F678 I679Y671-I675 WeakPolarHBondContact O-CB 3.18Å; Y671-I675 VanDerWaalsContact O-CG1 3.28Å; Y671-I675 WeakPolarHBondContact O-CG1 3.43Å; Y671-I675 PolarHBondContact O-N 3.49Å; D672-I675 PolarHBondContact O-N 2.96Å; I675-T677 PolarHBondContact O-N 3.28Å; I675-F678 PolarHBondContact O-N 3.13Å; I675-I679 HydrophobicContact CG2-CD1 3.69Å; I675-I679 HydrophobicContact CG2-CG1 4.48Å; I675-I679 WeakPolarHBondContact O-CB 3.31Å; I675-I679 VanDerWaalsContact O-CG1 3.25Å; I675-I679 WeakPolarHBondContact O-CG1 3.45Å; I675-I679 PolarHBondContact O-N 3.11Å
676C89.8Confident90.3Very high78 Ų7884.6 Ų84.653%0.52743%0.432SS..Hα-helixtrans-62.7-40.6176.2-75.90000112.1D672 S680D672-C676 VanDerWaalsContact O-CB 3.25Å; D672-C676 WeakPolarHBondContact O-CB 3.27Å; D672-C676 PolarHBondContact O-N 3.21Å; D672-C676 PolarHBondContact O-SG 3Å; D672-C676 VanDerWaalsContact O-SG 3.34Å; C676-S680 VanDerWaalsContact O-CB 3.29Å; C676-S680 WeakPolarHBondContact O-CB 3.47Å; C676-S680 PolarHBondContact O-N 3.16Å; C676-S680 PolarHBondContact O-OG 2.95Å
677T92.2Very high90.1Very high75 Ų7581.6 Ų81.646%0.4643%0.425SS..Hα-helixtrans-65.1-48.8176.5-590000110.8E673 F674 I675 I679 S680 M681E673-T677 VanDerWaalsContact O-CB 3.26Å; E673-T677 WeakPolarHBondContact O-CB 3.28Å; E673-T677 PolarHBondContact O-N 3.21Å; E673-T677 PolarHBondContact O-OG1 2.78Å; F674-T677 PolarHBondContact O-N 2.74Å; I675-T677 PolarHBondContact O-N 3.28Å; T677-I679 PolarHBondContact O-N 3.2Å; T677-S680 WeakPolarHBondContact O-CB 3.29Å; T677-S680 PolarHBondContact O-N 2.72Å; T677-S680 VanDerWaalsContact O-N 3.1Å; T677-M681 HydrophobicContact CG2-SD 4.33Å; T677-M681 WeakPolarHBondContact O-CG 3.3Å; T677-M681 PolarHBondContact O-N 3.47Å
678F92.6Very high90Very high109 Ų10982.6 Ų82.648%0.47843%0.432SS..Hα-helixtrans-60.4-45.4178.8179.9-111.4000112.5F674 I675 S680 M681 L682F674-F678 VanDerWaalsContact O-CB 3.29Å; F674-F678 WeakPolarHBondContact O-CB 3.3Å; F674-F678 PolarHBondContact O-N 3.15Å; I675-F678 PolarHBondContact O-N 3.13Å; F678-S680 VanDerWaalsContact C-N 3.29Å; F678-S680 PolarHBondContact O-N 3.45Å; F678-M681 PolarHBondContact O-N 3.49Å; F678-L682 HydrophobicContact CD1-CD1 4.05Å; F678-L682 HydrophobicContact CE1-CD1 3.57Å; F678-L682 HydrophobicContact CE1-CG 4.36Å; F678-L682 HydrophobicContact CE2-CD1 4.46Å; F678-L682 HydrophobicContact CE2-CG 4.43Å; F678-L682 HydrophobicContact CZ-CD1 3.81Å; F678-L682 HydrophobicContact CZ-CD2 4.44Å; F678-L682 HydrophobicContact CZ-CG 4.24Å; F678-L682 WeakPolarHBondContact O-CG 3.48Å; F678-L682 PolarHBondContact O-N 3.43Å
679I91.9Very high89.6Confident77 Ų7783.9 Ų83.940%0.39545%0.447SS..Hα-helixtrans-62.9-37.5174.8-68.6169.7000110.9I675 T677 L682 A683 L688I675-I679 HydrophobicContact CG2-CD1 3.69Å; I675-I679 HydrophobicContact CG2-CG1 4.48Å; I675-I679 WeakPolarHBondContact O-CB 3.31Å; I675-I679 VanDerWaalsContact O-CG1 3.25Å; I675-I679 WeakPolarHBondContact O-CG1 3.45Å; I675-I679 PolarHBondContact O-N 3.11Å; T677-I679 PolarHBondContact O-N 3.2Å; I679-L682 PolarHBondContact O-N 2.83Å; I679-A683 WeakPolarHBondContact O-CB 3.34Å; I679-A683 PolarHBondContact O-N 2.64Å; I679-L688 HydrophobicContact CG2-CD1 4.43Å; I679-L688 HydrophobicContact CG2-CD2 3.89Å
680S91.2Very high89.3Confident62 Ų6283.2 Ų83.243%0.43445%0.448SS..Hα-helixtrans-67-40.3177.3-60.50000112.2C676 T677 F678 A683 Q684C676-S680 VanDerWaalsContact O-CB 3.29Å; C676-S680 WeakPolarHBondContact O-CB 3.47Å; C676-S680 PolarHBondContact O-N 3.16Å; C676-S680 PolarHBondContact O-OG 2.95Å; T677-S680 WeakPolarHBondContact O-CB 3.29Å; T677-S680 PolarHBondContact O-N 2.72Å; T677-S680 VanDerWaalsContact O-N 3.1Å; F678-S680 VanDerWaalsContact C-N 3.29Å; F678-S680 PolarHBondContact O-N 3.45Å; S680-A683 WeakPolarHBondContact O-CB 3.27Å; S680-A683 PolarHBondContact O-N 2.73Å; S680-Q684 VanDerWaalsContact O-CG 3.3Å; S680-Q684 WeakPolarHBondContact O-CG 3.15Å; S680-Q684 PolarHBondContact O-N 3.41Å
681M92.9Very high89.2Confident95 Ų9584.5 Ų84.547%0.46845%0.454SS..Hα-helixtrans-63.7-47.7173.4-68.7176.669.200111.3T677 F678 A683 Q684 E685T677-M681 HydrophobicContact CG2-SD 4.33Å; T677-M681 WeakPolarHBondContact O-CG 3.3Å; T677-M681 PolarHBondContact O-N 3.47Å; F678-M681 PolarHBondContact O-N 3.49Å; M681-A683 PolarHBondContact O-N 3.17Å; M681-Q684 PolarHBondContact O-N 3.48Å; M681-Q684 VanDerWaalsContact O-N 3.07Å; M681-E685 WeakPolarHBondContact O-CG 2.99Å; M681-E685 PolarHBondContact O-N 2.87Å
682L92.2Very high88.9Confident22 Ų2283.1 Ų83.112%0.11546%0.456CS..Hα-helixtrans-58.8-30.7175.1-70.1178.6000112.9F678 I679 G686 M687 L688F678-L682 HydrophobicContact CD1-CD1 4.05Å; F678-L682 HydrophobicContact CE1-CD1 3.57Å; F678-L682 HydrophobicContact CE1-CG 4.36Å; F678-L682 HydrophobicContact CE2-CD1 4.46Å; F678-L682 HydrophobicContact CE2-CG 4.43Å; F678-L682 HydrophobicContact CZ-CD1 3.81Å; F678-L682 HydrophobicContact CZ-CD2 4.44Å; F678-L682 HydrophobicContact CZ-CG 4.24Å; F678-L682 WeakPolarHBondContact O-CG 3.48Å; F678-L682 PolarHBondContact O-N 3.43Å; I679-L682 PolarHBondContact O-N 2.83Å; L682-G686 PolarHBondContact O-N 2.7Å; L682-M687 HydrophobicContact CD2-CB 4.37Å; L682-M687 HydrophobicContact CD2-CE 3.91Å; L682-M687 PolarHBondContact O-N 2.84Å; L682-L688 HydrophobicContact CB-CB 3.98Å; L682-L688 HydrophobicContact CB-CD1 4.46Å; L682-L688 WeakPolarHBondContact O-CB 3.35Å; L682-L688 PolarHBondContact O-N 3.45Å
683A91.3Very high88.6Confident54 Ų5486.6 Ų86.645%0.44647%0.47SS..Hα-helixtrans-73.3-42.7174.400000112.2I679 S680 M681 G686 L688I679-A683 WeakPolarHBondContact O-CB 3.34Å; I679-A683 PolarHBondContact O-N 2.64Å; S680-A683 WeakPolarHBondContact O-CB 3.27Å; S680-A683 PolarHBondContact O-N 2.73Å; M681-A683 PolarHBondContact O-N 3.17Å; A683-G686 PolarHBondContact O-N 2.94Å; A683-G686 VanDerWaalsContact O-N 3.14Å; A683-L688 HydrophobicContact CB-CB 4.42Å; A683-L688 HydrophobicContact CB-CD2 3.85Å
684Q91.1Very high88.2Confident160 Ų16085.7 Ų85.775%0.74847%0.466SS*.Hα-helixtrans-64.2-39.2176.8-71.6168.13.700112.2S680 M681 G686S680-Q684 VanDerWaalsContact O-CG 3.3Å; S680-Q684 WeakPolarHBondContact O-CG 3.15Å; S680-Q684 PolarHBondContact O-N 3.41Å; M681-Q684 PolarHBondContact O-N 3.48Å; M681-Q684 VanDerWaalsContact O-N 3.07Å; Q684-G686 PolarHBondContact O-N 3.44Å
685E91.7Very high87.4Confident122 Ų12284.2 Ų84.257%0.5746%0.464SS*.THydrogen-bonded Turntrans-78.41.1175.4-64.8178.8162.200113.1M681 M687M681-E685 WeakPolarHBondContact O-CG 2.99Å; M681-E685 PolarHBondContact O-N 2.87Å; E685-M687 HydrophobicContact CB-CE 4.23Å; E685-M687 HydrophobicContact CB-CG 4.42Å; E685-M687 PolarHBondContact O-N 3.02Å; E685-M687 WeakPolarHBondContact OE2-CE 3.24Å
686G89.1Confident86.7Confident42 Ų4283.9 Ų83.943%0.43346%0.462SS..SBendtrans70.3-6.6179.600000115.4L682 A683 Q684 L688L682-G686 PolarHBondContact O-N 2.7Å; A683-G686 PolarHBondContact O-N 2.94Å; A683-G686 VanDerWaalsContact O-N 3.14Å; Q684-G686 PolarHBondContact O-N 3.44Å; G686-L688 VanDerWaalsContact C-N 3.35Å; G686-L688 PolarHBondContact O-N 3.08Å
687M88.3Confident85.3Confident83 Ų8381.9 Ų81.941%0.40945%0.45SS..Hα-helixtrans-69.5-28.5-176.4-65.6-161.3-71.300113.6L682 E685 A689 N690 L691L682-M687 HydrophobicContact CD2-CB 4.37Å; L682-M687 HydrophobicContact CD2-CE 3.91Å; L682-M687 PolarHBondContact O-N 2.84Å; E685-M687 HydrophobicContact CB-CE 4.23Å; E685-M687 HydrophobicContact CB-CG 4.42Å; E685-M687 PolarHBondContact O-N 3.02Å; E685-M687 WeakPolarHBondContact OE2-CE 3.24Å; M687-A689 VanDerWaalsContact C-N 3.3Å; M687-A689 PolarHBondContact O-N 2.94Å; M687-N690 PolarHBondContact O-N 3.44Å; M687-N690 VanDerWaalsContact O-N 3.16Å; M687-L691 PolarHBondContact O-N 2.68Å
688L88.1Confident83.6Confident48 Ų4880.4 Ų80.425%0.25144%0.44SS..Hα-helixtrans-57.3-41.5-178.5-176.463.9000112.4I679 L682 A683 G686 N690 L691 V692I679-L688 HydrophobicContact CG2-CD1 4.43Å; I679-L688 HydrophobicContact CG2-CD2 3.89Å; L682-L688 HydrophobicContact CB-CB 3.98Å; L682-L688 HydrophobicContact CB-CD1 4.46Å; L682-L688 WeakPolarHBondContact O-CB 3.35Å; L682-L688 PolarHBondContact O-N 3.45Å; A683-L688 HydrophobicContact CB-CB 4.42Å; A683-L688 HydrophobicContact CB-CD2 3.85Å; G686-L688 VanDerWaalsContact C-N 3.35Å; G686-L688 PolarHBondContact O-N 3.08Å; L688-N690 VanDerWaalsContact C-N 3.34Å; L688-N690 PolarHBondContact O-N 3.49Å; L688-L691 PolarHBondContact O-N 2.96Å; L688-V692 HydrophobicContact CD1-CG2 4.05Å; L688-V692 HydrophobicContact CG-CG2 4.29Å; L688-V692 WeakPolarHBondContact O-CB 3.39Å; L688-V692 VanDerWaalsContact O-CG2 3.24Å; L688-V692 WeakPolarHBondContact O-CG2 3.4Å; L688-V692 PolarHBondContact O-N 2.7Å
689A82.6Confident81.7Confident66 Ų6681.4 Ų81.455%0.54544%0.441SS..Hα-helixtrans-61.1-44.3179.200000111.5M687 V692 E693M687-A689 VanDerWaalsContact C-N 3.3Å; M687-A689 PolarHBondContact O-N 2.94Å; A689-V692 PolarHBondContact O-N 2.83Å; A689-E693 WeakPolarHBondContact O-CB 3.28Å; A689-E693 PolarHBondContact O-N 2.72Å
690N83.1Confident79.9Confident95 Ų9586.7 Ų86.751%0.50846%0.456SS..Hα-helixtrans-65.9-45.1178.7-64.4-33.9000111.8M687 L688 V692 E693 Q694M687-N690 PolarHBondContact O-N 3.44Å; M687-N690 VanDerWaalsContact O-N 3.16Å; L688-N690 VanDerWaalsContact C-N 3.34Å; L688-N690 PolarHBondContact O-N 3.49Å; N690-V692 PolarHBondContact O-N 3.46Å; N690-E693 PolarHBondContact O-N 2.9Å; N690-Q694 WeakPolarHBondContact O-CB 3.22Å; N690-Q694 VanDerWaalsContact O-CG 3.22Å; N690-Q694 WeakPolarHBondContact O-CG 3.39Å; N690-Q694 PolarHBondContact O-N 2.99Å
691L83.1Confident78Confident78 Ų7892.9 Ų92.941%0.40847%0.47SS..Hα-helixtrans-61.3-43.2176.4-98.270.2000111.9M687 L688 N695M687-L691 PolarHBondContact O-N 2.68Å; L688-L691 PolarHBondContact O-N 2.96Å; L691-N695 PolarHBondContact O-N 3.27Å; L691-N695 VanDerWaalsContact O-N 3.12Å; L691-N695 PolarHBondContact O-ND2 2.89Å
692V83.3Confident76.1Confident71 Ų7192 Ų9243%0.4347%0.465SS..Hα-helixtrans-67.5-44.4179.2169.20000111L688 A689 N690 N695 I696L688-V692 HydrophobicContact CD1-CG2 4.05Å; L688-V692 HydrophobicContact CG-CG2 4.29Å; L688-V692 WeakPolarHBondContact O-CB 3.39Å; L688-V692 VanDerWaalsContact O-CG2 3.24Å; L688-V692 WeakPolarHBondContact O-CG2 3.4Å; L688-V692 PolarHBondContact O-N 2.7Å; A689-V692 PolarHBondContact O-N 2.83Å; N690-V692 PolarHBondContact O-N 3.46Å; V692-N695 PolarHBondContact O-N 3.49Å; V692-I696 HydrophobicContact CG1-CD1 3.6Å; V692-I696 HydrophobicContact CG1-CG1 4.39Å; V692-I696 WeakPolarHBondContact O-CB 3.41Å; V692-I696 VanDerWaalsContact O-CG1 3.28Å; V692-I696 WeakPolarHBondContact O-CG1 3.14Å; V692-I696 PolarHBondContact O-N 3.15Å
693E80.8Confident74.1Confident126 Ų12694 Ų9459%0.58949%0.491SS*.Hα-helixtrans-65.5-39.7177.7-178.5159.9-138.600112.4A689 N690 S697A689-E693 WeakPolarHBondContact O-CB 3.28Å; A689-E693 PolarHBondContact O-N 2.72Å; N690-E693 PolarHBondContact O-N 2.9Å; E693-S697 WeakPolarHBondContact O-CB 3.42Å; E693-S697 PolarHBondContact O-N 2.9Å; E693-S697 PolarHBondContact O-OG 3.14Å
694Q78.6Confident72.2Confident122 Ų12295.9 Ų95.957%0.5750%0.496SS*.Hα-helixtrans-57.8-52.6173.4-76.1172.67.200111.2N690 I696 S697 V698N690-Q694 WeakPolarHBondContact O-CB 3.22Å; N690-Q694 VanDerWaalsContact O-CG 3.22Å; N690-Q694 WeakPolarHBondContact O-CG 3.39Å; N690-Q694 PolarHBondContact O-N 2.99Å; Q694-I696 PolarHBondContact O-N 2.74Å; Q694-S697 PolarHBondContact O-N 2.97Å; Q694-S697 VanDerWaalsContact O-N 3.15Å; Q694-V698 WeakPolarHBondContact O-CG2 3.41Å; Q694-V698 PolarHBondContact O-N 3.49Å
695N71Confident69.9Low103 Ų10393.5 Ų93.555%0.55150%0.497SS*.Hα-helixtrans-66.7-38.8-177.3-79.6-83.8000113.1L691 V692 S697 R699L691-N695 PolarHBondContact O-N 3.27Å; L691-N695 VanDerWaalsContact O-N 3.12Å; L691-N695 PolarHBondContact O-ND2 2.89Å; V692-N695 PolarHBondContact O-N 3.49Å; N695-S697 VanDerWaalsContact C-N 3.31Å; N695-S697 PolarHBondContact O-N 3.41Å; N695-R699 PolarHBondContact O-N 3.12Å
696I75.8Confident67.8Low73 Ų7394.1 Ų94.137%0.37450%0.503SS..Hα-helixtrans-64.4-38172.6-68.7171.6000110.9V692 Q694 R700V692-I696 HydrophobicContact CG1-CD1 3.6Å; V692-I696 HydrophobicContact CG1-CG1 4.39Å; V692-I696 WeakPolarHBondContact O-CB 3.41Å; V692-I696 VanDerWaalsContact O-CG1 3.28Å; V692-I696 WeakPolarHBondContact O-CG1 3.14Å; V692-I696 PolarHBondContact O-N 3.15Å; Q694-I696 PolarHBondContact O-N 2.74Å; I696-R700 WeakPolarHBondContact O-CG 3.44Å; I696-R700 PolarHBondContact O-N 3.45Å
697S60.7Low65.6Low37 Ų3795.2 Ų95.226%0.25951%0.514SS..Hα-helixtrans-73-34.8-179.5-63.70000113.2E693 Q694 N695 R700 R701E693-S697 WeakPolarHBondContact O-CB 3.42Å; E693-S697 PolarHBondContact O-N 2.9Å; E693-S697 PolarHBondContact O-OG 3.14Å; Q694-S697 PolarHBondContact O-N 2.97Å; Q694-S697 VanDerWaalsContact O-N 3.15Å; N695-S697 VanDerWaalsContact C-N 3.31Å; N695-S697 PolarHBondContact O-N 3.41Å; S697-R700 PolarHBondContact O-N 3.31Å; S697-R701 PolarHBondContact O-N 3.17Å
698V57.3Low63.3Low44 Ų44102.8 Ų102.827%0.26754%0.538SS..Hα-helixtrans-60.6-52.2171.8169.30000110.2Q694 R700 R701 Q702Q694-V698 WeakPolarHBondContact O-CG2 3.41Å; Q694-V698 PolarHBondContact O-N 3.49Å; V698-R700 VanDerWaalsContact C-N 3.25Å; V698-R700 PolarHBondContact O-N 3.46Å; V698-R701 WeakPolarHBondContact O-CB 3.42Å; V698-R701 PolarHBondContact O-N 3.2Å; V698-Q702 PolarHBondContact O-N 3.38Å
699R52.7Low61.2Low129 Ų129108.3 Ų108.349%0.48757%0.567SS.*Hα-helixtrans-61.3-29.4178.5-80.8-177.1163.4178.8-5.5113.8E498 N695 R701 Q702E498-R699 IonicContact OE1-CZ 3.17Å; E498-R699 IonicContact OE1-NE 2.83Å; E498-R699 PolarHBondContact OE1-NE 2.93Å; E498-R699 IonicContact OE1-NH2 2.66Å; E498-R699 PolarHBondContact OE1-NH2 3.06Å; N695-R699 PolarHBondContact O-N 3.12Å; R699-R701 VanDerWaalsContact C-N 3.32Å; R699-R701 PolarHBondContact O-N 3.31Å; R699-Q702 PolarHBondContact O-N 2.81Å
700R52.3Low59.2Low188 Ų188113.6 Ų113.671%0.70958%0.58SS**Hα-helixtrans-65.1-29.5171.1-75.5179.8-171.3160.66.2113.6I696 S697 V698 Q702I696-R700 WeakPolarHBondContact O-CG 3.44Å; I696-R700 PolarHBondContact O-N 3.45Å; S697-R700 PolarHBondContact O-N 3.31Å; V698-R700 VanDerWaalsContact C-N 3.25Å; V698-R700 PolarHBondContact O-N 3.46Å; R700-Q702 VanDerWaalsContact C-N 3.34Å
701R52.2Low57.2Low193 Ų193118.3 Ų118.373%0.72860%0.596SS**Hα-helixtrans-75-24.2176.5-64.5-178.2-174.1-171.93112.6S697 V698 R699S697-R701 PolarHBondContact O-N 3.17Å; V698-R701 WeakPolarHBondContact O-CB 3.42Å; V698-R701 PolarHBondContact O-N 3.2Å; R699-R701 VanDerWaalsContact C-N 3.32Å; R699-R701 PolarHBondContact O-N 3.31Å
702Q52.7Low55.3Low77 Ų77123.3 Ų123.336%0.3662%0.617SS.*THydrogen-bonded Turntrans-94.410.6-175.1-59.8-178.9-68.300114.3A496 S497 V698 R699 R700 V704A496-Q702 PolarHBondContact O-NE2 2.88Å; A496-Q702 VanDerWaalsContact O-NE2 3.14Å; S497-Q702 PolarHBondContact O-NE2 3.07Å; S497-Q702 PolarHBondContact O-OE1 3.02Å; V698-Q702 PolarHBondContact O-N 3.38Å; R699-Q702 PolarHBondContact O-N 2.81Å; R700-Q702 VanDerWaalsContact C-N 3.34Å; Q702-V704 PolarHBondContact O-N 2.89Å
703G51.4Low53.1Low64 Ų64131.6 Ų131.666%0.6664%0.641SS**THydrogen-bonded Turntrans73-4.3173.400000116.3S705G703-S705 PolarHBondContact O-N 2.91Å
704V49.9Very low51.3Low93 Ų93134.9 Ų134.956%0.56465%0.653SS**  trans-69.492.4176.9-176.10000109.7Q702 I706Q702-V704 PolarHBondContact O-N 2.89Å; V704-I706 PolarHBondContact O-N 2.89Å
705S42.9Very low49.6Very low109 Ų109134.9 Ų134.976%0.76266%0.663SS**  trans-73101.4-176.763.80000111.5G703 G707G703-S705 PolarHBondContact O-N 2.91Å; S705-G707 PolarHBondContact O-N 3.37Å
706I48.4Very low48Very low136 Ų136137.2 Ų137.270%0.69768%0.676SS**  trans-51.7130.8161.1-71176000108.4V704 R708V704-I706 PolarHBondContact O-N 2.89Å; I706-R708 PolarHBondContact O-N 3.26Å
707G43.3Very low46.8Very low64 Ų64144.6 Ų144.666%0.6670%0.699SS**  trans-48.5126.1-173.900000112.2S705 L709S705-G707 PolarHBondContact O-N 3.37Å; G707-L709 PolarHBondContact O-N 3.07Å
708R39.6Very low46.2Very low242 Ų242153.6 Ų153.691%0.91373%0.728SS**  trans-67.290.7-169.1-164.8-174.7-156.3177.19.4111.3I706 H710I706-R708 PolarHBondContact O-N 3.26Å; R708-H710 PolarHBondContact O-N 3.27Å
709L43.8Very low45.6Very low164 Ų164161.8 Ų161.886%0.85976%0.76SS**  trans-49125.4-179.4-150.3159.3000109.7G707 K711G707-L709 PolarHBondContact O-N 3.07Å; L709-K711 PolarHBondContact O-N 2.88Å
710H40.9Very low45.1Very low177 Ų177167.5 Ų167.582%0.81978%0.781SS**  trans-69.296.3-155-134.992.3000111.9R708 Q712R708-H710 PolarHBondContact O-N 3.27Å; H710-Q712 PolarHBondContact O-N 3.03Å
711K41.4Very low44.5Very low195 Ų195164.1 Ų164.185%0.84879%0.786SS**  trans-63.2109.1178.8-169.8170-172.7170.70109.1L709 R713L709-K711 PolarHBondContact O-N 2.88Å; K711-R713 PolarHBondContact O-N 3.32Å; K711-R713 VanDerWaalsContact O-N 3.11Å
712Q42.3Very low43.9Very low183 Ų183166.4 Ų166.486%0.85580%0.795SS**  trans-45.5118.6-178.8-78.5-178.3-25.900111H710 K714H710-Q712 PolarHBondContact O-N 3.03Å; Q712-K714 PolarHBondContact O-N 3.11Å
713R37.4Very low43.8Very low245 Ų245168.6 Ų168.693%0.92582%0.816SS**PPolyproline II helixtrans-68.8120.6170.1-84.6-176.7159.8-170.2-5.6108.3K711K711-R713 PolarHBondContact O-N 3.32Å; K711-R713 VanDerWaalsContact O-N 3.11Å
714K41.7Very low43Very low195 Ų195176.1 Ų176.185%0.84883%0.826SS**PPolyproline II helixtrans-58.6143.2165.8-71.3-169174.5-172.60109.3Q712 D716Q712-K714 PolarHBondContact O-N 3.11Å; K714-D716 PolarHBondContact O-N 3.32Å
715P42.8Very low42.6Very low121 Ų121181.4 Ų181.479%0.78684%0.841SS**PPolyproline II helixtrans-67.5122.6-178.126.7-34.2000111.1R717P715-R717 PolarHBondContact O-N 3.3Å
716D39.4Very low42.6Very low153 Ų153180.1 Ų180.182%0.81884%0.837SS**  trans-80.4105.6-178.2-171.6-2.7000111.4K714 R718K714-D716 PolarHBondContact O-N 3.32Å; D716-R718 PolarHBondContact O-N 3.02Å
717R50.2Low42.2Very low228 Ų228183.2 Ų183.286%0.8685%0.846SS**  trans-77.181174.3-72.5178.971.7-166.26.6110.7P715P715-R717 PolarHBondContact O-N 3.3Å
718R48.3Very low42.1Very low226 Ų226191.4 Ų191.485%0.85386%0.857SS**  trans167.1118.3135.5-89.9149-178.8-175.8-0.2113.4D716D716-R718 PolarHBondContact O-N 3.02Å
719K43Very low42Very low216 Ų216192.1 Ų192.194%0.93987%0.87SS**  -158.6135126.3-104.5143.2-172.5172.10109.9
720R42.9Very low42Very low248 Ų248193.5 Ų193.594%0.93687%0.871SS**  trans-75.3146.5179.1-80.2178166.9169.8-6.3110.1
721S40.3Very low42Very low117 Ų117194.4 Ų194.482%0.81887%0.874SS**  trans-61.9148.3167.744.20000111.8
722R39.8Very low42Very low241 Ų241194.3 Ų194.391%0.90988%0.875SS**  trans-113135155.3-87.3-175.9162.5-173.5-5.1107.5
723P50.4Low42Very low124 Ų124195 Ų19581%0.80588%0.876SS**  trans-76.4154-171.630.4-35.4000113
724Y35.3Very low42.3Very low221 Ų221191.9 Ų191.987%0.86787%0.873SS**  trans-70.8125.7177.7-164-97.2000110.5
725K40.6Very low42.4Very low204 Ų204191.7 Ų191.789%0.88788%0.875SS**  trans-91.5109.4166.2-89.5-163.9172.8-170.20109.1
726A41.8Very low42.3Very low82 Ų82196.7 Ų196.768%0.67888%0.881SS**  trans-65.3139.8165.100000110.1
727K40.3Very low42.6Very low202 Ų202200.1 Ų200.188%0.87889%0.886SS**  trans-90.2135158.2-93.3-165.7169.6-164.90108.7
728R41.2Very low41.9Very low236 Ų236197.8 Ų197.889%0.89189%0.888SS**  trans-146.4121.9167.6-167.8-177.5-168.1-152.23.4106.2
729Q39.3Very low41.3Very low256 Ų256195.2 Ų195.2100%1.19689%0.891SS**  trans66.80-159.1-59.3173.4-2500112.5

Retrieved 729 of 729 residues in 2426 ms (Link to these results)

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