A0A3Q0KN76_SCHMA Loading...

Replication factor C subunit 2

AlphaFold DB , UniProt , Accession A0A3Q0KN76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 318 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
1M51.9Low87.9Confident246 Ų24677.3 Ų77.3100%1.21239%0.386SS*.  0131.90-77.7172.9-17700106.9
2E73.6Confident88.3Confident149 Ų14979.9 Ų79.970%0.69640%0.401SS*.PPolyproline II helixtrans-61.8149.2168.9-66.8-169.216700109.5
3S83.9Confident88.7Confident60 Ų6082.5 Ų82.542%0.4241%0.41SS..PPolyproline II helixtrans-65140.7179-170.20000109.6W5 E7S3-W5 PolarHBondContact O-N 3.35Å; S3-E7 WeakPolarHBondContact OG-CB 3.4Å
4P93.2Very high89Confident68 Ų6876.7 Ų76.744%0.44238%0.382SS..PPolyproline II helixtrans-49.7140.5172.4-26.134.1000111V6 E7 K8P4-V6 PolarHBondContact O-N 3.09Å; P4-V6 VanDerWaalsContact O-N 3.14Å; P4-E7 WeakPolarHBondContact O-CA 3.41Å; P4-E7 PolarHBondContact O-N 3.17Å; P4-K8 PolarHBondContact O-N 3.28Å
5W95.7Very high89.2Confident6 Ų680.3 Ų80.32%0.02340%0.397CS..Hα-helixtrans-60.7-30.2-173.8-72.2-0.4000113.1S3 E7 K8 Y9 V172 E176 V178 L203 Q204 H207S3-W5 PolarHBondContact O-N 3.35Å; W5-E7 PolarHBondContact O-N 3.46Å; W5-K8 PolarHBondContact O-N 3Å; W5-Y9 HydrophobicContact CB-CD2 4Å; W5-Y9 HydrophobicContact CB-CE2 4.39Å; W5-Y9 HydrophobicContact CG-CD2 4.32Å; W5-Y9 HydrophobicContact CG-CE2 4.22Å; W5-Y9 WeakPolarHBondContact O-CB 3.32Å; W5-Y9 WeakPolarHBondContact O-CD2 3.41Å; W5-Y9 PolarHBondContact O-N 3.26Å; W5-V172 HydrophobicContact CD2-CG1 4.34Å; W5-V172 HydrophobicContact CE3-CG1 3.85Å; W5-V172 HydrophobicContact CZ3-CG1 4.28Å; W5-E176 HydrophobicContact CD2-CG 4.1Å; W5-E176 HydrophobicContact CE3-CG 4.47Å; W5-E176 HydrophobicContact CH2-CB 3.86Å; W5-E176 HydrophobicContact CH2-CG 3.97Å; W5-E176 HydrophobicContact CZ2-CB 3.63Å; W5-E176 HydrophobicContact CZ2-CG 3.51Å; W5-E176 HydrophobicContact CZ3-CG 4.4Å; W5-V178 HydrophobicContact CH2-CG2 3.46Å; W5-V178 VanDerWaalsContact CH2-CG2 3.46Å; W5-V178 HydrophobicContact CZ2-CG2 4.46Å; W5-V178 HydrophobicContact CZ3-CG2 3.92Å; W5-L203 HydrophobicContact CE3-CD2 4.16Å; W5-L203 HydrophobicContact CE3-CG 4.45Å; W5-L203 HydrophobicContact CZ3-CB 4.35Å; W5-L203 HydrophobicContact CZ3-CD2 3.78Å; W5-L203 HydrophobicContact CZ3-CG 3.84Å; W5-Q204 HydrophobicContact CB-CB 4.44Å; W5-Q204 HydrophobicContact CD2-CB 3.72Å; W5-Q204 HydrophobicContact CD2-CG 3.76Å; W5-Q204 HydrophobicContact CE3-CB 3.52Å; W5-Q204 HydrophobicContact CE3-CG 4.06Å; W5-Q204 HydrophobicContact CG-CB 4.15Å; W5-Q204 HydrophobicContact CG-CG 4.06Å; W5-Q204 HydrophobicContact CH2-CB 4.46Å; W5-Q204 HydrophobicContact CZ2-CG 4.3Å; W5-Q204 VanDerWaalsContact CZ3-CA 3.5Å; W5-Q204 HydrophobicContact CZ3-CB 3.93Å; W5-Q204 HydrophobicContact CZ3-CG 4.43Å; W5-H207 HydrophobicContact CH2-CB 4.19Å; W5-H207 AromaticContact CH2-CD2 3.85Å
6V94.3Very high89.4Confident17 Ų1780 Ų8010%0.10340%0.397CS..Hα-helixtrans-54.9-38.8170.7169.70000112.5P4 R10 R197 L200 N201P4-V6 PolarHBondContact O-N 3.09Å; P4-V6 VanDerWaalsContact O-N 3.14Å; V6-R10 WeakPolarHBondContact O-CB 3.36Å; V6-R10 PolarHBondContact O-N 3.37Å; V6-R197 HydrophobicContact CG1-CG 3.84Å; V6-R197 HydrophobicContact CG2-CG 3.9Å; V6-R197 WeakPolarHBondContact CG2-O 3.41Å; V6-L200 HydrophobicContact CG2-CB 3.88Å; V6-N201 WeakPolarHBondContact CG2-OD1 3.27Å
7E93.3Very high89.7Confident82 Ų8276.4 Ų76.438%0.38338%0.38SS..Hα-helixtrans-84.9-43.1177.2-63.5-49.9123.700111.8S3 P4 W5 Y9 R10S3-E7 WeakPolarHBondContact OG-CB 3.4Å; P4-E7 WeakPolarHBondContact O-CA 3.41Å; P4-E7 PolarHBondContact O-N 3.17Å; W5-E7 PolarHBondContact O-N 3.46Å; E7-Y9 VanDerWaalsContact C-N 3.28Å; E7-Y9 PolarHBondContact O-N 3.06Å; E7-R10 WeakPolarHBondContact O-CB 3.36Å; E7-R10 PolarHBondContact O-N 2.71Å; E7-R10 IonicContact OE1-CZ 3.5Å; E7-R10 IonicContact OE1-NE 3.81Å; E7-R10 IonicContact OE1-NH2 2.64Å; E7-R10 PolarHBondContact OE1-NH2 2.59Å; E7-R10 IonicContact OE2-CZ 3.15Å; E7-R10 IonicContact OE2-NE 2.85Å; E7-R10 PolarHBondContact OE2-NE 3.47Å; E7-R10 IonicContact OE2-NH1 2.76Å; E7-R10 IonicContact OE2-NH2 3.28Å; E7-R10 PolarHBondContact OE2-NH2 3.01Å
8K94.9Very high89.9Confident96 Ų9674.4 Ų74.442%0.41737%0.373SS..Hα-helixtrans-56.5-42.4178.4-173178-179.7178.40111.9P4 W5 E176P4-K8 PolarHBondContact O-N 3.28Å; W5-K8 PolarHBondContact O-N 3Å; K8-E176 WeakPolarHBondContact CD-OE1 2.99Å; K8-E176 WeakPolarHBondContact CE-OE1 3.49Å; K8-E176 VanDerWaalsContact NZ-CD 3.27Å; K8-E176 IonicContact NZ-OE1 3.73Å; K8-E176 PolarHBondContact NZ-OE1 2.93Å; K8-E176 IonicContact NZ-OE2 3.85Å; K8-E176 PolarHBondContact NZ-OE2 2.86Å; K8-E176 VanDerWaalsContact NZ-OE2 3.08Å
9Y95.1Very high90.1Very high31 Ų3170.8 Ų70.812%0.12236%0.356CS..THydrogen-bonded Turntrans-10214.2-178.4-68.2-73.3000113.7W5 E7 P11 R168 V172 F175 E176W5-Y9 HydrophobicContact CB-CD2 4Å; W5-Y9 HydrophobicContact CB-CE2 4.39Å; W5-Y9 HydrophobicContact CG-CD2 4.32Å; W5-Y9 HydrophobicContact CG-CE2 4.22Å; W5-Y9 WeakPolarHBondContact O-CB 3.32Å; W5-Y9 WeakPolarHBondContact O-CD2 3.41Å; W5-Y9 PolarHBondContact O-N 3.26Å; E7-Y9 VanDerWaalsContact C-N 3.28Å; E7-Y9 PolarHBondContact O-N 3.06Å; Y9-P11 WeakPolarHBondContact O-CD 3.29Å; Y9-R168 PolarHBondContact O-NH2 3.22Å; Y9-V172 HydrophobicContact CD1-CG2 3.92Å; Y9-V172 HydrophobicContact CD2-CG1 3.89Å; Y9-V172 HydrophobicContact CD2-CG2 3.91Å; Y9-V172 HydrophobicContact CE1-CG2 4.18Å; Y9-V172 HydrophobicContact CE2-CB 4.43Å; Y9-V172 HydrophobicContact CE2-CG1 3.61Å; Y9-V172 HydrophobicContact CE2-CG2 4.18Å; Y9-V172 HydrophobicContact CG-CG2 3.78Å; Y9-F175 HydrophobicContact CE1-CB 4.31Å; Y9-F175 AromaticContact CE1-CD2 3.81Å; Y9-F175 HydrophobicContact CE1-CD2 3.81Å; Y9-F175 HydrophobicContact CE1-CG 4.47Å; Y9-F175 WeakPolarHBondContact OH-CB 3.43Å; Y9-E176 HydrophobicContact CE2-CG 3.98Å; Y9-E176 WeakPolarHBondContact CE2-OE1 3.17Å; Y9-E176 VanDerWaalsContact OH-CD 3.25Å; Y9-E176 WeakPolarHBondContact OH-CG 3.49Å; Y9-E176 PolarHBondContact OH-OE1 3.39Å
10R95.3Very high90.2Very high68 Ų6868.7 Ų68.726%0.25735%0.345SS..  trans-63.2124.7175.7-170.9-177.9-78.5-152.3-1.3109.1V6 E7 I12 T51V6-R10 WeakPolarHBondContact O-CB 3.36Å; V6-R10 PolarHBondContact O-N 3.37Å; E7-R10 WeakPolarHBondContact O-CB 3.36Å; E7-R10 PolarHBondContact O-N 2.71Å; E7-R10 IonicContact OE1-CZ 3.5Å; E7-R10 IonicContact OE1-NE 3.81Å; E7-R10 IonicContact OE1-NH2 2.64Å; E7-R10 PolarHBondContact OE1-NH2 2.59Å; E7-R10 IonicContact OE2-CZ 3.15Å; E7-R10 IonicContact OE2-NE 2.85Å; E7-R10 PolarHBondContact OE2-NE 3.47Å; E7-R10 IonicContact OE2-NH1 2.76Å; E7-R10 IonicContact OE2-NH2 3.28Å; E7-R10 PolarHBondContact OE2-NH2 3.01Å; R10-I12 PolarHBondContact O-N 3.01Å; R10-T51 HydrophobicContact CG-CG2 3.81Å
11P95.4Very high90.3Very high27 Ų2771.7 Ų71.718%0.17536%0.358CS..  trans-46.8138.3174.7-32.434.9000113.3Y9 D16 I17 T51 C55Y9-P11 WeakPolarHBondContact O-CD 3.29Å; P11-D16 HydrophobicContact CB-CB 3.69Å; P11-D16 HydrophobicContact CG-CB 4.4Å; P11-I17 HydrophobicContact CB-CG1 3.81Å; P11-I17 HydrophobicContact CG-CG1 4.27Å; P11-T51 HydrophobicContact CB-CG2 3.72Å; P11-T51 HydrophobicContact CG-CG2 3.99Å; P11-C55 PolarHBondContact O-SG 2.87Å; P11-C55 VanDerWaalsContact O-SG 3.41Å
12I92.5Very high92.2Very high109 Ų10966.4 Ų66.456%0.55934%0.335SS*.  trans-107-39.7179.7-58.3177000110.1R10 D16 C55R10-I12 PolarHBondContact O-N 3.01Å; I12-D16 PolarHBondContact N-OD2 3.23Å; I12-C55 PolarHBondContact O-SG 3.48Å
13E93.5Very high93.1Very high113 Ų11360 Ų6053%0.52831%0.306SS..SBendtrans-101.8167.8176-54.6-165.8155.400110.8E15 D16 C55E13-E15 VanDerWaalsContact C-N 3.27Å; E13-E15 WeakPolarHBondContact CB-OE2 3.34Å; E13-D16 PolarHBondContact N-OD2 2.91Å; E13-C55 PolarHBondContact O-SG 3.33Å
14L92.7Very high93.5Very high2 Ų257.9 Ų57.91%0.0129%0.29CS..SBendtrans-72.3-30.6179.3-77172.5000111D16 I17 I24 L27 A31 C55 L56L14-D16 VanDerWaalsContact C-N 3.28Å; L14-D16 PolarHBondContact O-N 2.98Å; L14-I17 HydrophobicContact CD2-CD1 3.77Å; L14-I17 WeakPolarHBondContact O-CB 3.47Å; L14-I17 WeakPolarHBondContact O-CG1 3.42Å; L14-I17 PolarHBondContact O-N 3.14Å; L14-I24 HydrophobicContact CB-CG2 4.32Å; L14-I24 WeakPolarHBondContact O-CG2 3.45Å; L14-L27 HydrophobicContact CD1-CB 4.2Å; L14-L27 HydrophobicContact CD2-CB 4.22Å; L14-L27 HydrophobicContact CD2-CD1 4.22Å; L14-A31 HydrophobicContact CD1-CB 4.29Å; L14-C55 HydrophobicContact CD2-CB 3.76Å; L14-C55 HydrophobicContact CG-CB 4.04Å; L14-L56 HydrophobicContact CD1-CD1 4.36Å; L14-L56 HydrophobicContact CD2-CB 4.37Å
15E92.5Very high93.5Very high131 Ų13158.5 Ų58.561%0.61230%0.295SS*.THydrogen-bonded Turntrans-68.9-26.8180-63.970.7-157.600112.1E13 I17E13-E15 VanDerWaalsContact C-N 3.27Å; E13-E15 WeakPolarHBondContact CB-OE2 3.34Å; E15-I17 PolarHBondContact O-N 2.98Å
16D93.2Very high93.2Very high75 Ų7565.1 Ų65.140%0.40132%0.32SS..THydrogen-bonded Turntrans-73.5-11.2175.8-63.5-30.3000112.8P11 I12 E13 L14 V18P11-D16 HydrophobicContact CB-CB 3.69Å; P11-D16 HydrophobicContact CG-CB 4.4Å; I12-D16 PolarHBondContact N-OD2 3.23Å; E13-D16 PolarHBondContact N-OD2 2.91Å; L14-D16 VanDerWaalsContact C-N 3.28Å; L14-D16 PolarHBondContact O-N 2.98Å; D16-V18 PolarHBondContact O-N 3.36Å
17I94.3Very high93.2Very high19 Ų1964.3 Ų64.310%0.09732%0.315CS..  trans-79.9123-173.4-59.7166.1000110P11 L14 E15 I24 C55P11-I17 HydrophobicContact CB-CG1 3.81Å; P11-I17 HydrophobicContact CG-CG1 4.27Å; L14-I17 HydrophobicContact CD2-CD1 3.77Å; L14-I17 WeakPolarHBondContact O-CB 3.47Å; L14-I17 WeakPolarHBondContact O-CG1 3.42Å; L14-I17 PolarHBondContact O-N 3.14Å; E15-I17 PolarHBondContact O-N 2.98Å; I17-I24 HydrophobicContact CB-CD1 4.01Å; I17-I24 HydrophobicContact CB-CG1 4.33Å; I17-I24 HydrophobicContact CD1-CD1 3.78Å; I17-I24 HydrophobicContact CG2-CD1 3.73Å; I17-I24 HydrophobicContact CG2-CG1 4.17Å; I17-C55 HydrophobicContact CD1-CB 4.2Å
18V92.9Very high93Very high41 Ų4162.1 Ų62.125%0.24831%0.309CS..  trans-78.8124.8178.8-179.50000110.7D16 L160 Q164 M196D16-V18 PolarHBondContact O-N 3.36Å; V18-L160 HydrophobicContact CG1-CD1 4.32Å; V18-L160 WeakPolarHBondContact O-CD2 3.43Å; V18-Q164 HydrophobicContact CG1-CB 3.7Å; V18-Q164 HydrophobicContact CG1-CG 4.16Å; V18-M196 HydrophobicContact CB-CE 4.24Å; V18-M196 HydrophobicContact CG1-CE 4.06Å; V18-M196 HydrophobicContact CG2-CE 4.43Å
19G93.1Very high92.8Very high5 Ų560 Ų605%0.05230%0.304CS..SBendtrans72-173.7173.300000114.9E21 Q164G19-E21 PolarHBondContact O-N 3.07Å; G19-Q164 VanDerWaalsContact CA-NE2 3.32Å
20N93.2Very high92.4Very high28 Ų2860.8 Ų60.815%0.1531%0.308CS..  trans52.635.9-172.4-65.3-76.9000113.1N22 T23 I24 Y157 A158N20-N22 VanDerWaalsContact C-N 3.3Å; N20-N22 PolarHBondContact O-N 2.86Å; N20-N22 VanDerWaalsContact O-N 3.15Å; N20-T23 WeakPolarHBondContact O-CA 3.3Å; N20-T23 WeakPolarHBondContact O-CB 3.33Å; N20-T23 PolarHBondContact O-N 2.99Å; N20-I24 PolarHBondContact O-N 2.74Å; N20-Y157 HydrophobicContact CB-CD1 3.93Å; N20-Y157 HydrophobicContact CB-CE1 3.95Å; N20-Y157 HydrophobicContact CB-CG 4.35Å; N20-Y157 WeakPolarHBondContact ND2-CD1 3.47Å; N20-Y157 WeakPolarHBondContact OD1-CA 3.42Å; N20-A158 PolarHBondContact ND2-O 3.23Å; N20-A158 PolarHBondContact OD1-N 2.86Å
21E92.9Very high92.1Very high133 Ų13358 Ų5862%0.62130%0.299SS*.Hα-helixtrans-51.8-42.3-169.6-67140.8-152.400113.7G19 T23 I24 C25 Q164G19-E21 PolarHBondContact O-N 3.07Å; E21-T23 VanDerWaalsContact C-N 3.26Å; E21-T23 PolarHBondContact O-N 3.08Å; E21-I24 PolarHBondContact O-N 3.33Å; E21-C25 VanDerWaalsContact O-CB 3.29Å; E21-C25 WeakPolarHBondContact O-CB 3.49Å; E21-C25 PolarHBondContact O-N 2.77Å; E21-Q164 PolarHBondContact OE1-NE2 3.08Å
22N90.3Very high91.6Very high134 Ų13465 Ų6572%0.71732%0.322SS*.Hα-helixtrans-59.9-38.1176.8-72.1-34.1000112.4N20 R26N20-N22 VanDerWaalsContact C-N 3.3Å; N20-N22 PolarHBondContact O-N 2.86Å; N20-N22 VanDerWaalsContact O-N 3.15Å; N22-R26 WeakPolarHBondContact O-CG 3.29Å; N22-R26 PolarHBondContact O-N 3.46Å
23T92.1Very high91.2Very high14 Ų1464.7 Ų64.79%0.08632%0.321CS..Hα-helixtrans-75.5-42178.9-59.30000110.8N20 E21 C25 R26 L27 L155 R156 Y157N20-T23 WeakPolarHBondContact O-CA 3.3Å; N20-T23 WeakPolarHBondContact O-CB 3.33Å; N20-T23 PolarHBondContact O-N 2.99Å; E21-T23 VanDerWaalsContact C-N 3.26Å; E21-T23 PolarHBondContact O-N 3.08Å; T23-C25 VanDerWaalsContact C-N 3.32Å; T23-C25 PolarHBondContact O-N 3.22Å; T23-R26 WeakPolarHBondContact O-CB 3.29Å; T23-R26 PolarHBondContact O-N 3.39Å; T23-L27 WeakPolarHBondContact O-CG 3.48Å; T23-L27 PolarHBondContact O-N 2.95Å; T23-L155 HydrophobicContact CG2-CB 3.68Å; T23-L155 HydrophobicContact CG2-CD1 3.96Å; T23-L155 HydrophobicContact CG2-CD2 4.27Å; T23-L155 HydrophobicContact CG2-CG 4.18Å; T23-R156 PolarHBondContact OG1-O 3.34Å; T23-Y157 HydrophobicContact CG2-CD2 3.98Å; T23-Y157 HydrophobicContact CG2-CE2 3.27Å
24I93.8Very high90.4Very high17 Ų1759.5 Ų59.59%0.08730%0.298CS..Hα-helixtrans-59.7-44173.9-59.3-51.2000110.8L14 I17 N20 E21 R26 L27 S28 Y157L14-I24 HydrophobicContact CB-CG2 4.32Å; L14-I24 WeakPolarHBondContact O-CG2 3.45Å; I17-I24 HydrophobicContact CB-CD1 4.01Å; I17-I24 HydrophobicContact CB-CG1 4.33Å; I17-I24 HydrophobicContact CD1-CD1 3.78Å; I17-I24 HydrophobicContact CG2-CD1 3.73Å; I17-I24 HydrophobicContact CG2-CG1 4.17Å; N20-I24 PolarHBondContact O-N 2.74Å; E21-I24 PolarHBondContact O-N 3.33Å; I24-R26 VanDerWaalsContact C-N 3.31Å; I24-R26 PolarHBondContact O-N 3.28Å; I24-L27 HydrophobicContact CD1-CD1 4.25Å; I24-L27 CarbonylContact O-C 3.5Å; I24-L27 WeakPolarHBondContact O-CA 3.48Å; I24-L27 WeakPolarHBondContact O-CB 3.38Å; I24-L27 PolarHBondContact O-N 2.82Å; I24-S28 PolarHBondContact O-N 3.09Å; I24-S28 PolarHBondContact O-OG 2.68Å; I24-S28 VanDerWaalsContact O-OG 3.13Å; I24-Y157 VanDerWaalsContact CD1-OH 3.24Å; I24-Y157 WeakPolarHBondContact CD1-OH 3.45Å
25C91.7Very high89.7Confident80 Ų8064.6 Ų64.654%0.54133%0.325SS..Hα-helixtrans-56.4-43.7175.6-1760000112.1E21 T23 L27 S28 V29E21-C25 VanDerWaalsContact O-CB 3.29Å; E21-C25 WeakPolarHBondContact O-CB 3.49Å; E21-C25 PolarHBondContact O-N 2.77Å; T23-C25 VanDerWaalsContact C-N 3.32Å; T23-C25 PolarHBondContact O-N 3.22Å; C25-L27 PolarHBondContact O-N 2.79Å; C25-S28 PolarHBondContact O-N 2.88Å; C25-V29 WeakPolarHBondContact O-CG2 3.32Å; C25-V29 PolarHBondContact O-N 3.42Å
26R91.2Very high89.5Confident146 Ų14658.5 Ų58.555%0.55130%0.297SS*.Hα-helixtrans-62.7-41.1174.9-69.8175-176.4-169.11.4112.2N22 T23 I24 V29 F30N22-R26 WeakPolarHBondContact O-CG 3.29Å; N22-R26 PolarHBondContact O-N 3.46Å; T23-R26 WeakPolarHBondContact O-CB 3.29Å; T23-R26 PolarHBondContact O-N 3.39Å; I24-R26 VanDerWaalsContact C-N 3.31Å; I24-R26 PolarHBondContact O-N 3.28Å; R26-V29 PolarHBondContact O-N 3.41Å; R26-F30 VanDerWaalsContact O-CD2 3.32Å; R26-F30 WeakPolarHBondContact O-CD2 3.23Å; R26-F30 WeakPolarHBondContact O-CG 3.38Å; R26-F30 PolarHBondContact O-N 3.09Å; R26-F30 VanDerWaalsContact O-N 3.11Å
27L92.4Very high89.4Confident0 Ų056.8 Ų56.80%029%0.29CS..Hα-helixtrans-63.4-41.9175.6-66178000111.5L14 T23 I24 C25 V29 F30 A31 I39 I41 L56 L155L14-L27 HydrophobicContact CD1-CB 4.2Å; L14-L27 HydrophobicContact CD2-CB 4.22Å; L14-L27 HydrophobicContact CD2-CD1 4.22Å; T23-L27 WeakPolarHBondContact O-CG 3.48Å; T23-L27 PolarHBondContact O-N 2.95Å; I24-L27 HydrophobicContact CD1-CD1 4.25Å; I24-L27 CarbonylContact O-C 3.5Å; I24-L27 WeakPolarHBondContact O-CA 3.48Å; I24-L27 WeakPolarHBondContact O-CB 3.38Å; I24-L27 PolarHBondContact O-N 2.82Å; C25-L27 PolarHBondContact O-N 2.79Å; L27-V29 VanDerWaalsContact C-N 3.31Å; L27-V29 PolarHBondContact O-N 3.16Å; L27-F30 HydrophobicContact CD2-CD2 4.38Å; L27-F30 PolarHBondContact O-N 3.31Å; L27-A31 WeakPolarHBondContact O-CB 3.44Å; L27-A31 PolarHBondContact O-N 2.65Å; L27-I39 HydrophobicContact CD2-CD1 4.07Å; L27-I41 HydrophobicContact CD1-CD1 4.31Å; L27-L56 HydrophobicContact CD2-CD2 3.81Å; L27-L56 WeakPolarHBondContact O-CD1 3.39Å; L27-L155 HydrophobicContact CD2-CD1 3.5Å; L27-L155 VanDerWaalsContact CD2-CD1 3.5Å; L27-L155 HydrophobicContact CG-CD1 4.08Å
28S91Very high89.5Confident36 Ų3656.6 Ų56.625%0.25229%0.289SS..Hα-helixtrans-63.2-36.4176.6-56.30000112.2I24 C25 A31 R32I24-S28 PolarHBondContact O-N 3.09Å; I24-S28 PolarHBondContact O-OG 2.68Å; I24-S28 VanDerWaalsContact O-OG 3.13Å; C25-S28 PolarHBondContact O-N 2.88Å; S28-A31 WeakPolarHBondContact O-CB 3.33Å; S28-A31 PolarHBondContact O-N 2.83Å; S28-R32 PolarHBondContact O-N 2.94Å
29V89.3Confident89.7Confident51 Ų5154.6 Ų54.631%0.30928%0.277SS..Hα-helixtrans-62.1-48172172.10000110.9C25 R26 L27 A31 R32 D33C25-V29 WeakPolarHBondContact O-CG2 3.32Å; C25-V29 PolarHBondContact O-N 3.42Å; R26-V29 PolarHBondContact O-N 3.41Å; L27-V29 VanDerWaalsContact C-N 3.31Å; L27-V29 PolarHBondContact O-N 3.16Å; V29-A31 VanDerWaalsContact C-N 3.28Å; V29-A31 PolarHBondContact O-N 3.23Å; V29-R32 PolarHBondContact O-N 2.96Å; V29-D33 PolarHBondContact O-N 2.76Å
30F87.6Confident89.9Confident47 Ų4754.4 Ų54.421%0.20628%0.275CS..Hα-helixtrans-61.6-37.1176-60.6-37.5000112.6R26 L27 R32 G34 L36 P37 I39R26-F30 VanDerWaalsContact O-CD2 3.32Å; R26-F30 WeakPolarHBondContact O-CD2 3.23Å; R26-F30 WeakPolarHBondContact O-CG 3.38Å; R26-F30 PolarHBondContact O-N 3.09Å; R26-F30 VanDerWaalsContact O-N 3.11Å; L27-F30 HydrophobicContact CD2-CD2 4.38Å; L27-F30 PolarHBondContact O-N 3.31Å; F30-R32 VanDerWaalsContact C-N 3.32Å; F30-R32 PolarHBondContact O-N 2.96Å; F30-G34 PolarHBondContact O-N 3.5Å; F30-G34 VanDerWaalsContact O-N 3.08Å; F30-L36 HydrophobicContact CB-CD1 3.79Å; F30-L36 HydrophobicContact CD2-CD1 4.12Å; F30-L36 HydrophobicContact CG-CD1 4.16Å; F30-P37 HydrophobicContact CD1-CG 4.34Å; F30-P37 HydrophobicContact CE1-CG 3.9Å; F30-P37 HydrophobicContact CE2-CG 4.11Å; F30-P37 HydrophobicContact CZ-CG 3.77Å; F30-I39 HydrophobicContact CE2-CG2 4.42Å
31A87.5Confident90.1Very high9 Ų953 Ų537%0.07427%0.268CS..Hα-helixtrans-62.2-39.7177.800000112.4L14 L27 S28 V29 L56 T59 L60 R101L14-A31 HydrophobicContact CD1-CB 4.29Å; L27-A31 WeakPolarHBondContact O-CB 3.44Å; L27-A31 PolarHBondContact O-N 2.65Å; S28-A31 WeakPolarHBondContact O-CB 3.33Å; S28-A31 PolarHBondContact O-N 2.83Å; V29-A31 VanDerWaalsContact C-N 3.28Å; V29-A31 PolarHBondContact O-N 3.23Å; A31-L56 HydrophobicContact CB-CD1 3.81Å; A31-T59 HydrophobicContact CB-CG2 4.02Å; A31-L60 HydrophobicContact CB-CD2 4.49Å; A31-L60 WeakPolarHBondContact O-CD2 3.4Å; A31-R101 PolarHBondContact O-NH2 3.18Å
32R85.6Confident90.2Very high175 Ų17546.9 Ų46.966%0.6624%0.24SC*.Hα-helixtrans-73.4-51.7179-175-176.764-150-3111.9S28 V29 F30 G34S28-R32 PolarHBondContact O-N 2.94Å; V29-R32 PolarHBondContact O-N 2.96Å; F30-R32 VanDerWaalsContact C-N 3.32Å; F30-R32 PolarHBondContact O-N 2.96Å; R32-G34 VanDerWaalsContact C-N 3.27Å; R32-G34 PolarHBondContact O-N 3.36Å
33D84.5Confident90.5Very high102 Ų10241 Ų4155%0.54521%0.211SC..Hα-helixtrans-77.5-15.1-170.7-59.8-5000112.3V29 N35V29-D33 PolarHBondContact O-N 2.76Å; D33-N35 PolarHBondContact O-N 2.85Å
34G75.8Confident90.6Very high4 Ų442.1 Ų42.14%0.04122%0.218CC..  trans78.6-27.3170.400000115.4F30 R32 L36 G100F30-G34 PolarHBondContact O-N 3.5Å; F30-G34 VanDerWaalsContact O-N 3.08Å; R32-G34 VanDerWaalsContact C-N 3.27Å; R32-G34 PolarHBondContact O-N 3.36Å; G34-L36 VanDerWaalsContact C-N 3.27Å; G34-L36 PolarHBondContact O-N 3.33Å; G34-G100 CarbonylContact C-O 3.59Å
35N78.7Confident90.5Very high109 Ų10943.9 Ų43.958%0.58323%0.23SC*.  trans-82.269.2176.4-169.228.2000111.9D33 P37 R133D33-N35 PolarHBondContact O-N 2.85Å; N35-P37 WeakPolarHBondContact O-CD 3.4Å; N35-R133 PolarHBondContact OD1-NH2 3.44Å
36L87.5Confident90.6Very high3 Ų340.5 Ų40.52%0.01621%0.21CC..PPolyproline II helixtrans-62.6122.4178.7178.867.8000110F30 G34 I39 L56 L60 I104 R133F30-L36 HydrophobicContact CB-CD1 3.79Å; F30-L36 HydrophobicContact CD2-CD1 4.12Å; F30-L36 HydrophobicContact CG-CD1 4.16Å; G34-L36 VanDerWaalsContact C-N 3.27Å; G34-L36 PolarHBondContact O-N 3.33Å; L36-I39 HydrophobicContact CD1-CG2 4.3Å; L36-L56 HydrophobicContact CD1-CD2 3.59Å; L36-L56 HydrophobicContact CD2-CD2 4.2Å; L36-L60 HydrophobicContact CB-CD1 4.15Å; L36-L60 HydrophobicContact CD1-CD1 4.44Å; L36-L60 HydrophobicContact CD2-CD1 3.7Å; L36-L60 HydrophobicContact CG-CD1 4.29Å; L36-I104 HydrophobicContact CD2-CD1 3.76Å; L36-I104 HydrophobicContact CD2-CG1 4.19Å; L36-R133 HydrophobicContact CB-CG 4.49Å; L36-R133 HydrophobicContact CD2-CB 4.3Å; L36-R133 WeakPolarHBondContact O-CD 3.47Å; L36-R133 VanDerWaalsContact O-CG 3.32Å; L36-R133 WeakPolarHBondContact O-CG 3.44Å; L36-R133 PolarHBondContact O-NE 3.39Å
37P92.7Very high90.7Very high40 Ų4033.7 Ų33.726%0.2618%0.184SC..PPolyproline II helixtrans-71.1167.8167.230.5-35.5000110.9F30 N35 I39 A153F30-P37 HydrophobicContact CD1-CG 4.34Å; F30-P37 HydrophobicContact CE1-CG 3.9Å; F30-P37 HydrophobicContact CE2-CG 4.11Å; F30-P37 HydrophobicContact CZ-CG 3.77Å; N35-P37 WeakPolarHBondContact O-CD 3.4Å; P37-I39 HydrophobicContact CG-CG2 4.25Å; P37-I39 PolarHBondContact O-N 3.06Å; P37-A153 HydrophobicContact CG-CB 4.24Å
38N96.3Very high90.7Very high14 Ų1434.7 Ų34.78%0.07519%0.194CC..PPolyproline II helixtrans-62.9141163.4-56.2-46.8000108.4M125 R133 F134 R151 C152 A153N38-M125 HydrophobicContact CB-CE 4.14Å; N38-R133 WeakPolarHBondContact OD1-CA 3.49Å; N38-F134 CarbonylContact C-O 3.58Å; N38-F134 VanDerWaalsContact CA-O 3.23Å; N38-F134 WeakPolarHBondContact CA-O 3.47Å; N38-F134 HydrophobicContact CB-CB 4.42Å; N38-F134 PolarHBondContact OD1-N 3.13Å; N38-R151 PolarHBondContact ND2-O 3.37Å; N38-C152 HydrophobicContact CB-CB 4.41Å; N38-C152 VanDerWaalsContact CB-SG 3.54Å; N38-C152 CarbonylContact O-C 3.5Å; N38-C152 VanDerWaalsContact O-CA 3.25Å; N38-C152 WeakPolarHBondContact O-CA 3.47Å; N38-A153 PolarHBondContact O-N 3.36Å
39I96.5Very high90.9Very high0 Ų033.6 Ų33.60%019%0.185CC..EExtended strand (participates in β ladder)trans-125.7144.7-177.363176.3000110.8L27 F30 L36 P37 I41 I53 L56 F134 A135 L136 A153L27-I39 HydrophobicContact CD2-CD1 4.07Å; F30-I39 HydrophobicContact CE2-CG2 4.42Å; L36-I39 HydrophobicContact CD1-CG2 4.3Å; P37-I39 HydrophobicContact CG-CG2 4.25Å; P37-I39 PolarHBondContact O-N 3.06Å; I39-I41 HydrophobicContact CD1-CD1 4.46Å; I39-I41 HydrophobicContact CD1-CG1 4.46Å; I39-I53 HydrophobicContact CD1-CG1 4.45Å; I39-L56 HydrophobicContact CD1-CD2 3.79Å; I39-F134 PolarHBondContact N-O 3.46Å; I39-A135 HydrophobicContact CD1-CB 3.91Å; I39-A135 HydrophobicContact CG1-CB 3.59Å; I39-A135 WeakPolarHBondContact O-CA 3.47Å; I39-L136 PolarHBondContact O-N 3.32Å; I39-A153 WeakPolarHBondContact CA-O 3.19Å; I39-A153 HydrophobicContact CG2-CB 4.42Å
40I97.2Very high91.1Very high0 Ų031.9 Ų31.90%018%0.175CC..EExtended strand (participates in β ladder)trans-115.1124.9163.9-68.9162.1000106.6A42 L136 L144 I148 Q149 C152 A153 V154 L155I40-A42 HydrophobicContact CG2-CB 4.3Å; I40-L136 CarbonylContact C-O 3.56Å; I40-L136 WeakPolarHBondContact CA-O 3.43Å; I40-L136 HydrophobicContact CG1-CB 4.05Å; I40-L136 HydrophobicContact CG1-CD1 3.97Å; I40-L136 HydrophobicContact CG1-CG 4.34Å; I40-L144 HydrophobicContact CD1-CD1 3.86Å; I40-L144 HydrophobicContact CG1-CD1 4.12Å; I40-L144 HydrophobicContact CG2-CD1 4.06Å; I40-I148 HydrophobicContact CD1-CG2 4.26Å; I40-Q149 HydrophobicContact CD1-CB 4.46Å; I40-Q149 HydrophobicContact CD1-CG 4.23Å; I40-C152 HydrophobicContact CB-CB 4.35Å; I40-C152 HydrophobicContact CD1-CB 3.5Å; I40-C152 VanDerWaalsContact CD1-CB 3.5Å; I40-C152 HydrophobicContact CG1-CB 3.58Å; I40-A153 PolarHBondContact N-O 3.49Å; I40-V154 HydrophobicContact CB-CG2 4.36Å; I40-V154 HydrophobicContact CD1-CG2 4.28Å; I40-L155 PolarHBondContact O-N 3.2Å
41I97.1Very high91.5Very high0 Ų030.6 Ų30.60%017%0.171CC..EExtended strand (participates in β ladder)trans-103.7112.6167.6-54.2-163.7000108.2L27 I39 K49 I53 L136 A137 C138 L155 Y157L27-I41 HydrophobicContact CD1-CD1 4.31Å; I39-I41 HydrophobicContact CD1-CD1 4.46Å; I39-I41 HydrophobicContact CD1-CG1 4.46Å; I41-K49 HydrophobicContact CB-CB 4.4Å; I41-K49 HydrophobicContact CG2-CB 3.72Å; I41-K49 HydrophobicContact CG2-CD 4.19Å; I41-K49 HydrophobicContact CG2-CG 3.77Å; I41-I53 HydrophobicContact CB-CD1 4.46Å; I41-I53 HydrophobicContact CD1-CD1 4.12Å; I41-I53 HydrophobicContact CD1-CG1 3.51Å; I41-I53 HydrophobicContact CG1-CD1 4.16Å; I41-I53 HydrophobicContact CG1-CG1 4.08Å; I41-L136 PolarHBondContact N-O 3.4Å; I41-A137 WeakPolarHBondContact O-CA 3.38Å; I41-C138 PolarHBondContact O-N 3.19Å; I41-L155 WeakPolarHBondContact CA-O 3.46Å; I41-L155 HydrophobicContact CG1-CB 4.36Å; I41-L155 HydrophobicContact CG1-CD1 4.47Å; I41-Y157 HydrophobicContact CD1-CE2 4.1Å; I41-Y157 HydrophobicContact CG2-CD2 3.22Å; I41-Y157 HydrophobicContact CG2-CE2 3.27Å; I41-Y157 HydrophobicContact CG2-CG 4Å
42A96.2Very high91.9Very high4 Ų430.1 Ų30.13%0.03317%0.167CC..EExtended strand (participates in β ladder)trans-117.1137.6-177.600000110.8I40 C138 L155 R156 Y157I40-A42 HydrophobicContact CG2-CB 4.3Å; A42-C138 WeakPolarHBondContact CA-O 3.28Å; A42-L155 PolarHBondContact N-O 3.38Å; A42-R156 CarbonylContact O-C 3.57Å; A42-R156 WeakPolarHBondContact O-CA 3.37Å; A42-Y157 PolarHBondContact O-N 2.85Å
43G95.1Very high92.3Very high10 Ų1021.9 Ų21.910%0.10314%0.136CC..  trans160-179.7175.400000113.6K49 C138 N139 Y157G43-K49 WeakPolarHBondContact O-CD 3.34Å; G43-K49 WeakPolarHBondContact O-CE 3.34Å; G43-K49 PolarHBondContact O-NZ 3.49Å; G43-C138 PolarHBondContact N-O 3.45Å; G43-N139 WeakPolarHBondContact O-CA 3.47Å; G43-N139 PolarHBondContact O-OD1 2.9Å; G43-Y157 WeakPolarHBondContact CA-O 3.42Å
44P94.1Very high92.8Very high37 Ų3717.3 Ų17.324%0.2411%0.111CC..  trans-59158-176.9-23.936000113.4K49 Y157 R159P44-K49 VanDerWaalsContact C-NZ 3.35Å; P44-K49 PolarHBondContact O-NZ 3.18Å; P44-Y157 VanDerWaalsContact CD-O 3.24Å; P44-Y157 WeakPolarHBondContact CD-O 3.33Å; P44-R159 HydrophobicContact CB-CG 3.98Å; P44-R159 HydrophobicContact CG-CG 3.94Å
45P92.7Very high93.8Very high54 Ų5417.1 Ų17.135%0.35111%0.109SC..THydrogen-bonded Turntrans-61.6158.9175.627.7-35000111.8C47P45-C47 PolarHBondContact O-N 2.89Å; P45-C47 PolarHBondContact O-SG 3.03Å
46G92.9Very high94.5Very high10 Ų1012 Ų1210%0.1038%0.082CC..THydrogen-bonded Turntrans66.52.2174.300000117.5G48 D195 M196G46-G48 VanDerWaalsContact C-N 3.29Å; G46-G48 PolarHBondContact O-N 3.29Å; G46-D195 VanDerWaalsContact CA-OD1 3.31Å; G46-D195 WeakPolarHBondContact CA-OD1 3.34Å; G46-D195 WeakPolarHBondContact CA-OD2 3.31Å; G46-D195 PolarHBondContact N-OD2 3.29Å; G46-M196 PolarHBondContact O-N 3.07Å
47C93.5Very high94.8Very high3 Ų311.9 Ų11.92%0.028%0.082CC..SBendtrans-85.65.6-179.1-58.40000113.8P45 Y157 A158P45-C47 PolarHBondContact O-N 2.89Å; P45-C47 PolarHBondContact O-SG 3.03Å; C47-Y157 HydrophobicContact CB-CD1 4.34Å; C47-Y157 VanDerWaalsContact O-CD1 3.26Å; C47-Y157 WeakPolarHBondContact O-CD1 3.43Å; C47-A158 PolarHBondContact SG-O 3.49Å
48G94Very high94.8Very high20 Ų2014.5 Ų14.521%0.2069%0.086CC..SBendtrans9115.2176.400000116.4G46 T51 S52G46-G48 VanDerWaalsContact C-N 3.29Å; G46-G48 PolarHBondContact O-N 3.29Å; G48-T51 PolarHBondContact O-N 3.42Å; G48-S52 WeakPolarHBondContact O-CB 3.37Å; G48-S52 PolarHBondContact O-N 3.03Å; G48-S52 PolarHBondContact O-OG 3.19Å
49K94.7Very high94.5Very high13 Ų1316.3 Ų16.36%0.05710%0.098CC..Hα-helixtrans-53.1-61.2-179.4-55.6-172-62.9-86.80113.2I41 G43 P44 S52 I53 A137 C138 N139 Y157I41-K49 HydrophobicContact CB-CB 4.4Å; I41-K49 HydrophobicContact CG2-CB 3.72Å; I41-K49 HydrophobicContact CG2-CD 4.19Å; I41-K49 HydrophobicContact CG2-CG 3.77Å; G43-K49 WeakPolarHBondContact O-CD 3.34Å; G43-K49 WeakPolarHBondContact O-CE 3.34Å; G43-K49 PolarHBondContact O-NZ 3.49Å; P44-K49 VanDerWaalsContact C-NZ 3.35Å; P44-K49 PolarHBondContact O-NZ 3.18Å; K49-S52 PolarHBondContact O-N 3.03Å; K49-I53 PolarHBondContact O-N 2.86Å; K49-A137 HydrophobicContact CB-CB 4.29Å; K49-C138 WeakPolarHBondContact CD-O 3.49Å; K49-C138 WeakPolarHBondContact CE-O 3.25Å; K49-N139 PolarHBondContact NZ-OD1 3.11Å; K49-Y157 HydrophobicContact CG-CD1 4.37Å; K49-Y157 HydrophobicContact CG-CG 4.22Å
50T93.6Very high94.2Very high15 Ų1516.9 Ų16.99%0.09210%0.101CC..Hα-helixtrans-61.6-46.6-179.2-41.70000110.8S52 I53 L54 D108T50-S52 VanDerWaalsContact C-N 3.27Å; T50-S52 PolarHBondContact O-N 3.31Å; T50-I53 PolarHBondContact O-N 2.77Å; T50-I53 VanDerWaalsContact O-N 3.14Å; T50-L54 HydrophobicContact CG2-CD1 4.25Å; T50-L54 WeakPolarHBondContact O-CG 3.35Å; T50-L54 PolarHBondContact O-N 3.34Å; T50-D108 WeakPolarHBondContact CB-OD2 3.3Å; T50-D108 HydrophobicContact CG2-CB 4.33Å; T50-D108 WeakPolarHBondContact CG2-OD2 3.49Å; T50-D108 PolarHBondContact OG1-OD1 2.86Å; T50-D108 PolarHBondContact OG1-OD2 3.38Å
51T95.2Very high93.9Very high20 Ų2017.4 Ų17.412%0.12310%0.104CC..Hα-helixtrans-54.6-43.8177-51.40000111.8R10 P11 G48 I53 L54 C55R10-T51 HydrophobicContact CG-CG2 3.81Å; P11-T51 HydrophobicContact CB-CG2 3.72Å; P11-T51 HydrophobicContact CG-CG2 3.99Å; G48-T51 PolarHBondContact O-N 3.42Å; T51-I53 VanDerWaalsContact C-N 3.35Å; T51-I53 PolarHBondContact O-N 2.92Å; T51-L54 PolarHBondContact O-N 3.25Å; T51-L54 VanDerWaalsContact O-N 3.16Å; T51-C55 PolarHBondContact O-N 3.35Å; T51-C55 PolarHBondContact O-SG 2.85Å
52S96Very high93.6Very high0 Ų025 Ų250%014%0.137CC..Hα-helixtrans-63-40.1180-550000112.7G48 K49 T50 L54 L56 Y157G48-S52 WeakPolarHBondContact O-CB 3.37Å; G48-S52 PolarHBondContact O-N 3.03Å; G48-S52 PolarHBondContact O-OG 3.19Å; K49-S52 PolarHBondContact O-N 3.03Å; T50-S52 VanDerWaalsContact C-N 3.27Å; T50-S52 PolarHBondContact O-N 3.31Å; S52-L54 VanDerWaalsContact C-N 3.35Å; S52-L56 WeakPolarHBondContact O-CB 3.3Å; S52-L56 PolarHBondContact O-N 3.46Å; S52-Y157 WeakPolarHBondContact CB-OH 3.45Å; S52-Y157 PolarHBondContact OG-OH 3.37Å
53I95.1Very high93.2Very high1 Ų130.5 Ų30.51%0.00518%0.175CC..Hα-helixtrans-65.2-42175.5-60.7173.7000110.4I39 I41 K49 T50 T51 L56 A57 I106 A135 A137I39-I53 HydrophobicContact CD1-CG1 4.45Å; I41-I53 HydrophobicContact CB-CD1 4.46Å; I41-I53 HydrophobicContact CD1-CD1 4.12Å; I41-I53 HydrophobicContact CD1-CG1 3.51Å; I41-I53 HydrophobicContact CG1-CD1 4.16Å; I41-I53 HydrophobicContact CG1-CG1 4.08Å; K49-I53 PolarHBondContact O-N 2.86Å; T50-I53 PolarHBondContact O-N 2.77Å; T50-I53 VanDerWaalsContact O-N 3.14Å; T51-I53 VanDerWaalsContact C-N 3.35Å; T51-I53 PolarHBondContact O-N 2.92Å; I53-L56 PolarHBondContact O-N 2.82Å; I53-A57 WeakPolarHBondContact O-CB 3.39Å; I53-A57 PolarHBondContact O-N 2.87Å; I53-I106 HydrophobicContact CG2-CB 4.31Å; I53-I106 HydrophobicContact CG2-CD1 3.68Å; I53-I106 HydrophobicContact CG2-CG1 3.62Å; I53-I106 HydrophobicContact CG2-CG2 3.85Å; I53-A135 HydrophobicContact CB-CB 4.46Å; I53-A135 HydrophobicContact CD1-CB 4.06Å; I53-A135 HydrophobicContact CG1-CB 4.27Å; I53-A135 HydrophobicContact CG2-CB 3.36Å; I53-A137 HydrophobicContact CD1-CB 3.88Å
54L95.1Very high93Very high6 Ų630.9 Ų30.93%0.03118%0.177CC..Hα-helixtrans-64.3-45.2178.4-64.9170.8000111.3T50 T51 S52 L56 A57 R58 Y65 E71 I106T50-L54 HydrophobicContact CG2-CD1 4.25Å; T50-L54 WeakPolarHBondContact O-CG 3.35Å; T50-L54 PolarHBondContact O-N 3.34Å; T51-L54 PolarHBondContact O-N 3.25Å; T51-L54 VanDerWaalsContact O-N 3.16Å; S52-L54 VanDerWaalsContact C-N 3.35Å; L54-L56 PolarHBondContact O-N 3.47Å; L54-A57 PolarHBondContact O-N 3.3Å; L54-R58 WeakPolarHBondContact O-CB 3.3Å; L54-R58 VanDerWaalsContact O-CG 3.3Å; L54-R58 WeakPolarHBondContact O-CG 3.2Å; L54-R58 PolarHBondContact O-N 2.99Å; L54-Y65 VanDerWaalsContact CD2-OH 3.24Å; L54-Y65 WeakPolarHBondContact CD2-OH 3.21Å; L54-E71 WeakPolarHBondContact CD2-OE2 3.46Å; L54-I106 HydrophobicContact CD2-CD1 3.74Å
55C95Very high92.9Very high0 Ų031.2 Ų31.20%017%0.174CC..Hα-helixtrans-59.4-45.6174.6-66.20000111.5P11 I12 E13 L14 I17 T51 A57 R58 T59P11-C55 PolarHBondContact O-SG 2.87Å; P11-C55 VanDerWaalsContact O-SG 3.41Å; I12-C55 PolarHBondContact O-SG 3.48Å; E13-C55 PolarHBondContact O-SG 3.33Å; L14-C55 HydrophobicContact CD2-CB 3.76Å; L14-C55 HydrophobicContact CG-CB 4.04Å; I17-C55 HydrophobicContact CD1-CB 4.2Å; T51-C55 PolarHBondContact O-N 3.35Å; T51-C55 PolarHBondContact O-SG 2.85Å; C55-A57 PolarHBondContact O-N 3.49Å; C55-R58 PolarHBondContact O-N 3.24Å; C55-T59 WeakPolarHBondContact O-CB 3.38Å; C55-T59 PolarHBondContact O-N 2.87Å; C55-T59 PolarHBondContact O-OG1 2.97Å
56L94Very high92.8Very high2 Ų237.9 Ų37.91%0.0120%0.197CC..Hα-helixtrans-58.8-49175.4176.164.9000111.4L14 L27 A31 L36 I39 S52 I53 L54 R58 T59 L60L14-L56 HydrophobicContact CD1-CD1 4.36Å; L14-L56 HydrophobicContact CD2-CB 4.37Å; L27-L56 HydrophobicContact CD2-CD2 3.81Å; L27-L56 WeakPolarHBondContact O-CD1 3.39Å; A31-L56 HydrophobicContact CB-CD1 3.81Å; L36-L56 HydrophobicContact CD1-CD2 3.59Å; L36-L56 HydrophobicContact CD2-CD2 4.2Å; I39-L56 HydrophobicContact CD1-CD2 3.79Å; S52-L56 WeakPolarHBondContact O-CB 3.3Å; S52-L56 PolarHBondContact O-N 3.46Å; I53-L56 PolarHBondContact O-N 2.82Å; L54-L56 PolarHBondContact O-N 3.47Å; L56-R58 PolarHBondContact O-N 3.33Å; L56-T59 PolarHBondContact O-N 3.5Å; L56-L60 HydrophobicContact CD1-CD1 3.81Å; L56-L60 HydrophobicContact CD1-CG 4.11Å; L56-L60 HydrophobicContact CG-CD1 3.84Å; L56-L60 HydrophobicContact CG-CG 4.47Å; L56-L60 WeakPolarHBondContact O-CB 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.25Å; L56-L60 PolarHBondContact O-N 2.77Å
57A93.6Very high92.7Very high1 Ų143.1 Ų43.11%0.00822%0.219CC..Hα-helixtrans-65-40.2-178.500000112.2I53 L54 C55 L60 L61 Y65 V69 I104 I106I53-A57 WeakPolarHBondContact O-CB 3.39Å; I53-A57 PolarHBondContact O-N 2.87Å; L54-A57 PolarHBondContact O-N 3.3Å; C55-A57 PolarHBondContact O-N 3.49Å; A57-L60 PolarHBondContact O-N 2.94Å; A57-L61 WeakPolarHBondContact O-CB 3.47Å; A57-L61 PolarHBondContact O-N 2.9Å; A57-Y65 HydrophobicContact CB-CD2 4.23Å; A57-Y65 HydrophobicContact CB-CE2 3.75Å; A57-V69 HydrophobicContact CB-CG2 4.09Å; A57-I104 HydrophobicContact CB-CD1 3.98Å; A57-I106 HydrophobicContact CB-CD1 4.24Å
58R92.4Very high92.8Very high95 Ų9543 Ų4336%0.35822%0.218SC..Hα-helixtrans-62-46.4173.6-73.9175.3-174163.3-0.7111.6L54 C55 L56 L60 K62 Y65L54-R58 WeakPolarHBondContact O-CB 3.3Å; L54-R58 VanDerWaalsContact O-CG 3.3Å; L54-R58 WeakPolarHBondContact O-CG 3.2Å; L54-R58 PolarHBondContact O-N 2.99Å; C55-R58 PolarHBondContact O-N 3.24Å; L56-R58 PolarHBondContact O-N 3.33Å; R58-L60 VanDerWaalsContact C-N 3.3Å; R58-L60 PolarHBondContact O-N 3.42Å; R58-K62 VanDerWaalsContact O-CA 3.29Å; R58-K62 WeakPolarHBondContact O-CA 3.33Å; R58-K62 PolarHBondContact O-N 3.25Å; R58-Y65 HydrophobicContact CB-CD2 4.27Å; R58-Y65 HydrophobicContact CB-CE2 4.38Å; R58-Y65 HydrophobicContact CG-CD2 3.67Å; R58-Y65 HydrophobicContact CG-CE2 3.51Å; R58-Y65 HydrophobicContact CG-CG 4.34Å
59T90.5Very high92.9Very high52 Ų5242.9 Ų42.932%0.31921%0.213SC..Hα-helixtrans-62.4-40.3178.2-55.80000111.3A31 C55 L56A31-T59 HydrophobicContact CB-CG2 4.02Å; C55-T59 WeakPolarHBondContact O-CB 3.38Å; C55-T59 PolarHBondContact O-N 2.87Å; C55-T59 PolarHBondContact O-OG1 2.97Å; L56-T59 PolarHBondContact O-N 3.5Å
60L90Very high92.9Very high12 Ų1243.9 Ų43.96%0.06322%0.219CC..Hα-helixtrans-72.9-42.2-177.7-80.5173.6000113.6A31 L36 L56 A57 R58 R101 I104A31-L60 HydrophobicContact CB-CD2 4.49Å; A31-L60 WeakPolarHBondContact O-CD2 3.4Å; L36-L60 HydrophobicContact CB-CD1 4.15Å; L36-L60 HydrophobicContact CD1-CD1 4.44Å; L36-L60 HydrophobicContact CD2-CD1 3.7Å; L36-L60 HydrophobicContact CG-CD1 4.29Å; L56-L60 HydrophobicContact CD1-CD1 3.81Å; L56-L60 HydrophobicContact CD1-CG 4.11Å; L56-L60 HydrophobicContact CG-CD1 3.84Å; L56-L60 HydrophobicContact CG-CG 4.47Å; L56-L60 WeakPolarHBondContact O-CB 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.25Å; L56-L60 PolarHBondContact O-N 2.77Å; A57-L60 PolarHBondContact O-N 2.94Å; R58-L60 VanDerWaalsContact C-N 3.3Å; R58-L60 PolarHBondContact O-N 3.42Å; L60-R101 PolarHBondContact O-NH1 3.49Å; L60-I104 HydrophobicContact CD1-CD1 3.94Å
61L91.4Very high93Very high10 Ų1047.7 Ų47.75%0.05224%0.236CC..Hα-helixtrans-107.2-18.9-167.9-64.7168.8000113.5A57 S63 A64 A68 V69 L97 I104A57-L61 WeakPolarHBondContact O-CB 3.47Å; A57-L61 PolarHBondContact O-N 2.9Å; L61-S63 PolarHBondContact O-N 2.98Å; L61-S63 VanDerWaalsContact O-N 3.09Å; L61-A64 WeakPolarHBondContact O-CA 3.38Å; L61-A64 WeakPolarHBondContact O-CB 3.43Å; L61-A64 PolarHBondContact O-N 3.43Å; L61-A68 HydrophobicContact CD1-CB 3.96Å; L61-A68 HydrophobicContact CD2-CB 4.14Å; L61-V69 HydrophobicContact CD1-CG2 3.34Å; L61-L97 HydrophobicContact CD2-CD1 4.1Å; L61-L97 HydrophobicContact CD2-CD2 3.91Å; L61-I104 HydrophobicContact CD1-CD1 3.98Å; L61-I104 HydrophobicContact CD1-CG1 4.14Å
62K89.9Confident92.9Very high159 Ų15947.3 Ų47.369%0.69123%0.233SC*.G310 helixtrans45.9-114.1176.7-58.4-176.1178.9-175.60111.8R58 A64 Y65R58-K62 VanDerWaalsContact O-CA 3.29Å; R58-K62 WeakPolarHBondContact O-CA 3.33Å; R58-K62 PolarHBondContact O-N 3.25Å; K62-A64 VanDerWaalsContact C-N 3.26Å; K62-A64 PolarHBondContact O-N 2.91Å; K62-Y65 WeakPolarHBondContact O-CB 3.5Å; K62-Y65 PolarHBondContact O-N 2.83Å; K62-Y65 VanDerWaalsContact O-N 3.16Å
63S88.3Confident92.7Very high121 Ų12149.9 Ų49.985%0.84625%0.247SC*.G310 helixtrans-62.5-29.5179.351.80000113.6L61 Y65L61-S63 PolarHBondContact O-N 2.98Å; L61-S63 VanDerWaalsContact O-N 3.09Å; S63-Y65 VanDerWaalsContact C-N 3.26Å; S63-Y65 PolarHBondContact O-N 3.41Å
64A90.8Very high92.2Very high17 Ų1749.9 Ų49.914%0.1425%0.247CC..G310 helixtrans-80.1-3.8178.900000113.6L61 K62 K66 E67 A68 L97L61-A64 WeakPolarHBondContact O-CA 3.38Å; L61-A64 WeakPolarHBondContact O-CB 3.43Å; L61-A64 PolarHBondContact O-N 3.43Å; K62-A64 VanDerWaalsContact C-N 3.26Å; K62-A64 PolarHBondContact O-N 2.91Å; A64-K66 VanDerWaalsContact C-N 3.32Å; A64-K66 PolarHBondContact O-N 3.37Å; A64-E67 PolarHBondContact O-N 2.77Å; A64-E67 VanDerWaalsContact O-N 3.09Å; A64-A68 VanDerWaalsContact O-CB 3.3Å; A64-A68 WeakPolarHBondContact O-CB 3.29Å; A64-A68 PolarHBondContact O-N 3.33Å; A64-L97 HydrophobicContact CB-CD2 3.57Å
65Y91.5Very high91.5Very high44 Ų4450.6 Ų50.617%0.17325%0.253CS..Hα-helixtrans-50.4-48.7-175.3-179.9-88.3000112.9L54 A57 R58 K62 S63 E67 A68 V69L54-Y65 VanDerWaalsContact CD2-OH 3.24Å; L54-Y65 WeakPolarHBondContact CD2-OH 3.21Å; A57-Y65 HydrophobicContact CB-CD2 4.23Å; A57-Y65 HydrophobicContact CB-CE2 3.75Å; R58-Y65 HydrophobicContact CB-CD2 4.27Å; R58-Y65 HydrophobicContact CB-CE2 4.38Å; R58-Y65 HydrophobicContact CG-CD2 3.67Å; R58-Y65 HydrophobicContact CG-CE2 3.51Å; R58-Y65 HydrophobicContact CG-CG 4.34Å; K62-Y65 WeakPolarHBondContact O-CB 3.5Å; K62-Y65 PolarHBondContact O-N 2.83Å; K62-Y65 VanDerWaalsContact O-N 3.16Å; S63-Y65 VanDerWaalsContact C-N 3.26Å; S63-Y65 PolarHBondContact O-N 3.41Å; Y65-E67 VanDerWaalsContact C-N 3.26Å; Y65-E67 PolarHBondContact O-N 3.03Å; Y65-A68 PolarHBondContact O-N 3.43Å; Y65-V69 HydrophobicContact CD2-CB 4.43Å; Y65-V69 HydrophobicContact CD2-CG2 3.62Å; Y65-V69 HydrophobicContact CE2-CB 4.29Å; Y65-V69 HydrophobicContact CE2-CG1 4.34Å; Y65-V69 HydrophobicContact CE2-CG2 3.75Å; Y65-V69 HydrophobicContact CG-CG2 4.11Å; Y65-V69 VanDerWaalsContact O-CB 3.3Å; Y65-V69 WeakPolarHBondContact O-CB 3.45Å; Y65-V69 WeakPolarHBondContact O-CG2 3.41Å; Y65-V69 PolarHBondContact O-N 3.08Å
66K91.1Very high90.9Very high194 Ų19457.3 Ų57.384%0.84329%0.288SS*.Hα-helixtrans-63.2-29.8-176.6-67.3-174.7179-179.20113.6A64A64-K66 VanDerWaalsContact C-N 3.32Å; A64-K66 PolarHBondContact O-N 3.37Å
67E91.7Very high90.2Very high121 Ų12159.4 Ų59.457%0.56530%0.298SS*.Hα-helixtrans-96.1-25.7-175.9-62.6-174.4178.300113A64 Y65 V95A64-E67 PolarHBondContact O-N 2.77Å; A64-E67 VanDerWaalsContact O-N 3.09Å; Y65-E67 VanDerWaalsContact C-N 3.26Å; Y65-E67 PolarHBondContact O-N 3.03Å; E67-V95 HydrophobicContact CB-CG1 4.33Å
68A94.2Very high89.5Confident0 Ų065.7 Ų65.70%032%0.322CS..Hα-helixtrans-1121-170.800000114.3L61 A64 Y65 V95 L97 K103 I104L61-A68 HydrophobicContact CD1-CB 3.96Å; L61-A68 HydrophobicContact CD2-CB 4.14Å; A64-A68 VanDerWaalsContact O-CB 3.3Å; A64-A68 WeakPolarHBondContact O-CB 3.29Å; A64-A68 PolarHBondContact O-N 3.33Å; Y65-A68 PolarHBondContact O-N 3.43Å; A68-V95 HydrophobicContact CB-CG1 4.3Å; A68-L97 HydrophobicContact CB-CD1 4.11Å; A68-L97 HydrophobicContact CB-CD2 3.76Å; A68-L97 HydrophobicContact CB-CG 4.41Å; A68-K103 HydrophobicContact CB-CG 4.22Å; A68-K103 CarbonylContact O-C 3.55Å; A68-K103 VanDerWaalsContact O-CA 3.29Å; A68-K103 WeakPolarHBondContact O-CA 3.33Å; A68-K103 WeakPolarHBondContact O-CB 3.41Å; A68-I104 PolarHBondContact O-N 3.43Å
69V96.1Very high88.9Confident17 Ų1762.7 Ų62.710%0.10332%0.32CS..EExtended strand (participates in β ladder)trans-113.1131.7170-176.80000110.6A57 L61 Y65 I104 I106A57-V69 HydrophobicContact CB-CG2 4.09Å; L61-V69 HydrophobicContact CD1-CG2 3.34Å; Y65-V69 HydrophobicContact CD2-CB 4.43Å; Y65-V69 HydrophobicContact CD2-CG2 3.62Å; Y65-V69 HydrophobicContact CE2-CB 4.29Å; Y65-V69 HydrophobicContact CE2-CG1 4.34Å; Y65-V69 HydrophobicContact CE2-CG2 3.75Å; Y65-V69 HydrophobicContact CG-CG2 4.11Å; Y65-V69 VanDerWaalsContact O-CB 3.3Å; Y65-V69 WeakPolarHBondContact O-CB 3.45Å; Y65-V69 WeakPolarHBondContact O-CG2 3.41Å; Y65-V69 PolarHBondContact O-N 3.08Å; V69-I104 VanDerWaalsContact CA-O 3.3Å; V69-I104 WeakPolarHBondContact CA-O 3.4Å; V69-I106 HydrophobicContact CG1-CD1 3.63Å; V69-I106 HydrophobicContact CG1-CG1 4.12Å
70L95.9Very high88.7Confident34 Ų3462.7 Ų62.718%0.17832%0.318CS..EExtended strand (participates in β ladder)trans-115.4116.1165.3176.266.9000108.3L72 F90 I104 I105 I106L70-L72 HydrophobicContact CD1-CD2 3.95Å; L70-L72 HydrophobicContact CD1-CG 4.39Å; L70-L72 HydrophobicContact CD2-CD1 4.12Å; L70-L72 HydrophobicContact CD2-CG 4.3Å; L70-L72 HydrophobicContact CG-CD1 4.43Å; L70-L72 HydrophobicContact CG-CD2 4.18Å; L70-L72 HydrophobicContact CG-CG 4.06Å; L70-F90 HydrophobicContact CB-CD1 3.67Å; L70-F90 HydrophobicContact CB-CD2 3.9Å; L70-F90 HydrophobicContact CB-CE1 3.68Å; L70-F90 HydrophobicContact CB-CE2 3.92Å; L70-F90 HydrophobicContact CB-CG 3.77Å; L70-F90 HydrophobicContact CB-CZ 3.8Å; L70-F90 HydrophobicContact CD2-CB 3.67Å; L70-F90 HydrophobicContact CD2-CD1 4.11Å; L70-F90 HydrophobicContact CD2-CD2 4.43Å; L70-F90 HydrophobicContact CD2-CG 3.82Å; L70-F90 HydrophobicContact CG-CG 4.34Å; L70-I104 PolarHBondContact N-O 3.14Å; L70-I105 HydrophobicContact CB-CG1 4.34Å; L70-I105 HydrophobicContact CD2-CG2 4.42Å; L70-I105 CarbonylContact O-C 3.38Å; L70-I105 WeakPolarHBondContact O-CA 3.34Å; L70-I106 PolarHBondContact O-N 2.96Å
71E95.1Very high88.7Confident95 Ų9569.1 Ų69.144%0.44435%0.348SS..EExtended strand (participates in β ladder)trans-103.5125.4175.1-176.7-178.2168.700109.4L54 I106L54-E71 WeakPolarHBondContact CD2-OE2 3.46Å; E71-I106 HydrophobicContact CB-CB 4.46Å; E71-I106 HydrophobicContact CG-CB 4.43Å; E71-I106 HydrophobicContact CG-CG2 4.46Å
72L93.8Very high88.5Confident12 Ų1269.8 Ų69.86%0.06335%0.352CS..EExtended strand (participates in β ladder)trans-129.3140.9173.9-53.4174.7000109.2L70 E77 V82 K86 I87 I106 L107 D108L70-L72 HydrophobicContact CD1-CD2 3.95Å; L70-L72 HydrophobicContact CD1-CG 4.39Å; L70-L72 HydrophobicContact CD2-CD1 4.12Å; L70-L72 HydrophobicContact CD2-CG 4.3Å; L70-L72 HydrophobicContact CG-CD1 4.43Å; L70-L72 HydrophobicContact CG-CD2 4.18Å; L70-L72 HydrophobicContact CG-CG 4.06Å; L72-E77 WeakPolarHBondContact CD2-OE2 3.41Å; L72-V82 HydrophobicContact CD1-CG1 3.94Å; L72-K86 HydrophobicContact CD2-CD 4.4Å; L72-I87 HydrophobicContact CD1-CD1 4.02Å; L72-I87 HydrophobicContact CD1-CG1 3.61Å; L72-I106 PolarHBondContact N-O 2.87Å; L72-L107 HydrophobicContact CB-CD2 3.8Å; L72-L107 HydrophobicContact CD1-CD2 3.92Å; L72-L107 HydrophobicContact CG-CD2 4.23Å; L72-L107 WeakPolarHBondContact O-CA 3.24Å; L72-D108 PolarHBondContact O-N 3.09Å
73N91.7Very high88.5Confident54 Ų5462.2 Ų62.229%0.28932%0.319SS..EExtended strand (participates in β ladder)trans-93.3114165.5-173.4-24.7000109.1S75 N76 E77 E109N73-S75 PolarHBondContact O-N 3.21Å; N73-S75 PolarHBondContact OD1-N 3.29Å; N73-S75 PolarHBondContact OD1-OG 2.89Å; N73-N76 PolarHBondContact O-N 3.04Å; N73-E77 WeakPolarHBondContact O-CB 3.32Å; N73-E77 PolarHBondContact O-N 3.33Å; N73-E109 PolarHBondContact ND2-OE2 3.46Å; N73-E109 PolarHBondContact OD1-OE2 3.26Å
74A84.8Confident88.4Confident2 Ų263.9 Ų63.92%0.01731%0.307CS..THydrogen-bonded Turntrans-67.6-20.5-176.800000113.5N76 E77 R78 D108 E109 M113A74-N76 VanDerWaalsContact C-N 3.31Å; A74-N76 PolarHBondContact O-N 2.97Å; A74-E77 CarbonylContact O-C 3.53Å; A74-E77 PolarHBondContact O-N 3.27Å; A74-R78 VanDerWaalsContact O-CA 3.31Å; A74-R78 WeakPolarHBondContact O-CA 3.4Å; A74-R78 WeakPolarHBondContact O-CG 3.39Å; A74-R78 PolarHBondContact O-N 3.43Å; A74-R78 VanDerWaalsContact O-N 3.12Å; A74-D108 VanDerWaalsContact CB-O 3.25Å; A74-D108 WeakPolarHBondContact CB-O 3.07Å; A74-D108 PolarHBondContact N-O 3.28Å; A74-E109 WeakPolarHBondContact CB-O 3.34Å; A74-M113 HydrophobicContact CB-CG 3.56Å; A74-M113 HydrophobicContact CB-SD 4.35Å
75S80.1Confident88.5Confident20 Ų2066.2 Ų66.214%0.1432%0.32CS..THydrogen-bonded Turntrans-72.9-23.2175.967.80000113.4N73 R78 E109N73-S75 PolarHBondContact O-N 3.21Å; N73-S75 PolarHBondContact OD1-N 3.29Å; N73-S75 PolarHBondContact OD1-OG 2.89Å; S75-R78 PolarHBondContact O-NE 2.86Å; S75-R78 PolarHBondContact O-NH2 2.93Å; S75-R78 VanDerWaalsContact O-NH2 3.09Å; S75-E109 WeakPolarHBondContact CB-OE2 3.26Å; S75-E109 PolarHBondContact OG-OE2 2.77Å
76N83Confident88.5Confident141 Ų14168.5 Ų68.575%0.75433%0.331SS*.THydrogen-bonded Turntrans-91.1-33.3168.8-67.6-29.2000111.3N73 A74N73-N76 PolarHBondContact O-N 3.04Å; A74-N76 VanDerWaalsContact C-N 3.31Å; A74-N76 PolarHBondContact O-N 2.97Å
77E78.1Confident88.7Confident46 Ų4659.4 Ų59.422%0.21529%0.291CS..SBendtrans-11148.8-172.2-66.3-158-171.600113.1L72 N73 A74 G79 V82 K86L72-E77 WeakPolarHBondContact CD2-OE2 3.41Å; N73-E77 WeakPolarHBondContact O-CB 3.32Å; N73-E77 PolarHBondContact O-N 3.33Å; A74-E77 CarbonylContact O-C 3.53Å; A74-E77 PolarHBondContact O-N 3.27Å; E77-G79 VanDerWaalsContact C-N 3.31Å; E77-G79 PolarHBondContact O-N 2.87Å; E77-V82 HydrophobicContact CB-CB 4.38Å; E77-V82 HydrophobicContact CB-CG1 3.96Å; E77-V82 HydrophobicContact CB-CG2 3.9Å; E77-V82 HydrophobicContact CG-CG2 4.4Å; E77-V82 WeakPolarHBondContact OE2-CG1 3.18Å; E77-K86 VanDerWaalsContact CD-NZ 3.28Å; E77-K86 IonicContact OE1-NZ 3.36Å; E77-K86 PolarHBondContact OE1-NZ 3.38Å; E77-K86 WeakPolarHBondContact OE2-CD 3.24Å; E77-K86 IonicContact OE2-NZ 3.31Å; E77-K86 PolarHBondContact OE2-NZ 3.15Å
78R78.9Confident88.8Confident133 Ų13357.8 Ų57.850%0.50228%0.282SS..  trans-69.8-22.5-170.4-61179.2-160.8-161.70.7115.3A74 S75 S112 T114 A117A74-R78 VanDerWaalsContact O-CA 3.31Å; A74-R78 WeakPolarHBondContact O-CA 3.4Å; A74-R78 WeakPolarHBondContact O-CG 3.39Å; A74-R78 PolarHBondContact O-N 3.43Å; A74-R78 VanDerWaalsContact O-N 3.12Å; S75-R78 PolarHBondContact O-NE 2.86Å; S75-R78 PolarHBondContact O-NH2 2.93Å; S75-R78 VanDerWaalsContact O-NH2 3.09Å; R78-S112 WeakPolarHBondContact CG-O 3.39Å; R78-T114 PolarHBondContact O-OG1 3.3Å; R78-A117 WeakPolarHBondContact O-CB 3.46Å
79G80.6Confident88.9Confident32 Ų3263.4 Ų63.433%0.3331%0.31SS..SBendtrans-75.9148.3-164.900000113.9E77 E81 V82E77-G79 VanDerWaalsContact C-N 3.31Å; E77-G79 PolarHBondContact O-N 2.87Å; G79-E81 PolarHBondContact O-N 3.46Å; G79-E81 VanDerWaalsContact O-N 3.14Å; G79-V82 PolarHBondContact O-N 3.32Å; G79-V82 VanDerWaalsContact O-N 3.14Å
80I86.2Confident88.9Confident52 Ų5263.9 Ų63.927%0.26731%0.31SS..Hα-helixtrans-58.4-26.4173.5-167.7171.1000112.6V83 R84 G116 A117 A120I80-V83 PolarHBondContact O-N 2.8Å; I80-R84 HydrophobicContact CG1-CG 4.35Å; I80-R84 WeakPolarHBondContact O-CG 3.25Å; I80-R84 PolarHBondContact O-N 3.28Å; I80-G116 WeakPolarHBondContact CD1-O 3.37Å; I80-A117 HydrophobicContact CB-CB 4.31Å; I80-A120 HydrophobicContact CD1-CB 4.09Å; I80-A120 HydrophobicContact CG1-CB 3.81Å
81E89.1Confident88.8Confident147 Ų14762.3 Ų62.369%0.68730%0.302SS*.Hα-helixtrans-62.6-40.7177-68.9-167.916100112.5G79 V83 R84 T85G79-E81 PolarHBondContact O-N 3.46Å; G79-E81 VanDerWaalsContact O-N 3.14Å; E81-V83 VanDerWaalsContact C-N 3.26Å; E81-V83 PolarHBondContact O-N 2.84Å; E81-R84 PolarHBondContact O-N 3.13Å; E81-T85 WeakPolarHBondContact O-CB 3.34Å; E81-T85 WeakPolarHBondContact O-CG2 3.38Å; E81-T85 PolarHBondContact O-N 3.01Å; E81-T85 PolarHBondContact O-OG1 2.88Å
82V87.6Confident88.7Confident24 Ų2462.5 Ų62.515%0.14530%0.303CS..Hα-helixtrans-58.8-43.9177.1174.20000110.3L72 E77 G79 T85 K86 I87L72-V82 HydrophobicContact CD1-CG1 3.94Å; E77-V82 HydrophobicContact CB-CB 4.38Å; E77-V82 HydrophobicContact CB-CG1 3.96Å; E77-V82 HydrophobicContact CB-CG2 3.9Å; E77-V82 HydrophobicContact CG-CG2 4.4Å; E77-V82 WeakPolarHBondContact OE2-CG1 3.18Å; G79-V82 PolarHBondContact O-N 3.32Å; G79-V82 VanDerWaalsContact O-N 3.14Å; V82-T85 PolarHBondContact O-N 2.97Å; V82-K86 HydrophobicContact CG1-CB 4.31Å; V82-K86 HydrophobicContact CG1-CD 4.31Å; V82-K86 PolarHBondContact O-N 3.1Å; V82-I87 PolarHBondContact O-N 3.44Å; V82-I87 VanDerWaalsContact O-N 3.15Å
83V89.5Confident88.7Confident0 Ų066.9 Ų66.90%032%0.322CS..Iπ-helixtrans-63.9-46.7178.5-176.40000110.7I80 E81 T85 I87 K88 M113 A117 A120 L121 I124I80-V83 PolarHBondContact O-N 2.8Å; E81-V83 VanDerWaalsContact C-N 3.26Å; E81-V83 PolarHBondContact O-N 2.84Å; V83-T85 VanDerWaalsContact C-N 3.32Å; V83-T85 PolarHBondContact O-N 3.15Å; V83-I87 HydrophobicContact CB-CD1 4.37Å; V83-I87 HydrophobicContact CG1-CD1 4.43Å; V83-I87 HydrophobicContact CG2-CD1 4.07Å; V83-K88 PolarHBondContact O-N 2.83Å; V83-K88 VanDerWaalsContact O-N 3.1Å; V83-M113 HydrophobicContact CG2-CE 3.45Å; V83-M113 VanDerWaalsContact CG2-CE 3.45Å; V83-A117 HydrophobicContact CG2-CB 3.98Å; V83-A120 HydrophobicContact CB-CB 4.31Å; V83-A120 HydrophobicContact CG1-CB 3.8Å; V83-L121 HydrophobicContact CG1-CB 4.04Å; V83-L121 HydrophobicContact CG1-CD1 4.38Å; V83-I124 HydrophobicContact CG1-CD1 3.6Å; V83-I124 WeakPolarHBondContact O-CD1 3.38Å
84R87.4Confident88.5Confident156 Ų15674.2 Ų74.259%0.58935%0.351SS*.Iπ-helixtrans-70.2-27-178-73.4178.5175.5179.50.3113.7I80 E81 K88I80-R84 HydrophobicContact CG1-CG 4.35Å; I80-R84 WeakPolarHBondContact O-CG 3.25Å; I80-R84 PolarHBondContact O-N 3.28Å; E81-R84 PolarHBondContact O-N 3.13Å; R84-K88 VanDerWaalsContact O-CB 3.26Å; R84-K88 WeakPolarHBondContact O-CB 3.46Å; R84-K88 WeakPolarHBondContact O-CD 3.36Å
85T91.4Very high88.8Confident67 Ų6775.6 Ų75.641%0.41136%0.359SS..Iπ-helixtrans-101.8-84.6-178.259.30000109.8E81 V82 V83 I87 K88 M89E81-T85 WeakPolarHBondContact O-CB 3.34Å; E81-T85 WeakPolarHBondContact O-CG2 3.38Å; E81-T85 PolarHBondContact O-N 3.01Å; E81-T85 PolarHBondContact O-OG1 2.88Å; V82-T85 PolarHBondContact O-N 2.97Å; V83-T85 VanDerWaalsContact C-N 3.32Å; V83-T85 PolarHBondContact O-N 3.15Å; T85-I87 PolarHBondContact O-N 3.43Å; T85-K88 PolarHBondContact O-N 3.47Å; T85-M89 VanDerWaalsContact O-CB 3.25Å; T85-M89 WeakPolarHBondContact O-CB 3.41Å; T85-M89 WeakPolarHBondContact O-CG 3.49Å; T85-M89 PolarHBondContact O-N 3.47Å
86K93Very high89.1Confident92 Ų9280.7 Ų80.740%0.440%0.395SS..Iπ-helixtrans-55.4-55.4-172.1-62.1-168.1-172.9179.40112.8L72 E77 V82 M89 F90L72-K86 HydrophobicContact CD2-CD 4.4Å; E77-K86 VanDerWaalsContact CD-NZ 3.28Å; E77-K86 IonicContact OE1-NZ 3.36Å; E77-K86 PolarHBondContact OE1-NZ 3.38Å; E77-K86 WeakPolarHBondContact OE2-CD 3.24Å; E77-K86 IonicContact OE2-NZ 3.31Å; E77-K86 PolarHBondContact OE2-NZ 3.15Å; V82-K86 HydrophobicContact CG1-CB 4.31Å; V82-K86 HydrophobicContact CG1-CD 4.31Å; V82-K86 PolarHBondContact O-N 3.1Å; K86-M89 PolarHBondContact O-N 2.95Å; K86-F90 WeakPolarHBondContact O-CB 3.43Å; K86-F90 PolarHBondContact O-N 3.49Å
87I94.6Very high89.3Confident2 Ų275.9 Ų75.91%0.0137%0.369CS..Iπ-helixtrans-64.1-46.9-176.5-60.1-174.8000110.2L72 V82 V83 T85 F90 A91 I105 L107 L121 I124 F134L72-I87 HydrophobicContact CD1-CD1 4.02Å; L72-I87 HydrophobicContact CD1-CG1 3.61Å; V82-I87 PolarHBondContact O-N 3.44Å; V82-I87 VanDerWaalsContact O-N 3.15Å; V83-I87 HydrophobicContact CB-CD1 4.37Å; V83-I87 HydrophobicContact CG1-CD1 4.43Å; V83-I87 HydrophobicContact CG2-CD1 4.07Å; T85-I87 PolarHBondContact O-N 3.43Å; I87-F90 PolarHBondContact O-N 2.95Å; I87-A91 VanDerWaalsContact O-CB 3.28Å; I87-A91 WeakPolarHBondContact O-CB 3.47Å; I87-A91 PolarHBondContact O-N 3.38Å; I87-I105 HydrophobicContact CB-CD1 4.5Å; I87-I105 HydrophobicContact CG2-CD1 3.6Å; I87-L107 HydrophobicContact CD1-CD1 4.17Å; I87-L107 HydrophobicContact CD1-CD2 3.95Å; I87-L121 HydrophobicContact CD1-CD1 3.98Å; I87-L121 HydrophobicContact CG2-CD1 4.04Å; I87-I124 HydrophobicContact CG2-CD1 4.24Å; I87-I124 HydrophobicContact CG2-CG2 4.22Å; I87-F134 HydrophobicContact CG2-CE1 3.89Å; I87-F134 HydrophobicContact CG2-CZ 4.35Å
88K94.3Very high89.6Confident88 Ų8877.9 Ų77.938%0.38339%0.386SS..Hα-helixtrans-62.8-47179.3-168.9-178.5176.6-172.80112.3V83 R84 T85 F90 A91 Q92 I124V83-K88 PolarHBondContact O-N 2.83Å; V83-K88 VanDerWaalsContact O-N 3.1Å; R84-K88 VanDerWaalsContact O-CB 3.26Å; R84-K88 WeakPolarHBondContact O-CB 3.46Å; R84-K88 WeakPolarHBondContact O-CD 3.36Å; T85-K88 PolarHBondContact O-N 3.47Å; K88-F90 VanDerWaalsContact C-N 3.34Å; K88-F90 PolarHBondContact O-N 3.25Å; K88-A91 PolarHBondContact O-N 3.41Å; K88-Q92 WeakPolarHBondContact O-CB 3.4Å; K88-Q92 VanDerWaalsContact O-CG 3.29Å; K88-Q92 WeakPolarHBondContact O-CG 3.36Å; K88-Q92 PolarHBondContact O-N 3.28Å; K88-I124 HydrophobicContact CB-CD1 3.84Å; K88-I124 HydrophobicContact CG-CD1 4.37Å
89M94.9Very high89.6Confident117 Ų11781 Ų8158%0.57641%0.406SS*.Hα-helixtrans-61.4-44.2179.3-73.6-172.1-62.500111T85 K86 Q92 K93T85-M89 VanDerWaalsContact O-CB 3.25Å; T85-M89 WeakPolarHBondContact O-CB 3.41Å; T85-M89 WeakPolarHBondContact O-CG 3.49Å; T85-M89 PolarHBondContact O-N 3.47Å; K86-M89 PolarHBondContact O-N 2.95Å; M89-Q92 PolarHBondContact O-N 3.14Å; M89-K93 PolarHBondContact O-N 2.79Å
90F96.2Very high89.6Confident27 Ų2781.5 Ų81.512%0.11841%0.411CS..Hα-helixtrans-64.4-42175.6-176.6-95.6000112.1L70 K86 I87 K88 Q92 K93 K103 I105L70-F90 HydrophobicContact CB-CD1 3.67Å; L70-F90 HydrophobicContact CB-CD2 3.9Å; L70-F90 HydrophobicContact CB-CE1 3.68Å; L70-F90 HydrophobicContact CB-CE2 3.92Å; L70-F90 HydrophobicContact CB-CG 3.77Å; L70-F90 HydrophobicContact CB-CZ 3.8Å; L70-F90 HydrophobicContact CD2-CB 3.67Å; L70-F90 HydrophobicContact CD2-CD1 4.11Å; L70-F90 HydrophobicContact CD2-CD2 4.43Å; L70-F90 HydrophobicContact CD2-CG 3.82Å; L70-F90 HydrophobicContact CG-CG 4.34Å; K86-F90 WeakPolarHBondContact O-CB 3.43Å; K86-F90 PolarHBondContact O-N 3.49Å; I87-F90 PolarHBondContact O-N 2.95Å; K88-F90 VanDerWaalsContact C-N 3.34Å; K88-F90 PolarHBondContact O-N 3.25Å; F90-Q92 VanDerWaalsContact C-N 3.25Å; F90-Q92 PolarHBondContact O-N 3.02Å; F90-K93 WeakPolarHBondContact O-CB 3.38Å; F90-K93 PolarHBondContact O-N 3.36Å; F90-K103 HydrophobicContact CE1-CB 4.04Å; F90-K103 HydrophobicContact CE1-CD 4.32Å; F90-K103 HydrophobicContact CZ-CB 4.41Å; F90-K103 HydrophobicContact CZ-CD 4.44Å; F90-K103 PolarHBondContact O-NZ 3.25Å; F90-I105 HydrophobicContact CD1-CD1 3.78Å; F90-I105 HydrophobicContact CD1-CG1 3.64Å; F90-I105 HydrophobicContact CE1-CD1 4.46Å; F90-I105 HydrophobicContact CE1-CG1 3.85Å
91A94Very high89.7Confident1 Ų182 Ų821%0.00841%0.41CS..Hα-helixtrans-62.2-32.9175.800000112.4I87 K88 K103 I124 Y128I87-A91 VanDerWaalsContact O-CB 3.28Å; I87-A91 WeakPolarHBondContact O-CB 3.47Å; I87-A91 PolarHBondContact O-N 3.38Å; K88-A91 PolarHBondContact O-N 3.41Å; A91-K103 VanDerWaalsContact C-NZ 3.28Å; A91-K103 PolarHBondContact O-NZ 2.93Å; A91-I124 HydrophobicContact CB-CG2 4.03Å; A91-Y128 HydrophobicContact CB-CD1 4.41Å; A91-Y128 HydrophobicContact CB-CD2 3.72Å; A91-Y128 HydrophobicContact CB-CE2 4.25Å; A91-Y128 HydrophobicContact CB-CG 3.81Å
92Q94Very high89.8Confident99 Ų9976.2 Ų76.246%0.46338%0.383SS..Hα-helixtrans-76.9-32.9175.7-73.8175.8-24.500114.1K88 M89 F90 K94 Y128K88-Q92 WeakPolarHBondContact O-CB 3.4Å; K88-Q92 VanDerWaalsContact O-CG 3.29Å; K88-Q92 WeakPolarHBondContact O-CG 3.36Å; K88-Q92 PolarHBondContact O-N 3.28Å; M89-Q92 PolarHBondContact O-N 3.14Å; F90-Q92 VanDerWaalsContact C-N 3.25Å; F90-Q92 PolarHBondContact O-N 3.02Å; Q92-K94 PolarHBondContact O-N 3.16Å; Q92-Y128 HydrophobicContact CG-CE1 3.88Å; Q92-Y128 HydrophobicContact CG-CE2 4.43Å; Q92-Y128 WeakPolarHBondContact CG-OH 3.4Å; Q92-Y128 PolarHBondContact NE2-OH 2.79Å; Q92-Y128 VanDerWaalsContact NE2-OH 3.14Å
93K93Very high90.2Very high105 Ų10575.4 Ų75.446%0.45738%0.377SS..SBendtrans-54122.8-179.8-176.7-174.1176.1-169.20110.5M89 F90 V95 K103M89-K93 PolarHBondContact O-N 2.79Å; F90-K93 WeakPolarHBondContact O-CB 3.38Å; F90-K93 PolarHBondContact O-N 3.36Å; K93-V95 HydrophobicContact CD-CG2 4.11Å; K93-V95 HydrophobicContact CG-CG2 4.14Å; K93-K103 PolarHBondContact O-NZ 3.14Å
94K88.8Confident90.5Very high208 Ų20875.6 Ų75.690%0.90438%0.378SS*.  trans-77.1129.1172.5-67.3-178-179.9179.90109Q92Q92-K94 PolarHBondContact O-N 3.16Å
95V89.5Confident90.9Very high30 Ų3068.2 Ų68.218%0.18235%0.35CS..  trans-130.6130175.5-179.20000106.6E67 A68 K93 L97 K103E67-V95 HydrophobicContact CB-CG1 4.33Å; A68-V95 HydrophobicContact CB-CG1 4.3Å; K93-V95 HydrophobicContact CD-CG2 4.11Å; K93-V95 HydrophobicContact CG-CG2 4.14Å; V95-L97 HydrophobicContact CG1-CD2 4.23Å; V95-L97 HydrophobicContact CG1-CG 4.25Å; V95-L97 PolarHBondContact O-N 3.27Å; V95-K103 HydrophobicContact CB-CD 4.2Å; V95-K103 HydrophobicContact CB-CG 4.4Å; V95-K103 HydrophobicContact CG2-CD 3.91Å
96S87.2Confident91.2Very high128 Ų12865 Ų6590%0.89533%0.331SS*.  trans-75.8109.8177.4-610000108.9
97L88.1Confident91.4Very high40 Ų4060.8 Ų60.821%0.20931%0.312CS..  trans-116.6155178.4-69.5178.3000110.4L61 A64 A68 V95 R101 Q102 K103L61-L97 HydrophobicContact CD2-CD1 4.1Å; L61-L97 HydrophobicContact CD2-CD2 3.91Å; A64-L97 HydrophobicContact CB-CD2 3.57Å; A68-L97 HydrophobicContact CB-CD1 4.11Å; A68-L97 HydrophobicContact CB-CD2 3.76Å; A68-L97 HydrophobicContact CB-CG 4.41Å; V95-L97 HydrophobicContact CG1-CD2 4.23Å; V95-L97 HydrophobicContact CG1-CG 4.25Å; V95-L97 PolarHBondContact O-N 3.27Å; L97-R101 HydrophobicContact CB-CB 4.32Å; L97-Q102 VanDerWaalsContact CD1-C 3.42Å; L97-K103 HydrophobicContact CD1-CG 3.99Å
98P83.6Confident91.4Very high88 Ų8862 Ų6257%0.57132%0.319SS*.  trans-54.6154170.1-22.933.4000111.7G100 R101P98-G100 PolarHBondContact O-N 2.93Å; P98-R101 HydrophobicContact CB-CG 4.13Å; P98-R101 WeakPolarHBondContact O-CB 3.41Å; P98-R101 PolarHBondContact O-N 3.41Å; P98-R101 VanDerWaalsContact O-N 3.09Å
99E79.6Confident91.3Very high198 Ų19860.9 Ų60.993%0.92532%0.315SS*.THydrogen-bonded Turntrans-56139.7179-166.9174.1-175.600111.5R101E99-R101 PolarHBondContact O-N 3.17Å
100G79.9Confident91.3Very high42 Ų4255.3 Ų55.343%0.43329%0.288SS..THydrogen-bonded Turntrans78.5-9.5-177.100000115.3G34 P98 Q102G34-G100 CarbonylContact C-O 3.59Å; P98-G100 PolarHBondContact O-N 2.93Å; G100-Q102 PolarHBondContact O-NE2 3.32Å
101R87.3Confident91.1Very high64 Ų6455 Ų5524%0.24229%0.287CS..  trans-96.3139.2-180-54.5-63.4169.1132.1-25111.6A31 L60 L97 P98 E99A31-R101 PolarHBondContact O-NH2 3.18Å; L60-R101 PolarHBondContact O-NH1 3.49Å; L97-R101 HydrophobicContact CB-CB 4.32Å; P98-R101 HydrophobicContact CB-CG 4.13Å; P98-R101 WeakPolarHBondContact O-CB 3.41Å; P98-R101 PolarHBondContact O-N 3.41Å; P98-R101 VanDerWaalsContact O-N 3.09Å; E99-R101 PolarHBondContact O-N 3.17Å
102Q92.1Very high91.1Very high25 Ų2557 Ų5712%0.11730%0.301CS..  trans-118.2159.3177.2-5787.813.600110.9L97 G100 R133L97-Q102 VanDerWaalsContact CD1-C 3.42Å; G100-Q102 PolarHBondContact O-NE2 3.32Å; Q102-R133 HydrophobicContact CB-CG 3.86Å; Q102-R133 HydrophobicContact CG-CG 4.21Å
103K95.2Very high90.9Very high7 Ų752.8 Ų52.83%0.0328%0.282CS..EExtended strand (participates in β ladder)trans-64.2152168.4-61.1176.2-63179.30109.8A68 F90 A91 K93 V95 L97 T131 T132 R133A68-K103 HydrophobicContact CB-CG 4.22Å; A68-K103 CarbonylContact O-C 3.55Å; A68-K103 VanDerWaalsContact O-CA 3.29Å; A68-K103 WeakPolarHBondContact O-CA 3.33Å; A68-K103 WeakPolarHBondContact O-CB 3.41Å; F90-K103 HydrophobicContact CE1-CB 4.04Å; F90-K103 HydrophobicContact CE1-CD 4.32Å; F90-K103 HydrophobicContact CZ-CB 4.41Å; F90-K103 HydrophobicContact CZ-CD 4.44Å; F90-K103 PolarHBondContact O-NZ 3.25Å; A91-K103 VanDerWaalsContact C-NZ 3.28Å; A91-K103 PolarHBondContact O-NZ 2.93Å; K93-K103 PolarHBondContact O-NZ 3.14Å; V95-K103 HydrophobicContact CB-CD 4.2Å; V95-K103 HydrophobicContact CB-CG 4.4Å; V95-K103 HydrophobicContact CG2-CD 3.91Å; L97-K103 HydrophobicContact CD1-CG 3.99Å; K103-T131 PolarHBondContact N-O 3.22Å; K103-T131 VanDerWaalsContact N-O 3.08Å; K103-T132 HydrophobicContact CB-CG2 4.46Å; K103-T132 WeakPolarHBondContact CE-OG1 3.41Å; K103-T132 CarbonylContact O-C 3.56Å; K103-T132 WeakPolarHBondContact O-CA 3.44Å; K103-R133 PolarHBondContact O-N 3.28Å
104I96Very high90.9Very high4 Ų451.2 Ų51.22%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-121.6129.4-179.8-56.7174.5000109.2L36 A57 L60 L61 A68 V69 L70 I106 R133 A135L36-I104 HydrophobicContact CD2-CD1 3.76Å; L36-I104 HydrophobicContact CD2-CG1 4.19Å; A57-I104 HydrophobicContact CB-CD1 3.98Å; L60-I104 HydrophobicContact CD1-CD1 3.94Å; L61-I104 HydrophobicContact CD1-CD1 3.98Å; L61-I104 HydrophobicContact CD1-CG1 4.14Å; A68-I104 PolarHBondContact O-N 3.43Å; V69-I104 VanDerWaalsContact CA-O 3.3Å; V69-I104 WeakPolarHBondContact CA-O 3.4Å; L70-I104 PolarHBondContact N-O 3.14Å; I104-I106 HydrophobicContact CG2-CG1 3.94Å; I104-R133 CarbonylContact C-O 3.59Å; I104-R133 WeakPolarHBondContact CA-O 3.25Å; I104-A135 HydrophobicContact CG2-CB 4.25Å
105I97.1Very high91Very high0 Ų047.7 Ų47.70%027%0.268CS..EExtended strand (participates in β ladder)trans-105.1119.2167.3-58.4-177.1000107.5L70 I87 F90 L107 T132 R133 F134 A135L70-I105 HydrophobicContact CB-CG1 4.34Å; L70-I105 HydrophobicContact CD2-CG2 4.42Å; L70-I105 CarbonylContact O-C 3.38Å; L70-I105 WeakPolarHBondContact O-CA 3.34Å; I87-I105 HydrophobicContact CB-CD1 4.5Å; I87-I105 HydrophobicContact CG2-CD1 3.6Å; F90-I105 HydrophobicContact CD1-CD1 3.78Å; F90-I105 HydrophobicContact CD1-CG1 3.64Å; F90-I105 HydrophobicContact CE1-CD1 4.46Å; F90-I105 HydrophobicContact CE1-CG1 3.85Å; I105-L107 HydrophobicContact CG2-CD2 4.01Å; I105-L107 HydrophobicContact CG2-CG 4.24Å; I105-T132 HydrophobicContact CD1-CG2 3.8Å; I105-T132 HydrophobicContact CG1-CG2 3.79Å; I105-R133 PolarHBondContact N-O 3.2Å; I105-F134 HydrophobicContact CB-CD1 3.92Å; I105-F134 HydrophobicContact CB-CE1 3.98Å; I105-F134 HydrophobicContact CD1-CE1 3.74Å; I105-F134 HydrophobicContact CD1-CZ 3.9Å; I105-F134 HydrophobicContact CG1-CE1 4.31Å; I105-F134 HydrophobicContact CG2-CD1 4.23Å; I105-F134 HydrophobicContact CG2-CE1 4.22Å; I105-F134 WeakPolarHBondContact O-CA 3.48Å; I105-A135 PolarHBondContact O-N 2.86Å
106I97.5Very high91.2Very high0 Ų048 Ų480%028%0.277CS..EExtended strand (participates in β ladder)trans-100.2122.4177.8-55.1174000107.6I53 L54 A57 V69 L70 E71 L72 I104 A135I53-I106 HydrophobicContact CG2-CB 4.31Å; I53-I106 HydrophobicContact CG2-CD1 3.68Å; I53-I106 HydrophobicContact CG2-CG1 3.62Å; I53-I106 HydrophobicContact CG2-CG2 3.85Å; L54-I106 HydrophobicContact CD2-CD1 3.74Å; A57-I106 HydrophobicContact CB-CD1 4.24Å; V69-I106 HydrophobicContact CG1-CD1 3.63Å; V69-I106 HydrophobicContact CG1-CG1 4.12Å; L70-I106 PolarHBondContact O-N 2.96Å; E71-I106 HydrophobicContact CB-CB 4.46Å; E71-I106 HydrophobicContact CG-CB 4.43Å; E71-I106 HydrophobicContact CG-CG2 4.46Å; L72-I106 PolarHBondContact N-O 2.87Å; I104-I106 HydrophobicContact CG2-CG1 3.94Å; I106-A135 VanDerWaalsContact CA-O 3.32Å; I106-A135 WeakPolarHBondContact CA-O 3.41Å
107L95.8Very high91.5Very high3 Ų342 Ų422%0.01624%0.235CC..EExtended strand (participates in β ladder)trans-116.4107.1173-58-179000108.3L72 I87 I105 A110 M113 L121 A135 L136 A137L72-L107 HydrophobicContact CB-CD2 3.8Å; L72-L107 HydrophobicContact CD1-CD2 3.92Å; L72-L107 HydrophobicContact CG-CD2 4.23Å; L72-L107 WeakPolarHBondContact O-CA 3.24Å; I87-L107 HydrophobicContact CD1-CD1 4.17Å; I87-L107 HydrophobicContact CD1-CD2 3.95Å; I105-L107 HydrophobicContact CG2-CD2 4.01Å; I105-L107 HydrophobicContact CG2-CG 4.24Å; L107-A110 HydrophobicContact CB-CB 4.32Å; L107-M113 HydrophobicContact CD1-SD 3.98Å; L107-L121 HydrophobicContact CD1-CD1 4.08Å; L107-L121 HydrophobicContact CD1-CD2 3.48Å; L107-L121 VanDerWaalsContact CD1-CD2 3.48Å; L107-L121 HydrophobicContact CD1-CG 4.45Å; L107-A135 PolarHBondContact N-O 2.77Å; L107-L136 HydrophobicContact CB-CD2 3.7Å; L107-L136 HydrophobicContact CD1-CD2 3.64Å; L107-L136 HydrophobicContact CG-CD2 3.85Å; L107-L136 WeakPolarHBondContact O-CA 3.26Å; L107-A137 PolarHBondContact O-N 2.76Å
108D94.8Very high91.9Very high27 Ų2740.3 Ų40.314%0.14423%0.226CC..EExtended strand (participates in β ladder)trans-82.1148.9171.1-154.80.3000110.5T50 L72 A74 A110 A137T50-D108 WeakPolarHBondContact CB-OD2 3.3Å; T50-D108 HydrophobicContact CG2-CB 4.33Å; T50-D108 WeakPolarHBondContact CG2-OD2 3.49Å; T50-D108 PolarHBondContact OG1-OD1 2.86Å; T50-D108 PolarHBondContact OG1-OD2 3.38Å; L72-D108 PolarHBondContact O-N 3.09Å; A74-D108 VanDerWaalsContact CB-O 3.25Å; A74-D108 WeakPolarHBondContact CB-O 3.07Å; A74-D108 PolarHBondContact N-O 3.28Å; D108-A110 PolarHBondContact O-N 2.97Å; D108-A137 WeakPolarHBondContact OD1-CB 3.33Å
109E93.5Very high92.4Very high65 Ų6539.8 Ų39.830%0.30422%0.216SC..THydrogen-bonded Turntrans51.940.4-176.3-55.5-175.414300113.3N73 A74 S75 D111 S112 A137N73-E109 PolarHBondContact ND2-OE2 3.46Å; N73-E109 PolarHBondContact OD1-OE2 3.26Å; A74-E109 WeakPolarHBondContact CB-O 3.34Å; S75-E109 WeakPolarHBondContact CB-OE2 3.26Å; S75-E109 PolarHBondContact OG-OE2 2.77Å; E109-D111 VanDerWaalsContact C-OD1 3.29Å; E109-D111 PolarHBondContact O-N 3.19Å; E109-S112 VanDerWaalsContact O-CB 3.25Å; E109-S112 WeakPolarHBondContact O-CB 3.48Å; E109-S112 PolarHBondContact O-N 3.14Å; E109-S112 PolarHBondContact O-OG 2.94Å; E109-A137 WeakPolarHBondContact CA-O 3.41Å; E109-A137 PolarHBondContact N-O 2.82Å
110A94.1Very high93.1Very high1 Ų131 Ų311%0.00818%0.177CC..G310 helixtrans-59-21.6-174.700000113.7L107 D108 S112 M113 L136 A137 L144L107-A110 HydrophobicContact CB-CB 4.32Å; D108-A110 PolarHBondContact O-N 2.97Å; A110-S112 PolarHBondContact O-N 2.76Å; A110-M113 WeakPolarHBondContact O-CB 3.42Å; A110-M113 WeakPolarHBondContact O-CG 3.05Å; A110-M113 PolarHBondContact O-N 3Å; A110-L136 HydrophobicContact CB-CB 4.09Å; A110-A137 PolarHBondContact N-O 2.9Å; A110-L144 HydrophobicContact CB-CD2 4.05Å; A110-L144 WeakPolarHBondContact O-CD2 3.31Å
111D93.1Very high93.9Very high19 Ų1929 Ų2910%0.10216%0.157CC..G310 helixtrans-67.8-10.3171.753.7-33.8000114.1E109 C138 N139 D140 K143E109-D111 VanDerWaalsContact C-OD1 3.29Å; E109-D111 PolarHBondContact O-N 3.19Å; D111-C138 HydrophobicContact CB-CB 3.94Å; D111-C138 WeakPolarHBondContact OD1-CB 3.49Å; D111-N139 PolarHBondContact OD2-N 3.03Å; D111-D140 PolarHBondContact OD2-N 3.28Å; D111-K143 HydrophobicContact CB-CB 3.78Å; D111-K143 HydrophobicContact CB-CD 3.98Å; D111-K143 HydrophobicContact CB-CG 4.49Å
112S92.2Very high94.2Very high43 Ų4328.9 Ų28.930%0.30116%0.156SC..G310 helixtrans-88.3-6.2172.9-58.80000113.6R78 E109 A110R78-S112 WeakPolarHBondContact CG-O 3.39Å; E109-S112 VanDerWaalsContact O-CB 3.25Å; E109-S112 WeakPolarHBondContact O-CB 3.48Å; E109-S112 PolarHBondContact O-N 3.14Å; E109-S112 PolarHBondContact O-OG 2.94Å; A110-S112 PolarHBondContact O-N 2.76Å
113M91.8Very high94.4Very high12 Ų1235 Ų356%0.05918%0.178CC..SBendtrans-71.7140.3178.1-67.2-173.271.700111.7A74 V83 L107 A110 A117 Q118 L121A74-M113 HydrophobicContact CB-CG 3.56Å; A74-M113 HydrophobicContact CB-SD 4.35Å; V83-M113 HydrophobicContact CG2-CE 3.45Å; V83-M113 VanDerWaalsContact CG2-CE 3.45Å; L107-M113 HydrophobicContact CD1-SD 3.98Å; A110-M113 WeakPolarHBondContact O-CB 3.42Å; A110-M113 WeakPolarHBondContact O-CG 3.05Å; A110-M113 PolarHBondContact O-N 3Å; M113-A117 HydrophobicContact CE-CB 3.66Å; M113-Q118 HydrophobicContact CB-CG 3.75Å; M113-Q118 PolarHBondContact O-NE2 2.63Å; M113-Q118 VanDerWaalsContact O-NE2 3.14Å; M113-L121 HydrophobicContact CE-CD2 4.36Å; M113-L121 HydrophobicContact SD-CD2 4.14Å
114T92Very high94.4Very high71 Ų7135.2 Ų35.244%0.43618%0.18SC..  trans-61.6148.817163.10000111.1R78 G116 A117 Q118R78-T114 PolarHBondContact O-OG1 3.3Å; T114-G116 VanDerWaalsContact C-N 3.26Å; T114-G116 PolarHBondContact O-N 3.21Å; T114-A117 WeakPolarHBondContact O-CA 3.34Å; T114-A117 WeakPolarHBondContact O-CB 3.15Å; T114-A117 PolarHBondContact O-N 2.69Å; T114-A117 VanDerWaalsContact OG1-CB 3.25Å; T114-A117 WeakPolarHBondContact OG1-CB 3.41Å; T114-A117 PolarHBondContact OG1-N 2.87Å; T114-Q118 WeakPolarHBondContact O-CG 3.45Å; T114-Q118 PolarHBondContact O-N 3.35Å
115E91.2Very high94.4Very high135 Ų13535.1 Ų35.163%0.63118%0.179SC*.Hα-helixtrans-55.7-42.4179-168.6-175.6170.500111.9A117 Q118 Q119 I145E115-A117 VanDerWaalsContact C-N 3.31Å; E115-A117 PolarHBondContact O-N 2.96Å; E115-Q118 WeakPolarHBondContact O-CB 3.48Å; E115-Q118 PolarHBondContact O-N 2.64Å; E115-Q118 VanDerWaalsContact O-N 3.14Å; E115-Q119 WeakPolarHBondContact O-CG 3.32Å; E115-Q119 PolarHBondContact O-N 3.26Å; E115-I145 HydrophobicContact CG-CG2 3.9Å
116G93.6Very high94.2Very high37 Ų3738.4 Ų38.438%0.38119%0.194SC..Hα-helixtrans-60.6-37.3175.500000113.5I80 T114 A120I80-G116 WeakPolarHBondContact CD1-O 3.37Å; T114-G116 VanDerWaalsContact C-N 3.26Å; T114-G116 PolarHBondContact O-N 3.21Å; G116-A120 PolarHBondContact O-N 2.86Å; G116-A120 VanDerWaalsContact O-N 3.09Å
117A93.7Very high94.1Very high0 Ų044.2 Ų44.20%023%0.225CC..Hα-helixtrans-67.9-41.3174.100000111.5R78 I80 V83 M113 T114 E115 A120 L121R78-A117 WeakPolarHBondContact O-CB 3.46Å; I80-A117 HydrophobicContact CB-CB 4.31Å; V83-A117 HydrophobicContact CG2-CB 3.98Å; M113-A117 HydrophobicContact CE-CB 3.66Å; T114-A117 WeakPolarHBondContact O-CA 3.34Å; T114-A117 WeakPolarHBondContact O-CB 3.15Å; T114-A117 PolarHBondContact O-N 2.69Å; T114-A117 VanDerWaalsContact OG1-CB 3.25Å; T114-A117 WeakPolarHBondContact OG1-CB 3.41Å; T114-A117 PolarHBondContact OG1-N 2.87Å; E115-A117 VanDerWaalsContact C-N 3.31Å; E115-A117 PolarHBondContact O-N 2.96Å; A117-A120 PolarHBondContact O-N 3.28Å; A117-L121 WeakPolarHBondContact O-CB 3.39Å; A117-L121 PolarHBondContact O-N 3.24Å
118Q95.3Very high94.1Very high6 Ų646.4 Ų46.43%0.02823%0.233CC..Hα-helixtrans-62.8-41.6174.9-64.5-170.939.300112M113 T114 E115 A120 L121 R122 K143 L144 I145 I148M113-Q118 HydrophobicContact CB-CG 3.75Å; M113-Q118 PolarHBondContact O-NE2 2.63Å; M113-Q118 VanDerWaalsContact O-NE2 3.14Å; T114-Q118 WeakPolarHBondContact O-CG 3.45Å; T114-Q118 PolarHBondContact O-N 3.35Å; E115-Q118 WeakPolarHBondContact O-CB 3.48Å; E115-Q118 PolarHBondContact O-N 2.64Å; E115-Q118 VanDerWaalsContact O-N 3.14Å; Q118-A120 VanDerWaalsContact C-N 3.33Å; Q118-A120 PolarHBondContact O-N 3.14Å; Q118-L121 WeakPolarHBondContact O-CB 3.33Å; Q118-L121 PolarHBondContact O-N 3.24Å; Q118-L121 VanDerWaalsContact O-N 3.14Å; Q118-R122 PolarHBondContact O-N 2.86Å; Q118-K143 PolarHBondContact NE2-O 2.92Å; Q118-K143 VanDerWaalsContact NE2-O 3.12Å; Q118-L144 VanDerWaalsContact OE1-CA 3.28Å; Q118-I145 HydrophobicContact CB-CD1 3.84Å; Q118-I145 HydrophobicContact CB-CG1 3.99Å; Q118-I145 HydrophobicContact CB-CG2 4.3Å; Q118-I148 HydrophobicContact CB-CD1 3.75Å; Q118-I148 HydrophobicContact CG-CD1 4.26Å
119Q95.1Very high93.9Very high76 Ų7647.4 Ų47.436%0.35524%0.242SC..Hα-helixtrans-62.9-39.7175.2-68.9-65.7-6.400112.2E115 R123 I145E115-Q119 WeakPolarHBondContact O-CG 3.32Å; E115-Q119 PolarHBondContact O-N 3.26Å; Q119-R123 PolarHBondContact O-N 3.28Å; Q119-I145 VanDerWaalsContact CD-CD1 3.48Å; Q119-I145 HydrophobicContact CG-CD1 4.04Å
120A94.7Very high93.7Very high13 Ų1355 Ų5511%0.10727%0.268CS..Hα-helixtrans-65.1-40.717300000111.7I80 V83 G116 A117 Q118 R123 I124I80-A120 HydrophobicContact CD1-CB 4.09Å; I80-A120 HydrophobicContact CG1-CB 3.81Å; V83-A120 HydrophobicContact CB-CB 4.31Å; V83-A120 HydrophobicContact CG1-CB 3.8Å; G116-A120 PolarHBondContact O-N 2.86Å; G116-A120 VanDerWaalsContact O-N 3.09Å; A117-A120 PolarHBondContact O-N 3.28Å; Q118-A120 VanDerWaalsContact C-N 3.33Å; Q118-A120 PolarHBondContact O-N 3.14Å; A120-R123 PolarHBondContact O-N 2.64Å; A120-I124 PolarHBondContact O-N 3.04Å
121L95.5Very high93.6Very high1 Ų158.3 Ų58.31%0.00529%0.288CS..Hα-helixtrans-63.1-47.2179.9-177.965.3000110.9V83 I87 L107 M113 A117 Q118 R123 I124 M125 F134 L136 I148V83-L121 HydrophobicContact CG1-CB 4.04Å; V83-L121 HydrophobicContact CG1-CD1 4.38Å; I87-L121 HydrophobicContact CD1-CD1 3.98Å; I87-L121 HydrophobicContact CG2-CD1 4.04Å; L107-L121 HydrophobicContact CD1-CD1 4.08Å; L107-L121 HydrophobicContact CD1-CD2 3.48Å; L107-L121 VanDerWaalsContact CD1-CD2 3.48Å; L107-L121 HydrophobicContact CD1-CG 4.45Å; M113-L121 HydrophobicContact CE-CD2 4.36Å; M113-L121 HydrophobicContact SD-CD2 4.14Å; A117-L121 WeakPolarHBondContact O-CB 3.39Å; A117-L121 PolarHBondContact O-N 3.24Å; Q118-L121 WeakPolarHBondContact O-CB 3.33Å; Q118-L121 PolarHBondContact O-N 3.24Å; Q118-L121 VanDerWaalsContact O-N 3.14Å; L121-R123 VanDerWaalsContact C-N 3.25Å; L121-R123 PolarHBondContact O-N 3.43Å; L121-I124 WeakPolarHBondContact O-CB 3.36Å; L121-I124 PolarHBondContact O-N 2.69Å; L121-M125 HydrophobicContact CG-CG 4.34Å; L121-M125 HydrophobicContact CG-SD 4.1Å; L121-M125 WeakPolarHBondContact O-CG 3.42Å; L121-M125 PolarHBondContact O-N 2.9Å; L121-F134 HydrophobicContact CD1-CD1 3.9Å; L121-F134 HydrophobicContact CD1-CE1 3.49Å; L121-F134 VanDerWaalsContact CD1-CE1 3.49Å; L121-F134 HydrophobicContact CD1-CZ 4.39Å; L121-L136 HydrophobicContact CD2-CD2 4.47Å; L121-I148 HydrophobicContact CB-CD1 4.49Å; L121-I148 HydrophobicContact CD2-CD1 4.11Å
122R94.9Very high93.7Very high62 Ų6257.4 Ų57.423%0.23428%0.284CS..Hα-helixtrans-46.9-48.5173.2173.7-148.8168.2-84-4.9111.6Q118 I124 M125 E126 P147 I148Q118-R122 PolarHBondContact O-N 2.86Å; R122-I124 PolarHBondContact O-N 3.46Å; R122-M125 WeakPolarHBondContact O-CB 3.47Å; R122-M125 PolarHBondContact O-N 2.91Å; R122-E126 IonicContact CZ-OE1 2.63Å; R122-E126 IonicContact CZ-OE2 3.05Å; R122-E126 VanDerWaalsContact CZ-OE2 3.31Å; R122-E126 IonicContact NE-OE1 2.63Å; R122-E126 IonicContact NH1-OE1 3.16Å; R122-E126 PolarHBondContact NH1-OE1 3.3Å; R122-E126 IonicContact NH1-OE2 3.03Å; R122-E126 PolarHBondContact NH1-OE2 3.4Å; R122-E126 IonicContact NH2-OE1 3.73Å; R122-E126 PolarHBondContact NH2-OE1 3.05Å; R122-E126 IonicContact NH2-OE2 3.38Å; R122-E126 PolarHBondContact NH2-OE2 3.12Å; R122-E126 WeakPolarHBondContact O-CG 3.38Å; R122-E126 PolarHBondContact O-N 2.79Å; R122-E126 VanDerWaalsContact O-N 3.13Å; R122-P147 HydrophobicContact CG-CB 3.88Å; R122-I148 HydrophobicContact CB-CG1 4.21Å
123R94.8Very high93.9Very high153 Ų15357 Ų5758%0.57728%0.275SS*.Hα-helixtrans-63.4-40180-69.5179.463.6-156.70.1112.4Q119 A120 L121 E126 L127Q119-R123 PolarHBondContact O-N 3.28Å; A120-R123 PolarHBondContact O-N 2.64Å; L121-R123 VanDerWaalsContact C-N 3.25Å; L121-R123 PolarHBondContact O-N 3.43Å; R123-E126 PolarHBondContact O-N 3.43Å; R123-L127 WeakPolarHBondContact O-CG 3.17Å; R123-L127 PolarHBondContact O-N 3.14Å
124I95.7Very high94.1Very high12 Ų1256.5 Ų56.56%0.06227%0.273CS..Hα-helixtrans-67.5-41.6177.9-63.2178.2000110.3V83 I87 K88 A91 A120 L121 R122 E126 L127 Y128 F134V83-I124 HydrophobicContact CG1-CD1 3.6Å; V83-I124 WeakPolarHBondContact O-CD1 3.38Å; I87-I124 HydrophobicContact CG2-CD1 4.24Å; I87-I124 HydrophobicContact CG2-CG2 4.22Å; K88-I124 HydrophobicContact CB-CD1 3.84Å; K88-I124 HydrophobicContact CG-CD1 4.37Å; A91-I124 HydrophobicContact CB-CG2 4.03Å; A120-I124 PolarHBondContact O-N 3.04Å; L121-I124 WeakPolarHBondContact O-CB 3.36Å; L121-I124 PolarHBondContact O-N 2.69Å; R122-I124 PolarHBondContact O-N 3.46Å; I124-E126 PolarHBondContact O-N 3.36Å; I124-L127 PolarHBondContact O-N 3.36Å; I124-Y128 HydrophobicContact CG2-CD2 3.67Å; I124-Y128 HydrophobicContact CG2-CE2 4.23Å; I124-Y128 WeakPolarHBondContact O-CD2 3.49Å; I124-Y128 PolarHBondContact O-N 2.97Å; I124-F134 HydrophobicContact CG2-CZ 3.95Å
125M95.4Very high94.4Very high2 Ų253.1 Ų53.11%0.0125%0.252CS..Hα-helixtrans-56.8-39.8175.6-65.5169.871.500111.7N38 L121 R122 S129 F134 I148 R151 C152N38-M125 HydrophobicContact CB-CE 4.14Å; L121-M125 HydrophobicContact CG-CG 4.34Å; L121-M125 HydrophobicContact CG-SD 4.1Å; L121-M125 WeakPolarHBondContact O-CG 3.42Å; L121-M125 PolarHBondContact O-N 2.9Å; R122-M125 WeakPolarHBondContact O-CB 3.47Å; R122-M125 PolarHBondContact O-N 2.91Å; M125-S129 WeakPolarHBondContact O-CA 3.24Å; M125-S129 VanDerWaalsContact O-CB 3.27Å; M125-S129 WeakPolarHBondContact O-CB 3.49Å; M125-S129 PolarHBondContact O-N 3.04Å; M125-F134 HydrophobicContact CB-CD2 4.21Å; M125-F134 HydrophobicContact CB-CE2 4.12Å; M125-F134 HydrophobicContact CE-CB 4.26Å; M125-F134 HydrophobicContact CE-CG 4.49Å; M125-F134 HydrophobicContact CG-CD1 4.06Å; M125-F134 HydrophobicContact CG-CD2 3.55Å; M125-F134 HydrophobicContact CG-CE1 4.13Å; M125-F134 HydrophobicContact CG-CE2 3.64Å; M125-F134 HydrophobicContact CG-CG 3.77Å; M125-F134 HydrophobicContact CG-CZ 3.93Å; M125-I148 HydrophobicContact CE-CG2 4.41Å; M125-I148 HydrophobicContact SD-CG1 4.28Å; M125-I148 HydrophobicContact SD-CG2 4.36Å; M125-R151 HydrophobicContact CE-CB 4.35Å; M125-C152 VanDerWaalsContact CE-SG 3.59Å
126E94.4Very high94.7Very high69 Ų6946.7 Ų46.732%0.32222%0.222SC..Hα-helixtrans-68.3-53.3176.3-70.1176.5157.500112.2R122 R123 I124 Y128 S129 R151R122-E126 IonicContact CZ-OE1 2.63Å; R122-E126 IonicContact CZ-OE2 3.05Å; R122-E126 VanDerWaalsContact CZ-OE2 3.31Å; R122-E126 IonicContact NE-OE1 2.63Å; R122-E126 IonicContact NH1-OE1 3.16Å; R122-E126 PolarHBondContact NH1-OE1 3.3Å; R122-E126 IonicContact NH1-OE2 3.03Å; R122-E126 PolarHBondContact NH1-OE2 3.4Å; R122-E126 IonicContact NH2-OE1 3.73Å; R122-E126 PolarHBondContact NH2-OE1 3.05Å; R122-E126 IonicContact NH2-OE2 3.38Å; R122-E126 PolarHBondContact NH2-OE2 3.12Å; R122-E126 WeakPolarHBondContact O-CG 3.38Å; R122-E126 PolarHBondContact O-N 2.79Å; R122-E126 VanDerWaalsContact O-N 3.13Å; R123-E126 PolarHBondContact O-N 3.43Å; I124-E126 PolarHBondContact O-N 3.36Å; E126-Y128 VanDerWaalsContact C-N 3.32Å; E126-Y128 PolarHBondContact O-N 3.26Å; E126-S129 WeakPolarHBondContact O-CB 3.47Å; E126-S129 PolarHBondContact O-N 2.85Å; E126-S129 PolarHBondContact O-OG 3.25Å; E126-R151 IonicContact OE1-CZ 3.08Å; E126-R151 IonicContact OE1-NE 2.96Å; E126-R151 PolarHBondContact OE1-NE 3.32Å; E126-R151 IonicContact OE1-NH2 2.65Å; E126-R151 PolarHBondContact OE1-NH2 3.03Å
127L95Very high94.8Very high122 Ų12245 Ų4564%0.63920%0.204SC*.Hα-helixtrans-62-38.6-174.7-74169.3000112.8R123 I124R123-L127 WeakPolarHBondContact O-CG 3.17Å; R123-L127 PolarHBondContact O-N 3.14Å; I124-L127 PolarHBondContact O-N 3.36Å
128Y94.3Very high94.9Very high49 Ų4945 Ų4519%0.19220%0.204CC..THydrogen-bonded Turntrans-10817.8-175.2-58.7-74000113A91 Q92 I124 E126 R130 T131 T132A91-Y128 HydrophobicContact CB-CD1 4.41Å; A91-Y128 HydrophobicContact CB-CD2 3.72Å; A91-Y128 HydrophobicContact CB-CE2 4.25Å; A91-Y128 HydrophobicContact CB-CG 3.81Å; Q92-Y128 HydrophobicContact CG-CE1 3.88Å; Q92-Y128 HydrophobicContact CG-CE2 4.43Å; Q92-Y128 WeakPolarHBondContact CG-OH 3.4Å; Q92-Y128 PolarHBondContact NE2-OH 2.79Å; Q92-Y128 VanDerWaalsContact NE2-OH 3.14Å; I124-Y128 HydrophobicContact CG2-CD2 3.67Å; I124-Y128 HydrophobicContact CG2-CE2 4.23Å; I124-Y128 WeakPolarHBondContact O-CD2 3.49Å; I124-Y128 PolarHBondContact O-N 2.97Å; E126-Y128 VanDerWaalsContact C-N 3.32Å; E126-Y128 PolarHBondContact O-N 3.26Å; Y128-R130 PolarHBondContact O-N 3.31Å; Y128-T131 PolarHBondContact O-N 3.04Å; Y128-T131 PolarHBondContact O-OG1 3.3Å; Y128-T132 PolarHBondContact O-N 3.25Å
129S91.8Very high94.8Very high48 Ų4848.1 Ų48.134%0.33622%0.221SC..THydrogen-bonded Turntrans-57.2-16.8178.9560000114.3M125 E126 R133M125-S129 WeakPolarHBondContact O-CA 3.24Å; M125-S129 VanDerWaalsContact O-CB 3.27Å; M125-S129 WeakPolarHBondContact O-CB 3.49Å; M125-S129 PolarHBondContact O-N 3.04Å; E126-S129 WeakPolarHBondContact O-CB 3.47Å; E126-S129 PolarHBondContact O-N 2.85Å; E126-S129 PolarHBondContact O-OG 3.25Å; S129-R133 PolarHBondContact O-NH1 3.23Å
130R90.1Very high94.6Very high225 Ų22547.5 Ų47.585%0.84922%0.22SC*.THydrogen-bonded Turntrans-86.8-25.3175.7-66.3-176.1-179.4179.7-0.3113.5Y128Y128-R130 PolarHBondContact O-N 3.31Å
131T91.7Very high94.5Very high70 Ų7047.4 Ų47.443%0.42922%0.219SC..THydrogen-bonded Turntrans-116.6-18.3-168.7570000113.6K103 Y128K103-T131 PolarHBondContact N-O 3.22Å; K103-T131 VanDerWaalsContact N-O 3.08Å; Y128-T131 PolarHBondContact O-N 3.04Å; Y128-T131 PolarHBondContact O-OG1 3.3Å
132T94.8Very high94.3Very high0 Ų051.2 Ų51.20%025%0.246CC..EExtended strand (participates in β ladder)trans-139133.8-170.8-49.50000110K103 I105 Y128 F134K103-T132 HydrophobicContact CB-CG2 4.46Å; K103-T132 WeakPolarHBondContact CE-OG1 3.41Å; K103-T132 CarbonylContact O-C 3.56Å; K103-T132 WeakPolarHBondContact O-CA 3.44Å; I105-T132 HydrophobicContact CD1-CG2 3.8Å; I105-T132 HydrophobicContact CG1-CG2 3.79Å; Y128-T132 PolarHBondContact O-N 3.25Å; T132-F134 HydrophobicContact CG2-CE2 3.98Å; T132-F134 HydrophobicContact CG2-CZ 4.22Å
133R95.6Very high94.2Very high35 Ų3554.2 Ų54.213%0.13226%0.26CS..EExtended strand (participates in β ladder)trans-111154.8171.5-61.5-60.5-177.5-145.2-3.3110.4N35 L36 N38 Q102 K103 I104 I105 S129N35-R133 PolarHBondContact OD1-NH2 3.44Å; L36-R133 HydrophobicContact CB-CG 4.49Å; L36-R133 HydrophobicContact CD2-CB 4.3Å; L36-R133 WeakPolarHBondContact O-CD 3.47Å; L36-R133 VanDerWaalsContact O-CG 3.32Å; L36-R133 WeakPolarHBondContact O-CG 3.44Å; L36-R133 PolarHBondContact O-NE 3.39Å; N38-R133 WeakPolarHBondContact OD1-CA 3.49Å; Q102-R133 HydrophobicContact CB-CG 3.86Å; Q102-R133 HydrophobicContact CG-CG 4.21Å; K103-R133 PolarHBondContact O-N 3.28Å; I104-R133 CarbonylContact C-O 3.59Å; I104-R133 WeakPolarHBondContact CA-O 3.25Å; I105-R133 PolarHBondContact N-O 3.2Å; S129-R133 PolarHBondContact O-NH1 3.23Å
134F97.4Very high94.2Very high0 Ų047.1 Ų47.10%023%0.234CC..EExtended strand (participates in β ladder)trans-119.9132.3-178.8-68-100.8000109.5N38 I39 I87 I105 L121 I124 M125 T132 L136N38-F134 CarbonylContact C-O 3.58Å; N38-F134 VanDerWaalsContact CA-O 3.23Å; N38-F134 WeakPolarHBondContact CA-O 3.47Å; N38-F134 HydrophobicContact CB-CB 4.42Å; N38-F134 PolarHBondContact OD1-N 3.13Å; I39-F134 PolarHBondContact N-O 3.46Å; I87-F134 HydrophobicContact CG2-CE1 3.89Å; I87-F134 HydrophobicContact CG2-CZ 4.35Å; I105-F134 HydrophobicContact CB-CD1 3.92Å; I105-F134 HydrophobicContact CB-CE1 3.98Å; I105-F134 HydrophobicContact CD1-CE1 3.74Å; I105-F134 HydrophobicContact CD1-CZ 3.9Å; I105-F134 HydrophobicContact CG1-CE1 4.31Å; I105-F134 HydrophobicContact CG2-CD1 4.23Å; I105-F134 HydrophobicContact CG2-CE1 4.22Å; I105-F134 WeakPolarHBondContact O-CA 3.48Å; L121-F134 HydrophobicContact CD1-CD1 3.9Å; L121-F134 HydrophobicContact CD1-CE1 3.49Å; L121-F134 VanDerWaalsContact CD1-CE1 3.49Å; L121-F134 HydrophobicContact CD1-CZ 4.39Å; I124-F134 HydrophobicContact CG2-CZ 3.95Å; M125-F134 HydrophobicContact CB-CD2 4.21Å; M125-F134 HydrophobicContact CB-CE2 4.12Å; M125-F134 HydrophobicContact CE-CB 4.26Å; M125-F134 HydrophobicContact CE-CG 4.49Å; M125-F134 HydrophobicContact CG-CD1 4.06Å; M125-F134 HydrophobicContact CG-CD2 3.55Å; M125-F134 HydrophobicContact CG-CE1 4.13Å; M125-F134 HydrophobicContact CG-CE2 3.64Å; M125-F134 HydrophobicContact CG-CG 3.77Å; M125-F134 HydrophobicContact CG-CZ 3.93Å; T132-F134 HydrophobicContact CG2-CE2 3.98Å; T132-F134 HydrophobicContact CG2-CZ 4.22Å; F134-L136 HydrophobicContact CB-CD2 4.4Å
135A97Very high94.2Very high0 Ų047.6 Ų47.60%024%0.236CC..EExtended strand (participates in β ladder)trans-122.7111.5173.900000108.6I39 I53 I104 I105 I106 L107I39-A135 HydrophobicContact CD1-CB 3.91Å; I39-A135 HydrophobicContact CG1-CB 3.59Å; I39-A135 WeakPolarHBondContact O-CA 3.47Å; I53-A135 HydrophobicContact CB-CB 4.46Å; I53-A135 HydrophobicContact CD1-CB 4.06Å; I53-A135 HydrophobicContact CG1-CB 4.27Å; I53-A135 HydrophobicContact CG2-CB 3.36Å; I104-A135 HydrophobicContact CG2-CB 4.25Å; I105-A135 PolarHBondContact O-N 2.86Å; I106-A135 VanDerWaalsContact CA-O 3.32Å; I106-A135 WeakPolarHBondContact CA-O 3.41Å; L107-A135 PolarHBondContact N-O 2.77Å
136L97.2Very high94.2Very high1 Ų153.4 Ų53.41%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-108.2119.9-172.2-49.6-177.6000108.9I39 I40 I41 L107 A110 L121 F134 L144 I148I39-L136 PolarHBondContact O-N 3.32Å; I40-L136 CarbonylContact C-O 3.56Å; I40-L136 WeakPolarHBondContact CA-O 3.43Å; I40-L136 HydrophobicContact CG1-CB 4.05Å; I40-L136 HydrophobicContact CG1-CD1 3.97Å; I40-L136 HydrophobicContact CG1-CG 4.34Å; I41-L136 PolarHBondContact N-O 3.4Å; L107-L136 HydrophobicContact CB-CD2 3.7Å; L107-L136 HydrophobicContact CD1-CD2 3.64Å; L107-L136 HydrophobicContact CG-CD2 3.85Å; L107-L136 WeakPolarHBondContact O-CA 3.26Å; A110-L136 HydrophobicContact CB-CB 4.09Å; L121-L136 HydrophobicContact CD2-CD2 4.47Å; F134-L136 HydrophobicContact CB-CD2 4.4Å; L136-L144 HydrophobicContact CD1-CD1 4.49Å; L136-I148 HydrophobicContact CD1-CG2 3.49Å; L136-I148 VanDerWaalsContact CD1-CG2 3.49Å
137A97.1Very high94.2Very high0 Ų052 Ų520%026%0.26CS..EExtended strand (participates in β ladder)trans-97.4135168.400000109.3I41 K49 I53 L107 D108 E109 A110I41-A137 WeakPolarHBondContact O-CA 3.38Å; K49-A137 HydrophobicContact CB-CB 4.29Å; I53-A137 HydrophobicContact CD1-CB 3.88Å; L107-A137 PolarHBondContact O-N 2.76Å; D108-A137 WeakPolarHBondContact OD1-CB 3.33Å; E109-A137 WeakPolarHBondContact CA-O 3.41Å; E109-A137 PolarHBondContact N-O 2.82Å; A110-A137 PolarHBondContact N-O 2.9Å
138C95.4Very high94.3Very high1 Ų146.2 Ų46.21%0.00723%0.23CC..EExtended strand (participates in β ladder)trans-149.3157.1178.359.10000110.8I41 A42 G43 K49 D111I41-C138 PolarHBondContact O-N 3.19Å; A42-C138 WeakPolarHBondContact CA-O 3.28Å; G43-C138 PolarHBondContact N-O 3.45Å; K49-C138 WeakPolarHBondContact CD-O 3.49Å; K49-C138 WeakPolarHBondContact CE-O 3.25Å; D111-C138 HydrophobicContact CB-CB 3.94Å; D111-C138 WeakPolarHBondContact OD1-CB 3.49Å
139N93.4Very high94.4Very high72 Ų7245.6 Ų45.639%0.38523%0.229SC..SBendtrans-81.6-40.3172.8-66.3-40.5000110.7G43 K49 D111G43-N139 WeakPolarHBondContact O-CA 3.47Å; G43-N139 PolarHBondContact O-OD1 2.9Å; K49-N139 PolarHBondContact NZ-OD1 3.11Å; D111-N139 PolarHBondContact OD2-N 3.03Å
140D90.3Very high94.5Very high63 Ų6347.5 Ų47.534%0.33724%0.242SC..  trans-127.3110.8179.7-176.7-1.4000111.5D111 S142 K143D111-D140 PolarHBondContact OD2-N 3.28Å; D140-S142 PolarHBondContact O-N 2.92Å; D140-S142 VanDerWaalsContact OD1-CB 3.23Å; D140-S142 WeakPolarHBondContact OD1-CB 2.93Å; D140-S142 PolarHBondContact OD1-N 3.49Å; D140-S142 PolarHBondContact OD1-OG 3.12Å; D140-S142 PolarHBondContact OD2-OG 3.31Å; D140-K143 HydrophobicContact CB-CD 4.26Å; D140-K143 HydrophobicContact CB-CG 4.34Å; D140-K143 PolarHBondContact O-N 3.39Å
141S92Very high94.6Very high10 Ų1041 Ų417%0.0722%0.218CC..G310 helixtrans-64.5-23.9178.2580000112.8K143 L144 Q149 R156S141-K143 PolarHBondContact O-N 2.86Å; S141-L144 WeakPolarHBondContact O-CB 3.25Å; S141-L144 PolarHBondContact O-N 3.3Å; S141-Q149 PolarHBondContact O-NE2 3.15Å; S141-R156 PolarHBondContact OG-NH1 3.29Å
142S91.3Very high94.8Very high82 Ų8238.3 Ų38.357%0.57320%0.202SC*.G310 helixtrans-68-22.7-176.975.80000113.4D140 L144D140-S142 PolarHBondContact O-N 2.92Å; D140-S142 VanDerWaalsContact OD1-CB 3.23Å; D140-S142 WeakPolarHBondContact OD1-CB 2.93Å; D140-S142 PolarHBondContact OD1-N 3.49Å; D140-S142 PolarHBondContact OD1-OG 3.12Å; D140-S142 PolarHBondContact OD2-OG 3.31Å; S142-L144 PolarHBondContact O-N 3.41Å
143K93Very high94.8Very high124 Ų12440 Ų4054%0.53922%0.215SC..G310 helixtrans-75.3-11.1173.5-65.7-179.9179.7177.30113.2D111 Q118 D140 S141D111-K143 HydrophobicContact CB-CB 3.78Å; D111-K143 HydrophobicContact CB-CD 3.98Å; D111-K143 HydrophobicContact CB-CG 4.49Å; Q118-K143 PolarHBondContact NE2-O 2.92Å; Q118-K143 VanDerWaalsContact NE2-O 3.12Å; D140-K143 HydrophobicContact CB-CD 4.26Å; D140-K143 HydrophobicContact CB-CG 4.34Å; D140-K143 PolarHBondContact O-N 3.39Å; S141-K143 PolarHBondContact O-N 2.86Å
144L94.9Very high94.7Very high5 Ų540.5 Ų40.53%0.02622%0.222CC..SBendtrans-84.8136.5171.7-61.1178.4000109.9I40 A110 Q118 L136 S141 S142 Q149I40-L144 HydrophobicContact CD1-CD1 3.86Å; I40-L144 HydrophobicContact CG1-CD1 4.12Å; I40-L144 HydrophobicContact CG2-CD1 4.06Å; A110-L144 HydrophobicContact CB-CD2 4.05Å; A110-L144 WeakPolarHBondContact O-CD2 3.31Å; Q118-L144 VanDerWaalsContact OE1-CA 3.28Å; L136-L144 HydrophobicContact CD1-CD1 4.49Å; S141-L144 WeakPolarHBondContact O-CB 3.25Å; S141-L144 PolarHBondContact O-N 3.3Å; S142-L144 PolarHBondContact O-N 3.41Å; L144-Q149 HydrophobicContact CB-CG 4.09Å; L144-Q149 PolarHBondContact O-NE2 3.17Å
145I95.8Very high94.5Very high21 Ų2140.7 Ų40.711%0.10822%0.223CC..  trans-62.3141.9178.164.3173.5000110.9E115 Q118 Q119 P147 I148 Q149E115-I145 HydrophobicContact CG-CG2 3.9Å; Q118-I145 HydrophobicContact CB-CD1 3.84Å; Q118-I145 HydrophobicContact CB-CG1 3.99Å; Q118-I145 HydrophobicContact CB-CG2 4.3Å; Q119-I145 VanDerWaalsContact CD-CD1 3.48Å; Q119-I145 HydrophobicContact CG-CD1 4.04Å; I145-P147 VanDerWaalsContact C-N 3.28Å; I145-P147 HydrophobicContact CD1-CB 4.4Å; I145-P147 HydrophobicContact CD1-CG 4.39Å; I145-P147 VanDerWaalsContact O-N 3.16Å; I145-I148 HydrophobicContact CD1-CD1 4.24Å; I145-I148 HydrophobicContact CD1-CG1 4.13Å; I145-I148 HydrophobicContact CG1-CB 4.18Å; I145-I148 HydrophobicContact CG1-CD1 3.91Å; I145-I148 HydrophobicContact CG1-CG1 3.76Å; I145-I148 PolarHBondContact O-N 3.29Å; I145-Q149 PolarHBondContact O-N 3.41Å
146E95.5Very high94.4Very high125 Ų12548.4 Ų48.458%0.58425%0.253SS*.Hα-helixtrans-51.9-38.3-179.4-173.658.5-159.100114I148 Q149 S150E146-I148 VanDerWaalsContact C-N 3.26Å; E146-I148 PolarHBondContact O-N 2.94Å; E146-Q149 PolarHBondContact O-N 2.71Å; E146-S150 WeakPolarHBondContact O-CB 3.41Å; E146-S150 PolarHBondContact O-N 2.83Å
147P95.5Very high94.3Very high39 Ų3948.8 Ų48.825%0.25325%0.254SS..Hα-helixtrans-58.8-31.3175-27.636.8000115.2R122 I145 R151R122-P147 HydrophobicContact CG-CB 3.88Å; I145-P147 VanDerWaalsContact C-N 3.28Å; I145-P147 HydrophobicContact CD1-CB 4.4Å; I145-P147 HydrophobicContact CD1-CG 4.39Å; I145-P147 VanDerWaalsContact O-N 3.16Å; P147-R151 VanDerWaalsContact O-CD 3.3Å; P147-R151 WeakPolarHBondContact O-CD 3.26Å; P147-R151 PolarHBondContact O-NH1 3.18Å
148I96.5Very high94.2Very high0 Ų051.5 Ų51.50%028%0.276CS..Hα-helixtrans-75.8-48.2174.4-69.4179.7000109.3I40 Q118 L121 R122 M125 L136 I145 E146 S150 R151 C152I40-I148 HydrophobicContact CD1-CG2 4.26Å; Q118-I148 HydrophobicContact CB-CD1 3.75Å; Q118-I148 HydrophobicContact CG-CD1 4.26Å; L121-I148 HydrophobicContact CB-CD1 4.49Å; L121-I148 HydrophobicContact CD2-CD1 4.11Å; R122-I148 HydrophobicContact CB-CG1 4.21Å; M125-I148 HydrophobicContact CE-CG2 4.41Å; M125-I148 HydrophobicContact SD-CG1 4.28Å; M125-I148 HydrophobicContact SD-CG2 4.36Å; L136-I148 HydrophobicContact CD1-CG2 3.49Å; L136-I148 VanDerWaalsContact CD1-CG2 3.49Å; I145-I148 HydrophobicContact CD1-CD1 4.24Å; I145-I148 HydrophobicContact CD1-CG1 4.13Å; I145-I148 HydrophobicContact CG1-CB 4.18Å; I145-I148 HydrophobicContact CG1-CD1 3.91Å; I145-I148 HydrophobicContact CG1-CG1 3.76Å; I145-I148 PolarHBondContact O-N 3.29Å; E146-I148 VanDerWaalsContact C-N 3.26Å; E146-I148 PolarHBondContact O-N 2.94Å; I148-S150 VanDerWaalsContact C-N 3.34Å; I148-S150 PolarHBondContact O-N 3.48Å; I148-R151 PolarHBondContact O-N 3.25Å; I148-C152 PolarHBondContact O-N 3.03Å; I148-C152 PolarHBondContact O-SG 3.16Å; I148-C152 VanDerWaalsContact O-SG 3.41Å
149Q95.5Very high94.2Very high37 Ų3756.7 Ų56.717%0.17330%0.296CS..Hα-helixtrans-56-47.5-179.1-63.8-169.654.200112I40 S141 L144 I145 E146 R151 C152I40-Q149 HydrophobicContact CD1-CB 4.46Å; I40-Q149 HydrophobicContact CD1-CG 4.23Å; S141-Q149 PolarHBondContact O-NE2 3.15Å; L144-Q149 HydrophobicContact CB-CG 4.09Å; L144-Q149 PolarHBondContact O-NE2 3.17Å; I145-Q149 PolarHBondContact O-N 3.41Å; E146-Q149 PolarHBondContact O-N 2.71Å; Q149-R151 PolarHBondContact O-N 3.04Å; Q149-R151 VanDerWaalsContact O-N 3.08Å; Q149-C152 PolarHBondContact O-N 2.63Å; Q149-C152 VanDerWaalsContact O-O 3.06Å
150S93.6Very high94.4Very high88 Ų8853.8 Ų53.862%0.61528%0.28SS*.THydrogen-bonded Turntrans-58.7-22.4178.2170.50000114.2E146 I148E146-S150 WeakPolarHBondContact O-CB 3.41Å; E146-S150 PolarHBondContact O-N 2.83Å; I148-S150 VanDerWaalsContact C-N 3.34Å; I148-S150 PolarHBondContact O-N 3.48Å
151R94.1Very high94.6Very high88 Ų8854.4 Ų54.433%0.33229%0.286SS..THydrogen-bonded Turntrans-981.5-179.5-73166.5-17755.410.8113.5N38 M125 E126 P147 I148 Q149N38-R151 PolarHBondContact ND2-O 3.37Å; M125-R151 HydrophobicContact CE-CB 4.35Å; E126-R151 IonicContact OE1-CZ 3.08Å; E126-R151 IonicContact OE1-NE 2.96Å; E126-R151 PolarHBondContact OE1-NE 3.32Å; E126-R151 IonicContact OE1-NH2 2.65Å; E126-R151 PolarHBondContact OE1-NH2 3.03Å; P147-R151 VanDerWaalsContact O-CD 3.3Å; P147-R151 WeakPolarHBondContact O-CD 3.26Å; P147-R151 PolarHBondContact O-NH1 3.18Å; I148-R151 PolarHBondContact O-N 3.25Å; Q149-R151 PolarHBondContact O-N 3.04Å; Q149-R151 VanDerWaalsContact O-N 3.08Å
152C95.3Very high94.7Very high14 Ų1457.9 Ų57.910%0.09531%0.311CS..SBendtrans-124.5142-175-680000111N38 I40 M125 I148 Q149 V154N38-C152 HydrophobicContact CB-CB 4.41Å; N38-C152 VanDerWaalsContact CB-SG 3.54Å; N38-C152 CarbonylContact O-C 3.5Å; N38-C152 VanDerWaalsContact O-CA 3.25Å; N38-C152 WeakPolarHBondContact O-CA 3.47Å; I40-C152 HydrophobicContact CB-CB 4.35Å; I40-C152 HydrophobicContact CD1-CB 3.5Å; I40-C152 VanDerWaalsContact CD1-CB 3.5Å; I40-C152 HydrophobicContact CG1-CB 3.58Å; M125-C152 VanDerWaalsContact CE-SG 3.59Å; I148-C152 PolarHBondContact O-N 3.03Å; I148-C152 PolarHBondContact O-SG 3.16Å; I148-C152 VanDerWaalsContact O-SG 3.41Å; Q149-C152 PolarHBondContact O-N 2.63Å; Q149-C152 VanDerWaalsContact O-O 3.06Å; C152-V154 PolarHBondContact O-N 2.99Å
153A93.7Very high95Very high35 Ų3557.5 Ų57.529%0.28931%0.313SS..EExtended strand (participates in β ladder)trans-72.2117162.200000108.6P37 N38 I39 I40P37-A153 HydrophobicContact CG-CB 4.24Å; N38-A153 PolarHBondContact O-N 3.36Å; I39-A153 WeakPolarHBondContact CA-O 3.19Å; I39-A153 HydrophobicContact CG2-CB 4.42Å; I40-A153 PolarHBondContact N-O 3.49Å
154V93.5Very high95.2Very high46 Ų4653.7 Ų53.728%0.27930%0.297SS..EExtended strand (participates in β ladder)trans-87.5119179.4-174.90000109.6I40 C152 R156I40-V154 HydrophobicContact CB-CG2 4.36Å; I40-V154 HydrophobicContact CD1-CG2 4.28Å; C152-V154 PolarHBondContact O-N 2.99Å; V154-R156 HydrophobicContact CG1-CG 4.42Å
155L94.7Very high95.3Very high4 Ų453.4 Ų53.42%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-110120177.5-61.4-179.2000108.4T23 L27 I40 I41 A42T23-L155 HydrophobicContact CG2-CB 3.68Å; T23-L155 HydrophobicContact CG2-CD1 3.96Å; T23-L155 HydrophobicContact CG2-CD2 4.27Å; T23-L155 HydrophobicContact CG2-CG 4.18Å; L27-L155 HydrophobicContact CD2-CD1 3.5Å; L27-L155 VanDerWaalsContact CD2-CD1 3.5Å; L27-L155 HydrophobicContact CG-CD1 4.08Å; I40-L155 PolarHBondContact O-N 3.2Å; I41-L155 WeakPolarHBondContact CA-O 3.46Å; I41-L155 HydrophobicContact CG1-CB 4.36Å; I41-L155 HydrophobicContact CG1-CD1 4.47Å; A42-L155 PolarHBondContact N-O 3.38Å
156R94.1Very high95.4Very high162 Ų16254.5 Ų54.561%0.61130%0.3SS*.EExtended strand (participates in β ladder)trans-98126.9-177.5-62.7-171.7-174.8-75-1.2110.1T23 A42 S141 V154T23-R156 PolarHBondContact OG1-O 3.34Å; A42-R156 CarbonylContact O-C 3.57Å; A42-R156 WeakPolarHBondContact O-CA 3.37Å; S141-R156 PolarHBondContact OG-NH1 3.29Å; V154-R156 HydrophobicContact CG1-CG 4.42Å
157Y95.3Very high95.5Very high9 Ų951.3 Ų51.34%0.03530%0.295CS..  trans-99.7139.7171.7-84.3-123.6000109.2N20 T23 I24 I41 A42 G43 P44 C47 K49 S52N20-Y157 HydrophobicContact CB-CD1 3.93Å; N20-Y157 HydrophobicContact CB-CE1 3.95Å; N20-Y157 HydrophobicContact CB-CG 4.35Å; N20-Y157 WeakPolarHBondContact ND2-CD1 3.47Å; N20-Y157 WeakPolarHBondContact OD1-CA 3.42Å; T23-Y157 HydrophobicContact CG2-CD2 3.98Å; T23-Y157 HydrophobicContact CG2-CE2 3.27Å; I24-Y157 VanDerWaalsContact CD1-OH 3.24Å; I24-Y157 WeakPolarHBondContact CD1-OH 3.45Å; I41-Y157 HydrophobicContact CD1-CE2 4.1Å; I41-Y157 HydrophobicContact CG2-CD2 3.22Å; I41-Y157 HydrophobicContact CG2-CE2 3.27Å; I41-Y157 HydrophobicContact CG2-CG 4Å; A42-Y157 PolarHBondContact O-N 2.85Å; G43-Y157 WeakPolarHBondContact CA-O 3.42Å; P44-Y157 VanDerWaalsContact CD-O 3.24Å; P44-Y157 WeakPolarHBondContact CD-O 3.33Å; C47-Y157 HydrophobicContact CB-CD1 4.34Å; C47-Y157 VanDerWaalsContact O-CD1 3.26Å; C47-Y157 WeakPolarHBondContact O-CD1 3.43Å; K49-Y157 HydrophobicContact CG-CD1 4.37Å; K49-Y157 HydrophobicContact CG-CG 4.22Å; S52-Y157 WeakPolarHBondContact CB-OH 3.45Å; S52-Y157 PolarHBondContact OG-OH 3.37Å
158A94.8Very high95.6Very high57 Ų5751.1 Ų51.147%0.47129%0.29SS..  trans-107.1163.1170.500000110.2N20 C47N20-A158 PolarHBondContact ND2-O 3.23Å; N20-A158 PolarHBondContact OD1-N 2.86Å; C47-A158 PolarHBondContact SG-O 3.49Å
159R95.2Very high95.6Very high109 Ų10951.1 Ų51.141%0.41129%0.29SS..PPolyproline II helixtrans-54.4144.3166.1-72.3-178.8174.6-77.8-0.2109.7P44 D193P44-R159 HydrophobicContact CB-CG 3.98Å; P44-R159 HydrophobicContact CG-CG 3.94Å; R159-D193 VanDerWaalsContact CD-O 3.27Å; R159-D193 WeakPolarHBondContact CD-O 3.38Å; R159-D193 PolarHBondContact NH1-O 3.37Å
160L96.6Very high95.7Very high12 Ų1252.6 Ų52.66%0.06330%0.299CS..PPolyproline II helixtrans-70.8150.9176.7-58.2179.5000110.5V18 Q164 V165 G194 M196V18-L160 HydrophobicContact CG1-CD1 4.32Å; V18-L160 WeakPolarHBondContact O-CD2 3.43Å; L160-Q164 HydrophobicContact CB-CB 4.45Å; L160-V165 HydrophobicContact CB-CG2 3.81Å; L160-V165 HydrophobicContact CD1-CG2 4.38Å; L160-G194 WeakPolarHBondContact CB-O 3.45Å; L160-G194 PolarHBondContact N-O 3.07Å; L160-G194 WeakPolarHBondContact O-CA 3.31Å; L160-M196 HydrophobicContact CD1-CB 3.89Å; L160-M196 HydrophobicContact CD1-CE 3.61Å
161T95.8Very high95.9Very high75 Ų7552.2 Ų52.246%0.4629%0.287SS..PPolyproline II helixtrans-72.1153.4173.464.30000110.6A163 Q164 V165T161-A163 PolarHBondContact O-N 2.96Å; T161-Q164 WeakPolarHBondContact O-CB 3.06Å; T161-Q164 PolarHBondContact O-N 2.7Å; T161-Q164 VanDerWaalsContact O-N 3.07Å; T161-Q164 WeakPolarHBondContact OG1-CB 3.38Å; T161-Q164 VanDerWaalsContact OG1-CD 3.22Å; T161-Q164 VanDerWaalsContact OG1-CG 3.26Å; T161-Q164 WeakPolarHBondContact OG1-CG 3.08Å; T161-Q164 PolarHBondContact OG1-N 2.93Å; T161-Q164 PolarHBondContact OG1-OE1 3.36Å; T161-V165 PolarHBondContact O-N 2.51Å
162S94.6Very high96Very high84 Ų8448 Ų4859%0.58727%0.271SS*.Hα-helixtrans-54.3-38.7175.8-57.20000112.4V165 M166S162-V165 PolarHBondContact O-N 2.63Å; S162-M166 VanDerWaalsContact O-CB 3.26Å; S162-M166 WeakPolarHBondContact O-CB 3.22Å; S162-M166 PolarHBondContact O-N 3.08Å
163A96.9Very high96.1Very high74 Ų7447.5 Ų47.561%0.61227%0.267SS*.Hα-helixtrans-64.5-42.5177.200000112.5T161 M166 A167T161-A163 PolarHBondContact O-N 2.96Å; A163-M166 PolarHBondContact O-N 3.18Å; A163-A167 WeakPolarHBondContact O-CB 3.37Å; A163-A167 PolarHBondContact O-N 3.43Å
164Q97Very high96.3Very high43 Ų4355.8 Ų55.820%0.20129%0.291CS..Hα-helixtrans-64.5-42176.8-79.5163.9-25.200112.1V18 G19 E21 L160 T161 R168V18-Q164 HydrophobicContact CG1-CB 3.7Å; V18-Q164 HydrophobicContact CG1-CG 4.16Å; G19-Q164 VanDerWaalsContact CA-NE2 3.32Å; E21-Q164 PolarHBondContact OE1-NE2 3.08Å; L160-Q164 HydrophobicContact CB-CB 4.45Å; T161-Q164 WeakPolarHBondContact O-CB 3.06Å; T161-Q164 PolarHBondContact O-N 2.7Å; T161-Q164 VanDerWaalsContact O-N 3.07Å; T161-Q164 WeakPolarHBondContact OG1-CB 3.38Å; T161-Q164 VanDerWaalsContact OG1-CD 3.22Å; T161-Q164 VanDerWaalsContact OG1-CG 3.26Å; T161-Q164 WeakPolarHBondContact OG1-CG 3.08Å; T161-Q164 PolarHBondContact OG1-N 2.93Å; T161-Q164 PolarHBondContact OG1-OE1 3.36Å; Q164-R168 PolarHBondContact O-N 3.07Å
165V97.9Very high96.4Very high0 Ų059.6 Ų59.60%030%0.304CS..Hα-helixtrans-65.8-48.1175.6-178.20000110.6L160 T161 S162 A167 R168 L169 V189 M196 A199L160-V165 HydrophobicContact CB-CG2 3.81Å; L160-V165 HydrophobicContact CD1-CG2 4.38Å; T161-V165 PolarHBondContact O-N 2.51Å; S162-V165 PolarHBondContact O-N 2.63Å; V165-A167 PolarHBondContact O-N 2.73Å; V165-R168 PolarHBondContact O-N 3.22Å; V165-L169 HydrophobicContact CG1-CD1 3.98Å; V165-L169 HydrophobicContact CG1-CG 4.26Å; V165-L169 WeakPolarHBondContact O-CG 3.23Å; V165-L169 PolarHBondContact O-N 2.85Å; V165-V189 HydrophobicContact CB-CG2 4.39Å; V165-V189 HydrophobicContact CG1-CG2 4.1Å; V165-M196 HydrophobicContact CG2-CE 4.33Å; V165-A199 HydrophobicContact CG1-CB 3.59Å
166M98Very high96.4Very high44 Ų4461.4 Ų61.422%0.21731%0.312CS..Hα-helixtrans-56.7-46.7178.7-178.360.783.800112.1S162 A163 R168 L169 L170 L185 E186 V189S162-M166 VanDerWaalsContact O-CB 3.26Å; S162-M166 WeakPolarHBondContact O-CB 3.22Å; S162-M166 PolarHBondContact O-N 3.08Å; A163-M166 PolarHBondContact O-N 3.18Å; M166-R168 VanDerWaalsContact C-N 3.28Å; M166-R168 PolarHBondContact O-N 2.88Å; M166-L169 PolarHBondContact O-N 3.23Å; M166-L169 VanDerWaalsContact O-N 3.16Å; M166-L170 HydrophobicContact CG-CD1 4.1Å; M166-L170 HydrophobicContact CG-CG 4.47Å; M166-L170 WeakPolarHBondContact O-CG 3.33Å; M166-L170 PolarHBondContact O-N 2.86Å; M166-L170 HydrophobicContact SD-CD1 4.44Å; M166-L170 HydrophobicContact SD-CG 4.28Å; M166-L185 HydrophobicContact CE-CB 3.84Å; M166-L185 HydrophobicContact SD-CB 3.77Å; M166-L185 HydrophobicContact SD-CD1 4.07Å; M166-E186 HydrophobicContact CE-CG 3.94Å; M166-V189 HydrophobicContact CB-CG2 4.12Å; M166-V189 HydrophobicContact CE-CG2 3.98Å; M166-V189 HydrophobicContact SD-CG2 4.4Å
167A97.3Very high96.4Very high58 Ų5856.3 Ų56.348%0.47931%0.31SS..Hα-helixtrans-56.8-43.2178.900000111.8A163 V165 L170 E171A163-A167 WeakPolarHBondContact O-CB 3.37Å; A163-A167 PolarHBondContact O-N 3.43Å; V165-A167 PolarHBondContact O-N 2.73Å; A167-L170 PolarHBondContact O-N 3.09Å; A167-E171 PolarHBondContact O-N 2.59Å; A167-E171 VanDerWaalsContact O-N 3.16Å
168R96.4Very high96.4Very high34 Ų3456.3 Ų56.313%0.12831%0.311CS..Hα-helixtrans-70-38.1177.5-171.555.3171.2176.6-3112.5Y9 Q164 V165 M166 L170 E171 V172 M196Y9-R168 PolarHBondContact O-NH2 3.22Å; Q164-R168 PolarHBondContact O-N 3.07Å; V165-R168 PolarHBondContact O-N 3.22Å; M166-R168 VanDerWaalsContact C-N 3.28Å; M166-R168 PolarHBondContact O-N 2.88Å; R168-L170 VanDerWaalsContact C-N 3.34Å; R168-E171 WeakPolarHBondContact CD-OE2 3.27Å; R168-E171 IonicContact CZ-OE2 3.39Å; R168-E171 IonicContact NH1-OE1 3.67Å; R168-E171 PolarHBondContact NH1-OE1 3.38Å; R168-E171 IonicContact NH1-OE2 3.17Å; R168-E171 PolarHBondContact NH1-OE2 3.05Å; R168-E171 PolarHBondContact O-N 2.94Å; R168-V172 WeakPolarHBondContact O-CG2 3.31Å; R168-V172 PolarHBondContact O-N 3.43Å; R168-M196 HydrophobicContact CB-CE 3.61Å; R168-M196 HydrophobicContact CB-SD 3.84Å; R168-M196 HydrophobicContact CG-CE 3.88Å; R168-M196 HydrophobicContact CG-SD 3.63Å
169L98Very high96.6Very high0 Ų056.4 Ų56.40%031%0.309CS..Hα-helixtrans-62.6-41.3175.8-70.5173.8000111.7V165 M166 S173 L185 I188 V189 A199 L200 L203V165-L169 HydrophobicContact CG1-CD1 3.98Å; V165-L169 HydrophobicContact CG1-CG 4.26Å; V165-L169 WeakPolarHBondContact O-CG 3.23Å; V165-L169 PolarHBondContact O-N 2.85Å; M166-L169 PolarHBondContact O-N 3.23Å; M166-L169 VanDerWaalsContact O-N 3.16Å; L169-S173 WeakPolarHBondContact O-CB 3.47Å; L169-S173 PolarHBondContact O-N 2.84Å; L169-S173 PolarHBondContact O-OG 2.88Å; L169-L185 HydrophobicContact CB-CD2 4.47Å; L169-I188 HydrophobicContact CD1-CB 4.11Å; L169-I188 HydrophobicContact CD1-CG2 3.66Å; L169-I188 HydrophobicContact CD2-CG2 4.08Å; L169-V189 HydrophobicContact CD1-CG2 3.65Å; L169-A199 HydrophobicContact CD2-CB 4.13Å; L169-L200 HydrophobicContact CD2-CD2 4.36Å; L169-L203 HydrophobicContact CD2-CB 4Å; L169-L203 HydrophobicContact CD2-CD1 4.43Å; L169-L203 HydrophobicContact CD2-CD2 3.88Å; L169-L203 HydrophobicContact CD2-CG 4.31Å
170L98Very high96.7Very high69 Ų6955.7 Ų55.736%0.36131%0.307SS..Hα-helixtrans-64-42.3176.7-73169.2000111.7M166 A167 R168 S173 R174 Y180 L185M166-L170 HydrophobicContact CG-CD1 4.1Å; M166-L170 HydrophobicContact CG-CG 4.47Å; M166-L170 WeakPolarHBondContact O-CG 3.33Å; M166-L170 PolarHBondContact O-N 2.86Å; M166-L170 HydrophobicContact SD-CD1 4.44Å; M166-L170 HydrophobicContact SD-CG 4.28Å; A167-L170 PolarHBondContact O-N 3.09Å; R168-L170 VanDerWaalsContact C-N 3.34Å; L170-S173 PolarHBondContact O-N 3.5Å; L170-R174 WeakPolarHBondContact O-CB 3.38Å; L170-R174 PolarHBondContact O-N 3.47Å; L170-Y180 HydrophobicContact CD2-CE2 4.15Å; L170-Y180 WeakPolarHBondContact CD2-OH 3.03Å; L170-L185 HydrophobicContact CD2-CD1 3.53Å; L170-L185 HydrophobicContact CG-CD1 4.24Å
171E96.8Very high96.7Very high80 Ų8057.4 Ų57.437%0.37432%0.318SS..Hα-helixtrans-61.8-51176.9-173.8-171.817600111.7A167 R168 S173 R174 F175A167-E171 PolarHBondContact O-N 2.59Å; A167-E171 VanDerWaalsContact O-N 3.16Å; R168-E171 WeakPolarHBondContact CD-OE2 3.27Å; R168-E171 IonicContact CZ-OE2 3.39Å; R168-E171 IonicContact NH1-OE1 3.67Å; R168-E171 PolarHBondContact NH1-OE1 3.38Å; R168-E171 IonicContact NH1-OE2 3.17Å; R168-E171 PolarHBondContact NH1-OE2 3.05Å; R168-E171 PolarHBondContact O-N 2.94Å; E171-S173 PolarHBondContact O-N 3.4Å; E171-R174 WeakPolarHBondContact O-CB 3.38Å; E171-R174 PolarHBondContact O-N 3.46Å; E171-F175 HydrophobicContact CG-CD2 3.96Å; E171-F175 HydrophobicContact CG-CE2 3.43Å; E171-F175 VanDerWaalsContact CG-CE2 3.43Å; E171-F175 HydrophobicContact CG-CZ 4.16Å; E171-F175 VanDerWaalsContact O-CD2 3.31Å; E171-F175 WeakPolarHBondContact O-CD2 3.26Å; E171-F175 PolarHBondContact O-N 2.95Å; E171-F175 WeakPolarHBondContact OE1-CE2 3.49Å
172V96.7Very high96.7Very high0 Ų060.7 Ų60.70%033%0.328CS..Hα-helixtrans-64.3-41.4178172.90000111.1W5 Y9 R168 R174 F175 E176 L200 L203W5-V172 HydrophobicContact CD2-CG1 4.34Å; W5-V172 HydrophobicContact CE3-CG1 3.85Å; W5-V172 HydrophobicContact CZ3-CG1 4.28Å; Y9-V172 HydrophobicContact CD1-CG2 3.92Å; Y9-V172 HydrophobicContact CD2-CG1 3.89Å; Y9-V172 HydrophobicContact CD2-CG2 3.91Å; Y9-V172 HydrophobicContact CE1-CG2 4.18Å; Y9-V172 HydrophobicContact CE2-CB 4.43Å; Y9-V172 HydrophobicContact CE2-CG1 3.61Å; Y9-V172 HydrophobicContact CE2-CG2 4.18Å; Y9-V172 HydrophobicContact CG-CG2 3.78Å; R168-V172 WeakPolarHBondContact O-CG2 3.31Å; R168-V172 PolarHBondContact O-N 3.43Å; V172-R174 PolarHBondContact O-N 3.02Å; V172-F175 PolarHBondContact O-N 3.43Å; V172-F175 VanDerWaalsContact O-N 3.13Å; V172-E176 HydrophobicContact CG1-CG 4.1Å; V172-E176 WeakPolarHBondContact O-CG 3.38Å; V172-E176 PolarHBondContact O-N 3.02Å; V172-L200 HydrophobicContact CB-CD2 4.27Å; V172-L200 HydrophobicContact CG1-CD2 4.29Å; V172-L200 HydrophobicContact CG2-CD2 3.85Å; V172-L203 HydrophobicContact CB-CD2 4.36Å; V172-L203 HydrophobicContact CG1-CD2 4Å
173S96.9Very high96.8Very high2 Ų261.9 Ų61.91%0.01432%0.324CS..Hα-helixtrans-58.6-38.6176.2-62.60000111.9L169 L170 E171 G177 V178L169-S173 WeakPolarHBondContact O-CB 3.47Å; L169-S173 PolarHBondContact O-N 2.84Å; L169-S173 PolarHBondContact O-OG 2.88Å; L170-S173 PolarHBondContact O-N 3.5Å; E171-S173 PolarHBondContact O-N 3.4Å; S173-G177 CarbonylContact O-C 3.54Å; S173-G177 WeakPolarHBondContact O-CA 3.46Å; S173-G177 PolarHBondContact O-N 2.98Å; S173-V178 PolarHBondContact O-N 3.4Å
174R97Very high96.7Very high210 Ų21058.3 Ų58.379%0.79230%0.295SS*.Hα-helixtrans-67.5-43.1175.6-179.5-176.8174.6-174.5-1.1112.1L170 E171 V172L170-R174 WeakPolarHBondContact O-CB 3.38Å; L170-R174 PolarHBondContact O-N 3.47Å; E171-R174 WeakPolarHBondContact O-CB 3.38Å; E171-R174 PolarHBondContact O-N 3.46Å; V172-R174 PolarHBondContact O-N 3.02Å
175F96Very high96.8Very high126 Ų12656.4 Ų56.455%0.55329%0.286SS*.Hα-helixtrans-70.1-36.2-178.4-70.1-43.1000113.2Y9 E171 V172Y9-F175 HydrophobicContact CE1-CB 4.31Å; Y9-F175 AromaticContact CE1-CD2 3.81Å; Y9-F175 HydrophobicContact CE1-CD2 3.81Å; Y9-F175 HydrophobicContact CE1-CG 4.47Å; Y9-F175 WeakPolarHBondContact OH-CB 3.43Å; E171-F175 HydrophobicContact CG-CD2 3.96Å; E171-F175 HydrophobicContact CG-CE2 3.43Å; E171-F175 VanDerWaalsContact CG-CE2 3.43Å; E171-F175 HydrophobicContact CG-CZ 4.16Å; E171-F175 VanDerWaalsContact O-CD2 3.31Å; E171-F175 WeakPolarHBondContact O-CD2 3.26Å; E171-F175 PolarHBondContact O-N 2.95Å; E171-F175 WeakPolarHBondContact OE1-CE2 3.49Å; V172-F175 PolarHBondContact O-N 3.43Å; V172-F175 VanDerWaalsContact O-N 3.13Å
176E95.3Very high96.7Very high41 Ų4162.1 Ų62.119%0.19231%0.312CS..Hα-helixtrans-90.5-6.4179.6-59.7-63.9161.700113.1W5 K8 Y9 V172 V178W5-E176 HydrophobicContact CD2-CG 4.1Å; W5-E176 HydrophobicContact CE3-CG 4.47Å; W5-E176 HydrophobicContact CH2-CB 3.86Å; W5-E176 HydrophobicContact CH2-CG 3.97Å; W5-E176 HydrophobicContact CZ2-CB 3.63Å; W5-E176 HydrophobicContact CZ2-CG 3.51Å; W5-E176 HydrophobicContact CZ3-CG 4.4Å; K8-E176 WeakPolarHBondContact CD-OE1 2.99Å; K8-E176 WeakPolarHBondContact CE-OE1 3.49Å; K8-E176 VanDerWaalsContact NZ-CD 3.27Å; K8-E176 IonicContact NZ-OE1 3.73Å; K8-E176 PolarHBondContact NZ-OE1 2.93Å; K8-E176 IonicContact NZ-OE2 3.85Å; K8-E176 PolarHBondContact NZ-OE2 2.86Å; K8-E176 VanDerWaalsContact NZ-OE2 3.08Å; Y9-E176 HydrophobicContact CE2-CG 3.98Å; Y9-E176 WeakPolarHBondContact CE2-OE1 3.17Å; Y9-E176 VanDerWaalsContact OH-CD 3.25Å; Y9-E176 WeakPolarHBondContact OH-CG 3.49Å; Y9-E176 PolarHBondContact OH-OE1 3.39Å; V172-E176 HydrophobicContact CG1-CG 4.1Å; V172-E176 WeakPolarHBondContact O-CG 3.38Å; V172-E176 PolarHBondContact O-N 3.02Å; E176-V178 VanDerWaalsContact C-N 3.34Å; E176-V178 HydrophobicContact CB-CG2 3.87Å
177G94.6Very high96.5Very high55 Ų5560.2 Ų60.257%0.56730%0.304SS*.THydrogen-bonded Turntrans67.633.3-177.600000113.4S173 S179S173-G177 CarbonylContact O-C 3.54Å; S173-G177 WeakPolarHBondContact O-CA 3.46Å; S173-G177 PolarHBondContact O-N 2.98Å; G177-S179 PolarHBondContact O-N 2.67Å
178V95.6Very high96.5Very high9 Ų957.5 Ų57.56%0.05528%0.281CS..  trans-68.3126.9-178.8-1790000109.9W5 S173 E176 Y180 L203 H207 V213W5-V178 HydrophobicContact CH2-CG2 3.46Å; W5-V178 VanDerWaalsContact CH2-CG2 3.46Å; W5-V178 HydrophobicContact CZ2-CG2 4.46Å; W5-V178 HydrophobicContact CZ3-CG2 3.92Å; S173-V178 PolarHBondContact O-N 3.4Å; E176-V178 VanDerWaalsContact C-N 3.34Å; E176-V178 HydrophobicContact CB-CG2 3.87Å; V178-Y180 WeakPolarHBondContact O-CD1 3.35Å; V178-L203 HydrophobicContact CG1-CD1 4.37Å; V178-H207 HydrophobicContact CG1-CB 4.1Å; V178-H207 HydrophobicContact CG2-CB 4.41Å; V178-V213 HydrophobicContact CG1-CB 4.42Å; V178-V213 HydrophobicContact CG1-CG2 3.49Å; V178-V213 VanDerWaalsContact CG1-CG2 3.49Å
179S97.1Very high96.5Very high60 Ų6056.5 Ų56.542%0.4228%0.279SS..EExtended strand (participates in β ladder)trans-80.8125.2167.7-62.40000109.3G177 M212 V213G177-S179 PolarHBondContact O-N 2.67Å; S179-M212 WeakPolarHBondContact O-CA 3.38Å; S179-V213 PolarHBondContact O-N 2.88Å
180Y97.6Very high96.2Very high94 Ų9458.8 Ų58.837%0.36929%0.289SS..EExtended strand (participates in β ladder)trans-141.8158.4-178.561.8-98000112.2L170 V178 L185 V213L170-Y180 HydrophobicContact CD2-CE2 4.15Å; L170-Y180 WeakPolarHBondContact CD2-OH 3.03Å; V178-Y180 WeakPolarHBondContact O-CD1 3.35Å; Y180-L185 HydrophobicContact CD1-CD1 4.25Å; Y180-L185 HydrophobicContact CD2-CD1 3.37Å; Y180-L185 HydrophobicContact CD2-CD2 4.4Å; Y180-L185 HydrophobicContact CD2-CG 3.65Å; Y180-L185 HydrophobicContact CE1-CD1 4.31Å; Y180-L185 HydrophobicContact CE2-CD1 3.44Å; Y180-L185 VanDerWaalsContact CE2-CD1 3.44Å; Y180-L185 HydrophobicContact CE2-CG 4.24Å; Y180-L185 HydrophobicContact CG-CD1 3.82Å; Y180-L185 HydrophobicContact CG-CD2 4.11Å; Y180-L185 HydrophobicContact CG-CG 3.86Å; Y180-V213 CarbonylContact C-O 3.51Å; Y180-V213 VanDerWaalsContact CA-O 3.31Å; Y180-V213 WeakPolarHBondContact CA-O 3.46Å
181T97.6Very high95.9Very high47 Ų4755.5 Ų55.529%0.28827%0.272SS..  trans-101.6158.5160.878.60000109.6E183 G184 L185 V213T181-E183 VanDerWaalsContact C-N 3.28Å; T181-E183 VanDerWaalsContact CB-OE2 3.25Å; T181-E183 WeakPolarHBondContact CB-OE2 3.42Å; T181-E183 PolarHBondContact O-N 3.14Å; T181-E183 PolarHBondContact OG1-OE2 3Å; T181-G184 PolarHBondContact O-N 3.3Å; T181-G184 VanDerWaalsContact O-N 3.11Å; T181-G184 PolarHBondContact OG1-N 3.49Å; T181-G184 VanDerWaalsContact OG1-N 3.15Å; T181-L185 PolarHBondContact O-N 2.92Å; T181-V213 PolarHBondContact N-O 2.85Å
182E96.2Very high95.7Very high145 Ų14551.7 Ų51.768%0.67825%0.254SS*.Hα-helixtrans-59.6-42.6178.2-65.9-174.1166.700110.8G184 L185 E186E182-G184 VanDerWaalsContact C-N 3.25Å; E182-G184 PolarHBondContact O-N 2.84Å; E182-L185 PolarHBondContact O-N 3.16Å; E182-E186 WeakPolarHBondContact O-CG 3.18Å; E182-E186 PolarHBondContact O-N 2.87Å
183E95Very high95.4Very high108 Ų10854.8 Ų54.851%0.50527%0.271SS..Hα-helixtrans-65-29.7177.4-50.981.7178.600112.3T181 A187T181-E183 VanDerWaalsContact C-N 3.28Å; T181-E183 VanDerWaalsContact CB-OE2 3.25Å; T181-E183 WeakPolarHBondContact CB-OE2 3.42Å; T181-E183 PolarHBondContact O-N 3.14Å; T181-E183 PolarHBondContact OG1-OE2 3Å; E183-A187 VanDerWaalsContact O-CB 3.29Å; E183-A187 WeakPolarHBondContact O-CB 3.05Å; E183-A187 PolarHBondContact O-N 2.76Å
184G96.3Very high95.3Very high0 Ų055 Ų550%027%0.273CS..Hα-helixtrans-67.8-45.4174.700000112.3T181 E182 A187 I188T181-G184 PolarHBondContact O-N 3.3Å; T181-G184 VanDerWaalsContact O-N 3.11Å; T181-G184 PolarHBondContact OG1-N 3.49Å; T181-G184 VanDerWaalsContact OG1-N 3.15Å; E182-G184 VanDerWaalsContact C-N 3.25Å; E182-G184 PolarHBondContact O-N 2.84Å; G184-A187 WeakPolarHBondContact O-CB 3.48Å; G184-A187 PolarHBondContact O-N 3.16Å; G184-I188 PolarHBondContact O-N 3.39Å; G184-I188 VanDerWaalsContact O-N 3.1Å
185L97.9Very high95.3Very high3 Ų345.7 Ų45.72%0.01624%0.239CC..Hα-helixtrans-67-40175.1-65.4-174.2000111.7M166 L169 L170 Y180 T181 E182 A187 I188 V189 L203 V213M166-L185 HydrophobicContact CE-CB 3.84Å; M166-L185 HydrophobicContact SD-CB 3.77Å; M166-L185 HydrophobicContact SD-CD1 4.07Å; L169-L185 HydrophobicContact CB-CD2 4.47Å; L170-L185 HydrophobicContact CD2-CD1 3.53Å; L170-L185 HydrophobicContact CG-CD1 4.24Å; Y180-L185 HydrophobicContact CD1-CD1 4.25Å; Y180-L185 HydrophobicContact CD2-CD1 3.37Å; Y180-L185 HydrophobicContact CD2-CD2 4.4Å; Y180-L185 HydrophobicContact CD2-CG 3.65Å; Y180-L185 HydrophobicContact CE1-CD1 4.31Å; Y180-L185 HydrophobicContact CE2-CD1 3.44Å; Y180-L185 VanDerWaalsContact CE2-CD1 3.44Å; Y180-L185 HydrophobicContact CE2-CG 4.24Å; Y180-L185 HydrophobicContact CG-CD1 3.82Å; Y180-L185 HydrophobicContact CG-CD2 4.11Å; Y180-L185 HydrophobicContact CG-CG 3.86Å; T181-L185 PolarHBondContact O-N 2.92Å; E182-L185 PolarHBondContact O-N 3.16Å; L185-A187 VanDerWaalsContact C-N 3.29Å; L185-A187 PolarHBondContact O-N 3.13Å; L185-I188 PolarHBondContact O-N 2.79Å; L185-V189 WeakPolarHBondContact O-CG2 3.27Å; L185-V189 PolarHBondContact O-N 3.45Å; L185-L203 HydrophobicContact CD2-CD1 3.77Å; L185-V213 HydrophobicContact CD2-CG1 4.37Å
186E95.7Very high95.3Very high119 Ų11940.8 Ų40.856%0.55622%0.218SC*.Hα-helixtrans-60.4-39.8173.7-72.8-176.1171.300112M166 E182 I188 V189 F190M166-E186 HydrophobicContact CE-CG 3.94Å; E182-E186 WeakPolarHBondContact O-CG 3.18Å; E182-E186 PolarHBondContact O-N 2.87Å; E186-I188 PolarHBondContact O-N 2.98Å; E186-V189 PolarHBondContact O-N 3.45Å; E186-F190 WeakPolarHBondContact O-CB 3.25Å; E186-F190 PolarHBondContact O-N 3.42Å
187A94.2Very high95.3Very high5 Ų544.4 Ų44.44%0.04123%0.23CC..Hα-helixtrans-60.6-43.4174.200000111.4E183 G184 L185 F190 T191 V218 F219E183-A187 VanDerWaalsContact O-CB 3.29Å; E183-A187 WeakPolarHBondContact O-CB 3.05Å; E183-A187 PolarHBondContact O-N 2.76Å; G184-A187 WeakPolarHBondContact O-CB 3.48Å; G184-A187 PolarHBondContact O-N 3.16Å; L185-A187 VanDerWaalsContact C-N 3.29Å; L185-A187 PolarHBondContact O-N 3.13Å; A187-F190 PolarHBondContact O-N 2.88Å; A187-T191 WeakPolarHBondContact O-CG2 3.39Å; A187-T191 PolarHBondContact O-N 3.41Å; A187-T191 PolarHBondContact O-OG1 3.43Å; A187-V218 HydrophobicContact CB-CB 4Å; A187-V218 HydrophobicContact CB-CG1 3.85Å; A187-V218 HydrophobicContact CB-CG2 4.42Å; A187-F219 HydrophobicContact CB-CE1 4.41Å; A187-F219 HydrophobicContact CB-CE2 3.77Å; A187-F219 HydrophobicContact CB-CZ 3.68Å
188I97.1Very high95.4Very high0 Ų044.8 Ų44.80%022%0.217CC..Hα-helixtrans-63.1-44.5175.8-66.4172.1000110.9L169 G184 L185 E186 F190 T191 A192 A199 N202 L203 V213 V218L169-I188 HydrophobicContact CD1-CB 4.11Å; L169-I188 HydrophobicContact CD1-CG2 3.66Å; L169-I188 HydrophobicContact CD2-CG2 4.08Å; G184-I188 PolarHBondContact O-N 3.39Å; G184-I188 VanDerWaalsContact O-N 3.1Å; L185-I188 PolarHBondContact O-N 2.79Å; E186-I188 PolarHBondContact O-N 2.98Å; I188-F190 PolarHBondContact O-N 3.09Å; I188-T191 PolarHBondContact O-N 3.46Å; I188-T191 PolarHBondContact O-OG1 3.29Å; I188-A192 WeakPolarHBondContact O-CB 3.11Å; I188-A192 PolarHBondContact O-N 2.95Å; I188-A199 HydrophobicContact CG2-CB 4.1Å; I188-A199 WeakPolarHBondContact CG2-O 3.43Å; I188-N202 HydrophobicContact CG1-CB 4.44Å; I188-N202 HydrophobicContact CG2-CB 4.22Å; I188-L203 HydrophobicContact CD1-CB 3.89Å; I188-L203 HydrophobicContact CD1-CD1 3.47Å; I188-L203 VanDerWaalsContact CD1-CD1 3.47Å; I188-L203 HydrophobicContact CD1-CG 4.29Å; I188-V213 HydrophobicContact CD1-CG1 3.52Å; I188-V213 HydrophobicContact CG1-CG1 4.43Å; I188-V218 HydrophobicContact CD1-CG2 4.04Å; I188-V218 HydrophobicContact CG1-CB 4.35Å; I188-V218 HydrophobicContact CG1-CG1 3.7Å; I188-V218 HydrophobicContact CG1-CG2 3.62Å
189V96.1Very high95.5Very high14 Ų1444.3 Ų44.39%0.08521%0.214CC..Hα-helixtrans-61.2-38.4177.9172.40000111V165 M166 L169 L185 E186 D193V165-V189 HydrophobicContact CB-CG2 4.39Å; V165-V189 HydrophobicContact CG1-CG2 4.1Å; M166-V189 HydrophobicContact CB-CG2 4.12Å; M166-V189 HydrophobicContact CE-CG2 3.98Å; M166-V189 HydrophobicContact SD-CG2 4.4Å; L169-V189 HydrophobicContact CD1-CG2 3.65Å; L185-V189 WeakPolarHBondContact O-CG2 3.27Å; L185-V189 PolarHBondContact O-N 3.45Å; E186-V189 PolarHBondContact O-N 3.45Å; V189-D193 PolarHBondContact O-N 3.28Å
190F92.3Very high95.5Very high48 Ų4841.8 Ų41.821%0.21120%0.196CC..Hα-helixtrans-67.3-46.8176.9179.7-92.4000112.5E186 A187 I188 F219 P227 I265 R268 V269E186-F190 WeakPolarHBondContact O-CB 3.25Å; E186-F190 PolarHBondContact O-N 3.42Å; A187-F190 PolarHBondContact O-N 2.88Å; I188-F190 PolarHBondContact O-N 3.09Å; F190-F219 HydrophobicContact CD1-CE1 4.35Å; F190-P227 HydrophobicContact CD1-CG 3.93Å; F190-P227 HydrophobicContact CE1-CB 4.3Å; F190-P227 HydrophobicContact CE1-CG 3.52Å; F190-P227 HydrophobicContact CZ-CB 4.37Å; F190-P227 HydrophobicContact CZ-CG 4.08Å; F190-I265 HydrophobicContact CE1-CD1 4.27Å; F190-I265 HydrophobicContact CE1-CG2 4.27Å; F190-I265 HydrophobicContact CZ-CG2 4.34Å; F190-R268 HydrophobicContact CE2-CB 4.03Å; F190-R268 HydrophobicContact CZ-CB 3.78Å; F190-V269 HydrophobicContact CZ-CG2 4.12Å
191T91Very high95.4Very high0 Ų040.2 Ų40.20%019%0.194CC..Hα-helixtrans-69.9-37-179.357.80000112A187 I188 D193 Q198 N202 V218 F219 C222 E224A187-T191 WeakPolarHBondContact O-CG2 3.39Å; A187-T191 PolarHBondContact O-N 3.41Å; A187-T191 PolarHBondContact O-OG1 3.43Å; I188-T191 PolarHBondContact O-N 3.46Å; I188-T191 PolarHBondContact O-OG1 3.29Å; T191-D193 VanDerWaalsContact C-N 3.34Å; T191-D193 PolarHBondContact O-N 3.15Å; T191-Q198 PolarHBondContact O-OE1 3.18Å; T191-N202 PolarHBondContact OG1-ND2 3.18Å; T191-V218 HydrophobicContact CG2-CG1 4.49Å; T191-F219 HydrophobicContact CG2-CD1 4Å; T191-F219 HydrophobicContact CG2-CE1 3.66Å; T191-C222 HydrophobicContact CG2-CB 4.27Å; T191-E224 WeakPolarHBondContact CG2-OE2 3.11Å
192A93Very high95.3Very high0 Ų039 Ų390%019%0.186CC..Hα-helixtrans-68.9-28.1179.100000113.9I188 G194 D195 Q198 A199I188-A192 WeakPolarHBondContact O-CB 3.11Å; I188-A192 PolarHBondContact O-N 2.95Å; A192-G194 PolarHBondContact O-N 3.44Å; A192-G194 VanDerWaalsContact O-N 3.09Å; A192-D195 VanDerWaalsContact O-CB 3.25Å; A192-D195 WeakPolarHBondContact O-CB 3.33Å; A192-D195 PolarHBondContact O-N 3.43Å; A192-Q198 HydrophobicContact CB-CB 4.46Å; A192-Q198 PolarHBondContact O-OE1 2.91Å; A192-A199 HydrophobicContact CB-CB 3.6Å
193D91.9Very high95.3Very high64 Ų6432 Ų3234%0.34215%0.153SC..THydrogen-bonded Turntrans4845.3176.5-167.921.5000112.9R159 V189 T191 D195 R268R159-D193 VanDerWaalsContact CD-O 3.27Å; R159-D193 WeakPolarHBondContact CD-O 3.38Å; R159-D193 PolarHBondContact NH1-O 3.37Å; V189-D193 PolarHBondContact O-N 3.28Å; T191-D193 VanDerWaalsContact C-N 3.34Å; T191-D193 PolarHBondContact O-N 3.15Å; D193-D195 VanDerWaalsContact C-N 3.34Å; D193-D195 PolarHBondContact O-N 3.4Å; D193-R268 IonicContact OD2-CZ 3.22Å; D193-R268 IonicContact OD2-NE 3.05Å; D193-R268 PolarHBondContact OD2-NE 2.87Å; D193-R268 IonicContact OD2-NH2 3.81Å; D193-R268 PolarHBondContact OD2-NH2 3.36Å; D193-R268 VanDerWaalsContact OD2-NH2 3.16Å
194G94.3Very high95.4Very high6 Ų627.8 Ų27.86%0.06213%0.133CC..THydrogen-bonded Turntrans78.95.4-179.600000116.3L160 A192L160-G194 WeakPolarHBondContact CB-O 3.45Å; L160-G194 PolarHBondContact N-O 3.07Å; L160-G194 WeakPolarHBondContact O-CA 3.31Å; A192-G194 PolarHBondContact O-N 3.44Å; A192-G194 VanDerWaalsContact O-N 3.09Å
195D96.2Very high95.4Very high16 Ų1630.3 Ų30.39%0.08615%0.151CC..  trans-87.7107169.8-173.5-43.6000110.3G46 A192 D193 R197 Q198 A199G46-D195 VanDerWaalsContact CA-OD1 3.31Å; G46-D195 WeakPolarHBondContact CA-OD1 3.34Å; G46-D195 WeakPolarHBondContact CA-OD2 3.31Å; G46-D195 PolarHBondContact N-OD2 3.29Å; A192-D195 VanDerWaalsContact O-CB 3.25Å; A192-D195 WeakPolarHBondContact O-CB 3.33Å; A192-D195 PolarHBondContact O-N 3.43Å; D193-D195 VanDerWaalsContact C-N 3.34Å; D193-D195 PolarHBondContact O-N 3.4Å; D195-R197 VanDerWaalsContact C-N 3.29Å; D195-R197 PolarHBondContact O-N 3.35Å; D195-R197 WeakPolarHBondContact OD1-CA 3.42Å; D195-R197 VanDerWaalsContact OD1-CB 3.27Å; D195-R197 WeakPolarHBondContact OD1-CB 3.32Å; D195-R197 PolarHBondContact OD1-N 3.42Å; D195-Q198 HydrophobicContact CB-CB 3.91Å; D195-Q198 PolarHBondContact O-N 3.44Å; D195-Q198 PolarHBondContact OD1-N 2.83Å; D195-A199 WeakPolarHBondContact O-CB 3.43Å; D195-A199 PolarHBondContact O-N 2.96Å
196M96.9Very high95.3Very high23 Ų2330.2 Ų30.211%0.11315%0.15CC..Hα-helixtrans-66.3-31.8-178.4-172.761.670.200112.6V18 G46 L160 V165 R168 A199 L200V18-M196 HydrophobicContact CB-CE 4.24Å; V18-M196 HydrophobicContact CG1-CE 4.06Å; V18-M196 HydrophobicContact CG2-CE 4.43Å; G46-M196 PolarHBondContact O-N 3.07Å; L160-M196 HydrophobicContact CD1-CB 3.89Å; L160-M196 HydrophobicContact CD1-CE 3.61Å; V165-M196 HydrophobicContact CG2-CE 4.33Å; R168-M196 HydrophobicContact CB-CE 3.61Å; R168-M196 HydrophobicContact CB-SD 3.84Å; R168-M196 HydrophobicContact CG-CE 3.88Å; R168-M196 HydrophobicContact CG-SD 3.63Å; M196-A199 PolarHBondContact O-N 2.96Å; M196-L200 HydrophobicContact CG-CD1 4.23Å; M196-L200 HydrophobicContact CG-CG 4.4Å; M196-L200 WeakPolarHBondContact O-CG 3.41Å; M196-L200 PolarHBondContact O-N 3.21Å; M196-L200 HydrophobicContact SD-CG 4.29Å
197R95.7Very high95.3Very high116 Ų11626.8 Ų26.844%0.43813%0.134SC..Hα-helixtrans-66.6-46.8179.2-179.7-172.7-59.9154.1-2.9109.7V6 D195 N201V6-R197 HydrophobicContact CG1-CG 3.84Å; V6-R197 HydrophobicContact CG2-CG 3.9Å; V6-R197 WeakPolarHBondContact CG2-O 3.41Å; D195-R197 VanDerWaalsContact C-N 3.29Å; D195-R197 PolarHBondContact O-N 3.35Å; D195-R197 WeakPolarHBondContact OD1-CA 3.42Å; D195-R197 VanDerWaalsContact OD1-CB 3.27Å; D195-R197 WeakPolarHBondContact OD1-CB 3.32Å; D195-R197 PolarHBondContact OD1-N 3.42Å; R197-N201 WeakPolarHBondContact O-CB 3.44Å; R197-N201 PolarHBondContact O-N 2.86Å; R197-N201 PolarHBondContact O-ND2 2.99Å
198Q95.3Very high95.3Very high63 Ų6332.6 Ų32.629%0.29416%0.161SC..Hα-helixtrans-61.9-44.4175.4-169.4176.516.200110.9T191 A192 D195 L200 N201 N202T191-Q198 PolarHBondContact O-OE1 3.18Å; A192-Q198 HydrophobicContact CB-CB 4.46Å; A192-Q198 PolarHBondContact O-OE1 2.91Å; D195-Q198 HydrophobicContact CB-CB 3.91Å; D195-Q198 PolarHBondContact O-N 3.44Å; D195-Q198 PolarHBondContact OD1-N 2.83Å; Q198-L200 PolarHBondContact O-N 3.43Å; Q198-N201 PolarHBondContact O-N 3.41Å; Q198-N202 WeakPolarHBondContact O-CB 3.37Å; Q198-N202 PolarHBondContact O-N 3.28Å; Q198-N202 PolarHBondContact O-OD1 3.04Å
199A97.5Very high95.1Very high0 Ų035.2 Ų35.20%019%0.188CC..Hα-helixtrans-57-49.8178.100000112.6V165 L169 I188 A192 D195 M196 N202 L203V165-A199 HydrophobicContact CG1-CB 3.59Å; L169-A199 HydrophobicContact CD2-CB 4.13Å; I188-A199 HydrophobicContact CG2-CB 4.1Å; I188-A199 WeakPolarHBondContact CG2-O 3.43Å; A192-A199 HydrophobicContact CB-CB 3.6Å; D195-A199 WeakPolarHBondContact O-CB 3.43Å; D195-A199 PolarHBondContact O-N 2.96Å; M196-A199 PolarHBondContact O-N 2.96Å; A199-N202 PolarHBondContact O-N 3.49Å; A199-L203 WeakPolarHBondContact O-CB 3.4Å; A199-L203 PolarHBondContact O-N 3.24Å
200L97.3Very high95Very high7 Ų739.3 Ų39.34%0.03720%0.204CC..Hα-helixtrans-68.2-39.4-179.6-68.6178.4000112.5V6 L169 V172 M196 Q198 L203 Q204V6-L200 HydrophobicContact CG2-CB 3.88Å; L169-L200 HydrophobicContact CD2-CD2 4.36Å; V172-L200 HydrophobicContact CB-CD2 4.27Å; V172-L200 HydrophobicContact CG1-CD2 4.29Å; V172-L200 HydrophobicContact CG2-CD2 3.85Å; M196-L200 HydrophobicContact CG-CD1 4.23Å; M196-L200 HydrophobicContact CG-CG 4.4Å; M196-L200 WeakPolarHBondContact O-CG 3.41Å; M196-L200 PolarHBondContact O-N 3.21Å; M196-L200 HydrophobicContact SD-CG 4.29Å; Q198-L200 PolarHBondContact O-N 3.43Å; L200-L203 PolarHBondContact O-N 3.19Å; L200-Q204 WeakPolarHBondContact O-CB 3.48Å; L200-Q204 PolarHBondContact O-N 3.36Å
201N95.7Very high95Very high61 Ų6138.8 Ų38.833%0.32621%0.213SC..Hα-helixtrans-61.8-47174.4-79-17.3000111.1V6 R197 Q198 L203 Q204 S205V6-N201 WeakPolarHBondContact CG2-OD1 3.27Å; R197-N201 WeakPolarHBondContact O-CB 3.44Å; R197-N201 PolarHBondContact O-N 2.86Å; R197-N201 PolarHBondContact O-ND2 2.99Å; Q198-N201 PolarHBondContact O-N 3.41Å; N201-L203 VanDerWaalsContact C-N 3.33Å; N201-L203 PolarHBondContact O-N 3.26Å; N201-Q204 PolarHBondContact O-N 3.31Å; N201-S205 WeakPolarHBondContact O-CB 3.45Å; N201-S205 PolarHBondContact O-N 2.9Å; N201-S205 PolarHBondContact O-OG 2.86Å; N201-S205 VanDerWaalsContact O-OG 3.07Å
202N95.6Very high95.2Very high20 Ų2042.7 Ų42.711%0.10723%0.232CC..Hα-helixtrans-63.5-39.8179.6-69.6-5.2000111.5I188 T191 Q198 A199 T206 C222I188-N202 HydrophobicContact CG1-CB 4.44Å; I188-N202 HydrophobicContact CG2-CB 4.22Å; T191-N202 PolarHBondContact OG1-ND2 3.18Å; Q198-N202 WeakPolarHBondContact O-CB 3.37Å; Q198-N202 PolarHBondContact O-N 3.28Å; Q198-N202 PolarHBondContact O-OD1 3.04Å; A199-N202 PolarHBondContact O-N 3.49Å; N202-T206 VanDerWaalsContact O-CB 3.26Å; N202-T206 WeakPolarHBondContact O-CB 3.36Å; N202-T206 PolarHBondContact O-N 2.95Å; N202-T206 PolarHBondContact O-OG1 3.11Å; N202-C222 VanDerWaalsContact CG-SG 3.56Å; N202-C222 PolarHBondContact ND2-SG 3.31Å
203L97.6Very high95.4Very high0 Ų042.7 Ų42.70%023%0.232CC..Hα-helixtrans-60.5-51.6174.2-172.273.8000111.2W5 L169 V172 V178 L185 I188 A199 L200 N201 T206 H207 V213W5-L203 HydrophobicContact CE3-CD2 4.16Å; W5-L203 HydrophobicContact CE3-CG 4.45Å; W5-L203 HydrophobicContact CZ3-CB 4.35Å; W5-L203 HydrophobicContact CZ3-CD2 3.78Å; W5-L203 HydrophobicContact CZ3-CG 3.84Å; L169-L203 HydrophobicContact CD2-CB 4Å; L169-L203 HydrophobicContact CD2-CD1 4.43Å; L169-L203 HydrophobicContact CD2-CD2 3.88Å; L169-L203 HydrophobicContact CD2-CG 4.31Å; V172-L203 HydrophobicContact CB-CD2 4.36Å; V172-L203 HydrophobicContact CG1-CD2 4Å; V178-L203 HydrophobicContact CG1-CD1 4.37Å; L185-L203 HydrophobicContact CD2-CD1 3.77Å; I188-L203 HydrophobicContact CD1-CB 3.89Å; I188-L203 HydrophobicContact CD1-CD1 3.47Å; I188-L203 VanDerWaalsContact CD1-CD1 3.47Å; I188-L203 HydrophobicContact CD1-CG 4.29Å; A199-L203 WeakPolarHBondContact O-CB 3.4Å; A199-L203 PolarHBondContact O-N 3.24Å; L200-L203 PolarHBondContact O-N 3.19Å; N201-L203 VanDerWaalsContact C-N 3.33Å; N201-L203 PolarHBondContact O-N 3.26Å; L203-T206 PolarHBondContact O-N 3.1Å; L203-H207 WeakPolarHBondContact O-CB 3.25Å; L203-H207 PolarHBondContact O-N 3.29Å; L203-V213 HydrophobicContact CD1-CG1 4.21Å; L203-V213 HydrophobicContact CD1-CG2 4.08Å
204Q96.7Very high95.6Very high19 Ų1940.7 Ų40.79%0.08922%0.223CC..Hα-helixtrans-60.2-51.8179.7-173.6176.43.300111.2W5 L200 N201 T206 H207 E208W5-Q204 HydrophobicContact CB-CB 4.44Å; W5-Q204 HydrophobicContact CD2-CB 3.72Å; W5-Q204 HydrophobicContact CD2-CG 3.76Å; W5-Q204 HydrophobicContact CE3-CB 3.52Å; W5-Q204 HydrophobicContact CE3-CG 4.06Å; W5-Q204 HydrophobicContact CG-CB 4.15Å; W5-Q204 HydrophobicContact CG-CG 4.06Å; W5-Q204 HydrophobicContact CH2-CB 4.46Å; W5-Q204 HydrophobicContact CZ2-CG 4.3Å; W5-Q204 VanDerWaalsContact CZ3-CA 3.5Å; W5-Q204 HydrophobicContact CZ3-CB 3.93Å; W5-Q204 HydrophobicContact CZ3-CG 4.43Å; L200-Q204 WeakPolarHBondContact O-CB 3.48Å; L200-Q204 PolarHBondContact O-N 3.36Å; N201-Q204 PolarHBondContact O-N 3.31Å; Q204-T206 VanDerWaalsContact C-N 3.31Å; Q204-T206 PolarHBondContact O-N 3.13Å; Q204-H207 PolarHBondContact O-N 2.94Å; Q204-E208 HydrophobicContact CG-CG 4.28Å; Q204-E208 WeakPolarHBondContact CG-OE1 3.34Å; Q204-E208 PolarHBondContact NE2-OE1 3.23Å; Q204-E208 WeakPolarHBondContact O-CB 3.47Å; Q204-E208 WeakPolarHBondContact O-CG 3.29Å; Q204-E208 PolarHBondContact O-N 3.4Å
205S95.5Very high95.6Very high53 Ų5341.9 Ų41.937%0.37123%0.231SC..Hα-helixtrans-63.4-35.4-177.9-62.50000112.7N201 G209N201-S205 WeakPolarHBondContact O-CB 3.45Å; N201-S205 PolarHBondContact O-N 2.9Å; N201-S205 PolarHBondContact O-OG 2.86Å; N201-S205 VanDerWaalsContact O-OG 3.07Å; S205-G209 PolarHBondContact O-N 3.31Å
206T96.4Very high95.3Very high0 Ų045.4 Ų45.40%025%0.249CC..Hα-helixtrans-70.1-42.3175.7-53.40000111.4N202 L203 Q204 F210 V213 N217 V218N202-T206 VanDerWaalsContact O-CB 3.26Å; N202-T206 WeakPolarHBondContact O-CB 3.36Å; N202-T206 PolarHBondContact O-N 2.95Å; N202-T206 PolarHBondContact O-OG1 3.11Å; L203-T206 PolarHBondContact O-N 3.1Å; Q204-T206 VanDerWaalsContact C-N 3.31Å; Q204-T206 PolarHBondContact O-N 3.13Å; T206-F210 PolarHBondContact O-N 3.17Å; T206-V213 HydrophobicContact CG2-CB 4.28Å; T206-V213 HydrophobicContact CG2-CG1 4.28Å; T206-V213 HydrophobicContact CG2-CG2 4.08Å; T206-N217 HydrophobicContact CG2-CB 3.73Å; T206-V218 HydrophobicContact CG2-CG2 3.9Å
207H96.3Very high95.1Very high48 Ų4845.4 Ų45.422%0.22225%0.25CS..Hα-helixtrans-65-47.3177.2178.659.3000112W5 V178 L203 Q204 G211 V213W5-H207 HydrophobicContact CH2-CB 4.19Å; W5-H207 AromaticContact CH2-CD2 3.85Å; V178-H207 HydrophobicContact CG1-CB 4.1Å; V178-H207 HydrophobicContact CG2-CB 4.41Å; L203-H207 WeakPolarHBondContact O-CB 3.25Å; L203-H207 PolarHBondContact O-N 3.29Å; Q204-H207 PolarHBondContact O-N 2.94Å; H207-G211 PolarHBondContact ND1-O 3.15Å; H207-G211 WeakPolarHBondContact O-CA 3.28Å; H207-G211 PolarHBondContact O-N 2.68Å; H207-V213 HydrophobicContact CB-CG2 4.29Å
208E93.7Very high95Very high127 Ų12739.9 Ų39.959%0.59323%0.229SC*.Hα-helixtrans-68.8-34.7179.4-70176.2175.200112.4Q204Q204-E208 HydrophobicContact CG-CG 4.28Å; Q204-E208 WeakPolarHBondContact CG-OE1 3.34Å; Q204-E208 PolarHBondContact NE2-OE1 3.23Å; Q204-E208 WeakPolarHBondContact O-CB 3.47Å; Q204-E208 WeakPolarHBondContact O-CG 3.29Å; Q204-E208 PolarHBondContact O-N 3.4Å
209G92.8Very high94.7Very high55 Ų5537.6 Ų37.657%0.56722%0.218SC*.Hα-helixtrans-78.8-38-178.400000114.5S205S205-G209 PolarHBondContact O-N 3.31Å
210F93.9Very high94.2Very high99 Ų9943.9 Ų43.943%0.43425%0.246SC..Hα-helixtrans-127.2-7.1-171.1-66.3-80.6000114.8T206 M212 N217 K220 V221T206-F210 PolarHBondContact O-N 3.17Å; F210-M212 PolarHBondContact O-N 2.96Å; F210-N217 HydrophobicContact CB-CB 4.05Å; F210-N217 WeakPolarHBondContact CB-ND2 3.41Å; F210-N217 HydrophobicContact CD2-CB 3.8Å; F210-N217 HydrophobicContact CE2-CB 4.4Å; F210-N217 HydrophobicContact CG-CB 3.88Å; F210-K220 HydrophobicContact CE2-CB 4.39Å; F210-K220 HydrophobicContact CZ-CB 4.24Å; F210-K220 HydrophobicContact CZ-CD 4.18Å; F210-V221 HydrophobicContact CD2-CG2 3.91Å; F210-V221 HydrophobicContact CE2-CG2 3.59Å
211G92.3Very high93.8Very high38 Ų3845.9 Ų45.939%0.39226%0.258SS..SBendtrans74.7-33.2-177.400000114.7H207H207-G211 PolarHBondContact ND1-O 3.15Å; H207-G211 WeakPolarHBondContact O-CA 3.28Å; H207-G211 PolarHBondContact O-N 2.68Å
212M95.7Very high93.4Very high81 Ų8144.1 Ų44.140%0.39925%0.25SS..EExtended strand (participates in β ladder)trans-119.7127.1179.5178.566.874.100111.2S179 F210 S214 N217S179-M212 WeakPolarHBondContact O-CA 3.38Å; F210-M212 PolarHBondContact O-N 2.96Å; M212-S214 PolarHBondContact O-N 2.89Å; M212-N217 PolarHBondContact O-ND2 3.23Å
213V97.3Very high92.9Very high0 Ų048.6 Ų48.60%027%0.274CS..EExtended strand (participates in β ladder)trans-85.390.6174.7-177.70000109.4V178 S179 Y180 T181 L185 I188 L203 T206 H207 V218V178-V213 HydrophobicContact CG1-CB 4.42Å; V178-V213 HydrophobicContact CG1-CG2 3.49Å; V178-V213 VanDerWaalsContact CG1-CG2 3.49Å; S179-V213 PolarHBondContact O-N 2.88Å; Y180-V213 CarbonylContact C-O 3.51Å; Y180-V213 VanDerWaalsContact CA-O 3.31Å; Y180-V213 WeakPolarHBondContact CA-O 3.46Å; T181-V213 PolarHBondContact N-O 2.85Å; L185-V213 HydrophobicContact CD2-CG1 4.37Å; I188-V213 HydrophobicContact CD1-CG1 3.52Å; I188-V213 HydrophobicContact CG1-CG1 4.43Å; L203-V213 HydrophobicContact CD1-CG1 4.21Å; L203-V213 HydrophobicContact CD1-CG2 4.08Å; T206-V213 HydrophobicContact CG2-CB 4.28Å; T206-V213 HydrophobicContact CG2-CG1 4.28Å; T206-V213 HydrophobicContact CG2-CG2 4.08Å; H207-V213 HydrophobicContact CB-CG2 4.29Å; V213-V218 HydrophobicContact CG1-CG2 3.78Å
214S96Very high92.4Very high23 Ų2349.7 Ų49.716%0.16128%0.279CS..  trans-111.7162.3170.867.50000110.4M212 D216 N217 V218M212-S214 PolarHBondContact O-N 2.89Å; S214-D216 VanDerWaalsContact C-N 3.27Å; S214-D216 PolarHBondContact O-N 3.26Å; S214-N217 PolarHBondContact O-N 2.98Å; S214-N217 VanDerWaalsContact O-N 3.14Å; S214-N217 PolarHBondContact OG-N 2.93Å; S214-N217 PolarHBondContact OG-ND2 2.93Å; S214-V218 VanDerWaalsContact O-CG2 3.28Å; S214-V218 WeakPolarHBondContact O-CG2 3.45Å; S214-V218 PolarHBondContact O-N 3.48Å
215S92.6Very high92Very high31 Ų3148.8 Ų48.822%0.21728%0.275CS..Hα-helixtrans-53-45.6179.158.10000112.3N217 V218 F219S215-N217 VanDerWaalsContact C-N 3.34Å; S215-N217 PolarHBondContact O-N 2.84Å; S215-V218 PolarHBondContact O-N 2.98Å; S215-F219 WeakPolarHBondContact O-CD2 3.29Å; S215-F219 PolarHBondContact O-N 3.5Å
216D90Very high91.7Very high89 Ų8948.4 Ų48.448%0.47627%0.267SS..Hα-helixtrans-63.3-39.8-178.9-68.3-23.5000112.4S214 K220S214-D216 VanDerWaalsContact C-N 3.27Å; S214-D216 PolarHBondContact O-N 3.26Å; D216-K220 WeakPolarHBondContact O-CD 3.14Å; D216-K220 WeakPolarHBondContact O-CG 3.26Å; D216-K220 PolarHBondContact O-N 3.5Å
217N93.9Very high91.4Very high24 Ų2449.5 Ų49.513%0.12827%0.274CS..Hα-helixtrans-72-39.8179.4-68.1-15.9000110.7T206 F210 M212 S214 S215 K220 V221T206-N217 HydrophobicContact CG2-CB 3.73Å; F210-N217 HydrophobicContact CB-CB 4.05Å; F210-N217 WeakPolarHBondContact CB-ND2 3.41Å; F210-N217 HydrophobicContact CD2-CB 3.8Å; F210-N217 HydrophobicContact CE2-CB 4.4Å; F210-N217 HydrophobicContact CG-CB 3.88Å; M212-N217 PolarHBondContact O-ND2 3.23Å; S214-N217 PolarHBondContact O-N 2.98Å; S214-N217 VanDerWaalsContact O-N 3.14Å; S214-N217 PolarHBondContact OG-N 2.93Å; S214-N217 PolarHBondContact OG-ND2 2.93Å; S215-N217 VanDerWaalsContact C-N 3.34Å; S215-N217 PolarHBondContact O-N 2.84Å; N217-K220 PolarHBondContact O-N 3.28Å; N217-V221 WeakPolarHBondContact O-CG2 3.28Å; N217-V221 PolarHBondContact O-N 2.86Å
218V93.9Very high91.1Very high0 Ų052.4 Ų52.40%029%0.289CS..Hα-helixtrans-60.7-49.2177.81730000111.1A187 I188 T191 T206 V213 S214 S215 K220 V221 C222A187-V218 HydrophobicContact CB-CB 4Å; A187-V218 HydrophobicContact CB-CG1 3.85Å; A187-V218 HydrophobicContact CB-CG2 4.42Å; I188-V218 HydrophobicContact CD1-CG2 4.04Å; I188-V218 HydrophobicContact CG1-CB 4.35Å; I188-V218 HydrophobicContact CG1-CG1 3.7Å; I188-V218 HydrophobicContact CG1-CG2 3.62Å; T191-V218 HydrophobicContact CG2-CG1 4.49Å; T206-V218 HydrophobicContact CG2-CG2 3.9Å; V213-V218 HydrophobicContact CG1-CG2 3.78Å; S214-V218 VanDerWaalsContact O-CG2 3.28Å; S214-V218 WeakPolarHBondContact O-CG2 3.45Å; S214-V218 PolarHBondContact O-N 3.48Å; S215-V218 PolarHBondContact O-N 2.98Å; V218-K220 VanDerWaalsContact C-N 3.3Å; V218-K220 PolarHBondContact O-N 2.88Å; V218-V221 PolarHBondContact O-N 2.89Å; V218-V221 VanDerWaalsContact O-N 3.16Å; V218-C222 WeakPolarHBondContact O-CB 3.42Å; V218-C222 PolarHBondContact O-N 3.46Å; V218-C222 PolarHBondContact O-SG 3.35Å
219F89Confident91.1Very high15 Ų1548.5 Ų48.57%0.06627%0.272CS..Hα-helixtrans-67.4-29.6-179.9-66.9-59.6000113A187 F190 T191 S215 D223 H226 P227A187-F219 HydrophobicContact CB-CE1 4.41Å; A187-F219 HydrophobicContact CB-CE2 3.77Å; A187-F219 HydrophobicContact CB-CZ 3.68Å; F190-F219 HydrophobicContact CD1-CE1 4.35Å; T191-F219 HydrophobicContact CG2-CD1 4Å; T191-F219 HydrophobicContact CG2-CE1 3.66Å; S215-F219 WeakPolarHBondContact O-CD2 3.29Å; S215-F219 PolarHBondContact O-N 3.5Å; F219-D223 PolarHBondContact O-N 3.41Å; F219-H226 AromaticContact CD2-CD2 3.37Å; F219-H226 WeakPolarHBondContact CD2-CD2 3.45Å; F219-H226 AromaticContact CD2-NE2 3.61Å; F219-H226 AromaticContact CE2-CD2 3.93Å; F219-H226 AromaticContact CE2-NE2 3.77Å; F219-P227 VanDerWaalsContact CE1-CD 3.42Å; F219-P227 HydrophobicContact CE1-CG 3.69Å; F219-P227 HydrophobicContact CE2-CG 4.25Å; F219-P227 HydrophobicContact CZ-CG 3.48Å; F219-P227 VanDerWaalsContact CZ-CG 3.48Å
220K86.8Confident91.2Very high132 Ų13245.9 Ų45.957%0.57425%0.245SC*.Hα-helixtrans-66.9-38.2171.4-73.6168.8-169.7168.80112.6F210 D216 N217 V218F210-K220 HydrophobicContact CE2-CB 4.39Å; F210-K220 HydrophobicContact CZ-CB 4.24Å; F210-K220 HydrophobicContact CZ-CD 4.18Å; D216-K220 WeakPolarHBondContact O-CD 3.14Å; D216-K220 WeakPolarHBondContact O-CG 3.26Å; D216-K220 PolarHBondContact O-N 3.5Å; N217-K220 PolarHBondContact O-N 3.28Å; V218-K220 VanDerWaalsContact C-N 3.3Å; V218-K220 PolarHBondContact O-N 2.88Å
221V89.2Confident91.2Very high48 Ų4845.4 Ų45.429%0.29124%0.243SC..Hα-helixtrans-74-40.9177.8172.50000111.7F210 N217 V218 D223F210-V221 HydrophobicContact CD2-CG2 3.91Å; F210-V221 HydrophobicContact CE2-CG2 3.59Å; N217-V221 WeakPolarHBondContact O-CG2 3.28Å; N217-V221 PolarHBondContact O-N 2.86Å; V218-V221 PolarHBondContact O-N 2.89Å; V218-V221 VanDerWaalsContact O-N 3.16Å; V221-D223 PolarHBondContact O-N 3.48Å
222C87Confident91.4Very high25 Ų2547.7 Ų47.717%0.16924%0.244CC..Hα-helixtrans-74.3-13.8-178.4-59.40000113T191 N202 V218 E224T191-C222 HydrophobicContact CG2-CB 4.27Å; N202-C222 VanDerWaalsContact CG-SG 3.56Å; N202-C222 PolarHBondContact ND2-SG 3.31Å; V218-C222 WeakPolarHBondContact O-CB 3.42Å; V218-C222 PolarHBondContact O-N 3.46Å; V218-C222 PolarHBondContact O-SG 3.35Å; C222-E224 HydrophobicContact CB-CB 4.44Å; C222-E224 HydrophobicContact CB-CG 4.22Å; C222-E224 PolarHBondContact O-N 2.84Å
223D84.4Confident91.5Very high114 Ų11444 Ų4461%0.6123%0.225SC*.THydrogen-bonded Turntrans52.935.6-173.7-158.628.7000113F219 V221 Y257F219-D223 PolarHBondContact O-N 3.41Å; V221-D223 PolarHBondContact O-N 3.48Å; D223-Y257 WeakPolarHBondContact O-CD1 3.29Å; D223-Y257 VanDerWaalsContact O-CE1 3.27Å; D223-Y257 WeakPolarHBondContact O-CE1 3.48Å
224E86.8Confident91.4Very high22 Ų2244 Ų4410%0.10323%0.225CC..  trans-105.7146.7179.4-72.4-171177.200111.5T191 C222 H226 Y257 I265 R268T191-E224 WeakPolarHBondContact CG2-OE2 3.11Å; C222-E224 HydrophobicContact CB-CB 4.44Å; C222-E224 HydrophobicContact CB-CG 4.22Å; C222-E224 PolarHBondContact O-N 2.84Å; E224-H226 PolarHBondContact O-N 3.3Å; E224-Y257 PolarHBondContact O-OH 2.98Å; E224-I265 VanDerWaalsContact OE2-CD1 3.28Å; E224-I265 WeakPolarHBondContact OE2-CD1 3.43Å; E224-R268 IonicContact OE1-NH1 3.04Å; E224-R268 IonicContact OE2-NH1 2.69Å
225P88.8Confident91.4Very high0 Ų045.4 Ų45.40%023%0.231CC..  trans-55.1130.4172.9-26.333.5000112.8P227 I230 L252 Y257 D261 I262P225-P227 WeakPolarHBondContact O-CD 3.48Å; P225-I230 HydrophobicContact CB-CD1 4.29Å; P225-I230 HydrophobicContact CB-CG1 4.21Å; P225-L252 HydrophobicContact CB-CD2 4.05Å; P225-Y257 HydrophobicContact CB-CD2 4.33Å; P225-Y257 HydrophobicContact CB-CE2 4.43Å; P225-Y257 HydrophobicContact CG-CD1 4.03Å; P225-Y257 HydrophobicContact CG-CD2 3.96Å; P225-Y257 HydrophobicContact CG-CE1 4.5Å; P225-Y257 HydrophobicContact CG-CE2 4.41Å; P225-Y257 HydrophobicContact CG-CG 3.74Å; P225-D261 HydrophobicContact CG-CB 4.31Å; P225-I262 HydrophobicContact CG-CG1 4Å
226H89.4Confident91.6Very high46 Ų4646.1 Ų46.121%0.21323%0.231CC..  trans-60.2123.4179.6-165.6-73.1000111.3F219 E224 M228 L229 I230F219-H226 AromaticContact CD2-CD2 3.37Å; F219-H226 WeakPolarHBondContact CD2-CD2 3.45Å; F219-H226 AromaticContact CD2-NE2 3.61Å; F219-H226 AromaticContact CE2-CD2 3.93Å; F219-H226 AromaticContact CE2-NE2 3.77Å; E224-H226 PolarHBondContact O-N 3.3Å; H226-M228 WeakPolarHBondContact ND1-CB 3.29Å; H226-M228 PolarHBondContact ND1-N 2.95Å; H226-M228 VanDerWaalsContact ND1-N 3.17Å; H226-M228 PolarHBondContact O-N 3.42Å; H226-L229 HydrophobicContact CB-CD1 4.4Å; H226-L229 HydrophobicContact CB-CG 4.48Å; H226-L229 PolarHBondContact O-N 3.11Å; H226-I230 PolarHBondContact O-N 2.64Å
227P89.2Confident91.8Very high23 Ų2341.9 Ų41.915%0.14921%0.208CC..Hα-helixtrans-57.6-29.9-174.1-29.436.5000114.3F190 F219 P225 L229 I230 K231 V269F190-P227 HydrophobicContact CD1-CG 3.93Å; F190-P227 HydrophobicContact CE1-CB 4.3Å; F190-P227 HydrophobicContact CE1-CG 3.52Å; F190-P227 HydrophobicContact CZ-CB 4.37Å; F190-P227 HydrophobicContact CZ-CG 4.08Å; F219-P227 VanDerWaalsContact CE1-CD 3.42Å; F219-P227 HydrophobicContact CE1-CG 3.69Å; F219-P227 HydrophobicContact CE2-CG 4.25Å; F219-P227 HydrophobicContact CZ-CG 3.48Å; F219-P227 VanDerWaalsContact CZ-CG 3.48Å; P225-P227 WeakPolarHBondContact O-CD 3.48Å; P227-L229 PolarHBondContact O-N 2.99Å; P227-I230 PolarHBondContact O-N 3.49Å; P227-K231 WeakPolarHBondContact O-CB 3.28Å; P227-K231 PolarHBondContact O-N 2.88Å; P227-V269 HydrophobicContact CB-CG2 4.04Å
228M90.6Very high91.8Very high109 Ų10942.1 Ų42.154%0.53721%0.212SC..Hα-helixtrans-62.3-38.3175.6-155.284.874.700113.2H226 K231 Q232H226-M228 WeakPolarHBondContact ND1-CB 3.29Å; H226-M228 PolarHBondContact ND1-N 2.95Å; H226-M228 VanDerWaalsContact ND1-N 3.17Å; H226-M228 PolarHBondContact O-N 3.42Å; M228-K231 PolarHBondContact O-N 3.32Å; M228-Q232 WeakPolarHBondContact O-CG 3.31Å; M228-Q232 PolarHBondContact O-N 3.36Å
229L93.1Very high91.7Very high45 Ų4548.7 Ų48.724%0.23624%0.24CC..Hα-helixtrans-68.2-41.6176-67.7175.2000110.3H226 P227 K231 Q232 L233 I248 L252H226-L229 HydrophobicContact CB-CD1 4.4Å; H226-L229 HydrophobicContact CB-CG 4.48Å; H226-L229 PolarHBondContact O-N 3.11Å; P227-L229 PolarHBondContact O-N 2.99Å; L229-K231 VanDerWaalsContact C-N 3.35Å; L229-Q232 PolarHBondContact O-N 2.82Å; L229-L233 WeakPolarHBondContact O-CB 3.39Å; L229-L233 PolarHBondContact O-N 3.47Å; L229-I248 HydrophobicContact CB-CG2 4.05Å; L229-I248 WeakPolarHBondContact O-CG2 3.19Å; L229-L252 HydrophobicContact CB-CD2 4.34Å; L229-L252 HydrophobicContact CD1-CD2 3.74Å
230I95.1Very high91.9Very high0 Ų049 Ų490%025%0.248CC..Hα-helixtrans-64.3-40.4175.8-62.3-66.3000111.1P225 H226 P227 L233 I234 L252 I262 I265 V269P225-I230 HydrophobicContact CB-CD1 4.29Å; P225-I230 HydrophobicContact CB-CG1 4.21Å; H226-I230 PolarHBondContact O-N 2.64Å; P227-I230 PolarHBondContact O-N 3.49Å; I230-L233 WeakPolarHBondContact O-CB 3.35Å; I230-L233 PolarHBondContact O-N 3.17Å; I230-I234 HydrophobicContact CG2-CD1 3.84Å; I230-I234 WeakPolarHBondContact O-CD1 3.37Å; I230-I234 VanDerWaalsContact O-CG1 3.29Å; I230-I234 WeakPolarHBondContact O-CG1 3.01Å; I230-I234 PolarHBondContact O-N 3.42Å; I230-L252 HydrophobicContact CD1-CD1 3.48Å; I230-L252 VanDerWaalsContact CD1-CD1 3.48Å; I230-L252 HydrophobicContact CG1-CD1 4.4Å; I230-I262 HydrophobicContact CD1-CG2 4.3Å; I230-I265 HydrophobicContact CB-CG2 4.4Å; I230-I265 HydrophobicContact CG1-CB 4.47Å; I230-I265 HydrophobicContact CG1-CG2 3.91Å; I230-I265 HydrophobicContact CG2-CG2 4.46Å; I230-V269 HydrophobicContact CB-CG2 4.21Å; I230-V269 HydrophobicContact CG2-CB 3.86Å; I230-V269 HydrophobicContact CG2-CG1 4.26Å; I230-V269 HydrophobicContact CG2-CG2 3.81Å
231K95.2Very high92.3Very high89 Ų8946.9 Ų46.939%0.38724%0.24SC..Hα-helixtrans-59.5-49173.5-175.7-178.5175.7-1770111.1P227 M228 L229 L233 I234 D235 V269P227-K231 WeakPolarHBondContact O-CB 3.28Å; P227-K231 PolarHBondContact O-N 2.88Å; M228-K231 PolarHBondContact O-N 3.32Å; L229-K231 VanDerWaalsContact C-N 3.35Å; K231-L233 VanDerWaalsContact C-N 3.3Å; K231-L233 PolarHBondContact O-N 3.3Å; K231-I234 PolarHBondContact O-N 3.19Å; K231-I234 VanDerWaalsContact O-N 3.15Å; K231-D235 PolarHBondContact O-N 3.27Å; K231-V269 HydrophobicContact CB-CG1 4.08Å
232Q96.3Very high92.6Very high86 Ų8648 Ų4840%0.40224%0.244SC..Hα-helixtrans-60.3-39.7175.7-71.7173.425.800112.1M228 L229 D235 H236 I248M228-Q232 WeakPolarHBondContact O-CG 3.31Å; M228-Q232 PolarHBondContact O-N 3.36Å; L229-Q232 PolarHBondContact O-N 2.82Å; Q232-D235 PolarHBondContact O-N 3.19Å; Q232-H236 PolarHBondContact O-CD2 3.29Å; Q232-H236 PolarHBondContact O-N 3.43Å; Q232-I248 HydrophobicContact CB-CD1 3.61Å
233L96.7Very high93Very high3 Ų351.2 Ų51.22%0.01627%0.267CS..Hα-helixtrans-61-44.4174.8175.2159.3000111.2L229 I230 K231 H236 C237 A245 I248 L249 L308L229-L233 WeakPolarHBondContact O-CB 3.39Å; L229-L233 PolarHBondContact O-N 3.47Å; I230-L233 WeakPolarHBondContact O-CB 3.35Å; I230-L233 PolarHBondContact O-N 3.17Å; K231-L233 VanDerWaalsContact C-N 3.3Å; K231-L233 PolarHBondContact O-N 3.3Å; L233-H236 PolarHBondContact O-N 3.47Å; L233-C237 PolarHBondContact O-N 3.4Å; L233-C237 PolarHBondContact O-SG 2.92Å; L233-C237 VanDerWaalsContact O-SG 3.37Å; L233-A245 HydrophobicContact CG-CB 4.47Å; L233-I248 HydrophobicContact CB-CB 4.28Å; L233-I248 HydrophobicContact CB-CD1 4.31Å; L233-I248 HydrophobicContact CB-CG2 4.06Å; L233-I248 HydrophobicContact CD1-CB 4.49Å; L233-I248 HydrophobicContact CD1-CG2 4.33Å; L233-L249 HydrophobicContact CD1-CB 4.03Å; L233-L308 HydrophobicContact CD1-CD2 4.1Å; L233-L308 HydrophobicContact CD2-CD2 3.52Å; L233-L308 HydrophobicContact CG-CD2 3.94Å
234I96Very high93.6Very high0 Ų047.1 Ų47.10%025%0.249CC..Hα-helixtrans-66-40.1175.7-66.7156.4000111.2I230 K231 C237 S238 V269 I270 F283I230-I234 HydrophobicContact CG2-CD1 3.84Å; I230-I234 WeakPolarHBondContact O-CD1 3.37Å; I230-I234 VanDerWaalsContact O-CG1 3.29Å; I230-I234 WeakPolarHBondContact O-CG1 3.01Å; I230-I234 PolarHBondContact O-N 3.42Å; K231-I234 PolarHBondContact O-N 3.19Å; K231-I234 VanDerWaalsContact O-N 3.15Å; I234-C237 PolarHBondContact O-N 3.2Å; I234-S238 WeakPolarHBondContact O-CB 3.19Å; I234-S238 PolarHBondContact O-N 3.38Å; I234-S238 PolarHBondContact O-OG 2.99Å; I234-V269 HydrophobicContact CD1-CB 3.86Å; I234-V269 HydrophobicContact CD1-CG1 3.53Å; I234-I270 HydrophobicContact CD1-CD1 4.36Å; I234-I270 HydrophobicContact CD1-CG1 3.51Å; I234-I270 HydrophobicContact CG1-CD1 4.47Å; I234-I270 HydrophobicContact CG1-CG1 3.94Å; I234-I270 HydrophobicContact CG2-CG1 4.37Å; I234-F283 HydrophobicContact CG2-CD1 4.28Å; I234-F283 HydrophobicContact CG2-CE1 4.14Å
235D95.6Very high94.1Very high52 Ų5246 Ų4628%0.27824%0.244SC..Hα-helixtrans-60.6-45.8176.3-75.2-41.8000111.1K231 Q232 S238 K239 H273K231-D235 PolarHBondContact O-N 3.27Å; Q232-D235 PolarHBondContact O-N 3.19Å; D235-S238 PolarHBondContact O-N 3.45Å; D235-K239 WeakPolarHBondContact O-CG 3.47Å; D235-K239 PolarHBondContact O-N 3.42Å; D235-H273 IonicContact OD1-CE1 3.5Å; D235-H273 PolarHBondContact OD1-CE1 3.17Å; D235-H273 IonicContact OD1-NE2 3.03Å; D235-H273 PolarHBondContact OD1-NE2 3.25Å
236H96.4Very high94.5Very high47 Ų4748.2 Ų48.222%0.21825%0.254CS..Hα-helixtrans-63.4-41.9174.8-73.3-55.5000111.8Q232 L233 S238 K239 G240 E241 A244 A245Q232-H236 PolarHBondContact O-CD2 3.29Å; Q232-H236 PolarHBondContact O-N 3.43Å; L233-H236 PolarHBondContact O-N 3.47Å; H236-S238 VanDerWaalsContact C-N 3.31Å; H236-S238 PolarHBondContact O-N 2.88Å; H236-K239 PolarHBondContact O-N 2.87Å; H236-G240 PolarHBondContact O-N 3.05Å; H236-E241 HydrophobicContact CB-CB 4.23Å; H236-E241 IonicContact CE1-OE2 3.52Å; H236-E241 IonicContact CG-OE2 3.79Å; H236-E241 IonicContact ND1-OE2 2.71Å; H236-E241 PolarHBondContact ND1-OE2 3.25Å; H236-E241 PolarHBondContact O-N 2.93Å; H236-A244 HydrophobicContact CB-CB 4.22Å; H236-A244 WeakPolarHBondContact ND1-CB 3.39Å; H236-A245 HydrophobicContact CB-CB 3.87Å
237C95.2Very high94.9Very high0 Ų053.4 Ų53.40%028%0.276CS..Hα-helixtrans-62.3-39.2174.2-73.70000112.4L233 I234 K239 G240 F283 L311 V315L233-C237 PolarHBondContact O-N 3.4Å; L233-C237 PolarHBondContact O-SG 2.92Å; L233-C237 VanDerWaalsContact O-SG 3.37Å; I234-C237 PolarHBondContact O-N 3.2Å; C237-K239 PolarHBondContact O-N 3.21Å; C237-G240 PolarHBondContact O-N 3.31Å; C237-F283 HydrophobicContact CB-CE1 4.05Å; C237-F283 HydrophobicContact CB-CZ 4.16Å; C237-L311 HydrophobicContact CB-CB 3.96Å; C237-L311 HydrophobicContact CB-CD1 4.46Å; C237-V315 WeakPolarHBondContact O-CG2 3.31Å
238S92.4Very high95.3Very high29 Ų2953.2 Ų53.220%0.20327%0.273CS..Hα-helixtrans-67.3-16.5177.9-57.80000113.1I234 D235 H236 V315I234-S238 WeakPolarHBondContact O-CB 3.19Å; I234-S238 PolarHBondContact O-N 3.38Å; I234-S238 PolarHBondContact O-OG 2.99Å; D235-S238 PolarHBondContact O-N 3.45Å; H236-S238 VanDerWaalsContact C-N 3.31Å; H236-S238 PolarHBondContact O-N 2.88Å; S238-V315 WeakPolarHBondContact O-CG1 3.49Å
239K92.7Very high95.6Very high137 Ų13748.1 Ų48.160%0.59625%0.248SC*.THydrogen-bonded Turntrans-100.5-0.7173-64.9170.4-174.6174.60113.3D235 H236 C237 E241D235-K239 WeakPolarHBondContact O-CG 3.47Å; D235-K239 PolarHBondContact O-N 3.42Å; H236-K239 PolarHBondContact O-N 2.87Å; C237-K239 PolarHBondContact O-N 3.21Å; K239-E241 VanDerWaalsContact C-N 3.27Å; K239-E241 HydrophobicContact CB-CG 3.9Å; K239-E241 PolarHBondContact O-N 2.74Å
240G92.9Very high95.8Very high22 Ų2252.7 Ų52.723%0.22726%0.262CS..THydrogen-bonded Turntrans73.712.7-174.300000114.7H236 C237 L242H236-G240 PolarHBondContact O-N 3.05Å; C237-G240 PolarHBondContact O-N 3.31Å; G240-L242 VanDerWaalsContact C-N 3.33Å; G240-L242 PolarHBondContact O-N 3.5Å
241E95.1Very high95.8Very high87 Ų8757.2 Ų57.241%0.40728%0.283SS..  trans-84.367.3-175-64.5173.7177.600112H236 K239 S243 A244 A245H236-E241 HydrophobicContact CB-CB 4.23Å; H236-E241 IonicContact CE1-OE2 3.52Å; H236-E241 IonicContact CG-OE2 3.79Å; H236-E241 IonicContact ND1-OE2 2.71Å; H236-E241 PolarHBondContact ND1-OE2 3.25Å; H236-E241 PolarHBondContact O-N 2.93Å; K239-E241 VanDerWaalsContact C-N 3.27Å; K239-E241 HydrophobicContact CB-CG 3.9Å; K239-E241 PolarHBondContact O-N 2.74Å; E241-S243 VanDerWaalsContact C-N 3.31Å; E241-S243 PolarHBondContact O-N 3.26Å; E241-A244 HydrophobicContact CB-CB 4.16Å; E241-A244 PolarHBondContact O-N 2.97Å; E241-A244 VanDerWaalsContact O-N 3.11Å; E241-A245 PolarHBondContact O-N 3.35Å; E241-A245 VanDerWaalsContact O-N 3.11Å
242L95.3Very high95.8Very high71 Ų7153 Ų5337%0.37227%0.265SS..Hα-helixtrans-53.7-43.7-174.6179.359.1000113.6G240 A244 A245 H246 L308 A309G240-L242 VanDerWaalsContact C-N 3.33Å; G240-L242 PolarHBondContact O-N 3.5Å; L242-A244 VanDerWaalsContact C-N 3.31Å; L242-A244 PolarHBondContact O-N 3.17Å; L242-A245 PolarHBondContact O-N 3.37Å; L242-H246 VanDerWaalsContact O-CB 3.31Å; L242-H246 WeakPolarHBondContact O-CB 3.4Å; L242-H246 PolarHBondContact O-N 3.27Å; L242-L308 HydrophobicContact CD1-CB 3.73Å; L242-A309 HydrophobicContact CD1-CB 4.26Å; L242-A309 HydrophobicContact CD2-CB 4.21Å
243S96.1Very high95.8Very high94 Ų9453.1 Ų53.166%0.65726%0.262SS*.Hα-helixtrans-63.6-35.9-178.4-61.90000112.8E241 K247E241-S243 VanDerWaalsContact C-N 3.31Å; E241-S243 PolarHBondContact O-N 3.26Å; S243-K247 WeakPolarHBondContact O-CG 3.38Å; S243-K247 PolarHBondContact O-N 3.07Å
244A97.1Very high95.7Very high27 Ų2758.2 Ų58.222%0.22329%0.293CS..Hα-helixtrans-73.1-46.5177.900000110.8H236 E241 L242 H246 K247 I248H236-A244 HydrophobicContact CB-CB 4.22Å; H236-A244 WeakPolarHBondContact ND1-CB 3.39Å; E241-A244 HydrophobicContact CB-CB 4.16Å; E241-A244 PolarHBondContact O-N 2.97Å; E241-A244 VanDerWaalsContact O-N 3.11Å; L242-A244 VanDerWaalsContact C-N 3.31Å; L242-A244 PolarHBondContact O-N 3.17Å; A244-H246 VanDerWaalsContact C-N 3.28Å; A244-H246 PolarHBondContact O-N 3.31Å; A244-K247 WeakPolarHBondContact O-CB 3.39Å; A244-K247 PolarHBondContact O-N 2.97Å; A244-K247 VanDerWaalsContact O-N 3.15Å; A244-I248 PolarHBondContact O-N 3.24Å
245A96.8Very high95.5Very high0 Ų062.7 Ų62.70%032%0.317CS..Hα-helixtrans-57.6-41.2174.700000112.1L233 H236 E241 L242 K247 I248 L249 L308L233-A245 HydrophobicContact CG-CB 4.47Å; H236-A245 HydrophobicContact CB-CB 3.87Å; E241-A245 PolarHBondContact O-N 3.35Å; E241-A245 VanDerWaalsContact O-N 3.11Å; L242-A245 PolarHBondContact O-N 3.37Å; A245-K247 VanDerWaalsContact C-N 3.33Å; A245-K247 PolarHBondContact O-N 3.42Å; A245-I248 PolarHBondContact O-N 3.14Å; A245-L249 PolarHBondContact O-N 3.29Å; A245-L308 HydrophobicContact CB-CD1 3.99Å
246H96.9Very high95.3Very high46 Ų4663.2 Ų63.221%0.21333%0.334CS..Hα-helixtrans-65.3-32.4179.1-169.784.8000113.2L242 A244 I248 L249 R250 Y301 L308L242-H246 VanDerWaalsContact O-CB 3.31Å; L242-H246 WeakPolarHBondContact O-CB 3.4Å; L242-H246 PolarHBondContact O-N 3.27Å; A244-H246 VanDerWaalsContact C-N 3.28Å; A244-H246 PolarHBondContact O-N 3.31Å; H246-I248 VanDerWaalsContact C-N 3.34Å; H246-L249 PolarHBondContact O-N 3.46Å; H246-R250 PolarHBondContact NE2-NH2 3.46Å; H246-R250 WeakPolarHBondContact O-CB 3.21Å; H246-R250 PolarHBondContact O-N 2.89Å; H246-Y301 PolarHBondContact CD2-OH 3.11Å; H246-Y301 AromaticContact CE1-CE1 3.53Å; H246-Y301 AromaticContact CE1-CZ 3.51Å; H246-Y301 PolarHBondContact CE1-OH 2.83Å; H246-Y301 AromaticContact NE2-CE1 3.82Å; H246-Y301 AromaticContact NE2-CZ 3.68Å; H246-Y301 PolarHBondContact NE2-OH 3.44Å; H246-L308 HydrophobicContact CB-CD1 4.46Å
247K97.6Very high95.1Very high155 Ų15562.8 Ų62.867%0.67433%0.331SS*.Hα-helixtrans-63.4-41.9175-73.9173.6-177.9-179.90111.3S243 A244 A245 R250 H251S243-K247 WeakPolarHBondContact O-CG 3.38Å; S243-K247 PolarHBondContact O-N 3.07Å; A244-K247 WeakPolarHBondContact O-CB 3.39Å; A244-K247 PolarHBondContact O-N 2.97Å; A244-K247 VanDerWaalsContact O-N 3.15Å; A245-K247 VanDerWaalsContact C-N 3.33Å; A245-K247 PolarHBondContact O-N 3.42Å; K247-R250 PolarHBondContact O-N 3.16Å; K247-H251 PolarHBondContact O-N 3.02Å
248I97.5Very high95Very high19 Ų1965 Ų6510%0.09735%0.346CS..Hα-helixtrans-66.6-46.7177.4-58.8178.1000110.3L229 Q232 L233 A244 A245 H246 R250 H251 L252L229-I248 HydrophobicContact CB-CG2 4.05Å; L229-I248 WeakPolarHBondContact O-CG2 3.19Å; Q232-I248 HydrophobicContact CB-CD1 3.61Å; L233-I248 HydrophobicContact CB-CB 4.28Å; L233-I248 HydrophobicContact CB-CD1 4.31Å; L233-I248 HydrophobicContact CB-CG2 4.06Å; L233-I248 HydrophobicContact CD1-CB 4.49Å; L233-I248 HydrophobicContact CD1-CG2 4.33Å; A244-I248 PolarHBondContact O-N 3.24Å; A245-I248 PolarHBondContact O-N 3.14Å; H246-I248 VanDerWaalsContact C-N 3.34Å; I248-R250 VanDerWaalsContact C-N 3.3Å; I248-R250 PolarHBondContact O-N 3.38Å; I248-H251 WeakPolarHBondContact O-CB 3.33Å; I248-H251 PolarHBondContact O-N 3.3Å; I248-H251 VanDerWaalsContact O-N 3.13Å; I248-L252 HydrophobicContact CG2-CD1 4.29Å; I248-L252 WeakPolarHBondContact O-CG 3.37Å; I248-L252 PolarHBondContact O-N 3.48Å
249L97.6Very high95.1Very high1 Ų164 Ų641%0.00534%0.339CS..Hα-helixtrans-58.6-42.7175.8174.864000112L233 A245 H246 H251 L252 W253 I262 Y301 L304 A305 L308L233-L249 HydrophobicContact CD1-CB 4.03Å; A245-L249 PolarHBondContact O-N 3.29Å; H246-L249 PolarHBondContact O-N 3.46Å; L249-H251 VanDerWaalsContact C-N 3.32Å; L249-H251 PolarHBondContact O-N 3.04Å; L249-L252 PolarHBondContact O-N 2.98Å; L249-W253 WeakPolarHBondContact O-CB 3.35Å; L249-W253 PolarHBondContact O-N 2.98Å; L249-I262 HydrophobicContact CD1-CD1 4.29Å; L249-I262 HydrophobicContact CD1-CG2 4.18Å; L249-Y301 HydrophobicContact CD2-CE2 4.27Å; L249-Y301 HydrophobicContact CG-CE2 3.99Å; L249-L304 HydrophobicContact CD1-CB 3.89Å; L249-L304 HydrophobicContact CD1-CD1 3.87Å; L249-L304 HydrophobicContact CD1-CG 4.5Å; L249-L304 HydrophobicContact CD2-CB 3.69Å; L249-L304 HydrophobicContact CG-CB 4.4Å; L249-A305 HydrophobicContact CD2-CB 4.3Å; L249-L308 HydrophobicContact CB-CD1 3.81Å; L249-L308 HydrophobicContact CD2-CD1 3.63Å; L249-L308 HydrophobicContact CD2-CG 4.06Å; L249-L308 HydrophobicContact CG-CD1 4.35Å
250R97.3Very high95.1Very high141 Ų14163.1 Ų63.153%0.53234%0.338SS..Hα-helixtrans-59.6-44.8175.5-173.2174.4-74.3173.9-3.7111.2H246 K247 I248 W253 T254 Y301H246-R250 PolarHBondContact NE2-NH2 3.46Å; H246-R250 WeakPolarHBondContact O-CB 3.21Å; H246-R250 PolarHBondContact O-N 2.89Å; K247-R250 PolarHBondContact O-N 3.16Å; I248-R250 VanDerWaalsContact C-N 3.3Å; I248-R250 PolarHBondContact O-N 3.38Å; R250-W253 PolarHBondContact O-N 3.31Å; R250-T254 WeakPolarHBondContact O-CB 3.45Å; R250-T254 PolarHBondContact O-N 3.25Å; R250-T254 PolarHBondContact O-OG1 2.66Å; R250-Y301 WeakPolarHBondContact CB-OH 3.5Å
251H96.3Very high95.1Very high96 Ų9664.7 Ų64.744%0.44434%0.341SS..Hα-helixtrans-60-49.2177.9179.851.6000111.6K247 I248 L249 W253 T254 L255K247-H251 PolarHBondContact O-N 3.02Å; I248-H251 WeakPolarHBondContact O-CB 3.33Å; I248-H251 PolarHBondContact O-N 3.3Å; I248-H251 VanDerWaalsContact O-N 3.13Å; L249-H251 VanDerWaalsContact C-N 3.32Å; L249-H251 PolarHBondContact O-N 3.04Å; H251-W253 VanDerWaalsContact C-N 3.32Å; H251-W253 PolarHBondContact O-N 2.85Å; H251-T254 PolarHBondContact O-N 2.79Å; H251-L255 WeakPolarHBondContact O-CG 3.32Å; H251-L255 PolarHBondContact O-N 2.78Å; H251-L255 VanDerWaalsContact O-N 3.08Å
252L94.7Very high95.1Very high0 Ų060.8 Ų60.80%032%0.323CS..Hα-helixtrans-58.6-42.6175.8-67.8174.6000112.1P225 L229 I230 I248 L249 L255 Y257 I262P225-L252 HydrophobicContact CB-CD2 4.05Å; L229-L252 HydrophobicContact CB-CD2 4.34Å; L229-L252 HydrophobicContact CD1-CD2 3.74Å; I230-L252 HydrophobicContact CD1-CD1 3.48Å; I230-L252 VanDerWaalsContact CD1-CD1 3.48Å; I230-L252 HydrophobicContact CG1-CD1 4.4Å; I248-L252 HydrophobicContact CG2-CD1 4.29Å; I248-L252 WeakPolarHBondContact O-CG 3.37Å; I248-L252 PolarHBondContact O-N 3.48Å; L249-L252 PolarHBondContact O-N 2.98Å; L252-L255 PolarHBondContact O-N 3.23Å; L252-Y257 HydrophobicContact CB-CD2 4.29Å; L252-Y257 HydrophobicContact CD2-CD2 4.01Å; L252-Y257 HydrophobicContact CD2-CE2 4.04Å; L252-Y257 WeakPolarHBondContact O-CD2 3.39Å; L252-I262 HydrophobicContact CB-CD1 4.13Å
253W95.2Very high95.1Very high89 Ų8957.4 Ų57.434%0.33731%0.305SS..Hα-helixtrans-65-39.8177.3-170.3-90.6000112.6L249 R250 H251 L255 G256 A259 I262 G299 Y301 L304L249-W253 WeakPolarHBondContact O-CB 3.35Å; L249-W253 PolarHBondContact O-N 2.98Å; R250-W253 PolarHBondContact O-N 3.31Å; H251-W253 VanDerWaalsContact C-N 3.32Å; H251-W253 PolarHBondContact O-N 2.85Å; W253-L255 VanDerWaalsContact C-N 3.27Å; W253-L255 PolarHBondContact O-N 3.17Å; W253-G256 PolarHBondContact O-N 2.91Å; W253-G256 VanDerWaalsContact O-N 3.09Å; W253-A259 HydrophobicContact CZ3-CB 4.18Å; W253-I262 HydrophobicContact CE3-CD1 4.39Å; W253-G299 WeakPolarHBondContact CH2-O 3.41Å; W253-Y301 HydrophobicContact CB-CD2 3.79Å; W253-Y301 HydrophobicContact CB-CE2 3.88Å; W253-Y301 AromaticContact CD1-CD2 3.92Å; W253-Y301 AromaticContact CD2-CD2 3.59Å; W253-Y301 HydrophobicContact CD2-CD2 3.59Å; W253-Y301 HydrophobicContact CD2-CG 4.25Å; W253-Y301 HydrophobicContact CE3-CD2 4.02Å; W253-Y301 AromaticContact CG-CD2 3.46Å; W253-Y301 HydrophobicContact CG-CD2 3.46Å; W253-Y301 VanDerWaalsContact CG-CD2 3.46Å; W253-Y301 HydrophobicContact CG-CE2 4.02Å; W253-Y301 HydrophobicContact CG-CG 4.35Å; W253-L304 HydrophobicContact CE3-CD1 3.93Å; W253-L304 HydrophobicContact CZ3-CD1 3.81Å
254T95.3Very high95Very high110 Ų11054.7 Ų54.768%0.67529%0.285SS*.Hα-helixtrans-68-27.1177.2-59.40000112.6R250 H251 G256R250-T254 WeakPolarHBondContact O-CB 3.45Å; R250-T254 PolarHBondContact O-N 3.25Å; R250-T254 PolarHBondContact O-OG1 2.66Å; H251-T254 PolarHBondContact O-N 2.79Å; T254-G256 PolarHBondContact O-N 3.18Å
255L91.6Very high94.8Very high94 Ų9453.5 Ų53.549%0.49227%0.274SS..THydrogen-bonded Turntrans-70.2-11.3172.1-68.6173.2000113.1H251 L252 W253 Y257H251-L255 WeakPolarHBondContact O-CG 3.32Å; H251-L255 PolarHBondContact O-N 2.78Å; H251-L255 VanDerWaalsContact O-N 3.08Å; L252-L255 PolarHBondContact O-N 3.23Å; W253-L255 VanDerWaalsContact C-N 3.27Å; W253-L255 PolarHBondContact O-N 3.17Å; L255-Y257 HydrophobicContact CB-CD2 3.95Å; L255-Y257 HydrophobicContact CB-CE2 3.83Å; L255-Y257 HydrophobicContact CD1-CD2 4.46Å; L255-Y257 HydrophobicContact CD1-CE2 3.77Å; L255-Y257 HydrophobicContact CG-CE2 4.47Å
256G92Very high94.8Very high63 Ų6353.7 Ų53.765%0.64928%0.276SS*.THydrogen-bonded Turntrans95.63.2175.800000114.8W253 T254 S258W253-G256 PolarHBondContact O-N 2.91Å; W253-G256 VanDerWaalsContact O-N 3.09Å; T254-G256 PolarHBondContact O-N 3.18Å; G256-S258 PolarHBondContact O-N 3.49Å
257Y92.8Very high94.7Very high38 Ų3855.5 Ų55.515%0.14928%0.283CS..  trans-60.7137.4177-64.4-57.6000111.7D223 E224 P225 L252 L255D223-Y257 WeakPolarHBondContact O-CD1 3.29Å; D223-Y257 VanDerWaalsContact O-CE1 3.27Å; D223-Y257 WeakPolarHBondContact O-CE1 3.48Å; E224-Y257 PolarHBondContact O-OH 2.98Å; P225-Y257 HydrophobicContact CB-CD2 4.33Å; P225-Y257 HydrophobicContact CB-CE2 4.43Å; P225-Y257 HydrophobicContact CG-CD1 4.03Å; P225-Y257 HydrophobicContact CG-CD2 3.96Å; P225-Y257 HydrophobicContact CG-CE1 4.5Å; P225-Y257 HydrophobicContact CG-CE2 4.41Å; P225-Y257 HydrophobicContact CG-CG 3.74Å; L252-Y257 HydrophobicContact CB-CD2 4.29Å; L252-Y257 HydrophobicContact CD2-CD2 4.01Å; L252-Y257 HydrophobicContact CD2-CE2 4.04Å; L252-Y257 WeakPolarHBondContact O-CD2 3.39Å; L255-Y257 HydrophobicContact CB-CD2 3.95Å; L255-Y257 HydrophobicContact CB-CE2 3.83Å; L255-Y257 HydrophobicContact CD1-CD2 4.46Å; L255-Y257 HydrophobicContact CD1-CE2 3.77Å; L255-Y257 HydrophobicContact CG-CE2 4.47Å
258S92.3Very high94.4Very high46 Ų4649.9 Ų49.932%0.32226%0.257SS..  trans-71.4159.2179.282.90000111.3G256 E260 D261 I262G256-S258 PolarHBondContact O-N 3.49Å; S258-E260 PolarHBondContact O-N 2.95Å; S258-E260 PolarHBondContact OG-N 3.24Å; S258-D261 VanDerWaalsContact CB-OD2 3.29Å; S258-D261 WeakPolarHBondContact CB-OD2 3.26Å; S258-D261 PolarHBondContact N-OD2 2.9Å; S258-D261 PolarHBondContact O-N 3.32Å; S258-D261 PolarHBondContact OG-N 2.9Å; S258-D261 VanDerWaalsContact OG-N 3.1Å; S258-D261 PolarHBondContact OG-OD2 3.22Å; S258-I262 WeakPolarHBondContact O-CG1 3.43Å; S258-I262 PolarHBondContact O-N 3.05Å; S258-I262 VanDerWaalsContact O-N 3.12Å
259A94.6Very high94.2Very high7 Ų749.7 Ų49.76%0.05826%0.257CS..Hα-helixtrans-62.4-30.2173.700000112.5W253 I263 I294 G299 L304W253-A259 HydrophobicContact CZ3-CB 4.18Å; A259-I263 WeakPolarHBondContact O-CB 3.37Å; A259-I263 VanDerWaalsContact O-CG2 3.26Å; A259-I263 WeakPolarHBondContact O-CG2 3.44Å; A259-I263 PolarHBondContact O-N 2.9Å; A259-I294 HydrophobicContact CB-CD1 4.11Å; A259-I294 HydrophobicContact CB-CG1 4.46Å; A259-I294 HydrophobicContact CB-CG2 4.3Å; A259-G299 WeakPolarHBondContact CB-O 3.24Å; A259-L304 HydrophobicContact CB-CD1 3.96Å; A259-L304 HydrophobicContact CB-CD2 4.43Å; A259-L304 HydrophobicContact CB-CG 4.31Å
260E93.1Very high94.1Very high119 Ų11949.6 Ų49.656%0.55626%0.257SS*.Hα-helixtrans-68.5-42.4178.2-170.7171.7179.300111.3S258 I263 T264S258-E260 PolarHBondContact O-N 2.95Å; S258-E260 PolarHBondContact OG-N 3.24Å; E260-I263 WeakPolarHBondContact O-CG2 3.39Å; E260-T264 WeakPolarHBondContact O-CB 3.29Å; E260-T264 PolarHBondContact O-N 2.64Å; E260-T264 PolarHBondContact O-OG1 3.12Å
261D91.6Very high93.7Very high56 Ų5649.3 Ų49.330%0.29926%0.26SS..Hα-helixtrans-66.3-49.2177-54-43.7000110.2P225 S258 I263 T264 I265P225-D261 HydrophobicContact CG-CB 4.31Å; S258-D261 VanDerWaalsContact CB-OD2 3.29Å; S258-D261 WeakPolarHBondContact CB-OD2 3.26Å; S258-D261 PolarHBondContact N-OD2 2.9Å; S258-D261 PolarHBondContact O-N 3.32Å; S258-D261 PolarHBondContact OG-N 2.9Å; S258-D261 VanDerWaalsContact OG-N 3.1Å; S258-D261 PolarHBondContact OG-OD2 3.22Å; D261-I263 VanDerWaalsContact C-N 3.34Å; D261-I263 PolarHBondContact O-N 3.4Å; D261-T264 PolarHBondContact O-N 2.93Å; D261-I265 WeakPolarHBondContact O-CG1 3.33Å; D261-I265 PolarHBondContact O-N 3.34Å
262I95.6Very high93.2Very high4 Ų450.6 Ų50.62%0.02127%0.269CS..Hα-helixtrans-58.6-46.4-179.6-64.9169.3000110.6P225 I230 L249 L252 W253 S258 T266 L304P225-I262 HydrophobicContact CG-CG1 4Å; I230-I262 HydrophobicContact CD1-CG2 4.3Å; L249-I262 HydrophobicContact CD1-CD1 4.29Å; L249-I262 HydrophobicContact CD1-CG2 4.18Å; L252-I262 HydrophobicContact CB-CD1 4.13Å; W253-I262 HydrophobicContact CE3-CD1 4.39Å; S258-I262 WeakPolarHBondContact O-CG1 3.43Å; S258-I262 PolarHBondContact O-N 3.05Å; S258-I262 VanDerWaalsContact O-N 3.12Å; I262-T266 VanDerWaalsContact O-CB 3.24Å; I262-T266 WeakPolarHBondContact O-CB 3.24Å; I262-T266 PolarHBondContact O-N 3.1Å; I262-T266 PolarHBondContact O-OG1 3.32Å; I262-L304 HydrophobicContact CB-CD1 4.4Å; I262-L304 HydrophobicContact CD1-CD1 4.01Å; I262-L304 HydrophobicContact CG2-CD1 4.33Å
263I95.8Very high93Very high1 Ų151.1 Ų51.11%0.00527%0.272CS..Hα-helixtrans-70.1-37.1-178.3-162.464.6000112A259 E260 D261 T266 F267 V287 T290 H291 I294 L307A259-I263 WeakPolarHBondContact O-CB 3.37Å; A259-I263 VanDerWaalsContact O-CG2 3.26Å; A259-I263 WeakPolarHBondContact O-CG2 3.44Å; A259-I263 PolarHBondContact O-N 2.9Å; E260-I263 WeakPolarHBondContact O-CG2 3.39Å; D261-I263 VanDerWaalsContact C-N 3.34Å; D261-I263 PolarHBondContact O-N 3.4Å; I263-T266 PolarHBondContact O-N 3.25Å; I263-F267 PolarHBondContact O-N 3.34Å; I263-V287 HydrophobicContact CD1-CB 4.32Å; I263-V287 HydrophobicContact CD1-CG1 3.75Å; I263-V287 HydrophobicContact CD1-CG2 4.34Å; I263-V287 HydrophobicContact CG1-CG1 4.08Å; I263-T290 HydrophobicContact CD1-CG2 4.28Å; I263-H291 HydrophobicContact CG1-CB 3.92Å; I263-H291 HydrophobicContact CG2-CB 4.37Å; I263-I294 HydrophobicContact CB-CD1 3.94Å; I263-I294 HydrophobicContact CG1-CD1 4.2Å; I263-I294 HydrophobicContact CG2-CD1 3.88Å; I263-L307 HydrophobicContact CD1-CD2 3.35Å
264T92.9Very high92.7Very high37 Ų3751.9 Ų51.923%0.22729%0.289CS..Hα-helixtrans-65.3-47.8178.8-63.50000110.9E260 D261 T266 F267 R268E260-T264 WeakPolarHBondContact O-CB 3.29Å; E260-T264 PolarHBondContact O-N 2.64Å; E260-T264 PolarHBondContact O-OG1 3.12Å; D261-T264 PolarHBondContact O-N 2.93Å; T264-T266 VanDerWaalsContact C-N 3.35Å; T264-T266 PolarHBondContact O-N 3.01Å; T264-F267 PolarHBondContact O-N 3.43Å; T264-R268 WeakPolarHBondContact O-CG 3.42Å; T264-R268 PolarHBondContact O-N 3.49Å
265I93.3Very high92.5Very high1 Ų148.4 Ų48.41%0.00527%0.265CS..Hα-helixtrans-67.1-38176.4-56.3-48.5000111F190 E224 I230 D261 F267 R268 V269F190-I265 HydrophobicContact CE1-CD1 4.27Å; F190-I265 HydrophobicContact CE1-CG2 4.27Å; F190-I265 HydrophobicContact CZ-CG2 4.34Å; E224-I265 VanDerWaalsContact OE2-CD1 3.28Å; E224-I265 WeakPolarHBondContact OE2-CD1 3.43Å; I230-I265 HydrophobicContact CB-CG2 4.4Å; I230-I265 HydrophobicContact CG1-CB 4.47Å; I230-I265 HydrophobicContact CG1-CG2 3.91Å; I230-I265 HydrophobicContact CG2-CG2 4.46Å; D261-I265 WeakPolarHBondContact O-CG1 3.33Å; D261-I265 PolarHBondContact O-N 3.34Å; I265-F267 VanDerWaalsContact C-N 3.33Å; I265-F267 PolarHBondContact O-N 2.78Å; I265-R268 PolarHBondContact O-N 2.96Å; I265-V269 HydrophobicContact CG2-CG2 4.03Å; I265-V269 VanDerWaalsContact O-CG2 3.31Å; I265-V269 WeakPolarHBondContact O-CG2 3.36Å; I265-V269 PolarHBondContact O-N 2.98Å
266T96.1Very high92.4Very high4 Ų450.5 Ų50.53%0.02527%0.272CS..Hα-helixtrans-56.2-47.4173.5-60.80000111.6I262 I263 T264 V269 I270 V287I262-T266 VanDerWaalsContact O-CB 3.24Å; I262-T266 WeakPolarHBondContact O-CB 3.24Å; I262-T266 PolarHBondContact O-N 3.1Å; I262-T266 PolarHBondContact O-OG1 3.32Å; I263-T266 PolarHBondContact O-N 3.25Å; T264-T266 VanDerWaalsContact C-N 3.35Å; T264-T266 PolarHBondContact O-N 3.01Å; T266-V269 PolarHBondContact O-N 3.17Å; T266-I270 HydrophobicContact CG2-CD1 3.67Å; T266-I270 HydrophobicContact CG2-CG1 4.43Å; T266-I270 WeakPolarHBondContact O-CD1 3.33Å; T266-I270 VanDerWaalsContact O-CG1 3.24Å; T266-I270 WeakPolarHBondContact O-CG1 3.36Å; T266-I270 PolarHBondContact O-N 3.06Å; T266-V287 HydrophobicContact CG2-CG2 4.01Å
267F95.1Very high92.4Very high84 Ų8454.6 Ų54.637%0.36828%0.275SS..Hα-helixtrans-59.8-47.3176176.5-103.1000112.4I263 T264 I265 V269 I270 K271 I284 V287I263-F267 PolarHBondContact O-N 3.34Å; T264-F267 PolarHBondContact O-N 3.43Å; I265-F267 VanDerWaalsContact C-N 3.33Å; I265-F267 PolarHBondContact O-N 2.78Å; F267-V269 PolarHBondContact O-N 3.31Å; F267-I270 PolarHBondContact O-N 3.44Å; F267-K271 PolarHBondContact O-N 3.49Å; F267-I284 HydrophobicContact CE2-CG2 4.04Å; F267-V287 HydrophobicContact CB-CG1 3.81Å; F267-V287 HydrophobicContact CD2-CG1 4.21Å; F267-V287 HydrophobicContact CG-CG1 4.5Å
268R91.1Very high92.3Very high37 Ų3760.5 Ų60.514%0.1430%0.298CS..Hα-helixtrans-60.3-44.9178.8-71.2179.7180159.4-0.8111.8F190 D193 E224 T264 I265 K271F190-R268 HydrophobicContact CE2-CB 4.03Å; F190-R268 HydrophobicContact CZ-CB 3.78Å; D193-R268 IonicContact OD2-CZ 3.22Å; D193-R268 IonicContact OD2-NE 3.05Å; D193-R268 PolarHBondContact OD2-NE 2.87Å; D193-R268 IonicContact OD2-NH2 3.81Å; D193-R268 PolarHBondContact OD2-NH2 3.36Å; D193-R268 VanDerWaalsContact OD2-NH2 3.16Å; E224-R268 IonicContact OE1-NH1 3.04Å; E224-R268 IonicContact OE2-NH1 2.69Å; T264-R268 WeakPolarHBondContact O-CG 3.42Å; T264-R268 PolarHBondContact O-N 3.49Å; I265-R268 PolarHBondContact O-N 2.96Å; R268-K271 PolarHBondContact O-N 3.37Å
269V93.6Very high92.3Very high15 Ų1559.7 Ų59.79%0.09129%0.29CS..Hα-helixtrans-66.8-44.7-179.8176.80000110.9F190 P227 I230 K231 I234 I265 T266 F267 K271 N272 H273F190-V269 HydrophobicContact CZ-CG2 4.12Å; P227-V269 HydrophobicContact CB-CG2 4.04Å; I230-V269 HydrophobicContact CB-CG2 4.21Å; I230-V269 HydrophobicContact CG2-CB 3.86Å; I230-V269 HydrophobicContact CG2-CG1 4.26Å; I230-V269 HydrophobicContact CG2-CG2 3.81Å; K231-V269 HydrophobicContact CB-CG1 4.08Å; I234-V269 HydrophobicContact CD1-CB 3.86Å; I234-V269 HydrophobicContact CD1-CG1 3.53Å; I265-V269 HydrophobicContact CG2-CG2 4.03Å; I265-V269 VanDerWaalsContact O-CG2 3.31Å; I265-V269 WeakPolarHBondContact O-CG2 3.36Å; I265-V269 PolarHBondContact O-N 2.98Å; T266-V269 PolarHBondContact O-N 3.17Å; F267-V269 PolarHBondContact O-N 3.31Å; V269-K271 VanDerWaalsContact C-N 3.28Å; V269-K271 PolarHBondContact O-N 3.45Å; V269-N272 CarbonylContact O-C 3.58Å; V269-N272 PolarHBondContact O-N 3.18Å; V269-H273 VanDerWaalsContact O-CB 3.29Å; V269-H273 WeakPolarHBondContact O-CB 3.42Å; V269-H273 PolarHBondContact O-N 3.31Å
270I94.9Very high92.3Very high0 Ų061.7 Ų61.70%030%0.297CS..Hα-helixtrans-57.9-40.6178.8-70.6162.9000111.7I234 T266 F267 N272 H273 K280 F283 I284 V287I234-I270 HydrophobicContact CD1-CD1 4.36Å; I234-I270 HydrophobicContact CD1-CG1 3.51Å; I234-I270 HydrophobicContact CG1-CD1 4.47Å; I234-I270 HydrophobicContact CG1-CG1 3.94Å; I234-I270 HydrophobicContact CG2-CG1 4.37Å; T266-I270 HydrophobicContact CG2-CD1 3.67Å; T266-I270 HydrophobicContact CG2-CG1 4.43Å; T266-I270 WeakPolarHBondContact O-CD1 3.33Å; T266-I270 VanDerWaalsContact O-CG1 3.24Å; T266-I270 WeakPolarHBondContact O-CG1 3.36Å; T266-I270 PolarHBondContact O-N 3.06Å; F267-I270 PolarHBondContact O-N 3.44Å; I270-N272 PolarHBondContact O-N 2.58Å; I270-H273 PolarHBondContact O-N 3.32Å; I270-K280 HydrophobicContact CG2-CG 4.13Å; I270-K280 WeakPolarHBondContact O-CE 3.27Å; I270-F283 HydrophobicContact CD1-CB 4.19Å; I270-F283 HydrophobicContact CD1-CD1 4.44Å; I270-F283 HydrophobicContact CG2-CB 4.13Å; I270-I284 HydrophobicContact CG2-CD1 4.35Å; I270-I284 HydrophobicContact CG2-CG1 3.72Å; I270-V287 HydrophobicContact CD1-CG2 3.61Å
271K90Very high92.3Very high135 Ų13561 Ų6159%0.58730%0.296SS*.Hα-helixtrans-55.1-43.6-179.6-169.7179.6175-174.70111.5F267 R268 V269 K280F267-K271 PolarHBondContact O-N 3.49Å; R268-K271 PolarHBondContact O-N 3.37Å; V269-K271 VanDerWaalsContact C-N 3.28Å; V269-K271 PolarHBondContact O-N 3.45Å; K271-K280 PolarHBondContact O-NZ 3.49Å
272N86.6Confident92.5Very high122 Ų12259.1 Ų59.165%0.65229%0.29SS*.Hα-helixtrans-95.2-5.1-177.8-61.5-24.4000113.7V269 I270V269-N272 CarbonylContact O-C 3.58Å; V269-N272 PolarHBondContact O-N 3.18Å; I270-N272 PolarHBondContact O-N 2.58Å
273H89.6Confident92.6Very high11 Ų1158.9 Ų58.95%0.05129%0.289CS..SBendtrans-72.4135.4-177.8-167.977.2000111.5D235 V269 I270 M275 K280D235-H273 IonicContact OD1-CE1 3.5Å; D235-H273 PolarHBondContact OD1-CE1 3.17Å; D235-H273 IonicContact OD1-NE2 3.03Å; D235-H273 PolarHBondContact OD1-NE2 3.25Å; V269-H273 VanDerWaalsContact O-CB 3.29Å; V269-H273 WeakPolarHBondContact O-CB 3.42Å; V269-H273 PolarHBondContact O-N 3.31Å; I270-H273 PolarHBondContact O-N 3.32Å; H273-M275 PolarHBondContact O-N 2.89Å; H273-K280 WeakPolarHBondContact O-CE 3.45Å; H273-K280 PolarHBondContact O-NZ 3.18Å
274P89.1Confident92.6Very high106 Ų10661.2 Ų61.269%0.68830%0.301SS*.  trans-76103.5176.130-32.9000110.4
275M89.9Confident92.8Very high36 Ų3666 Ų6618%0.17732%0.319CS..  trans-151.8164.8174.269.5-162.8-60.100110.3H273 E277 L279 K280 F283H273-M275 PolarHBondContact O-N 2.89Å; M275-E277 PolarHBondContact O-N 3.35Å; M275-L279 HydrophobicContact CE-CB 3.66Å; M275-K280 HydrophobicContact CG-CB 3.69Å; M275-K280 HydrophobicContact CG-CG 4.37Å; M275-K280 HydrophobicContact SD-CB 3.97Å; M275-K280 HydrophobicContact SD-CG 4.37Å; M275-F283 HydrophobicContact CE-CD1 3.71Å; M275-F283 HydrophobicContact CE-CD2 4.17Å; M275-F283 HydrophobicContact CE-CE1 3.8Å; M275-F283 HydrophobicContact CE-CE2 4.25Å; M275-F283 HydrophobicContact CE-CG 3.9Å; M275-F283 HydrophobicContact CE-CZ 4.08Å; M275-F283 HydrophobicContact SD-CD1 4.46Å
276E90.5Very high93Very high138 Ų13867.6 Ų67.665%0.64533%0.326SS*.  trans-55.8138.5175.8-62.7-173.816900111.3Y278 L279 K280E276-Y278 VanDerWaalsContact C-N 3.28Å; E276-Y278 PolarHBondContact O-N 3Å; E276-L279 HydrophobicContact CB-CB 4.41Å; E276-L279 HydrophobicContact CB-CD1 4.21Å; E276-L279 HydrophobicContact CB-CG 4.26Å; E276-L279 PolarHBondContact O-N 3.1Å; E276-K280 PolarHBondContact O-N 3.35Å
277E91.3Very high93Very high150 Ų15067.5 Ų67.570%0.70133%0.326SS*.Hα-helixtrans-58.2-40.5-174.4-172.4175.9-176.700112.3M275 L279 K280 L281M275-E277 PolarHBondContact O-N 3.35Å; E277-L279 PolarHBondContact O-N 2.98Å; E277-K280 PolarHBondContact O-N 2.86Å; E277-L281 HydrophobicContact CG-CD1 4.17Å; E277-L281 HydrophobicContact CG-CG 4.42Å; E277-L281 WeakPolarHBondContact O-CB 3.43Å; E277-L281 VanDerWaalsContact O-CG 3.28Å; E277-L281 WeakPolarHBondContact O-CG 3.46Å; E277-L281 PolarHBondContact O-N 3.35Å
278Y90.9Very high93.1Very high162 Ų16265.2 Ų65.264%0.63533%0.326SS*.Hα-helixtrans-59.3-46175171.3-98.6000112.3E276 L281 G282E276-Y278 VanDerWaalsContact C-N 3.28Å; E276-Y278 PolarHBondContact O-N 3Å; Y278-L281 PolarHBondContact O-N 3.24Å; Y278-G282 PolarHBondContact O-N 3.2Å
279L91.9Very high93.4Very high29 Ų2966.8 Ų66.815%0.15234%0.336CS..Hα-helixtrans-65.6-43177.1-67177.3000110.9M275 E276 E277 L281 G282 F283 I314 V315M275-L279 HydrophobicContact CE-CB 3.66Å; E276-L279 HydrophobicContact CB-CB 4.41Å; E276-L279 HydrophobicContact CB-CD1 4.21Å; E276-L279 HydrophobicContact CB-CG 4.26Å; E276-L279 PolarHBondContact O-N 3.1Å; E277-L279 PolarHBondContact O-N 2.98Å; L279-L281 PolarHBondContact O-N 2.78Å; L279-G282 PolarHBondContact O-N 3.03Å; L279-F283 WeakPolarHBondContact O-CB 3.29Å; L279-F283 WeakPolarHBondContact O-CD2 3.25Å; L279-F283 PolarHBondContact O-N 3.25Å; L279-I314 HydrophobicContact CD2-CG2 3.93Å; L279-V315 HydrophobicContact CD2-CG2 4.3Å
280K94.8Very high93.6Very high49 Ų4966 Ų6621%0.21333%0.332CS..Hα-helixtrans-58.1-47.8177-173.8174.1-68.6-166.20111.6I270 K271 H273 M275 E276 E277 F283 I284I270-K280 HydrophobicContact CG2-CG 4.13Å; I270-K280 WeakPolarHBondContact O-CE 3.27Å; K271-K280 PolarHBondContact O-NZ 3.49Å; H273-K280 WeakPolarHBondContact O-CE 3.45Å; H273-K280 PolarHBondContact O-NZ 3.18Å; M275-K280 HydrophobicContact CG-CB 3.69Å; M275-K280 HydrophobicContact CG-CG 4.37Å; M275-K280 HydrophobicContact SD-CB 3.97Å; M275-K280 HydrophobicContact SD-CG 4.37Å; E276-K280 PolarHBondContact O-N 3.35Å; E277-K280 PolarHBondContact O-N 2.86Å; K280-F283 PolarHBondContact O-N 3.18Å; K280-I284 HydrophobicContact CG-CD1 3.89Å; K280-I284 WeakPolarHBondContact O-CB 3.48Å; K280-I284 VanDerWaalsContact O-CG1 3.29Å; K280-I284 WeakPolarHBondContact O-CG1 3.2Å; K280-I284 PolarHBondContact O-N 3.37Å
281L94.3Very high93.7Very high103 Ų10369.4 Ų69.454%0.53935%0.348SS..Hα-helixtrans-63.8-41.4177.5-70.1174.2000111.7E277 Y278 L279 F283 I284 K285E277-L281 HydrophobicContact CG-CD1 4.17Å; E277-L281 HydrophobicContact CG-CG 4.42Å; E277-L281 WeakPolarHBondContact O-CB 3.43Å; E277-L281 VanDerWaalsContact O-CG 3.28Å; E277-L281 WeakPolarHBondContact O-CG 3.46Å; E277-L281 PolarHBondContact O-N 3.35Å; Y278-L281 PolarHBondContact O-N 3.24Å; L279-L281 PolarHBondContact O-N 2.78Å; L281-F283 PolarHBondContact O-N 3.26Å; L281-I284 PolarHBondContact O-N 2.81Å; L281-K285 WeakPolarHBondContact O-CB 3.45Å; L281-K285 PolarHBondContact O-N 3.45Å
282G95Very high94Very high17 Ų1767.3 Ų67.318%0.17534%0.342CS..Hα-helixtrans-59.7-44.617400000112.4Y278 L279 K285 E286 I314Y278-G282 PolarHBondContact O-N 3.2Å; L279-G282 PolarHBondContact O-N 3.03Å; G282-K285 PolarHBondContact O-N 3.09Å; G282-E286 PolarHBondContact O-N 3.25Å; G282-E286 VanDerWaalsContact O-N 3.17Å; G282-I314 WeakPolarHBondContact O-CD1 3.36Å
283F96.9Very high94.4Very high0 Ų065.9 Ų65.90%033%0.328CS..Hα-helixtrans-66.5-46.9179.1-83.2-141.9000111.4I234 C237 I270 M275 L279 K280 L281 K285 E286 V287 L311 I314 V315I234-F283 HydrophobicContact CG2-CD1 4.28Å; I234-F283 HydrophobicContact CG2-CE1 4.14Å; C237-F283 HydrophobicContact CB-CE1 4.05Å; C237-F283 HydrophobicContact CB-CZ 4.16Å; I270-F283 HydrophobicContact CD1-CB 4.19Å; I270-F283 HydrophobicContact CD1-CD1 4.44Å; I270-F283 HydrophobicContact CG2-CB 4.13Å; M275-F283 HydrophobicContact CE-CD1 3.71Å; M275-F283 HydrophobicContact CE-CD2 4.17Å; M275-F283 HydrophobicContact CE-CE1 3.8Å; M275-F283 HydrophobicContact CE-CE2 4.25Å; M275-F283 HydrophobicContact CE-CG 3.9Å; M275-F283 HydrophobicContact CE-CZ 4.08Å; M275-F283 HydrophobicContact SD-CD1 4.46Å; L279-F283 WeakPolarHBondContact O-CB 3.29Å; L279-F283 WeakPolarHBondContact O-CD2 3.25Å; L279-F283 PolarHBondContact O-N 3.25Å; K280-F283 PolarHBondContact O-N 3.18Å; L281-F283 PolarHBondContact O-N 3.26Å; F283-K285 VanDerWaalsContact C-N 3.28Å; F283-K285 PolarHBondContact O-N 3.39Å; F283-E286 PolarHBondContact O-N 3.41Å; F283-V287 WeakPolarHBondContact O-CB 3.39Å; F283-V287 WeakPolarHBondContact O-CG2 3.08Å; F283-V287 PolarHBondContact O-N 3.24Å; F283-L311 HydrophobicContact CB-CD2 3.96Å; F283-L311 HydrophobicContact CD1-CD1 4.33Å; F283-L311 HydrophobicContact CD1-CD2 3.99Å; F283-L311 HydrophobicContact CD2-CD2 3.88Å; F283-L311 HydrophobicContact CE1-CB 4.28Å; F283-L311 HydrophobicContact CE1-CD1 4.44Å; F283-L311 HydrophobicContact CE1-CD2 4.45Å; F283-L311 HydrophobicContact CE2-CB 4.26Å; F283-L311 HydrophobicContact CE2-CD2 4.35Å; F283-L311 WeakPolarHBondContact CE2-O 3.47Å; F283-L311 HydrophobicContact CG-CD2 3.68Å; F283-L311 HydrophobicContact CZ-CB 4.08Å; F283-I314 HydrophobicContact CD2-CD1 4.15Å; F283-I314 HydrophobicContact CD2-CG2 4.42Å; F283-I314 HydrophobicContact CE2-CB 4.28Å; F283-I314 HydrophobicContact CE2-CG2 4.31Å; F283-V315 HydrophobicContact CE2-CG2 4.07Å; F283-V315 HydrophobicContact CZ-CG2 4.09Å
284I96.5Very high94.8Very high50 Ų5066.1 Ų66.126%0.25633%0.33SS..Hα-helixtrans-57.4-42.3176.3-73.7169.5000111F267 I270 K280 L281 V287 G288F267-I284 HydrophobicContact CE2-CG2 4.04Å; I270-I284 HydrophobicContact CG2-CD1 4.35Å; I270-I284 HydrophobicContact CG2-CG1 3.72Å; K280-I284 HydrophobicContact CG-CD1 3.89Å; K280-I284 WeakPolarHBondContact O-CB 3.48Å; K280-I284 VanDerWaalsContact O-CG1 3.29Å; K280-I284 WeakPolarHBondContact O-CG1 3.2Å; K280-I284 PolarHBondContact O-N 3.37Å; L281-I284 PolarHBondContact O-N 2.81Å; I284-V287 PolarHBondContact O-N 3Å; I284-G288 PolarHBondContact O-N 3.27Å
285K96.9Very high94.9Very high138 Ų13865.2 Ų65.260%0.633%0.326SS*.Hα-helixtrans-59.6-51177.2-179.8-175.2175.6-176.10111.7L281 G282 F283 G288 L289L281-K285 WeakPolarHBondContact O-CB 3.45Å; L281-K285 PolarHBondContact O-N 3.45Å; G282-K285 PolarHBondContact O-N 3.09Å; F283-K285 VanDerWaalsContact C-N 3.28Å; F283-K285 PolarHBondContact O-N 3.39Å; K285-G288 PolarHBondContact O-N 3.25Å; K285-L289 HydrophobicContact CG-CD1 4.34Å; K285-L289 WeakPolarHBondContact O-CG 3.48Å; K285-L289 PolarHBondContact O-N 3.37Å
286E97.5Very high95.1Very high34 Ų3470 Ų7016%0.15935%0.347CS..Hα-helixtrans-67.1-37.5-178.8-72.3-57.314300112.6G282 F283 T290 L307 R310 L311 I314G282-E286 PolarHBondContact O-N 3.25Å; G282-E286 VanDerWaalsContact O-N 3.17Å; F283-E286 PolarHBondContact O-N 3.41Å; E286-T290 WeakPolarHBondContact O-CB 3.37Å; E286-T290 PolarHBondContact O-N 2.82Å; E286-T290 PolarHBondContact O-OG1 3.15Å; E286-L307 HydrophobicContact CB-CD1 3.96Å; E286-R310 HydrophobicContact CG-CB 4.2Å; E286-R310 WeakPolarHBondContact OE2-CD 3.38Å; E286-R310 IonicContact OE2-NE 2.89Å; E286-R310 PolarHBondContact OE2-NE 3.01Å; E286-L311 HydrophobicContact CB-CD2 3.9Å; E286-I314 HydrophobicContact CG-CD1 3.64Å
287V97.6Very high95.1Very high1 Ų166.3 Ų66.31%0.00635%0.347CS..Hα-helixtrans-62.7-46.3172.9166.20000110.6I263 T266 F267 I270 F283 I284 L289 T290 H291 L307I263-V287 HydrophobicContact CD1-CB 4.32Å; I263-V287 HydrophobicContact CD1-CG1 3.75Å; I263-V287 HydrophobicContact CD1-CG2 4.34Å; I263-V287 HydrophobicContact CG1-CG1 4.08Å; T266-V287 HydrophobicContact CG2-CG2 4.01Å; F267-V287 HydrophobicContact CB-CG1 3.81Å; F267-V287 HydrophobicContact CD2-CG1 4.21Å; F267-V287 HydrophobicContact CG-CG1 4.5Å; I270-V287 HydrophobicContact CD1-CG2 3.61Å; F283-V287 WeakPolarHBondContact O-CB 3.39Å; F283-V287 WeakPolarHBondContact O-CG2 3.08Å; F283-V287 PolarHBondContact O-N 3.24Å; I284-V287 PolarHBondContact O-N 3Å; V287-L289 PolarHBondContact O-N 2.93Å; V287-T290 PolarHBondContact O-N 3.31Å; V287-H291 WeakPolarHBondContact O-CB 3.49Å; V287-H291 PolarHBondContact O-N 2.89Å; V287-L307 HydrophobicContact CG2-CD1 4.02Å; V287-L307 HydrophobicContact CG2-CD2 4.19Å
288G96.9Very high95.2Very high36 Ų3663.7 Ų63.737%0.37134%0.337SS..Hα-helixtrans-60.9-45.1177.500000113.2I284 K285 T290 H291 L292I284-G288 PolarHBondContact O-N 3.27Å; K285-G288 PolarHBondContact O-N 3.25Å; G288-T290 VanDerWaalsContact C-N 3.29Å; G288-T290 PolarHBondContact O-N 3.02Å; G288-H291 PolarHBondContact O-N 3.12Å; G288-L292 PolarHBondContact O-N 3.46Å
289L97Very high95.3Very high70 Ų7057.3 Ų57.337%0.36632%0.321SS..Hα-helixtrans-63.6-35.8175.1-70.1174.5000112.4K285 V287 R293K285-L289 HydrophobicContact CG-CD1 4.34Å; K285-L289 WeakPolarHBondContact O-CG 3.48Å; K285-L289 PolarHBondContact O-N 3.37Å; V287-L289 PolarHBondContact O-N 2.93Å; L289-R293 WeakPolarHBondContact O-CG 3.42Å; L289-R293 PolarHBondContact O-N 3.32Å
290T97.5Very high95.5Very high0 Ų059.5 Ų59.50%034%0.335CS..Hα-helixtrans-70.6-42.6176.6-52.90000110.7I263 E286 V287 G288 L292 R293 I294 Q303 L307 R310I263-T290 HydrophobicContact CD1-CG2 4.28Å; E286-T290 WeakPolarHBondContact O-CB 3.37Å; E286-T290 PolarHBondContact O-N 2.82Å; E286-T290 PolarHBondContact O-OG1 3.15Å; V287-T290 PolarHBondContact O-N 3.31Å; G288-T290 VanDerWaalsContact C-N 3.29Å; G288-T290 PolarHBondContact O-N 3.02Å; T290-L292 PolarHBondContact O-N 2.89Å; T290-R293 PolarHBondContact O-N 3.26Å; T290-I294 HydrophobicContact CG2-CD1 4.06Å; T290-I294 VanDerWaalsContact O-CG1 3.32Å; T290-I294 WeakPolarHBondContact O-CG1 3.4Å; T290-I294 PolarHBondContact O-N 3.07Å; T290-Q303 HydrophobicContact CG2-CG 3.86Å; T290-L307 HydrophobicContact CG2-CB 4Å; T290-L307 HydrophobicContact CG2-CD2 4.18Å; T290-R310 PolarHBondContact OG1-NH2 3.39Å
291H96.9Very high95.5Very high70 Ų7059.6 Ų59.632%0.32434%0.335SS..Hα-helixtrans-61-43.2177.4-170.8-165.7000111.5I263 V287 G288 R293 I294 S295I263-H291 HydrophobicContact CG1-CB 3.92Å; I263-H291 HydrophobicContact CG2-CB 4.37Å; V287-H291 WeakPolarHBondContact O-CB 3.49Å; V287-H291 PolarHBondContact O-N 2.89Å; G288-H291 PolarHBondContact O-N 3.12Å; H291-R293 PolarHBondContact O-N 3.04Å; H291-I294 PolarHBondContact O-N 3.33Å; H291-S295 PolarHBondContact O-N 3.31Å
292L96Very high95.6Very high91 Ų9161.2 Ų61.248%0.47634%0.343SS..Hα-helixtrans-55.5-50.4173.5178.263.4000111.4G288 T290 I294 S295 E296G288-L292 PolarHBondContact O-N 3.46Å; T290-L292 PolarHBondContact O-N 2.89Å; L292-I294 VanDerWaalsContact C-N 3.3Å; L292-I294 PolarHBondContact O-N 3.4Å; L292-S295 PolarHBondContact O-N 3.29Å; L292-S295 VanDerWaalsContact O-N 3.11Å; L292-S295 PolarHBondContact O-OG 3.37Å; L292-E296 WeakPolarHBondContact O-CG 3.31Å; L292-E296 PolarHBondContact O-N 2.95Å
293R96.3Very high95.7Very high92 Ų9261.8 Ų61.835%0.34734%0.341SS..Hα-helixtrans-63-36.1178.7-68.6169.8-176.11601.3112.6L289 T290 H291 E296 G297 L298L289-R293 WeakPolarHBondContact O-CG 3.42Å; L289-R293 PolarHBondContact O-N 3.32Å; T290-R293 PolarHBondContact O-N 3.26Å; H291-R293 PolarHBondContact O-N 3.04Å; R293-E296 PolarHBondContact O-N 3.43Å; R293-G297 PolarHBondContact O-N 2.98Å; R293-L298 HydrophobicContact CB-CB 4.39Å; R293-L298 HydrophobicContact CB-CD1 4.34Å; R293-L298 WeakPolarHBondContact O-CA 3.37Å; R293-L298 VanDerWaalsContact O-CB 3.29Å; R293-L298 WeakPolarHBondContact O-CB 3.25Å; R293-L298 PolarHBondContact O-N 2.93Å
294I96.3Very high95.7Very high17 Ų1761.9 Ų61.99%0.08734%0.342CS..Hα-helixtrans-63.7-44.2174-67.8167.4000109.9A259 I263 T290 H291 L292 E296 G297 Q303 L304A259-I294 HydrophobicContact CB-CD1 4.11Å; A259-I294 HydrophobicContact CB-CG1 4.46Å; A259-I294 HydrophobicContact CB-CG2 4.3Å; I263-I294 HydrophobicContact CB-CD1 3.94Å; I263-I294 HydrophobicContact CG1-CD1 4.2Å; I263-I294 HydrophobicContact CG2-CD1 3.88Å; T290-I294 HydrophobicContact CG2-CD1 4.06Å; T290-I294 VanDerWaalsContact O-CG1 3.32Å; T290-I294 WeakPolarHBondContact O-CG1 3.4Å; T290-I294 PolarHBondContact O-N 3.07Å; H291-I294 PolarHBondContact O-N 3.33Å; L292-I294 VanDerWaalsContact C-N 3.3Å; L292-I294 PolarHBondContact O-N 3.4Å; I294-E296 PolarHBondContact O-N 3.16Å; I294-G297 WeakPolarHBondContact O-CA 3.4Å; I294-G297 PolarHBondContact O-N 3.45Å; I294-Q303 HydrophobicContact CG1-CG 4.32Å; I294-L304 HydrophobicContact CD1-CD2 3.95Å
295S91.8Very high95.7Very high87 Ų8760.3 Ų60.361%0.60834%0.336SS*.Hα-helixtrans-64.8-25.6176.974.60000113.5H291 L292 G297H291-S295 PolarHBondContact O-N 3.31Å; L292-S295 PolarHBondContact O-N 3.29Å; L292-S295 VanDerWaalsContact O-N 3.11Å; L292-S295 PolarHBondContact O-OG 3.37Å; S295-G297 PolarHBondContact O-N 3.18Å
296E93.9Very high95.7Very high135 Ų13554.7 Ų54.763%0.63132%0.318SS*.THydrogen-bonded Turntrans-81.12171.3-67.2172.915900113.1L292 R293 I294L292-E296 WeakPolarHBondContact O-CG 3.31Å; L292-E296 PolarHBondContact O-N 2.95Å; R293-E296 PolarHBondContact O-N 3.43Å; I294-E296 PolarHBondContact O-N 3.16Å
297G91.8Very high95.7Very high62 Ų6253.3 Ų53.364%0.63931%0.312SS*.THydrogen-bonded Turntrans102.90.7175.800000115.5R293 I294 S295 G299R293-G297 PolarHBondContact O-N 2.98Å; I294-G297 WeakPolarHBondContact O-CA 3.4Å; I294-G297 PolarHBondContact O-N 3.45Å; S295-G297 PolarHBondContact O-N 3.18Å; G297-G299 PolarHBondContact O-N 3.22Å; G297-G299 VanDerWaalsContact O-N 3.12Å
298L93.6Very high95.7Very high94 Ų9453.5 Ų53.549%0.49231%0.312SS..  trans-88.248.5179.4-59.4173.8000112.8R293 T300 Q303R293-L298 HydrophobicContact CB-CB 4.39Å; R293-L298 HydrophobicContact CB-CD1 4.34Å; R293-L298 WeakPolarHBondContact O-CA 3.37Å; R293-L298 VanDerWaalsContact O-CB 3.29Å; R293-L298 WeakPolarHBondContact O-CB 3.25Å; R293-L298 PolarHBondContact O-N 2.93Å; L298-T300 PolarHBondContact O-N 2.87Å; L298-Q303 WeakPolarHBondContact O-CB 3.49Å; L298-Q303 WeakPolarHBondContact O-CG 3.35Å
299G92.2Very high95.7Very high28 Ų2853.8 Ų53.829%0.28931%0.311SS..  trans-76.133.1-17900000116.1W253 A259 G297W253-G299 WeakPolarHBondContact CH2-O 3.41Å; A259-G299 WeakPolarHBondContact CB-O 3.24Å; G297-G299 PolarHBondContact O-N 3.22Å; G297-G299 VanDerWaalsContact O-N 3.12Å
300T95.1Very high95.7Very high75 Ų7553.4 Ų53.446%0.4631%0.305SS..  trans-84.5155.4-172.865.60000113.4L298 L302 Q303 L304L298-T300 PolarHBondContact O-N 2.87Å; T300-L302 PolarHBondContact O-N 3.22Å; T300-Q303 VanDerWaalsContact O-CB 3.25Å; T300-Q303 WeakPolarHBondContact O-CB 3.45Å; T300-Q303 PolarHBondContact O-N 3.11Å; T300-Q303 PolarHBondContact OG1-N 2.91Å; T300-L304 PolarHBondContact O-N 2.71Å
301Y96Very high95.6Very high52 Ų5253.4 Ų53.420%0.20431%0.305CS..Hα-helixtrans-53.5-40.1171.1-179.6-104.4000112.8H246 L249 R250 W253 Q303 L304 A305H246-Y301 PolarHBondContact CD2-OH 3.11Å; H246-Y301 AromaticContact CE1-CE1 3.53Å; H246-Y301 AromaticContact CE1-CZ 3.51Å; H246-Y301 PolarHBondContact CE1-OH 2.83Å; H246-Y301 AromaticContact NE2-CE1 3.82Å; H246-Y301 AromaticContact NE2-CZ 3.68Å; H246-Y301 PolarHBondContact NE2-OH 3.44Å; L249-Y301 HydrophobicContact CD2-CE2 4.27Å; L249-Y301 HydrophobicContact CG-CE2 3.99Å; R250-Y301 WeakPolarHBondContact CB-OH 3.5Å; W253-Y301 HydrophobicContact CB-CD2 3.79Å; W253-Y301 HydrophobicContact CB-CE2 3.88Å; W253-Y301 AromaticContact CD1-CD2 3.92Å; W253-Y301 AromaticContact CD2-CD2 3.59Å; W253-Y301 HydrophobicContact CD2-CD2 3.59Å; W253-Y301 HydrophobicContact CD2-CG 4.25Å; W253-Y301 HydrophobicContact CE3-CD2 4.02Å; W253-Y301 AromaticContact CG-CD2 3.46Å; W253-Y301 HydrophobicContact CG-CD2 3.46Å; W253-Y301 VanDerWaalsContact CG-CD2 3.46Å; W253-Y301 HydrophobicContact CG-CE2 4.02Å; W253-Y301 HydrophobicContact CG-CG 4.35Å; Y301-Q303 VanDerWaalsContact C-N 3.25Å; Y301-Q303 PolarHBondContact O-N 3.35Å; Y301-L304 PolarHBondContact O-N 3.15Å; Y301-A305 WeakPolarHBondContact O-CB 3.43Å; Y301-A305 PolarHBondContact O-N 3.33Å
302L96.1Very high95.5Very high137 Ų13750.3 Ų50.372%0.71729%0.291SS*.Hα-helixtrans-61.2-36178-179.361.6000111.7T300 A305 G306T300-L302 PolarHBondContact O-N 3.22Å; L302-A305 PolarHBondContact O-N 3.47Å; L302-G306 PolarHBondContact O-N 3.05Å
303Q96.6Very high95.5Very high28 Ų2853.6 Ų53.613%0.13130%0.301CS..Hα-helixtrans-63.7-44.4177.6-179.668.5-11.600111.9T290 I294 L298 T300 Y301 G306 L307T290-Q303 HydrophobicContact CG2-CG 3.86Å; I294-Q303 HydrophobicContact CG1-CG 4.32Å; L298-Q303 WeakPolarHBondContact O-CB 3.49Å; L298-Q303 WeakPolarHBondContact O-CG 3.35Å; T300-Q303 VanDerWaalsContact O-CB 3.25Å; T300-Q303 WeakPolarHBondContact O-CB 3.45Å; T300-Q303 PolarHBondContact O-N 3.11Å; T300-Q303 PolarHBondContact OG1-N 2.91Å; Y301-Q303 VanDerWaalsContact C-N 3.25Å; Y301-Q303 PolarHBondContact O-N 3.35Å; Q303-G306 PolarHBondContact O-N 3.29Å; Q303-L307 PolarHBondContact O-N 2.87Å
304L97.2Very high95.3Very high2 Ų251.1 Ų51.11%0.0130%0.295CS..Hα-helixtrans-68.5-42176.2-63.7176000111.6L249 W253 A259 I262 I294 T300 Y301 G306 L307 L308L249-L304 HydrophobicContact CD1-CB 3.89Å; L249-L304 HydrophobicContact CD1-CD1 3.87Å; L249-L304 HydrophobicContact CD1-CG 4.5Å; L249-L304 HydrophobicContact CD2-CB 3.69Å; L249-L304 HydrophobicContact CG-CB 4.4Å; W253-L304 HydrophobicContact CE3-CD1 3.93Å; W253-L304 HydrophobicContact CZ3-CD1 3.81Å; A259-L304 HydrophobicContact CB-CD1 3.96Å; A259-L304 HydrophobicContact CB-CD2 4.43Å; A259-L304 HydrophobicContact CB-CG 4.31Å; I262-L304 HydrophobicContact CB-CD1 4.4Å; I262-L304 HydrophobicContact CD1-CD1 4.01Å; I262-L304 HydrophobicContact CG2-CD1 4.33Å; I294-L304 HydrophobicContact CD1-CD2 3.95Å; T300-L304 PolarHBondContact O-N 2.71Å; Y301-L304 PolarHBondContact O-N 3.15Å; L304-G306 VanDerWaalsContact C-N 3.28Å; L304-G306 PolarHBondContact O-N 3.45Å; L304-L307 VanDerWaalsContact O-CB 3.31Å; L304-L307 WeakPolarHBondContact O-CB 3.46Å; L304-L307 PolarHBondContact O-N 3.4Å; L304-L307 VanDerWaalsContact O-N 3.1Å; L304-L308 PolarHBondContact O-N 2.95Å; L304-L308 VanDerWaalsContact O-N 3.09Å
305A96.9Very high94.9Very high17 Ų1752.4 Ų52.414%0.1430%0.303CS..Hα-helixtrans-61.4-39.4174.600000111.6L249 Y301 L302 L307 L308 A309L249-A305 HydrophobicContact CD2-CB 4.3Å; Y301-A305 WeakPolarHBondContact O-CB 3.43Å; Y301-A305 PolarHBondContact O-N 3.33Å; L302-A305 PolarHBondContact O-N 3.47Å; A305-L307 VanDerWaalsContact C-N 3.34Å; A305-L308 PolarHBondContact O-N 3.49Å; A305-A309 PolarHBondContact O-N 3.38Å
306G97Very high94.6Very high21 Ų2153 Ų5322%0.21630%0.299CS..Hα-helixtrans-64.1-35.7173.200000113L302 Q303 L304 A309 R310L302-G306 PolarHBondContact O-N 3.05Å; Q303-G306 PolarHBondContact O-N 3.29Å; L304-G306 VanDerWaalsContact C-N 3.28Å; L304-G306 PolarHBondContact O-N 3.45Å; G306-A309 PolarHBondContact O-N 2.99Å; G306-R310 VanDerWaalsContact C-NH1 3.28Å; G306-R310 WeakPolarHBondContact O-CG 3.49Å; G306-R310 PolarHBondContact O-N 3.42Å; G306-R310 PolarHBondContact O-NH1 2.89Å
307L97.5Very high93.5Very high5 Ų552.3 Ų52.33%0.02631%0.306CS..Hα-helixtrans-59.4-49.8170.7165.667000110.7I263 E286 V287 T290 Q303 L304 A305 A309 R310 L311I263-L307 HydrophobicContact CD1-CD2 3.35Å; E286-L307 HydrophobicContact CB-CD1 3.96Å; V287-L307 HydrophobicContact CG2-CD1 4.02Å; V287-L307 HydrophobicContact CG2-CD2 4.19Å; T290-L307 HydrophobicContact CG2-CB 4Å; T290-L307 HydrophobicContact CG2-CD2 4.18Å; Q303-L307 PolarHBondContact O-N 2.87Å; L304-L307 VanDerWaalsContact O-CB 3.31Å; L304-L307 WeakPolarHBondContact O-CB 3.46Å; L304-L307 PolarHBondContact O-N 3.4Å; L304-L307 VanDerWaalsContact O-N 3.1Å; A305-L307 VanDerWaalsContact C-N 3.34Å; L307-A309 PolarHBondContact O-N 3.25Å; L307-R310 WeakPolarHBondContact O-CA 3.33Å; L307-R310 PolarHBondContact O-N 2.78Å; L307-L311 HydrophobicContact CD1-CD1 4.06Å; L307-L311 HydrophobicContact CD1-CD2 3.97Å; L307-L311 HydrophobicContact CD1-CG 3.8Å; L307-L311 HydrophobicContact CG-CD1 4.1Å; L307-L311 HydrophobicContact CG-CG 4.21Å; L307-L311 WeakPolarHBondContact O-CG 3.48Å; L307-L311 PolarHBondContact O-N 3.21Å
308L97.7Very high92.1Very high4 Ų462.4 Ų62.42%0.02133%0.332CS..Hα-helixtrans-56.7-40.7179.4-56.9-172.7000112.3L233 L242 A245 H246 L249 L304 A305 L311 C312L233-L308 HydrophobicContact CD1-CD2 4.1Å; L233-L308 HydrophobicContact CD2-CD2 3.52Å; L233-L308 HydrophobicContact CG-CD2 3.94Å; L242-L308 HydrophobicContact CD1-CB 3.73Å; A245-L308 HydrophobicContact CB-CD1 3.99Å; H246-L308 HydrophobicContact CB-CD1 4.46Å; L249-L308 HydrophobicContact CB-CD1 3.81Å; L249-L308 HydrophobicContact CD2-CD1 3.63Å; L249-L308 HydrophobicContact CD2-CG 4.06Å; L249-L308 HydrophobicContact CG-CD1 4.35Å; L304-L308 PolarHBondContact O-N 2.95Å; L304-L308 VanDerWaalsContact O-N 3.09Å; A305-L308 PolarHBondContact O-N 3.49Å; L308-L311 PolarHBondContact O-N 3.47Å; L308-C312 PolarHBondContact O-N 3.43Å; L308-C312 PolarHBondContact O-SG 3.13Å
309A96.7Very high92Very high42 Ų4260.8 Ų60.835%0.34732%0.324SS..Hα-helixtrans-63.5-41.317600000112.1L242 A305 G306 L307 K313L242-A309 HydrophobicContact CD1-CB 4.26Å; L242-A309 HydrophobicContact CD2-CB 4.21Å; A305-A309 PolarHBondContact O-N 3.38Å; G306-A309 PolarHBondContact O-N 2.99Å; L307-A309 PolarHBondContact O-N 3.25Å; A309-K313 WeakPolarHBondContact O-CB 3.34Å; A309-K313 PolarHBondContact O-N 3.08Å
310R96.6Very high92Very high62 Ų6262.5 Ų62.523%0.23433%0.326CS..Hα-helixtrans-66-39.4175.3-68.8-172.2-58-84.70.4112E286 T290 G306 L307 K313 I314E286-R310 HydrophobicContact CG-CB 4.2Å; E286-R310 WeakPolarHBondContact OE2-CD 3.38Å; E286-R310 IonicContact OE2-NE 2.89Å; E286-R310 PolarHBondContact OE2-NE 3.01Å; T290-R310 PolarHBondContact OG1-NH2 3.39Å; G306-R310 VanDerWaalsContact C-NH1 3.28Å; G306-R310 WeakPolarHBondContact O-CG 3.49Å; G306-R310 PolarHBondContact O-N 3.42Å; G306-R310 PolarHBondContact O-NH1 2.89Å; L307-R310 WeakPolarHBondContact O-CA 3.33Å; L307-R310 PolarHBondContact O-N 2.78Å; R310-K313 PolarHBondContact O-N 2.99Å; R310-I314 WeakPolarHBondContact O-CG1 3.43Å; R310-I314 PolarHBondContact O-N 3.01Å
311L96.1Very high91.8Very high0 Ų061.8 Ų61.80%032%0.319CS..Hα-helixtrans-62.6-48.6174.6-63.8-177.3000111.8C237 F283 E286 L307 L308 K313 I314C237-L311 HydrophobicContact CB-CB 3.96Å; C237-L311 HydrophobicContact CB-CD1 4.46Å; F283-L311 HydrophobicContact CB-CD2 3.96Å; F283-L311 HydrophobicContact CD1-CD1 4.33Å; F283-L311 HydrophobicContact CD1-CD2 3.99Å; F283-L311 HydrophobicContact CD2-CD2 3.88Å; F283-L311 HydrophobicContact CE1-CB 4.28Å; F283-L311 HydrophobicContact CE1-CD1 4.44Å; F283-L311 HydrophobicContact CE1-CD2 4.45Å; F283-L311 HydrophobicContact CE2-CB 4.26Å; F283-L311 HydrophobicContact CE2-CD2 4.35Å; F283-L311 WeakPolarHBondContact CE2-O 3.47Å; F283-L311 HydrophobicContact CG-CD2 3.68Å; F283-L311 HydrophobicContact CZ-CB 4.08Å; E286-L311 HydrophobicContact CB-CD2 3.9Å; L307-L311 HydrophobicContact CD1-CD1 4.06Å; L307-L311 HydrophobicContact CD1-CD2 3.97Å; L307-L311 HydrophobicContact CD1-CG 3.8Å; L307-L311 HydrophobicContact CG-CD1 4.1Å; L307-L311 HydrophobicContact CG-CG 4.21Å; L307-L311 WeakPolarHBondContact O-CG 3.48Å; L307-L311 PolarHBondContact O-N 3.21Å; L308-L311 PolarHBondContact O-N 3.47Å; L311-K313 VanDerWaalsContact C-N 3.27Å; L311-K313 PolarHBondContact O-N 3.09Å; L311-I314 WeakPolarHBondContact O-CB 3.36Å; L311-I314 PolarHBondContact O-N 3.39Å
312C95.2Very high91.6Very high5 Ų562.4 Ų62.43%0.03433%0.326CS..Hα-helixtrans-61-38.5176.7-63.20000111.6L308 I314 V315 L316L308-C312 PolarHBondContact O-N 3.43Å; L308-C312 PolarHBondContact O-SG 3.13Å; C312-I314 VanDerWaalsContact C-N 3.25Å; C312-I314 PolarHBondContact O-N 3.41Å; C312-V315 PolarHBondContact O-N 2.88Å; C312-L316 WeakPolarHBondContact O-CG 3.43Å; C312-L316 PolarHBondContact O-N 3.43Å
313K94.2Very high91.3Very high160 Ų16057.8 Ų57.870%0.69630%0.301SS*.Hα-helixtrans-63.3-28.3178.6-173.1177.3-179.2179.50113.3A309 R310 L311 V315A309-K313 WeakPolarHBondContact O-CB 3.34Å; A309-K313 PolarHBondContact O-N 3.08Å; R310-K313 PolarHBondContact O-N 2.99Å; L311-K313 VanDerWaalsContact C-N 3.27Å; L311-K313 PolarHBondContact O-N 3.09Å; K313-V315 VanDerWaalsContact C-N 3.28Å; K313-V315 PolarHBondContact O-N 3.33Å
314I92.3Very high90.9Very high41 Ų4159.7 Ų59.721%0.2131%0.313CS..Hα-helixtrans-66.4-34.2177.2-71162.2000111.5L279 G282 F283 E286 R310 L311 C312L279-I314 HydrophobicContact CD2-CG2 3.93Å; G282-I314 WeakPolarHBondContact O-CD1 3.36Å; F283-I314 HydrophobicContact CD2-CD1 4.15Å; F283-I314 HydrophobicContact CD2-CG2 4.42Å; F283-I314 HydrophobicContact CE2-CB 4.28Å; F283-I314 HydrophobicContact CE2-CG2 4.31Å; E286-I314 HydrophobicContact CG-CD1 3.64Å; R310-I314 WeakPolarHBondContact O-CG1 3.43Å; R310-I314 PolarHBondContact O-N 3.01Å; L311-I314 WeakPolarHBondContact O-CB 3.36Å; L311-I314 PolarHBondContact O-N 3.39Å; C312-I314 VanDerWaalsContact C-N 3.25Å; C312-I314 PolarHBondContact O-N 3.41Å
315V89Confident90.5Very high43 Ų4363.9 Ų63.926%0.26133%0.334SS..Hα-helixtrans-80.6-32.7-177.6-177.80000111.6C237 S238 L279 F283 C312 K313C237-V315 WeakPolarHBondContact O-CG2 3.31Å; S238-V315 WeakPolarHBondContact O-CG1 3.49Å; L279-V315 HydrophobicContact CD2-CG2 4.3Å; F283-V315 HydrophobicContact CE2-CG2 4.07Å; F283-V315 HydrophobicContact CZ-CG2 4.09Å; C312-V315 PolarHBondContact O-N 2.88Å; K313-V315 VanDerWaalsContact C-N 3.28Å; K313-V315 PolarHBondContact O-N 3.33Å
316L84.1Confident90Very high101 Ų10167.5 Ų67.553%0.52935%0.349SS..SBendtrans-65.6135.9-178.3-68.6170.7000110.5C312C312-L316 WeakPolarHBondContact O-CG 3.43Å; C312-L316 PolarHBondContact O-N 3.43Å
317P71.1Confident89.4Confident119 Ų11971.3 Ų71.377%0.77336%0.36SS*.  trans-57.8141.617523.1-30.9000110.1
318K62.5Low88.7Confident274 Ų27477.4 Ų77.4100%1.19139%0.39SS*.  trans-690173.6-76.9-173.6179.6176.30111.7

Retrieved 318 of 318 residues in 206.7 ms (Link to these results)

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