A0A077ZDW9_TRITR Loading...

TUDOR domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDW9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 619 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
1M66Low87.5Confident112 Ų11273.6 Ų73.655%0.55234%0.341SS*.  0136.20-172.3-166.8-58.200106.9T5 L6 R36 L43M1-T5 HydrophobicContact CG-CG2 4.23Å; M1-L6 HydrophobicContact SD-CB 3.64Å; M1-L6 HydrophobicContact SD-CD1 3.91Å; M1-L6 HydrophobicContact SD-CG 4.31Å; M1-R36 VanDerWaalsContact CE-NH2 3.26Å; M1-L43 HydrophobicContact CB-CD2 4.25Å; M1-L43 HydrophobicContact CE-CD2 4.1Å; M1-L43 HydrophobicContact SD-CD2 4.26Å
2E83.3Confident87.6Confident144 Ų14472.4 Ų72.467%0.67335%0.347SS*.  trans-74.3148.6178.5-65.5174165.400111.4D4 T5 L6E2-D4 VanDerWaalsContact C-N 3.31Å; E2-D4 PolarHBondContact O-N 3.18Å; E2-T5 PolarHBondContact O-N 3.38Å; E2-T5 VanDerWaalsContact O-N 3.15Å; E2-L6 PolarHBondContact O-N 3.11Å
3R86.6Confident87.9Confident155 Ų15566.8 Ų66.859%0.58532%0.32SS*.Hα-helixtrans-59.4-41-176.1-173.7174.4-172.9144.82.4112.1T5 L6 K7 S54 F55R3-T5 VanDerWaalsContact C-N 3.33Å; R3-L6 PolarHBondContact O-N 3.33Å; R3-K7 VanDerWaalsContact O-CB 3.26Å; R3-K7 WeakPolarHBondContact O-CB 3.07Å; R3-K7 PolarHBondContact O-N 3.5Å; R3-S54 PolarHBondContact NH2-O 2.93Å; R3-F55 HydrophobicContact CG-CE1 3.69Å; R3-F55 HydrophobicContact CG-CZ 3.84Å
4D86.6Confident88.1Confident94 Ų9462.1 Ų62.150%0.50330%0.297SS..Hα-helixtrans-74.5-22.3-179.5-65.4-63.7000113.7E2 K8E2-D4 VanDerWaalsContact C-N 3.31Å; E2-D4 PolarHBondContact O-N 3.18Å; D4-K8 WeakPolarHBondContact O-CD 3.4Å; D4-K8 VanDerWaalsContact O-CG 3.23Å; D4-K8 WeakPolarHBondContact O-CG 3.36Å; D4-K8 PolarHBondContact O-N 3.5Å
5T90Very high88.2Confident50 Ų5059.6 Ų59.631%0.30729%0.286SS..Hα-helixtrans-73.9-48170.6-63.30000110.1M1 E2 R3 K7 K8 E9M1-T5 HydrophobicContact CG-CG2 4.23Å; E2-T5 PolarHBondContact O-N 3.38Å; E2-T5 VanDerWaalsContact O-N 3.15Å; R3-T5 VanDerWaalsContact C-N 3.33Å; T5-K7 VanDerWaalsContact C-N 3.32Å; T5-K7 PolarHBondContact O-N 3.32Å; T5-K8 PolarHBondContact O-N 3.49Å; T5-E9 WeakPolarHBondContact O-CG 3.34Å; T5-E9 PolarHBondContact O-N 3.03Å
6L91.6Very high88Confident7 Ų760.3 Ų60.34%0.03730%0.295CS..Hα-helixtrans-56.3-47172.6-178.358.3000111.3M1 E2 R3 K8 E9 L10 L43 Y45 L51 F55M1-L6 HydrophobicContact SD-CB 3.64Å; M1-L6 HydrophobicContact SD-CD1 3.91Å; M1-L6 HydrophobicContact SD-CG 4.31Å; E2-L6 PolarHBondContact O-N 3.11Å; R3-L6 PolarHBondContact O-N 3.33Å; L6-K8 VanDerWaalsContact C-N 3.3Å; L6-K8 PolarHBondContact O-N 3.47Å; L6-E9 WeakPolarHBondContact O-CB 3.4Å; L6-E9 PolarHBondContact O-N 2.78Å; L6-E9 VanDerWaalsContact O-N 3.08Å; L6-L10 HydrophobicContact CD1-CD2 4.06Å; L6-L10 HydrophobicContact CD1-CG 4.22Å; L6-L10 HydrophobicContact CG-CD1 4.48Å; L6-L10 HydrophobicContact CG-CG 4.32Å; L6-L10 WeakPolarHBondContact O-CG 3.43Å; L6-L10 PolarHBondContact O-N 3.3Å; L6-L43 HydrophobicContact CD1-CD1 3.81Å; L6-L43 HydrophobicContact CD2-CD1 3.98Å; L6-L43 HydrophobicContact CD2-CD2 4.09Å; L6-L43 HydrophobicContact CD2-CG 4.49Å; L6-Y45 HydrophobicContact CD2-CE2 4.22Å; L6-L51 HydrophobicContact CD2-CD1 3.92Å; L6-F55 HydrophobicContact CB-CZ 4.42Å; L6-F55 HydrophobicContact CD2-CE2 3.82Å; L6-F55 HydrophobicContact CD2-CZ 3.87Å; L6-F55 HydrophobicContact CG-CE2 4.17Å; L6-F55 HydrophobicContact CG-CZ 4.11Å
7K91.4Very high87.9Confident63 Ų6358.9 Ų58.927%0.27429%0.287SS..Hα-helixtrans-53-43.6177.2-178.2173.9157.7166.90112.9R3 T5 H11 F55 D57 V58R3-K7 VanDerWaalsContact O-CB 3.26Å; R3-K7 WeakPolarHBondContact O-CB 3.07Å; R3-K7 PolarHBondContact O-N 3.5Å; T5-K7 VanDerWaalsContact C-N 3.32Å; T5-K7 PolarHBondContact O-N 3.32Å; K7-H11 PolarHBondContact O-N 3.22Å; K7-F55 HydrophobicContact CB-CD1 3.98Å; K7-F55 HydrophobicContact CB-CE1 3.76Å; K7-F55 HydrophobicContact CD-CD1 4.43Å; K7-F55 HydrophobicContact CG-CD1 4.06Å; K7-F55 HydrophobicContact CG-CE1 4.3Å; K7-D57 WeakPolarHBondContact CE-OD2 3.47Å; K7-D57 IonicContact NZ-OD2 3.9Å; K7-D57 PolarHBondContact NZ-OD2 2.78Å; K7-V58 HydrophobicContact CD-CG2 4.11Å; K7-V58 HydrophobicContact CG-CB 4.48Å; K7-V58 HydrophobicContact CG-CG2 3.57Å
8K90.3Very high87.6Confident147 Ų14760.2 Ų60.264%0.63929%0.291SS*.Hα-helixtrans-66.6-44.3175.8-70.6162.5-170.71710111.4D4 T5 L6 H11 S12D4-K8 WeakPolarHBondContact O-CD 3.4Å; D4-K8 VanDerWaalsContact O-CG 3.23Å; D4-K8 WeakPolarHBondContact O-CG 3.36Å; D4-K8 PolarHBondContact O-N 3.5Å; T5-K8 PolarHBondContact O-N 3.49Å; L6-K8 VanDerWaalsContact C-N 3.3Å; L6-K8 PolarHBondContact O-N 3.47Å; K8-H11 WeakPolarHBondContact O-CB 3.18Å; K8-H11 PolarHBondContact O-N 3.1Å; K8-S12 PolarHBondContact O-N 3.26Å; K8-S12 PolarHBondContact O-OG 3.38Å
9E92.2Very high86.9Confident27 Ų2758.6 Ų58.613%0.12629%0.287CS..Hα-helixtrans-62.5-44.3179.4-71174.4-17700113T5 L6 H11 S12 V13 Y30 L34 R36T5-E9 WeakPolarHBondContact O-CG 3.34Å; T5-E9 PolarHBondContact O-N 3.03Å; L6-E9 WeakPolarHBondContact O-CB 3.4Å; L6-E9 PolarHBondContact O-N 2.78Å; L6-E9 VanDerWaalsContact O-N 3.08Å; E9-H11 VanDerWaalsContact C-N 3.29Å; E9-H11 PolarHBondContact O-N 3.34Å; E9-S12 WeakPolarHBondContact CA-OG 3.29Å; E9-S12 PolarHBondContact O-N 3.5Å; E9-S12 PolarHBondContact O-OG 3.27Å; E9-S12 VanDerWaalsContact O-OG 3.04Å; E9-V13 WeakPolarHBondContact O-CG2 3.33Å; E9-V13 PolarHBondContact O-N 3.28Å; E9-V13 VanDerWaalsContact O-N 3.1Å; E9-Y30 HydrophobicContact CB-CE2 4.04Å; E9-Y30 PolarHBondContact OE2-OH 3.48Å; E9-L34 HydrophobicContact CB-CD1 3.88Å; E9-L34 HydrophobicContact CG-CD1 3.94Å; E9-L34 HydrophobicContact CG-CD2 4.5Å; E9-R36 IonicContact OE1-CZ 3.88Å; E9-R36 IonicContact OE1-NH2 2.79Å; E9-R36 PolarHBondContact OE1-NH2 2.71Å; E9-R36 IonicContact OE2-CZ 3.65Å; E9-R36 IonicContact OE2-NH1 2.69Å; E9-R36 IonicContact OE2-NH2 3.65Å; E9-R36 PolarHBondContact OE2-NH2 2.65Å
10L93.3Very high86.8Confident0 Ų055.7 Ų55.70%027%0.273CS..Hα-helixtrans-58.5-44174.3-61-173.9000110.6L6 L14 F26 L51 F55L6-L10 HydrophobicContact CD1-CD2 4.06Å; L6-L10 HydrophobicContact CD1-CG 4.22Å; L6-L10 HydrophobicContact CG-CD1 4.48Å; L6-L10 HydrophobicContact CG-CG 4.32Å; L6-L10 WeakPolarHBondContact O-CG 3.43Å; L6-L10 PolarHBondContact O-N 3.3Å; L10-L14 VanDerWaalsContact O-CB 3.25Å; L10-L14 WeakPolarHBondContact O-CB 3.43Å; L10-L14 VanDerWaalsContact O-CG 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.17Å; L10-L14 PolarHBondContact O-N 3.12Å; L10-F26 HydrophobicContact CD2-CE1 4.17Å; L10-F26 HydrophobicContact CD2-CZ 3.58Å; L10-L51 HydrophobicContact CD1-CD1 4.12Å; L10-L51 HydrophobicContact CD1-CG 4.32Å; L10-L51 HydrophobicContact CD2-CD2 4.04Å; L10-L51 HydrophobicContact CD2-CG 4.45Å; L10-F55 HydrophobicContact CD1-CB 4.23Å; L10-F55 HydrophobicContact CD1-CD2 3.36Å; L10-F55 HydrophobicContact CD1-CE2 3.83Å; L10-F55 HydrophobicContact CD1-CG 3.87Å
11H90.9Very high86.7Confident11 Ų1153 Ų535%0.05126%0.26CS..Hα-helixtrans-65.2-48.1178.9-162.5-97000112.6K7 K8 E9 V13 L14 I15 V58 K71 T76K7-H11 PolarHBondContact O-N 3.22Å; K8-H11 WeakPolarHBondContact O-CB 3.18Å; K8-H11 PolarHBondContact O-N 3.1Å; E9-H11 VanDerWaalsContact C-N 3.29Å; E9-H11 PolarHBondContact O-N 3.34Å; H11-V13 VanDerWaalsContact C-N 3.28Å; H11-V13 PolarHBondContact O-N 2.83Å; H11-L14 PolarHBondContact O-N 3.12Å; H11-I15 WeakPolarHBondContact O-CB 3.37Å; H11-I15 WeakPolarHBondContact O-CG2 3.26Å; H11-I15 PolarHBondContact O-N 2.97Å; H11-V58 HydrophobicContact CB-CG1 3.71Å; H11-K71 PolarHBondContact NE2-O 3.1Å; H11-T76 PolarHBondContact CE1-OG1 2.86Å
12S89.6Confident87.6Confident59 Ų5949 Ų4941%0.41324%0.242SC..Hα-helixtrans-65.2-29.6-177.156.10000113.3K8 E9K8-S12 PolarHBondContact O-N 3.26Å; K8-S12 PolarHBondContact O-OG 3.38Å; E9-S12 WeakPolarHBondContact CA-OG 3.29Å; E9-S12 PolarHBondContact O-N 3.5Å; E9-S12 PolarHBondContact O-OG 3.27Å; E9-S12 VanDerWaalsContact O-OG 3.04Å
13V91.2Very high87.7Confident0 Ų042.5 Ų42.50%021%0.214CC..Hα-helixtrans-78.9-50.5172.8175.30000110.1E9 H11 I15 T16 F17 F26 A29 Y30 C33 L34E9-V13 WeakPolarHBondContact O-CG2 3.33Å; E9-V13 PolarHBondContact O-N 3.28Å; E9-V13 VanDerWaalsContact O-N 3.1Å; H11-V13 VanDerWaalsContact C-N 3.28Å; H11-V13 PolarHBondContact O-N 2.83Å; V13-I15 VanDerWaalsContact C-N 3.31Å; V13-I15 PolarHBondContact O-N 3.11Å; V13-T16 PolarHBondContact O-N 3.37Å; V13-T16 PolarHBondContact O-OG1 3.35Å; V13-F17 HydrophobicContact CG1-CE2 4.42Å; V13-F26 HydrophobicContact CB-CD2 4.46Å; V13-F26 HydrophobicContact CB-CE2 3.81Å; V13-F26 HydrophobicContact CG1-CD2 3.72Å; V13-F26 HydrophobicContact CG1-CE2 3.52Å; V13-F26 HydrophobicContact CG1-CZ 4.47Å; V13-A29 HydrophobicContact CG1-CB 3.88Å; V13-Y30 HydrophobicContact CG2-CD2 4.11Å; V13-C33 HydrophobicContact CG2-CB 4.25Å; V13-L34 HydrophobicContact CG2-CD1 4.19Å; V13-L34 HydrophobicContact CG2-CG 4.39Å
14L90.8Very high87.5Confident0 Ų039.4 Ų39.40%021%0.206CC..Hα-helixtrans-64.9-28.6-176.3-74.7171.9000114.3L10 H11 T16 F17 F26 M52 V59 A70L10-L14 VanDerWaalsContact O-CB 3.25Å; L10-L14 WeakPolarHBondContact O-CB 3.43Å; L10-L14 VanDerWaalsContact O-CG 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.17Å; L10-L14 PolarHBondContact O-N 3.12Å; H11-L14 PolarHBondContact O-N 3.12Å; L14-T16 PolarHBondContact O-N 3.18Å; L14-F17 PolarHBondContact O-N 3.49Å; L14-F26 HydrophobicContact CD1-CE2 4.5Å; L14-F26 HydrophobicContact CD2-CD2 3.47Å; L14-F26 VanDerWaalsContact CD2-CD2 3.47Å; L14-F26 HydrophobicContact CD2-CE2 3.98Å; L14-F26 HydrophobicContact CD2-CG 4.27Å; L14-F26 HydrophobicContact CG-CD2 3.79Å; L14-F26 HydrophobicContact CG-CE2 3.74Å; L14-M52 HydrophobicContact CD1-CE 4.01Å; L14-M52 HydrophobicContact CD1-SD 4.01Å; L14-M52 HydrophobicContact CD2-CE 4.12Å; L14-M52 HydrophobicContact CG-CE 4.35Å; L14-V59 HydrophobicContact CD1-CB 4.34Å; L14-V59 HydrophobicContact CD1-CG1 3.89Å; L14-V59 HydrophobicContact CD1-CG2 3.75Å; L14-A70 HydrophobicContact CB-CB 3.83Å
15I89Confident87.4Confident25 Ų2537.1 Ų37.113%0.12819%0.194CC..THydrogen-bonded Turntrans-68.1-23.9179.4-164.9173.1000112.6H11 V13 F17 A70 T76 L79 I83H11-I15 WeakPolarHBondContact O-CB 3.37Å; H11-I15 WeakPolarHBondContact O-CG2 3.26Å; H11-I15 PolarHBondContact O-N 2.97Å; V13-I15 VanDerWaalsContact C-N 3.31Å; V13-I15 PolarHBondContact O-N 3.11Å; I15-F17 PolarHBondContact O-N 3.34Å; I15-A70 HydrophobicContact CB-CB 3.95Å; I15-T76 HydrophobicContact CD1-CG2 4.4Å; I15-L79 HydrophobicContact CD1-CB 3.97Å; I15-I83 HydrophobicContact CG1-CD1 4.24Å; I15-I83 WeakPolarHBondContact O-CD1 3.38Å
16T85.3Confident87.5Confident70 Ų7034.8 Ų34.843%0.42918%0.18SC..THydrogen-bonded Turntrans-63.7-23174.468.70000112.6V13 L14 K18V13-T16 PolarHBondContact O-N 3.37Å; V13-T16 PolarHBondContact O-OG1 3.35Å; L14-T16 PolarHBondContact O-N 3.18Å; T16-K18 PolarHBondContact O-N 3.38Å
17F85.6Confident87.4Confident37 Ų3736.6 Ų36.616%0.16219%0.191CC..  trans-93.192.3-178.7-66.4-91.9000111.8V13 L14 I15 S19 G20 A21 D25 A29V13-F17 HydrophobicContact CG1-CE2 4.42Å; L14-F17 PolarHBondContact O-N 3.49Å; I15-F17 PolarHBondContact O-N 3.34Å; F17-S19 PolarHBondContact O-N 2.95Å; F17-S19 VanDerWaalsContact O-N 3.08Å; F17-G20 PolarHBondContact O-N 3.24Å; F17-A21 HydrophobicContact CB-CB 4.32Å; F17-A21 HydrophobicContact CD1-CB 3.6Å; F17-A21 HydrophobicContact CD2-CB 3.8Å; F17-A21 HydrophobicContact CE1-CB 3.65Å; F17-A21 HydrophobicContact CE2-CB 3.85Å; F17-A21 HydrophobicContact CG-CB 3.66Å; F17-A21 HydrophobicContact CZ-CB 3.77Å; F17-D25 HydrophobicContact CE1-CB 4.03Å; F17-D25 HydrophobicContact CZ-CB 4.22Å; F17-A29 HydrophobicContact CE2-CB 3.61Å; F17-A29 HydrophobicContact CZ-CB 3.56Å
18K82.4Confident87.2Confident82 Ų8239.1 Ų39.136%0.35720%0.202SC..THydrogen-bonded Turntrans-44.5-39.3175.1-174-179.8175.4-174.80114.6T16 I83 A84 Q86 D88T16-K18 PolarHBondContact O-N 3.38Å; K18-I83 HydrophobicContact CB-CG2 4.05Å; K18-A84 VanDerWaalsContact CE-O 3.32Å; K18-A84 WeakPolarHBondContact CE-O 3.36Å; K18-Q86 PolarHBondContact NZ-O 2.69Å; K18-D88 WeakPolarHBondContact CD-OD1 3.32Å; K18-D88 IonicContact NZ-OD1 2.69Å; K18-D88 PolarHBondContact NZ-OD1 2.98Å; K18-D88 IonicContact NZ-OD2 3.75Å; K18-D88 PolarHBondContact NZ-OD2 2.99Å
19S75.3Confident87Confident31 Ų3132.8 Ų32.822%0.21718%0.177CC..THydrogen-bonded Turntrans-102.30.4178.260.20000114.8F17F17-S19 PolarHBondContact O-N 2.95Å; F17-S19 VanDerWaalsContact O-N 3.08Å
20G85.3Confident87Confident0 Ų031.6 Ų31.60%017%0.171CC..  trans80.3167.9-16000000114.1F17 Y68F17-G20 PolarHBondContact O-N 3.24Å; G20-Y68 CarbonylContact C-O 3.52Å; G20-Y68 WeakPolarHBondContact CA-O 3.41Å
21A83.4Confident86.8Confident0 Ų035.8 Ų35.80%019%0.191CC..EExtended strand (participates in β ladder)trans-119.7148.5-174.600000110.9F17 D25 F26 V67 Y68F17-A21 HydrophobicContact CB-CB 4.32Å; F17-A21 HydrophobicContact CD1-CB 3.6Å; F17-A21 HydrophobicContact CD2-CB 3.8Å; F17-A21 HydrophobicContact CE1-CB 3.65Å; F17-A21 HydrophobicContact CE2-CB 3.85Å; F17-A21 HydrophobicContact CG-CB 3.66Å; F17-A21 HydrophobicContact CZ-CB 3.77Å; A21-D25 HydrophobicContact CB-CB 4.22Å; A21-F26 HydrophobicContact CB-CB 4.09Å; A21-V67 CarbonylContact O-C 3.56Å; A21-V67 VanDerWaalsContact O-CA 3.29Å; A21-V67 WeakPolarHBondContact O-CA 3.4Å; A21-Y68 PolarHBondContact N-O 3.09Å; A21-Y68 PolarHBondContact O-N 3.27Å
22S85.4Confident86.5Confident26 Ų2640.5 Ų40.518%0.18222%0.217CC..EExtended strand (participates in β ladder)trans-68.8167.9160.875.30000110.5H24 D25 F26S22-H24 VanDerWaalsContact C-N 3.27Å; S22-H24 PolarHBondContact O-N 3.31Å; S22-H24 PolarHBondContact OG-N 3.27Å; S22-D25 VanDerWaalsContact CB-OD2 3.3Å; S22-D25 WeakPolarHBondContact CB-OD2 3.44Å; S22-D25 PolarHBondContact N-OD2 2.66Å; S22-D25 PolarHBondContact O-N 2.82Å; S22-D25 PolarHBondContact OG-N 2.98Å; S22-D25 PolarHBondContact OG-OD2 3.4Å; S22-F26 WeakPolarHBondContact O-CB 3.37Å; S22-F26 PolarHBondContact O-N 2.92Å
23G85.5Confident86.4Confident9 Ų941.4 Ų41.49%0.09322%0.222CC..Hα-helixtrans-56.2-41.417300000113.3V27 I48 F66G23-V27 WeakPolarHBondContact O-CG2 3.44Å; G23-V27 PolarHBondContact O-N 3.48Å; G23-I48 WeakPolarHBondContact O-CD1 3.38Å; G23-F66 PolarHBondContact N-O 2.83Å
24H81.7Confident86.3Confident89 Ų8944 Ų4441%0.41224%0.236SC..Hα-helixtrans-62.3-50.8176.4169.4-90000111.6S22 F26 V27 K28S22-H24 VanDerWaalsContact C-N 3.27Å; S22-H24 PolarHBondContact O-N 3.31Å; S22-H24 PolarHBondContact OG-N 3.27Å; H24-F26 VanDerWaalsContact C-N 3.28Å; H24-F26 PolarHBondContact O-N 3.12Å; H24-V27 PolarHBondContact O-N 3.48Å; H24-K28 PolarHBondContact O-N 3.4Å
25D85.8Confident86Confident47 Ų4747.6 Ų47.625%0.25127%0.272SS..Hα-helixtrans-65-36.3-177.4-49.6-40.7000111.4F17 A21 S22 A29F17-D25 HydrophobicContact CE1-CB 4.03Å; F17-D25 HydrophobicContact CZ-CB 4.22Å; A21-D25 HydrophobicContact CB-CB 4.22Å; S22-D25 VanDerWaalsContact CB-OD2 3.3Å; S22-D25 WeakPolarHBondContact CB-OD2 3.44Å; S22-D25 PolarHBondContact N-OD2 2.66Å; S22-D25 PolarHBondContact O-N 2.82Å; S22-D25 PolarHBondContact OG-N 2.98Å; S22-D25 PolarHBondContact OG-OD2 3.4Å; D25-A29 VanDerWaalsContact O-CB 3.31Å; D25-A29 WeakPolarHBondContact O-CB 3.47Å; D25-A29 PolarHBondContact O-N 3.23Å
26F90.7Very high86Confident0 Ų049.8 Ų49.80%028%0.279CS..Hα-helixtrans-64-47.8173.5174-99.5000112.2L10 V13 L14 A21 S22 H24 K28 A29 Y30 L38 I48 M52L10-F26 HydrophobicContact CD2-CE1 4.17Å; L10-F26 HydrophobicContact CD2-CZ 3.58Å; V13-F26 HydrophobicContact CB-CD2 4.46Å; V13-F26 HydrophobicContact CB-CE2 3.81Å; V13-F26 HydrophobicContact CG1-CD2 3.72Å; V13-F26 HydrophobicContact CG1-CE2 3.52Å; V13-F26 HydrophobicContact CG1-CZ 4.47Å; L14-F26 HydrophobicContact CD1-CE2 4.5Å; L14-F26 HydrophobicContact CD2-CD2 3.47Å; L14-F26 VanDerWaalsContact CD2-CD2 3.47Å; L14-F26 HydrophobicContact CD2-CE2 3.98Å; L14-F26 HydrophobicContact CD2-CG 4.27Å; L14-F26 HydrophobicContact CG-CD2 3.79Å; L14-F26 HydrophobicContact CG-CE2 3.74Å; A21-F26 HydrophobicContact CB-CB 4.09Å; S22-F26 WeakPolarHBondContact O-CB 3.37Å; S22-F26 PolarHBondContact O-N 2.92Å; H24-F26 VanDerWaalsContact C-N 3.28Å; H24-F26 PolarHBondContact O-N 3.12Å; F26-K28 VanDerWaalsContact C-N 3.3Å; F26-K28 PolarHBondContact O-N 3.48Å; F26-A29 PolarHBondContact O-N 3.04Å; F26-Y30 HydrophobicContact CE1-CD2 4.42Å; F26-Y30 AromaticContact CZ-CD2 3.87Å; F26-Y30 HydrophobicContact CZ-CD2 3.87Å; F26-Y30 HydrophobicContact CZ-CG 4.47Å; F26-Y30 VanDerWaalsContact O-CB 3.27Å; F26-Y30 WeakPolarHBondContact O-CB 3.23Å; F26-Y30 PolarHBondContact O-N 3.41Å; F26-L38 HydrophobicContact CD1-CD2 4.33Å; F26-L38 HydrophobicContact CE1-CD2 3.75Å; F26-I48 HydrophobicContact CD1-CG2 4.2Å; F26-M52 HydrophobicContact CB-CE 4.43Å; F26-M52 HydrophobicContact CD1-CE 3.31Å; F26-M52 HydrophobicContact CD2-CE 3.71Å; F26-M52 HydrophobicContact CE1-CE 3.36Å; F26-M52 HydrophobicContact CE2-CE 3.76Å; F26-M52 HydrophobicContact CG-CE 3.5Å; F26-M52 VanDerWaalsContact CG-CE 3.5Å; F26-M52 HydrophobicContact CZ-CE 3.6Å
27V89.5Confident86Confident45 Ų4550.3 Ų50.327%0.27328%0.284SS..Hα-helixtrans-61.7-41.9178.7166.60000110.9G23 H24 Y30 Q31 L38 I48G23-V27 WeakPolarHBondContact O-CG2 3.44Å; G23-V27 PolarHBondContact O-N 3.48Å; H24-V27 PolarHBondContact O-N 3.48Å; V27-Y30 PolarHBondContact O-N 2.91Å; V27-Q31 PolarHBondContact O-N 3.29Å; V27-Q31 VanDerWaalsContact O-N 3.13Å; V27-L38 HydrophobicContact CG2-CD2 3.88Å; V27-I48 HydrophobicContact CG2-CD1 3.52Å; V27-I48 HydrophobicContact CG2-CG1 3.79Å
28K87.1Confident86.1Confident117 Ų11749.4 Ų49.451%0.50928%0.28SS..Hα-helixtrans-61.6-53.5175.3-172.7-172.6171-171.80111.3H24 F26 Y30 Q31 D32H24-K28 PolarHBondContact O-N 3.4Å; F26-K28 VanDerWaalsContact C-N 3.3Å; F26-K28 PolarHBondContact O-N 3.48Å; K28-Y30 VanDerWaalsContact C-N 3.28Å; K28-Y30 PolarHBondContact O-N 3.34Å; K28-Q31 WeakPolarHBondContact O-CB 3.44Å; K28-Q31 PolarHBondContact O-N 2.84Å; K28-Q31 VanDerWaalsContact O-N 3.07Å; K28-D32 WeakPolarHBondContact CE-OD2 3.35Å; K28-D32 PolarHBondContact O-N 3.31Å
29A86.3Confident86.4Confident14 Ų1448.4 Ų48.412%0.11628%0.279CS..Hα-helixtrans-64.5-30179.600000113.2V13 F17 D25 F26 D32 C33V13-A29 HydrophobicContact CG1-CB 3.88Å; F17-A29 HydrophobicContact CE2-CB 3.61Å; F17-A29 HydrophobicContact CZ-CB 3.56Å; D25-A29 VanDerWaalsContact O-CB 3.31Å; D25-A29 WeakPolarHBondContact O-CB 3.47Å; D25-A29 PolarHBondContact O-N 3.23Å; F26-A29 PolarHBondContact O-N 3.04Å; A29-D32 PolarHBondContact O-N 3.45Å; A29-C33 WeakPolarHBondContact O-CB 3.49Å; A29-C33 PolarHBondContact O-N 3.48Å; A29-C33 PolarHBondContact O-SG 2.9Å
30Y91.8Very high87Confident1 Ų148.7 Ų48.70%0.00428%0.278CS..Hα-helixtrans-63.6-42.3172.1-175.5-82.7000111.1E9 V13 F26 V27 K28 L34 R36 L38E9-Y30 HydrophobicContact CB-CE2 4.04Å; E9-Y30 PolarHBondContact OE2-OH 3.48Å; V13-Y30 HydrophobicContact CG2-CD2 4.11Å; F26-Y30 HydrophobicContact CE1-CD2 4.42Å; F26-Y30 AromaticContact CZ-CD2 3.87Å; F26-Y30 HydrophobicContact CZ-CD2 3.87Å; F26-Y30 HydrophobicContact CZ-CG 4.47Å; F26-Y30 VanDerWaalsContact O-CB 3.27Å; F26-Y30 WeakPolarHBondContact O-CB 3.23Å; F26-Y30 PolarHBondContact O-N 3.41Å; V27-Y30 PolarHBondContact O-N 2.91Å; K28-Y30 VanDerWaalsContact C-N 3.28Å; K28-Y30 PolarHBondContact O-N 3.34Å; Y30-L34 HydrophobicContact CD1-CD1 4.24Å; Y30-L34 HydrophobicContact CD2-CD1 3.65Å; Y30-L34 HydrophobicContact CE1-CD1 4.01Å; Y30-L34 HydrophobicContact CE2-CD1 3.36Å; Y30-L34 HydrophobicContact CG-CD1 4.07Å; Y30-L34 VanDerWaalsContact O-CB 3.31Å; Y30-L34 WeakPolarHBondContact O-CB 3.44Å; Y30-L34 PolarHBondContact O-N 3.26Å; Y30-L34 VanDerWaalsContact O-N 3.14Å; Y30-R36 PolarHBondContact OH-NH1 3.41Å; Y30-R36 PolarHBondContact OH-NH2 3.37Å; Y30-L38 HydrophobicContact CD1-CB 3.68Å; Y30-L38 HydrophobicContact CD1-CD1 3.98Å; Y30-L38 HydrophobicContact CD1-CG 4.41Å; Y30-L38 HydrophobicContact CD2-CD1 4.08Å; Y30-L38 HydrophobicContact CE1-CB 3.95Å; Y30-L38 HydrophobicContact CE1-CD1 3.68Å; Y30-L38 HydrophobicContact CE1-CG 4.43Å; Y30-L38 HydrophobicContact CE2-CD1 3.8Å; Y30-L38 HydrophobicContact CG-CB 4.23Å; Y30-L38 HydrophobicContact CG-CD1 4.17Å
31Q90.8Very high86.9Confident88 Ų8852.6 Ų52.641%0.41131%0.31SS..Hα-helixtrans-67.1-46.1173.5-179.3173.6-2200112V27 K28 G35V27-Q31 PolarHBondContact O-N 3.29Å; V27-Q31 VanDerWaalsContact O-N 3.13Å; K28-Q31 WeakPolarHBondContact O-CB 3.44Å; K28-Q31 PolarHBondContact O-N 2.84Å; K28-Q31 VanDerWaalsContact O-N 3.07Å; Q31-G35 WeakPolarHBondContact O-CA 3.46Å; Q31-G35 PolarHBondContact O-N 2.88Å
32D84.5Confident87Confident111 Ų11160.9 Ų60.959%0.59434%0.342SS*.Hα-helixtrans-64.8-40.2-178.3-66.2-19000112.1K28 A29K28-D32 WeakPolarHBondContact CE-OD2 3.35Å; K28-D32 PolarHBondContact O-N 3.31Å; A29-D32 PolarHBondContact O-N 3.45Å
33C86.5Confident87.1Confident78 Ų7861.3 Ų61.353%0.52734%0.342SS..Hα-helixtrans-84.4-25.5-177.6-66.80000114.8V13 A29V13-C33 HydrophobicContact CG2-CB 4.25Å; A29-C33 WeakPolarHBondContact O-CB 3.49Å; A29-C33 PolarHBondContact O-N 3.48Å; A29-C33 PolarHBondContact O-SG 2.9Å
34L88.8Confident87.1Confident55 Ų5564 Ų6429%0.28837%0.369SS..Hα-helixtrans-115.2-0.3-175.2-56.2172.6000113.5E9 V13 Y30 R36E9-L34 HydrophobicContact CB-CD1 3.88Å; E9-L34 HydrophobicContact CG-CD1 3.94Å; E9-L34 HydrophobicContact CG-CD2 4.5Å; V13-L34 HydrophobicContact CG2-CD1 4.19Å; V13-L34 HydrophobicContact CG2-CG 4.39Å; Y30-L34 HydrophobicContact CD1-CD1 4.24Å; Y30-L34 HydrophobicContact CD2-CD1 3.65Å; Y30-L34 HydrophobicContact CE1-CD1 4.01Å; Y30-L34 HydrophobicContact CE2-CD1 3.36Å; Y30-L34 HydrophobicContact CG-CD1 4.07Å; Y30-L34 VanDerWaalsContact O-CB 3.31Å; Y30-L34 WeakPolarHBondContact O-CB 3.44Å; Y30-L34 PolarHBondContact O-N 3.26Å; Y30-L34 VanDerWaalsContact O-N 3.14Å; L34-R36 HydrophobicContact CB-CG 4.38Å; L34-R36 PolarHBondContact O-N 3.13Å
35G84.7Confident87.4Confident74 Ų7462.1 Ų62.176%0.76336%0.359SS*.SBendtrans68.111.517800000115Q31Q31-G35 WeakPolarHBondContact O-CA 3.46Å; Q31-G35 PolarHBondContact O-N 2.88Å
36R89.1Confident87.1Confident71 Ų7164.8 Ų64.827%0.26837%0.368SS..SBendtrans-150142.9-174.562.4-178.1-178.966.4-2.9113M1 E9 Y30 L34M1-R36 VanDerWaalsContact CE-NH2 3.26Å; E9-R36 IonicContact OE1-CZ 3.88Å; E9-R36 IonicContact OE1-NH2 2.79Å; E9-R36 PolarHBondContact OE1-NH2 2.71Å; E9-R36 IonicContact OE2-CZ 3.65Å; E9-R36 IonicContact OE2-NH1 2.69Å; E9-R36 IonicContact OE2-NH2 3.65Å; E9-R36 PolarHBondContact OE2-NH2 2.65Å; Y30-R36 PolarHBondContact OH-NH1 3.41Å; Y30-R36 PolarHBondContact OH-NH2 3.37Å; L34-R36 HydrophobicContact CB-CG 4.38Å; L34-R36 PolarHBondContact O-N 3.13Å
37P86Confident86.8Confident82 Ų8266.4 Ų66.453%0.53238%0.377SS..  trans-67.5153-177.528.1-35.7000112.9D39P37-D39 PolarHBondContact O-N 2.86Å
38L87.9Confident86.7Confident17 Ų1765.6 Ų65.69%0.08937%0.371CS..  trans-78.685.3174.5-174.270.7000110.8F26 V27 Y30 L40 L43 L51F26-L38 HydrophobicContact CD1-CD2 4.33Å; F26-L38 HydrophobicContact CE1-CD2 3.75Å; V27-L38 HydrophobicContact CG2-CD2 3.88Å; Y30-L38 HydrophobicContact CD1-CB 3.68Å; Y30-L38 HydrophobicContact CD1-CD1 3.98Å; Y30-L38 HydrophobicContact CD1-CG 4.41Å; Y30-L38 HydrophobicContact CD2-CD1 4.08Å; Y30-L38 HydrophobicContact CE1-CB 3.95Å; Y30-L38 HydrophobicContact CE1-CD1 3.68Å; Y30-L38 HydrophobicContact CE1-CG 4.43Å; Y30-L38 HydrophobicContact CE2-CD1 3.8Å; Y30-L38 HydrophobicContact CG-CB 4.23Å; Y30-L38 HydrophobicContact CG-CD1 4.17Å; L38-L40 VanDerWaalsContact C-N 3.34Å; L38-L40 HydrophobicContact CD2-CD2 3.82Å; L38-L40 HydrophobicContact CD2-CG 4.4Å; L38-L40 HydrophobicContact CG-CD2 4.01Å; L38-L40 HydrophobicContact CG-CG 4.36Å; L38-L40 PolarHBondContact O-N 3.06Å; L38-L43 HydrophobicContact CD1-CD1 4.04Å; L38-L51 HydrophobicContact CD1-CD2 4.04Å; L38-L51 HydrophobicContact CD2-CD2 3.79Å; L38-L51 HydrophobicContact CG-CD2 4.33Å
39D87.4Confident86.5Confident62 Ų6261.7 Ų61.733%0.33236%0.355SS..  trans-72.985.1175.6-176.9-6.5000111.6P37 A41 R42 L43P37-D39 PolarHBondContact O-N 2.86Å; D39-A41 VanDerWaalsContact C-N 3.25Å; D39-A41 PolarHBondContact O-N 3.39Å; D39-A41 PolarHBondContact OD1-N 3.01Å; D39-R42 HydrophobicContact CB-CB 4.21Å; D39-R42 PolarHBondContact O-N 3.46Å; D39-R42 WeakPolarHBondContact OD1-CB 3.34Å; D39-R42 PolarHBondContact OD1-N 2.85Å; D39-R42 WeakPolarHBondContact OD2-CB 3.48Å; D39-R42 IonicContact OD2-CZ 3.99Å; D39-R42 IonicContact OD2-NE 3.2Å; D39-R42 PolarHBondContact OD2-NE 2.85Å; D39-L43 VanDerWaalsContact O-CG 3.31Å; D39-L43 WeakPolarHBondContact O-CG 3.18Å; D39-L43 PolarHBondContact O-N 2.65Å
40L88.4Confident86.6Confident36 Ų3662.5 Ų62.519%0.18836%0.362CS..THydrogen-bonded Turntrans-57.9-36.7177.7-65172.4000112.4L38 L43 G44 Y45 I48 L51L38-L40 VanDerWaalsContact C-N 3.34Å; L38-L40 HydrophobicContact CD2-CD2 3.82Å; L38-L40 HydrophobicContact CD2-CG 4.4Å; L38-L40 HydrophobicContact CG-CD2 4.01Å; L38-L40 HydrophobicContact CG-CG 4.36Å; L38-L40 PolarHBondContact O-N 3.06Å; L40-L43 CarbonylContact O-C 3.59Å; L40-L43 PolarHBondContact O-N 3.46Å; L40-G44 PolarHBondContact O-N 3.16Å; L40-Y45 CarbonylContact C-O 3.55Å; L40-Y45 PolarHBondContact O-N 3.03Å; L40-I48 HydrophobicContact CD1-CG1 4.1Å; L40-L51 HydrophobicContact CD2-CB 4.08Å; L40-L51 HydrophobicContact CD2-CD2 3.68Å; L40-L51 HydrophobicContact CD2-CG 4.49Å
41A84.2Confident86.5Confident83 Ų8362.4 Ų62.469%0.68636%0.362SS*.THydrogen-bonded Turntrans-67.1-46.4-17700000111.5D39 L43 G44D39-A41 VanDerWaalsContact C-N 3.25Å; D39-A41 PolarHBondContact O-N 3.39Å; D39-A41 PolarHBondContact OD1-N 3.01Å; A41-L43 PolarHBondContact O-N 3.08Å; A41-G44 PolarHBondContact O-N 3.46Å
42R85.6Confident86.5Confident174 Ų17458.2 Ų58.266%0.65734%0.342SS*.THydrogen-bonded Turntrans-68.7-20.4174.4-175.3176.762.4152.63113.5D39D39-R42 HydrophobicContact CB-CB 4.21Å; D39-R42 PolarHBondContact O-N 3.46Å; D39-R42 WeakPolarHBondContact OD1-CB 3.34Å; D39-R42 PolarHBondContact OD1-N 2.85Å; D39-R42 WeakPolarHBondContact OD2-CB 3.48Å; D39-R42 IonicContact OD2-CZ 3.99Å; D39-R42 IonicContact OD2-NE 3.2Å; D39-R42 PolarHBondContact OD2-NE 2.85Å
43L86.3Confident86.7Confident35 Ų3555 Ų5518%0.18333%0.33CS..THydrogen-bonded Turntrans-87.1-6171.2-65.4177.6000113.4M1 L6 L38 D39 L40 A41 Y45M1-L43 HydrophobicContact CB-CD2 4.25Å; M1-L43 HydrophobicContact CE-CD2 4.1Å; M1-L43 HydrophobicContact SD-CD2 4.26Å; L6-L43 HydrophobicContact CD1-CD1 3.81Å; L6-L43 HydrophobicContact CD2-CD1 3.98Å; L6-L43 HydrophobicContact CD2-CD2 4.09Å; L6-L43 HydrophobicContact CD2-CG 4.49Å; L38-L43 HydrophobicContact CD1-CD1 4.04Å; D39-L43 VanDerWaalsContact O-CG 3.31Å; D39-L43 WeakPolarHBondContact O-CG 3.18Å; D39-L43 PolarHBondContact O-N 2.65Å; L40-L43 CarbonylContact O-C 3.59Å; L40-L43 PolarHBondContact O-N 3.46Å; A41-L43 PolarHBondContact O-N 3.08Å; L43-Y45 HydrophobicContact CB-CD2 3.65Å; L43-Y45 HydrophobicContact CB-CE2 4.03Å; L43-Y45 VanDerWaalsContact O-CD2 3.25Å; L43-Y45 WeakPolarHBondContact O-CD2 3.44Å; L43-Y45 VanDerWaalsContact O-CE2 3.23Å; L43-Y45 WeakPolarHBondContact O-CE2 3.49Å
44G87Confident86.8Confident65 Ų6552.5 Ų52.567%0.6731%0.314SS*.THydrogen-bonded Turntrans82.211.6179.700000115.2L40 A41L40-G44 PolarHBondContact O-N 3.16Å; A41-G44 PolarHBondContact O-N 3.46Å
45Y87Confident86.9Confident50 Ų5049.9 Ų49.920%0.19630%0.3CS..  trans-102.7146.9-177.5-61.7-77.1000113L6 L40 L43 A50 L51 S54L6-Y45 HydrophobicContact CD2-CE2 4.22Å; L40-Y45 CarbonylContact C-O 3.55Å; L40-Y45 PolarHBondContact O-N 3.03Å; L43-Y45 HydrophobicContact CB-CD2 3.65Å; L43-Y45 HydrophobicContact CB-CE2 4.03Å; L43-Y45 VanDerWaalsContact O-CD2 3.25Å; L43-Y45 WeakPolarHBondContact O-CD2 3.44Å; L43-Y45 VanDerWaalsContact O-CE2 3.23Å; L43-Y45 WeakPolarHBondContact O-CE2 3.49Å; Y45-A50 WeakPolarHBondContact CD1-O 3.31Å; Y45-L51 VanDerWaalsContact CD1-CA 3.47Å; Y45-L51 HydrophobicContact CD1-CB 4.13Å; Y45-L51 HydrophobicContact CD2-CB 4.13Å; Y45-L51 HydrophobicContact CD2-CD1 3.58Å; Y45-L51 HydrophobicContact CD2-CG 4.43Å; Y45-L51 HydrophobicContact CE1-CD1 4.49Å; Y45-L51 HydrophobicContact CE2-CD1 3.51Å; Y45-L51 HydrophobicContact CG-CB 3.81Å; Y45-L51 HydrophobicContact CG-CD1 4.13Å; Y45-S54 WeakPolarHBondContact CE1-OG 3.2Å; Y45-S54 VanDerWaalsContact CZ-OG 3.23Å; Y45-S54 PolarHBondContact OH-OG 2.81Å
46K78.7Confident87.1Confident102 Ų10250.2 Ų50.244%0.44329%0.289SS..SBendtrans-82.5-31.4-172.9-75.8164.9161.9-129.90114.1A50 G227 R228K46-A50 HydrophobicContact CB-CB 4.3Å; K46-G227 WeakPolarHBondContact CD-O 3.42Å; K46-G227 WeakPolarHBondContact CE-O 3.45Å; K46-G227 WeakPolarHBondContact CG-O 3.42Å; K46-G227 PolarHBondContact NZ-O 3.36Å; K46-R228 WeakPolarHBondContact CE-O 3.38Å; K46-R228 PolarHBondContact NZ-O 2.98Å
47N84.5Confident87Confident35 Ų3550.3 Ų50.319%0.18730%0.295CS..SBendtrans-167.7175.2-177.852.844000107.8D49 A50 L51 C225N47-D49 VanDerWaalsContact C-N 3.33Å; N47-D49 PolarHBondContact O-N 3.04Å; N47-D49 PolarHBondContact OD1-N 3.1Å; N47-A50 PolarHBondContact O-N 2.83Å; N47-A50 VanDerWaalsContact OD1-CB 3.25Å; N47-A50 WeakPolarHBondContact OD1-CB 3.44Å; N47-A50 PolarHBondContact OD1-N 2.92Å; N47-L51 PolarHBondContact O-N 3.32Å; N47-C225 PolarHBondContact ND2-O 2.93Å
48I87.3Confident87.2Confident27 Ų2746.5 Ų46.514%0.13827%0.27CS..Hα-helixtrans-63.6-40.2-177.5-54.4155.7000110.8G23 F26 V27 L40 A50 L51 M52 Y68G23-I48 WeakPolarHBondContact O-CD1 3.38Å; F26-I48 HydrophobicContact CD1-CG2 4.2Å; V27-I48 HydrophobicContact CG2-CD1 3.52Å; V27-I48 HydrophobicContact CG2-CG1 3.79Å; L40-I48 HydrophobicContact CD1-CG1 4.1Å; I48-A50 PolarHBondContact O-N 3.42Å; I48-L51 WeakPolarHBondContact O-CB 3.26Å; I48-L51 PolarHBondContact O-N 2.92Å; I48-M52 HydrophobicContact CG2-CE 4.24Å; I48-M52 HydrophobicContact CG2-CG 4.18Å; I48-M52 VanDerWaalsContact O-CG 3.25Å; I48-M52 WeakPolarHBondContact O-CG 3.2Å; I48-M52 PolarHBondContact O-N 3.13Å; I48-Y68 HydrophobicContact CG2-CD2 4.49Å; I48-Y68 HydrophobicContact CG2-CE2 3.95Å
49D84.4Confident87.2Confident35 Ų3545.9 Ų45.919%0.18727%0.267CS..Hα-helixtrans-64.1-41.2-178.9-172.550.6000112.4N47 L51 M52 A53 R61 Y68N47-D49 VanDerWaalsContact C-N 3.33Å; N47-D49 PolarHBondContact O-N 3.04Å; N47-D49 PolarHBondContact OD1-N 3.1Å; D49-L51 VanDerWaalsContact C-N 3.32Å; D49-L51 PolarHBondContact O-N 2.84Å; D49-M52 PolarHBondContact O-N 3.32Å; D49-A53 WeakPolarHBondContact O-CB 3.28Å; D49-A53 PolarHBondContact O-N 2.8Å; D49-R61 IonicContact OD1-CZ 2.8Å; D49-R61 IonicContact OD1-NE 3.73Å; D49-R61 PolarHBondContact OD1-NE 2.9Å; D49-R61 IonicContact OD1-NH2 3.96Å; D49-R61 PolarHBondContact OD1-NH2 3.45Å; D49-R61 IonicContact OD2-CZ 3.7Å; D49-R61 IonicContact OD2-NH2 3.59Å; D49-R61 PolarHBondContact OD2-NH2 3.15Å; D49-Y68 WeakPolarHBondContact CA-OH 3.42Å; D49-Y68 WeakPolarHBondContact CB-OH 3.36Å
50A87Confident87.1Confident31 Ų3143.8 Ų43.826%0.25626%0.255SS..Hα-helixtrans-66-32.5175.300000113Y45 K46 N47 I48Y45-A50 WeakPolarHBondContact CD1-O 3.31Å; K46-A50 HydrophobicContact CB-CB 4.3Å; N47-A50 PolarHBondContact O-N 2.83Å; N47-A50 VanDerWaalsContact OD1-CB 3.25Å; N47-A50 WeakPolarHBondContact OD1-CB 3.44Å; N47-A50 PolarHBondContact OD1-N 2.92Å; I48-A50 PolarHBondContact O-N 3.42Å
51L91.3Very high86.8Confident0 Ų045.4 Ų45.40%026%0.259CS..Hα-helixtrans-63.8-55.3169.6165.767.1000110L6 L10 L38 L40 Y45 N47 I48 D49 A53 S54 F55L6-L51 HydrophobicContact CD2-CD1 3.92Å; L10-L51 HydrophobicContact CD1-CD1 4.12Å; L10-L51 HydrophobicContact CD1-CG 4.32Å; L10-L51 HydrophobicContact CD2-CD2 4.04Å; L10-L51 HydrophobicContact CD2-CG 4.45Å; L38-L51 HydrophobicContact CD1-CD2 4.04Å; L38-L51 HydrophobicContact CD2-CD2 3.79Å; L38-L51 HydrophobicContact CG-CD2 4.33Å; L40-L51 HydrophobicContact CD2-CB 4.08Å; L40-L51 HydrophobicContact CD2-CD2 3.68Å; L40-L51 HydrophobicContact CD2-CG 4.49Å; Y45-L51 VanDerWaalsContact CD1-CA 3.47Å; Y45-L51 HydrophobicContact CD1-CB 4.13Å; Y45-L51 HydrophobicContact CD2-CB 4.13Å; Y45-L51 HydrophobicContact CD2-CD1 3.58Å; Y45-L51 HydrophobicContact CD2-CG 4.43Å; Y45-L51 HydrophobicContact CE1-CD1 4.49Å; Y45-L51 HydrophobicContact CE2-CD1 3.51Å; Y45-L51 HydrophobicContact CG-CB 3.81Å; Y45-L51 HydrophobicContact CG-CD1 4.13Å; N47-L51 PolarHBondContact O-N 3.32Å; I48-L51 WeakPolarHBondContact O-CB 3.26Å; I48-L51 PolarHBondContact O-N 2.92Å; D49-L51 VanDerWaalsContact C-N 3.32Å; D49-L51 PolarHBondContact O-N 2.84Å; L51-A53 VanDerWaalsContact C-N 3.31Å; L51-A53 PolarHBondContact O-N 3.15Å; L51-S54 WeakPolarHBondContact O-CB 3.27Å; L51-S54 PolarHBondContact O-N 2.69Å; L51-S54 PolarHBondContact O-OG 2.82Å; L51-F55 HydrophobicContact CD1-CD2 4.28Å; L51-F55 HydrophobicContact CD1-CE2 3.93Å; L51-F55 WeakPolarHBondContact O-CD2 3.46Å
52M91Very high86.1Confident0 Ų042.1 Ų42.10%023%0.229CC..Hα-helixtrans-61.8-37.1-177.6-65.5-63.6-165.200112.5L14 F26 I48 D49 S54 F55 V59 R61 Y68L14-M52 HydrophobicContact CD1-CE 4.01Å; L14-M52 HydrophobicContact CD1-SD 4.01Å; L14-M52 HydrophobicContact CD2-CE 4.12Å; L14-M52 HydrophobicContact CG-CE 4.35Å; F26-M52 HydrophobicContact CB-CE 4.43Å; F26-M52 HydrophobicContact CD1-CE 3.31Å; F26-M52 HydrophobicContact CD2-CE 3.71Å; F26-M52 HydrophobicContact CE1-CE 3.36Å; F26-M52 HydrophobicContact CE2-CE 3.76Å; F26-M52 HydrophobicContact CG-CE 3.5Å; F26-M52 VanDerWaalsContact CG-CE 3.5Å; F26-M52 HydrophobicContact CZ-CE 3.6Å; I48-M52 HydrophobicContact CG2-CE 4.24Å; I48-M52 HydrophobicContact CG2-CG 4.18Å; I48-M52 VanDerWaalsContact O-CG 3.25Å; I48-M52 WeakPolarHBondContact O-CG 3.2Å; I48-M52 PolarHBondContact O-N 3.13Å; D49-M52 PolarHBondContact O-N 3.32Å; M52-S54 PolarHBondContact O-N 2.89Å; M52-F55 PolarHBondContact O-N 2.9Å; M52-V59 HydrophobicContact CB-CG1 4.14Å; M52-V59 HydrophobicContact CG-CG1 4.41Å; M52-V59 HydrophobicContact SD-CB 4.41Å; M52-V59 HydrophobicContact SD-CG1 3.83Å; M52-V59 HydrophobicContact SD-CG2 3.77Å; M52-R61 HydrophobicContact CB-CG 4.23Å; M52-Y68 HydrophobicContact CB-CD1 3.63Å; M52-Y68 HydrophobicContact CB-CE1 3.71Å; M52-Y68 HydrophobicContact CB-CG 4.49Å; M52-Y68 HydrophobicContact CE-CD2 4.25Å; M52-Y68 HydrophobicContact CE-CG 4Å; M52-Y68 HydrophobicContact CG-CD1 3.46Å; M52-Y68 VanDerWaalsContact CG-CD1 3.46Å; M52-Y68 HydrophobicContact CG-CD2 4.41Å; M52-Y68 HydrophobicContact CG-CE1 3.68Å; M52-Y68 HydrophobicContact CG-CG 3.86Å; M52-Y68 HydrophobicContact SD-CD1 4.38Å; M52-Y68 HydrophobicContact SD-CG 4.37Å
53A87.5Confident84.6Confident42 Ų4237.4 Ų37.435%0.34722%0.217SC..Hα-helixtrans-62.8-21.7175.800000113.3D49 L51D49-A53 WeakPolarHBondContact O-CB 3.28Å; D49-A53 PolarHBondContact O-N 2.8Å; L51-A53 VanDerWaalsContact C-N 3.31Å; L51-A53 PolarHBondContact O-N 3.15Å
54S89.8Confident83.2Confident26 Ų2636 Ų3618%0.18221%0.211CC..THydrogen-bonded Turntrans-88.2-3.6179.178.70000114.6R3 Y45 L51 M52R3-S54 PolarHBondContact NH2-O 2.93Å; Y45-S54 WeakPolarHBondContact CE1-OG 3.2Å; Y45-S54 VanDerWaalsContact CZ-OG 3.23Å; Y45-S54 PolarHBondContact OH-OG 2.81Å; L51-S54 WeakPolarHBondContact O-CB 3.27Å; L51-S54 PolarHBondContact O-N 2.69Å; L51-S54 PolarHBondContact O-OG 2.82Å; M52-S54 PolarHBondContact O-N 2.89Å
55F91Very high81.8Confident1 Ų134.2 Ų34.20%0.00419%0.187CC..  trans-125.854.1175.6-65.1-80.9000112.1R3 L6 K7 L10 L51 M52 D57 V58 V59R3-F55 HydrophobicContact CG-CE1 3.69Å; R3-F55 HydrophobicContact CG-CZ 3.84Å; L6-F55 HydrophobicContact CB-CZ 4.42Å; L6-F55 HydrophobicContact CD2-CE2 3.82Å; L6-F55 HydrophobicContact CD2-CZ 3.87Å; L6-F55 HydrophobicContact CG-CE2 4.17Å; L6-F55 HydrophobicContact CG-CZ 4.11Å; K7-F55 HydrophobicContact CB-CD1 3.98Å; K7-F55 HydrophobicContact CB-CE1 3.76Å; K7-F55 HydrophobicContact CD-CD1 4.43Å; K7-F55 HydrophobicContact CG-CD1 4.06Å; K7-F55 HydrophobicContact CG-CE1 4.3Å; L10-F55 HydrophobicContact CD1-CB 4.23Å; L10-F55 HydrophobicContact CD1-CD2 3.36Å; L10-F55 HydrophobicContact CD1-CE2 3.83Å; L10-F55 HydrophobicContact CD1-CG 3.87Å; L51-F55 HydrophobicContact CD1-CD2 4.28Å; L51-F55 HydrophobicContact CD1-CE2 3.93Å; L51-F55 WeakPolarHBondContact O-CD2 3.46Å; M52-F55 PolarHBondContact O-N 2.9Å; F55-D57 VanDerWaalsContact C-OD1 3.23Å; F55-D57 WeakPolarHBondContact CA-OD1 3.48Å; F55-D57 PolarHBondContact O-N 2.86Å; F55-D57 VanDerWaalsContact O-N 3.13Å; F55-V58 HydrophobicContact CB-CB 4.36Å; F55-V58 PolarHBondContact O-N 3.48Å; F55-V59 HydrophobicContact CB-CG2 4.17Å; F55-V59 PolarHBondContact O-N 3.1Å
56P87.6Confident81.1Confident81 Ų8135.2 Ų35.253%0.52619%0.192SC..THydrogen-bonded Turntrans-69.4-7.8-177.933.6-38.4000113.5K71P56-K71 WeakPolarHBondContact O-CD 3.39Å; P56-K71 VanDerWaalsContact O-CE 3.25Å; P56-K71 WeakPolarHBondContact O-CE 3.38Å; P56-K71 PolarHBondContact O-NZ 3.4Å
57D87.6Confident81Confident73 Ų7330.3 Ų30.339%0.3917%0.171SC..THydrogen-bonded Turntrans-81.4-16.9171.161.1-35.2000113K7 F55K7-D57 WeakPolarHBondContact CE-OD2 3.47Å; K7-D57 IonicContact NZ-OD2 3.9Å; K7-D57 PolarHBondContact NZ-OD2 2.78Å; F55-D57 VanDerWaalsContact C-OD1 3.23Å; F55-D57 WeakPolarHBondContact CA-OD1 3.48Å; F55-D57 PolarHBondContact O-N 2.86Å; F55-D57 VanDerWaalsContact O-N 3.13Å
58V89Confident81.1Confident1 Ų129 Ų291%0.00616%0.163CC..THydrogen-bonded Turntrans-123.4-26.9-174.1164.40000112.8K7 H11 F55 K71 L73K7-V58 HydrophobicContact CD-CG2 4.11Å; K7-V58 HydrophobicContact CG-CB 4.48Å; K7-V58 HydrophobicContact CG-CG2 3.57Å; H11-V58 HydrophobicContact CB-CG1 3.71Å; F55-V58 HydrophobicContact CB-CB 4.36Å; F55-V58 PolarHBondContact O-N 3.48Å; V58-K71 PolarHBondContact O-N 2.8Å; V58-L73 HydrophobicContact CG2-CD1 4.44Å
59V89.8Confident81.1Confident5 Ų529.5 Ų29.53%0.0317%0.165CC..EExtended strand (participates in β ladder)trans-115.8128.4-174.1-170.20000111.2L14 M52 F55 R61 Y68L14-V59 HydrophobicContact CD1-CB 4.34Å; L14-V59 HydrophobicContact CD1-CG1 3.89Å; L14-V59 HydrophobicContact CD1-CG2 3.75Å; M52-V59 HydrophobicContact CB-CG1 4.14Å; M52-V59 HydrophobicContact CG-CG1 4.41Å; M52-V59 HydrophobicContact SD-CB 4.41Å; M52-V59 HydrophobicContact SD-CG1 3.83Å; M52-V59 HydrophobicContact SD-CG2 3.77Å; F55-V59 HydrophobicContact CB-CG2 4.17Å; F55-V59 PolarHBondContact O-N 3.1Å; V59-R61 HydrophobicContact CG1-CG 4.21Å; V59-Y68 HydrophobicContact CG1-CD1 4.4Å
60E84Confident81.4Confident18 Ų1828.1 Ų28.18%0.08416%0.158CC..EExtended strand (participates in β ladder)trans-84.2122160.8-58-173.8-159.900108Y62 Y68 K69 K71 P101E60-Y62 HydrophobicContact CB-CE1 4.05Å; E60-Y62 PolarHBondContact OE2-OH 2.75Å; E60-Y68 WeakPolarHBondContact O-CA 3.33Å; E60-K69 HydrophobicContact CB-CB 4.26Å; E60-K69 PolarHBondContact N-O 3.03Å; E60-K69 PolarHBondContact O-N 2.75Å; E60-K69 IonicContact OE1-NZ 3.35Å; E60-K69 PolarHBondContact OE1-NZ 3.34Å; E60-K69 WeakPolarHBondContact OE2-CD 3.15Å; E60-K69 IonicContact OE2-NZ 3.07Å; E60-K69 PolarHBondContact OE2-NZ 2.87Å; E60-K71 HydrophobicContact CG-CB 4.38Å; E60-K71 HydrophobicContact CG-CD 4.43Å; E60-K71 HydrophobicContact CG-CG 3.39Å; E60-P101 HydrophobicContact CB-CB 3.98Å; E60-P101 HydrophobicContact CB-CG 4.01Å; E60-P101 HydrophobicContact CG-CB 4.28Å; E60-P101 HydrophobicContact CG-CG 3.77Å
61R83.3Confident81.4Confident70 Ų7029.7 Ų29.726%0.26416%0.159SC..EExtended strand (participates in β ladder)trans-108.8135.2176-79.2172.467.6-121.54.2109.6D49 M52 V59 Y68D49-R61 IonicContact OD1-CZ 2.8Å; D49-R61 IonicContact OD1-NE 3.73Å; D49-R61 PolarHBondContact OD1-NE 2.9Å; D49-R61 IonicContact OD1-NH2 3.96Å; D49-R61 PolarHBondContact OD1-NH2 3.45Å; D49-R61 IonicContact OD2-CZ 3.7Å; D49-R61 IonicContact OD2-NH2 3.59Å; D49-R61 PolarHBondContact OD2-NH2 3.15Å; M52-R61 HydrophobicContact CB-CG 4.23Å; V59-R61 HydrophobicContact CG1-CG 4.21Å; R61-Y68 HydrophobicContact CG-CD1 3.88Å; R61-Y68 HydrophobicContact CG-CE1 4.13Å
62Y68.6Low80.8Confident13 Ų1333.3 Ų33.35%0.05118%0.181CC..EExtended strand (participates in β ladder)trans-113.392.8176.3-48.7-53.8000109.9E60 G64 V65 V67 K69 L99 R100 P101E60-Y62 HydrophobicContact CB-CE1 4.05Å; E60-Y62 PolarHBondContact OE2-OH 2.75Å; Y62-G64 PolarHBondContact O-N 2.64Å; Y62-V65 PolarHBondContact O-N 3.42Å; Y62-V67 HydrophobicContact CD2-CB 3.96Å; Y62-V67 HydrophobicContact CD2-CG1 3.81Å; Y62-V67 WeakPolarHBondContact CD2-O 3.49Å; Y62-V67 HydrophobicContact CE2-CG1 4.22Å; Y62-V67 PolarHBondContact N-O 3.32Å; Y62-V67 VanDerWaalsContact N-O 3.13Å; Y62-K69 HydrophobicContact CE2-CB 4.02Å; Y62-K69 HydrophobicContact CE2-CD 4.4Å; Y62-K69 WeakPolarHBondContact OH-CD 3.12Å; Y62-L99 HydrophobicContact CD1-CB 3.83Å; Y62-L99 HydrophobicContact CD2-CB 3.48Å; Y62-L99 VanDerWaalsContact CD2-CB 3.48Å; Y62-L99 HydrophobicContact CD2-CD1 3.35Å; Y62-L99 HydrophobicContact CD2-CG 4.03Å; Y62-L99 HydrophobicContact CE1-CB 3.89Å; Y62-L99 HydrophobicContact CE2-CB 3.47Å; Y62-L99 VanDerWaalsContact CE2-CB 3.47Å; Y62-L99 HydrophobicContact CE2-CD1 3.99Å; Y62-L99 HydrophobicContact CE2-CG 4.36Å; Y62-L99 HydrophobicContact CG-CB 3.63Å; Y62-L99 HydrophobicContact CG-CD1 3.8Å; Y62-L99 HydrophobicContact CG-CG 4.28Å; Y62-L99 PolarHBondContact OH-O 2.83Å; Y62-R100 WeakPolarHBondContact CD1-O 3.22Å; Y62-P101 HydrophobicContact CD1-CB 4.41Å; Y62-P101 HydrophobicContact CE1-CB 3.9Å; Y62-P101 HydrophobicContact CE1-CG 4.41Å
63N55.1Low80.5Confident76 Ų7636.2 Ų36.241%0.40620%0.196SC..THydrogen-bonded Turntrans-56.3134.1175-59.6-5.3000108.9
64G55.3Low80.1Confident6 Ų639.2 Ų39.26%0.06222%0.221CC..THydrogen-bonded Turntrans98.8-7.3-172.300000115.6Y62 Y222Y62-G64 PolarHBondContact O-N 2.64Å; G64-Y222 WeakPolarHBondContact O-CE1 3.16Å
65V58.4Low79.6Confident27 Ų2742.7 Ų42.716%0.16425%0.252CS..THydrogen-bonded Turntrans-141-10.4-177.8-144.20000115.1Y62 V67 F96 L99 L489Y62-V65 PolarHBondContact O-N 3.42Å; V65-V67 HydrophobicContact CB-CB 4.37Å; V65-V67 HydrophobicContact CB-CG2 3.89Å; V65-V67 HydrophobicContact CG1-CG2 3.78Å; V65-V67 PolarHBondContact O-N 3.15Å; V65-F96 HydrophobicContact CG1-CD1 3.85Å; V65-F96 HydrophobicContact CG1-CE1 3.54Å; V65-F96 HydrophobicContact CG1-CZ 4.48Å; V65-L99 HydrophobicContact CG2-CD1 4.46Å; V65-L489 HydrophobicContact CG2-CD2 3.54Å
66F71.3Confident79.2Confident70 Ų7043.7 Ų43.731%0.30726%0.258SS..THydrogen-bonded Turntrans50.735-170-59.6-71.8000113.7G23 Y68 C225G23-F66 PolarHBondContact N-O 2.83Å; F66-Y68 WeakPolarHBondContact O-CE2 3.33Å; F66-C225 VanDerWaalsContact CZ-SG 3.57Å
67V78.2Confident78.9Confident0 Ų045.5 Ų45.50%026%0.258CS..EExtended strand (participates in β ladder)trans-98.6135.1174.9177.10000109.8A21 Y62 V65 F96 L99A21-V67 CarbonylContact O-C 3.56Å; A21-V67 VanDerWaalsContact O-CA 3.29Å; A21-V67 WeakPolarHBondContact O-CA 3.4Å; Y62-V67 HydrophobicContact CD2-CB 3.96Å; Y62-V67 HydrophobicContact CD2-CG1 3.81Å; Y62-V67 WeakPolarHBondContact CD2-O 3.49Å; Y62-V67 HydrophobicContact CE2-CG1 4.22Å; Y62-V67 PolarHBondContact N-O 3.32Å; Y62-V67 VanDerWaalsContact N-O 3.13Å; V65-V67 HydrophobicContact CB-CB 4.37Å; V65-V67 HydrophobicContact CB-CG2 3.89Å; V65-V67 HydrophobicContact CG1-CG2 3.78Å; V65-V67 PolarHBondContact O-N 3.15Å; V67-F96 HydrophobicContact CG1-CB 4.48Å; V67-F96 HydrophobicContact CG2-CB 4.46Å; V67-F96 HydrophobicContact CG2-CD1 3.77Å; V67-F96 HydrophobicContact CG2-CD2 3.87Å; V67-F96 HydrophobicContact CG2-CE1 3.89Å; V67-F96 HydrophobicContact CG2-CE2 3.98Å; V67-F96 HydrophobicContact CG2-CG 3.76Å; V67-F96 HydrophobicContact CG2-CZ 3.99Å; V67-L99 HydrophobicContact CB-CD1 4.01Å; V67-L99 HydrophobicContact CG1-CD1 3.98Å; V67-L99 HydrophobicContact CG2-CD1 4.37Å
68Y86.3Confident78.6Confident6 Ų648.4 Ų48.42%0.02427%0.273CS..EExtended strand (participates in β ladder)trans-122.3139.8-177.3-47.6-74.2000109.8G20 A21 I48 D49 M52 V59 E60 R61 F66G20-Y68 CarbonylContact C-O 3.52Å; G20-Y68 WeakPolarHBondContact CA-O 3.41Å; A21-Y68 PolarHBondContact N-O 3.09Å; A21-Y68 PolarHBondContact O-N 3.27Å; I48-Y68 HydrophobicContact CG2-CD2 4.49Å; I48-Y68 HydrophobicContact CG2-CE2 3.95Å; D49-Y68 WeakPolarHBondContact CA-OH 3.42Å; D49-Y68 WeakPolarHBondContact CB-OH 3.36Å; M52-Y68 HydrophobicContact CB-CD1 3.63Å; M52-Y68 HydrophobicContact CB-CE1 3.71Å; M52-Y68 HydrophobicContact CB-CG 4.49Å; M52-Y68 HydrophobicContact CE-CD2 4.25Å; M52-Y68 HydrophobicContact CE-CG 4Å; M52-Y68 HydrophobicContact CG-CD1 3.46Å; M52-Y68 VanDerWaalsContact CG-CD1 3.46Å; M52-Y68 HydrophobicContact CG-CD2 4.41Å; M52-Y68 HydrophobicContact CG-CE1 3.68Å; M52-Y68 HydrophobicContact CG-CG 3.86Å; M52-Y68 HydrophobicContact SD-CD1 4.38Å; M52-Y68 HydrophobicContact SD-CG 4.37Å; V59-Y68 HydrophobicContact CG1-CD1 4.4Å; E60-Y68 WeakPolarHBondContact O-CA 3.33Å; R61-Y68 HydrophobicContact CG-CD1 3.88Å; R61-Y68 HydrophobicContact CG-CE1 4.13Å; F66-Y68 WeakPolarHBondContact O-CE2 3.33Å
69K87.8Confident78.3Confident38 Ų3853 Ų5317%0.16530%0.297CS..EExtended strand (participates in β ladder)trans-143.1153.1179177.6-154.3166-154.70109.6E60 Y62E60-K69 HydrophobicContact CB-CB 4.26Å; E60-K69 PolarHBondContact N-O 3.03Å; E60-K69 PolarHBondContact O-N 2.75Å; E60-K69 IonicContact OE1-NZ 3.35Å; E60-K69 PolarHBondContact OE1-NZ 3.34Å; E60-K69 WeakPolarHBondContact OE2-CD 3.15Å; E60-K69 IonicContact OE2-NZ 3.07Å; E60-K69 PolarHBondContact OE2-NZ 2.87Å; Y62-K69 HydrophobicContact CE2-CB 4.02Å; Y62-K69 HydrophobicContact CE2-CD 4.4Å; Y62-K69 WeakPolarHBondContact OH-CD 3.12Å
70A89.2Confident77.9Confident6 Ų655.2 Ų55.25%0.0531%0.307CS..EExtended strand (participates in β ladder)trans-70.7132.4175.200000111.6L14 I15L14-A70 HydrophobicContact CB-CB 3.83Å; I15-A70 HydrophobicContact CB-CB 3.95Å
71K87.7Confident77.7Confident65 Ų6558.3 Ų58.328%0.28332%0.324SS..PPolyproline II helixtrans-66.4146.7163-78.2-170.4170.5-172.40110.2H11 P56 V58 E60 L73H11-K71 PolarHBondContact NE2-O 3.1Å; P56-K71 WeakPolarHBondContact O-CD 3.39Å; P56-K71 VanDerWaalsContact O-CE 3.25Å; P56-K71 WeakPolarHBondContact O-CE 3.38Å; P56-K71 PolarHBondContact O-NZ 3.4Å; V58-K71 PolarHBondContact O-N 2.8Å; E60-K71 HydrophobicContact CG-CB 4.38Å; E60-K71 HydrophobicContact CG-CD 4.43Å; E60-K71 HydrophobicContact CG-CG 3.39Å; K71-L73 PolarHBondContact O-N 3.35Å
72T79.5Confident77.6Confident76 Ų7660.3 Ų60.347%0.46634%0.339SS..PPolyproline II helixtrans-64.4119.6170.5-55.70000110.2Q80T72-Q80 VanDerWaalsContact OG1-CD 3.25Å; T72-Q80 PolarHBondContact OG1-NE2 3.15Å; T72-Q80 PolarHBondContact OG1-OE1 2.77Å
73L83.1Confident78Confident60 Ų6060.7 Ų60.731%0.31434%0.342SS..  trans-106.7149.8168.3-56.3176.3000109.3V58 K71 A75 T76 K77V58-L73 HydrophobicContact CG2-CD1 4.44Å; K71-L73 PolarHBondContact O-N 3.35Å; L73-A75 PolarHBondContact O-N 3.49Å; L73-T76 WeakPolarHBondContact CB-OG1 3.44Å; L73-T76 PolarHBondContact N-OG1 3.02Å; L73-T76 PolarHBondContact O-N 3.17Å; L73-T76 PolarHBondContact O-OG1 3.41Å; L73-T76 VanDerWaalsContact O-OG1 3.14Å; L73-K77 PolarHBondContact O-N 3.44Å; L73-K77 VanDerWaalsContact O-N 3.12Å
74A80.1Confident79Confident105 Ų10559.8 Ų59.887%0.86835%0.345SS*.THydrogen-bonded Turntrans-55.6-38-177.600000112.9T76A74-T76 VanDerWaalsContact C-N 3.28Å; A74-T76 PolarHBondContact O-N 3.25Å
75A79.2Confident80Confident99 Ų9967.1 Ų67.182%0.81838%0.378SS*.THydrogen-bonded Turntrans-70.9-16.517800000114.6L73L73-A75 PolarHBondContact O-N 3.49Å
76T81.7Confident80.8Confident22 Ų2270.8 Ų70.814%0.13539%0.393CS..THydrogen-bonded Turntrans-119.5-0.6-171.753.50000114.1H11 I15 L73 A74 N78 L79 Q80H11-T76 PolarHBondContact CE1-OG1 2.86Å; I15-T76 HydrophobicContact CD1-CG2 4.4Å; L73-T76 WeakPolarHBondContact CB-OG1 3.44Å; L73-T76 PolarHBondContact N-OG1 3.02Å; L73-T76 PolarHBondContact O-N 3.17Å; L73-T76 PolarHBondContact O-OG1 3.41Å; L73-T76 VanDerWaalsContact O-OG1 3.14Å; A74-T76 VanDerWaalsContact C-N 3.28Å; A74-T76 PolarHBondContact O-N 3.25Å; T76-N78 PolarHBondContact O-N 3.32Å; T76-L79 HydrophobicContact CG2-CD1 4.47Å; T76-L79 WeakPolarHBondContact O-CB 2.85Å; T76-L79 PolarHBondContact O-N 2.78Å; T76-Q80 PolarHBondContact O-N 3.37Å
77K82.8Confident80.5Confident120 Ų12077 Ų7752%0.52242%0.42SS..Hα-helixtrans-48.6-41.8175.6-173.4177.5-179.6179.80113.4L73 Q80 N81L73-K77 PolarHBondContact O-N 3.44Å; L73-K77 VanDerWaalsContact O-N 3.12Å; K77-Q80 PolarHBondContact O-N 3.38Å; K77-N81 PolarHBondContact O-N 2.95Å; K77-N81 PolarHBondContact O-OD1 2.99Å
78N81.4Confident79.4Confident134 Ų13481.8 Ų81.872%0.71745%0.445SS*.Hα-helixtrans-67.3-38.9179.9-66.11000112.5T76 L82T76-N78 PolarHBondContact O-N 3.32Å; N78-L82 PolarHBondContact O-N 3.3Å; N78-L82 VanDerWaalsContact O-N 3.17Å
79L82.7Confident77.5Confident96 Ų9685.4 Ų85.450%0.50347%0.471SS..Hα-helixtrans-66.4-42.5175-69.3168000110.9I15 T76 N81 L82 I83I15-L79 HydrophobicContact CD1-CB 3.97Å; T76-L79 HydrophobicContact CG2-CD1 4.47Å; T76-L79 WeakPolarHBondContact O-CB 2.85Å; T76-L79 PolarHBondContact O-N 2.78Å; L79-N81 PolarHBondContact O-N 3.5Å; L79-L82 PolarHBondContact O-N 3.42Å; L79-I83 WeakPolarHBondContact O-CB 3.32Å; L79-I83 VanDerWaalsContact O-CG1 3.3Å; L79-I83 WeakPolarHBondContact O-CG1 3.41Å; L79-I83 PolarHBondContact O-N 3.17Å
80Q80.2Confident75.4Confident53 Ų5388.9 Ų88.925%0.24850%0.5CS..Hα-helixtrans-61.6-43178.3-171.9-179.323.600112.2T72 T76 K77 I83 A84T72-Q80 VanDerWaalsContact OG1-CD 3.25Å; T72-Q80 PolarHBondContact OG1-NE2 3.15Å; T72-Q80 PolarHBondContact OG1-OE1 2.77Å; T76-Q80 PolarHBondContact O-N 3.37Å; K77-Q80 PolarHBondContact O-N 3.38Å; Q80-I83 PolarHBondContact O-N 3.35Å; Q80-A84 WeakPolarHBondContact O-CB 3.32Å; Q80-A84 PolarHBondContact O-N 2.73Å
81N79.9Confident73.3Confident83 Ų8397.8 Ų97.844%0.44454%0.538SS..Hα-helixtrans-59.7-46.7174-71.51.7000111K77 L79 I83 A84 H85K77-N81 PolarHBondContact O-N 2.95Å; K77-N81 PolarHBondContact O-OD1 2.99Å; L79-N81 PolarHBondContact O-N 3.5Å; N81-I83 VanDerWaalsContact C-N 3.33Å; N81-I83 PolarHBondContact O-N 2.82Å; N81-A84 PolarHBondContact O-N 3.21Å; N81-H85 PolarHBondContact O-CD2 2.86Å; N81-H85 PolarHBondContact O-N 2.73Å
82L80.7Confident71.1Confident111 Ų111100.5 Ų100.558%0.58156%0.556SS**Hα-helixtrans-62.7-38.6-179.9-169.7142.7000112.2N78 L79 H85 Q86N78-L82 PolarHBondContact O-N 3.3Å; N78-L82 VanDerWaalsContact O-N 3.17Å; L79-L82 PolarHBondContact O-N 3.42Å; L82-H85 PolarHBondContact O-N 2.78Å; L82-Q86 PolarHBondContact O-N 2.88Å
83I78.7Confident69.5Low22 Ų22102.4 Ų102.411%0.11356%0.557CS.*Hα-helixtrans-72.9-35.4176.2-67.3166.6000111.7I15 K18 L79 Q80 N81 H85 Q86I15-I83 HydrophobicContact CG1-CD1 4.24Å; I15-I83 WeakPolarHBondContact O-CD1 3.38Å; K18-I83 HydrophobicContact CB-CG2 4.05Å; L79-I83 WeakPolarHBondContact O-CB 3.32Å; L79-I83 VanDerWaalsContact O-CG1 3.3Å; L79-I83 WeakPolarHBondContact O-CG1 3.41Å; L79-I83 PolarHBondContact O-N 3.17Å; Q80-I83 PolarHBondContact O-N 3.35Å; N81-I83 VanDerWaalsContact C-N 3.33Å; N81-I83 PolarHBondContact O-N 2.82Å; I83-H85 VanDerWaalsContact C-N 3.26Å; I83-H85 PolarHBondContact O-N 2.79Å; I83-Q86 WeakPolarHBondContact O-CB 3.38Å; I83-Q86 PolarHBondContact O-N 2.87Å; I83-Q86 VanDerWaalsContact O-N 3.1Å
84A74.2Confident67.8Low56 Ų56102.6 Ų102.646%0.46356%0.559SS.*Hα-helixtrans-61.2-35.5174.200000112.2K18 Q80 N81K18-A84 VanDerWaalsContact CE-O 3.32Å; K18-A84 WeakPolarHBondContact CE-O 3.36Å; Q80-A84 WeakPolarHBondContact O-CB 3.32Å; Q80-A84 PolarHBondContact O-N 2.73Å; N81-A84 PolarHBondContact O-N 3.21Å
85H76.5Confident66.3Low161 Ų161104.9 Ų104.975%0.74555%0.549SS*.THydrogen-bonded Turntrans-81.9-4.4175.7-63.1-55.8000114.7N81 L82 I83 K87N81-H85 PolarHBondContact O-CD2 2.86Å; N81-H85 PolarHBondContact O-N 2.73Å; L82-H85 PolarHBondContact O-N 2.78Å; I83-H85 VanDerWaalsContact C-N 3.26Å; I83-H85 PolarHBondContact O-N 2.79Å; H85-K87 PolarHBondContact O-N 3.47Å
86Q76.9Confident64.8Low103 Ų103103 Ų10348%0.48152%0.522SS..SBendtrans-65.9128.1173.5-73.7178.5-15.400110.4K18 L82 I83 D88K18-Q86 PolarHBondContact NZ-O 2.69Å; L82-Q86 PolarHBondContact O-N 2.88Å; I83-Q86 WeakPolarHBondContact O-CB 3.38Å; I83-Q86 PolarHBondContact O-N 2.87Å; I83-Q86 VanDerWaalsContact O-N 3.1Å; Q86-D88 PolarHBondContact O-N 2.91Å
87K64.1Low62.5Low201 Ų201103.9 Ų103.987%0.87454%0.537SS*.PPolyproline II helixtrans-69.7117175.6-176.7176.7-177174.70109.2H85 S89H85-K87 PolarHBondContact O-N 3.47Å; K87-S89 PolarHBondContact O-N 3.08Å; K87-S89 VanDerWaalsContact O-N 3.15Å
88D55.9Low60.4Low101 Ų101104 Ų10454%0.5454%0.542SS..PPolyproline II helixtrans-62117.7-179.4-52.4-64.7000109.8K18 Q86 S90K18-D88 WeakPolarHBondContact CD-OD1 3.32Å; K18-D88 IonicContact NZ-OD1 2.69Å; K18-D88 PolarHBondContact NZ-OD1 2.98Å; K18-D88 IonicContact NZ-OD2 3.75Å; K18-D88 PolarHBondContact NZ-OD2 2.99Å; Q86-D88 PolarHBondContact O-N 2.91Å; D88-S90 PolarHBondContact O-N 3.16Å
89S45Very low58.2Low81 Ų8198.1 Ų98.157%0.56651%0.511SS*.PPolyproline II helixtrans-66.5133.5176.181.10000109K87 K91 N92K87-S89 PolarHBondContact O-N 3.08Å; K87-S89 VanDerWaalsContact O-N 3.15Å; S89-K91 PolarHBondContact O-N 2.79Å; S89-N92 PolarHBondContact O-N 3.03Å
90S44.5Very low56Low111 Ų11198.2 Ų98.278%0.77650%0.504SS*.THydrogen-bonded Turntrans-62-8.9-168.7520000115.2D88D88-S90 PolarHBondContact O-N 3.16Å
91K44.7Very low53.7Low193 Ų19397 Ų9784%0.83950%0.501SS*.THydrogen-bonded Turntrans-87.7-23.2176.9-64.9-175.1176.1-177.10114.1S89S89-K91 PolarHBondContact O-N 2.79Å
92N42.2Very low51.7Low123 Ų12398.8 Ų98.866%0.65852%0.515SS*.  trans-117.950-177.1-76.414.7000112.5S89 N94S89-N92 PolarHBondContact O-N 3.03Å; N92-N94 VanDerWaalsContact C-N 3.32Å; N92-N94 PolarHBondContact O-N 2.94Å
93K45.5Very low49.9Very low115 Ų115101.6 Ų101.650%0.553%0.525SS..  trans-70.584.1167-83.3-172.8162.2-165.50110.6K95 D350K93-K95 PolarHBondContact O-N 2.85Å; K93-D350 IonicContact NZ-OD1 2.65Å; K93-D350 PolarHBondContact NZ-OD1 2.87Å; K93-D350 IonicContact NZ-OD2 2.71Å
94N46.8Very low47.7Very low64 Ų64104 Ų10434%0.34256%0.556SS.*  trans-63.8118169-83.412.4000109.5N92 F96N92-N94 VanDerWaalsContact C-N 3.32Å; N92-N94 PolarHBondContact O-N 2.94Å; N94-F96 HydrophobicContact CB-CD2 4.32Å; N94-F96 PolarHBondContact O-N 2.82Å
95K49.5Very low45.7Very low154 Ų154112.4 Ų112.467%0.6758%0.575SS**SBendtrans-6711.7-173.7-66.3-166.7173.7-165.70115.3K93 G97K93-K95 PolarHBondContact O-N 2.85Å; K95-G97 VanDerWaalsContact C-N 3.33Å; K95-G97 PolarHBondContact O-N 2.82Å
96F47.4Very low43.6Very low58 Ų58109.8 Ų109.825%0.25457%0.573SS.*  trans-96.335.3-175.8-52.1-57000112.8V65 V67 N94 L98 L99V65-F96 HydrophobicContact CG1-CD1 3.85Å; V65-F96 HydrophobicContact CG1-CE1 3.54Å; V65-F96 HydrophobicContact CG1-CZ 4.48Å; V67-F96 HydrophobicContact CG1-CB 4.48Å; V67-F96 HydrophobicContact CG2-CB 4.46Å; V67-F96 HydrophobicContact CG2-CD1 3.77Å; V67-F96 HydrophobicContact CG2-CD2 3.87Å; V67-F96 HydrophobicContact CG2-CE1 3.89Å; V67-F96 HydrophobicContact CG2-CE2 3.98Å; V67-F96 HydrophobicContact CG2-CG 3.76Å; V67-F96 HydrophobicContact CG2-CZ 3.99Å; N94-F96 HydrophobicContact CB-CD2 4.32Å; N94-F96 PolarHBondContact O-N 2.82Å; F96-L98 PolarHBondContact O-N 2.92Å; F96-L98 VanDerWaalsContact O-N 3.15Å; F96-L99 HydrophobicContact CB-CD1 4.07Å
97G32.7Very low41.5Very low42 Ų42110.8 Ų110.843%0.43359%0.585SS.*THydrogen-bonded Turntrans-58.9116.6-176.100000112.6K95 K500K95-G97 VanDerWaalsContact C-N 3.33Å; K95-G97 PolarHBondContact O-N 2.82Å; G97-K500 WeakPolarHBondContact O-CD 3.49Å
98L38.8Very low40.2Very low121 Ų121109.2 Ų109.263%0.63459%0.586SS**THydrogen-bonded Turntrans61.860.1170.8-65.3168.4000115F96 L485 K500F96-L98 PolarHBondContact O-N 2.92Å; F96-L98 VanDerWaalsContact O-N 3.15Å; L98-L485 HydrophobicContact CB-CD1 3.71Å; L98-L485 HydrophobicContact CD1-CD1 4.34Å; L98-L485 HydrophobicContact CD2-CD1 3.91Å; L98-L485 HydrophobicContact CG-CD1 4.2Å; L98-K500 VanDerWaalsContact CB-NZ 3.33Å; L98-K500 PolarHBondContact O-NZ 3.15Å
99L36.2Very low39.2Very low12 Ų12110.6 Ų110.66%0.06359%0.592CS.*  trans-81.4150.1159.6-57.6173.8000110.2Y62 V65 V67 F96 L483Y62-L99 HydrophobicContact CD1-CB 3.83Å; Y62-L99 HydrophobicContact CD2-CB 3.48Å; Y62-L99 VanDerWaalsContact CD2-CB 3.48Å; Y62-L99 HydrophobicContact CD2-CD1 3.35Å; Y62-L99 HydrophobicContact CD2-CG 4.03Å; Y62-L99 HydrophobicContact CE1-CB 3.89Å; Y62-L99 HydrophobicContact CE2-CB 3.47Å; Y62-L99 VanDerWaalsContact CE2-CB 3.47Å; Y62-L99 HydrophobicContact CE2-CD1 3.99Å; Y62-L99 HydrophobicContact CE2-CG 4.36Å; Y62-L99 HydrophobicContact CG-CB 3.63Å; Y62-L99 HydrophobicContact CG-CD1 3.8Å; Y62-L99 HydrophobicContact CG-CG 4.28Å; Y62-L99 PolarHBondContact OH-O 2.83Å; V65-L99 HydrophobicContact CG2-CD1 4.46Å; V67-L99 HydrophobicContact CB-CD1 4.01Å; V67-L99 HydrophobicContact CG1-CD1 3.98Å; V67-L99 HydrophobicContact CG2-CD1 4.37Å; F96-L99 HydrophobicContact CB-CD1 4.07Å; L99-L483 HydrophobicContact CD2-CD1 3.87Å; L99-L483 HydrophobicContact CD2-CD2 3.65Å; L99-L483 HydrophobicContact CD2-CG 4.44Å
100R35.1Very low38.7Very low98 Ų98113.6 Ų113.637%0.3760%0.602SS.*  trans-138152.5172.2-67.1-144.8-111.1139.1-8.3111.1Y62 E484 L485Y62-R100 WeakPolarHBondContact CD1-O 3.22Å; R100-E484 VanDerWaalsContact C-OE1 3.22Å; R100-E484 HydrophobicContact CB-CB 3.9Å; R100-E484 HydrophobicContact CB-CG 3.92Å; R100-E484 WeakPolarHBondContact CB-OE1 3.43Å; R100-E484 WeakPolarHBondContact CD-OE2 3.47Å; R100-E484 HydrophobicContact CG-CB 4.33Å; R100-E484 VanDerWaalsContact CZ-CB 3.47Å; R100-E484 IonicContact CZ-OE2 2.75Å; R100-E484 IonicContact NE-OE2 3.51Å; R100-E484 VanDerWaalsContact NH1-CB 3.31Å; R100-E484 IonicContact NH1-OE2 3.37Å; R100-E484 PolarHBondContact NH1-OE2 3.38Å; R100-E484 PolarHBondContact NH2-O 3.42Å; R100-L485 HydrophobicContact CG-CD1 4.19Å; R100-L485 VanDerWaalsContact NH2-CD2 3.29Å
101P33.2Very low38.3Very low26 Ų26112.9 Ų112.917%0.16960%0.603CS.*  trans-100.6125.6-160.131.5-20.3000113.1E60 Y62 E103 E484E60-P101 HydrophobicContact CB-CB 3.98Å; E60-P101 HydrophobicContact CB-CG 4.01Å; E60-P101 HydrophobicContact CG-CB 4.28Å; E60-P101 HydrophobicContact CG-CG 3.77Å; Y62-P101 HydrophobicContact CD1-CB 4.41Å; Y62-P101 HydrophobicContact CE1-CB 3.9Å; Y62-P101 HydrophobicContact CE1-CG 4.41Å; P101-E103 PolarHBondContact O-N 3.2Å; P101-E484 VanDerWaalsContact CD-OE1 3.32Å; P101-E484 WeakPolarHBondContact CD-OE1 3.5Å
102V38Very low38Very low122 Ų122109.5 Ų109.574%0.73960%0.6SS**  trans-53.3101.9-178.4-175.80000112.2
103E41.7Very low37.5Very low169 Ų169108.5 Ų108.579%0.7961%0.609SS**  trans-73131.8163.4-63.4-159.1142.400109.4P101 R105P101-E103 PolarHBondContact O-N 3.2Å; E103-R105 PolarHBondContact O-N 2.83Å
104G32.6Very low37.2Very low74 Ų74113.8 Ų113.876%0.76363%0.626SS**  trans-66.5105.3178.800000110.5P106G104-P106 WeakPolarHBondContact O-CD 3.4Å
105R32.9Very low37Very low232 Ų232116.3 Ų116.388%0.87564%0.644SS**  trans-52.6122.3179.5-165.9-177-158.4-167.87.7109.8E103 V107E103-R105 PolarHBondContact O-N 2.83Å; R105-V107 PolarHBondContact O-N 2.8Å; R105-V107 VanDerWaalsContact O-N 3.1Å
106P31.6Very low36.3Very low106 Ų106115.4 Ų115.469%0.68865%0.654SS**  trans-59.1119176.6-25.134.7000110.3G104 L108G104-P106 WeakPolarHBondContact O-CD 3.4Å; P106-L108 PolarHBondContact O-N 2.85Å
107V34Very low35.9Very low123 Ų123119.1 Ų119.175%0.74568%0.681SS**  trans-72.2101.3172.7-1790000107.4R105 L109R105-V107 PolarHBondContact O-N 2.8Å; R105-V107 VanDerWaalsContact O-N 3.1Å; V107-L109 HydrophobicContact CG1-CD1 3.75Å; V107-L109 PolarHBondContact O-N 2.97Å
108L36.5Very low36.2Very low169 Ų169124.8 Ų124.889%0.88570%0.698SS**  trans-70.681.5171.5-69.4-179.9000109.6P106P106-L108 PolarHBondContact O-N 2.85Å
109L34.4Very low36.4Very low129 Ų129123.8 Ų123.868%0.67570%0.702SS**  trans-67.1149168.9-13076.4000110.2V107V107-L109 HydrophobicContact CG1-CD1 3.75Å; V107-L109 PolarHBondContact O-N 2.97Å
110N33.7Very low36.9Very low145 Ų145128.8 Ų128.878%0.77574%0.735SS**  trans75.286.8165.7-48.6-33.3000117.8
111A35.9Very low37.2Very low96 Ų96128.8 Ų128.879%0.79376%0.756SS**  trans-127.7115.5142.500000108.2
112P39Very low37.6Very low121 Ų121131.7 Ų131.779%0.78678%0.782SS**  trans-81.1136.8-172.731.2-34.3000112.2
113A31.4Very low38Very low102 Ų102135.1 Ų135.184%0.84379%0.787SS**  trans-68.4134.817500000111.9
114R40.8Very low38.1Very low227 Ų227133.8 Ų133.886%0.85779%0.79SS**  trans-137.398.8165.9-78.6-164.9169.2-161.6-4.2112.2
115T41.5Very low38.4Very low117 Ų117135.4 Ų135.472%0.71879%0.788SS**  trans38.2119.3136.155.90000119.6
116P34.8Very low39Very low134 Ų134135.6 Ų135.687%0.8779%0.789SS**  trans-78.6139167.733.5-33.2000112.2
117T39.4Very low39.3Very low136 Ų136135.6 Ų135.683%0.83479%0.789SS**  trans-136.2153.7170.5-56.20000109.5
118M39.2Very low39.9Very low161 Ų161136.7 Ų136.779%0.79380%0.796SS**  trans-98.9146.7-152.5-64.1-112.671.700116.7
119S42.4Very low40.1Very low101 Ų101134.8 Ų134.871%0.70679%0.786SS**  trans69.5167.4134.7-74.50000120.7
120P47.6Very low40.5Very low117 Ų117140.6 Ų140.676%0.7680%0.799SS**  cis-132.7-172.8-15.726.2-2.9000115.2
121A40.3Very low41.1Very low98 Ų98140.2 Ų140.281%0.8180%0.802SS**  trans81.9141.6152.900000119.4
122A41.8Very low41.4Very low86 Ų86141.1 Ų141.171%0.71180%0.8SS**  cis-167174.1-13.200000112.6
123K46.5Very low41.5Very low195 Ų195143.6 Ų143.685%0.84880%0.804SS**  trans93112.1168.5-57.3174.2-175.9176.70115
124V44Very low41.7Very low140 Ų140146.6 Ų146.685%0.84880%0.803SS**  84.2126.461.4161.70000111.1
125C38.9Very low41.8Very low108 Ų108145.1 Ų145.173%0.7380%0.803SS**  cis-164.1-173.7-12.8-136.30000107.7
126R45Very low41.5Very low237 Ų237144.7 Ų144.789%0.89480%0.802SS**  cis-147.9164.420.9-59.3173.8-179.6172.7-0.1111.3
127P39Very low41.8Very low106 Ų106147.4 Ų147.469%0.68880%0.801SS**  trans-103.9170.2170.840.1-34000114.5
128V45.8Very low41.8Very low146 Ų146147.8 Ų147.889%0.88580%0.798SS**  trans-145.3138.4155.2-178.30000109.2
129D41.7Very low41.5Very low129 Ų129149.4 Ų149.469%0.6980%0.803SS**  trans-87.6157.7-171.3-45.7-95.7000115.7
130R43Very low41.2Very low250 Ų250149 Ų14994%0.94381%0.806SS**  -166.7153.6113.1-100.4162.6-171.7-157.50.4112.2
131V45.9Very low40.7Very low137 Ų137149.6 Ų149.683%0.8381%0.81SS**  trans-131175.4-164.7-107.10000111.1
132P42.1Very low40.6Very low115 Ų115149 Ų14975%0.74781%0.805SS**  trans-114.6179-137.343.9-36.4000115.6
133I41Very low40.3Very low173 Ų173150.4 Ų150.489%0.88781%0.809SS**  trans-132.4146.6164.2-64.5-175.7000110.3
134M35.3Very low40Very low166 Ų166149.9 Ų149.982%0.81881%0.808SS**  trans-89.1160.9-168.3-52.2157.874.100114
135K43Very low39.9Very low195 Ų195148.4 Ų148.485%0.84880%0.801SS**  trans-168.7124.6137.2-109.1165.2-174.6178.40112.1
136P35Very low39.7Very low109 Ų109150 Ų15071%0.70880%0.802SS**  trans-87.3153.5162.635.6-31.9000110.6
137F40.4Very low39.3Very low191 Ų191149.5 Ų149.584%0.83880%0.8SS**  trans-150.4158.6165.7-118.3-83.7000112.7
138N41.2Very low39.1Very low144 Ų144154.2 Ų154.277%0.7781%0.806SS**  trans-83.5177.3-153.3-61-7.4000116.6
139E31.8Very low39Very low194 Ų194153.1 Ų153.191%0.90780%0.802SS**  trans-55.8145177.3-53.3156.2127.200115.1
140A36.4Very low38.9Very low93 Ų93153.3 Ų153.377%0.76981%0.808SS**  trans-157.7140.9149.200000109.7
141P37Very low38.6Very low129 Ų129147.5 Ų147.584%0.83881%0.805SS**  trans-84.2131.9-174.831.9-34.3000113.3S143P141-S143 PolarHBondContact O-N 3.15Å
142A38Very low38.2Very low85 Ų85145.7 Ų145.770%0.70280%0.799SS**  trans-83.288.6176.100000112F144A142-F144 HydrophobicContact CB-CE2 4.13Å; A142-F144 PolarHBondContact O-N 2.83Å
143S35.7Very low38Very low116 Ų116143.5 Ų143.581%0.81180%0.797SS**PPolyproline II helixtrans-74.2120166.761.60000110.7P141P141-S143 PolarHBondContact O-N 3.15Å
144F40.2Very low37.8Very low185 Ų185142.7 Ų142.781%0.81180%0.795SS**PPolyproline II helixtrans-95.7131.4172-82.5-84.1000110.7A142A142-F144 HydrophobicContact CB-CE2 4.13Å; A142-F144 PolarHBondContact O-N 2.83Å
145P40.9Very low38.1Very low109 Ų109142.9 Ų142.971%0.70880%0.797SS**PPolyproline II helixtrans-80.6127.6-170.630.8-34.8000112.4R147P145-R147 PolarHBondContact O-N 3.08Å
146N35.8Very low37.8Very low141 Ų141139.1 Ų139.175%0.75480%0.796SS**  trans-73.9113.1172-167.6-5.4000110.2
147R35.6Very low38Very low226 Ų226138.5 Ų138.585%0.85380%0.8SS**  trans-143.793.1172.9-77.1-164.3179.8-166.61.9111.9P145P145-R147 PolarHBondContact O-N 3.08Å
148Y34.9Very low37.9Very low206 Ų206139.8 Ų139.881%0.80880%0.799SS**  trans-78.9124.5155.3-75.1-90000109.3T150Y148-T150 PolarHBondContact O-N 3.34Å
149P44.1Very low37.8Very low123 Ų123139.7 Ų139.780%0.79979%0.794SS**  trans-80.7116.3172.430.8-31.5000110.6S151P149-S151 PolarHBondContact O-N 2.69Å
150T38.8Very low38.3Very low132 Ų132140.1 Ų140.181%0.8179%0.793SS**  trans-75.6109.7169.740.70000110.4Y148 S152Y148-T150 PolarHBondContact O-N 3.34Å; T150-S152 PolarHBondContact O-N 2.88Å; T150-S152 VanDerWaalsContact O-N 3.11Å
151S37.5Very low38.5Very low128 Ų128142.6 Ų142.690%0.89580%0.798SS**  trans-83.180.1177.6-169.70000111.6P149 G153P149-S151 PolarHBondContact O-N 2.69Å; S151-G153 PolarHBondContact O-N 3.38Å
152S37.8Very low38.7Very low99 Ų99140.2 Ų140.269%0.69280%0.798SS**  trans-88.886.7169.454.30000110.6T150 N154T150-S152 PolarHBondContact O-N 2.88Å; T150-S152 VanDerWaalsContact O-N 3.11Å; S152-N154 PolarHBondContact O-N 2.86Å
153G37.6Very low39Very low70 Ų70141 Ų14172%0.72280%0.804SS**  trans-72.798.6176.200000112.7S151S151-G153 PolarHBondContact O-N 3.38Å
154N36Very low39.8Very low156 Ų156141.1 Ų141.183%0.83480%0.802SS**  trans-74.9127172.2-74.1-27.1000111.2S152S152-N154 PolarHBondContact O-N 2.86Å
155I42.4Very low39.8Very low169 Ų169139.2 Ų139.287%0.86780%0.797SS**  trans-123.2129.1161.4-61.5-179.9000107.7
156S36.7Very low39.8Very low116 Ų116141.3 Ų141.381%0.81180%0.801SS**  trans-101.7125.9-174.648.30000112.4
157A39.7Very low40.2Very low96 Ų96142 Ų14279%0.79380%0.797SS**  trans-160.892.3160.600000113.7
158R38.6Very low40.5Very low218 Ų218139.2 Ų139.282%0.82379%0.794SS**  55.496.1122.5-163.7165.7-167.2175.96.5120.7
159E38Very low40.7Very low142 Ų142134.3 Ų134.366%0.66479%0.79SS**  63.4107.9115-173.9-175.4-131.500120.5
160K43Very low40.4Very low204 Ų204133.1 Ų133.189%0.88779%0.79SS**  trans-167.8171.6132.4-105.9157.9-171177.40113.2
161T40.2Very low40.2Very low144 Ų144132.4 Ų132.488%0.88379%0.79SS**  trans-130.1157.9-149.148.30000116.4
162G41Very low40.2Very low80 Ų80131.9 Ų131.983%0.82578%0.782SS**  trans108.1152.4170.900000113.7
163A45.4Very low40.1Very low100 Ų100132.1 Ų132.183%0.82678%0.784SS**  cis-159.5170.5-7.700000108.5
164P51.1Low40Very low120 Ų120139.2 Ų139.278%0.77979%0.79SS**  trans-125.9171.2-145.945.1-36000119.3
165M41.5Very low40Very low144 Ų144139.6 Ų139.671%0.70979%0.791SS**  trans85127.6137.6-142.3-1796800122.4
166I41Very low39.6Very low153 Ų153138.1 Ų138.179%0.78579%0.79SS**  trans179.9113.8141.9-93.8151.7000105.5
167K42.7Very low39.5Very low156 Ų156135.8 Ų135.868%0.67879%0.785SS**  61.5138.183.3-68-176.8179.7-179.60113
168Q41.6Very low39.3Very low168 Ų168136.3 Ų136.379%0.78578%0.783SS**  cis-164.6151.227.4-140.3165.4-33.500113.2
169S39.1Very low39.2Very low103 Ų103137.9 Ų137.972%0.7279%0.788SS**  trans33.2158.5143.257.80000124.5
170A39.2Very low39.1Very low98 Ų98135.9 Ų135.981%0.8180%0.796SS**  cis-176.2171.9-2100000110.4
171S35.1Very low38.8Very low116 Ų116130.5 Ų130.581%0.81179%0.79SS**  trans-57.7166.4-176.4-38.80000118.3
172T37.4Very low38.5Very low117 Ų117130.1 Ų130.172%0.71879%0.787SS**  -164.9150.7123.8-73.70000111.2Y174T172-Y174 HydrophobicContact CG2-CD2 4.03Å; T172-Y174 HydrophobicContact CG2-CE2 3.44Å; T172-Y174 VanDerWaalsContact CG2-CE2 3.44Å
173S34.5Very low38.5Very low104 Ų104131.9 Ų131.973%0.72778%0.784SS**  trans-130.4149.8-178.756.50000111.9
174Y36.8Very low38.1Very low219 Ų219130.8 Ų130.886%0.85978%0.775SS**  trans-139.2156171.1-76.7-72.3000113.3T172T172-Y174 HydrophobicContact CG2-CD2 4.03Å; T172-Y174 HydrophobicContact CG2-CE2 3.44Å; T172-Y174 VanDerWaalsContact CG2-CE2 3.44Å
175L34.9Very low37.5Very low164 Ų164132.2 Ų132.286%0.85978%0.777SS**  trans-157.5157.2-169.2-122.4178.7000111
176V33.9Very low37.2Very low138 Ų138132.9 Ų132.984%0.83678%0.782SS**  trans73.1145.5172-169.90000116.5
177G35.1Very low36.6Very low68 Ų68131.1 Ų131.170%0.70178%0.778SS**  trans-163.7-62.9-178.800000118.2
178S35.4Very low36.3Very low107 Ų107129.7 Ų129.775%0.74879%0.785SS**  trans68.5141172.2-60.90000121.6
179R36.1Very low35.8Very low251 Ų251127.6 Ų127.695%0.94778%0.783SS**  trans67.6136.8163.2-69.1174.1172.4174.1-3.4116.7
180A36.4Very low35.4Very low99 Ų99133.8 Ų133.882%0.81879%0.793SS**  cis-155.7-168.2-4.400000108.1
181A37Very low35.1Very low92 Ų92140 Ų14076%0.7680%0.795SS**  cis-151.9-133.810.600000112.4
182T33.9Very low34.8Very low135 Ų135143.6 Ų143.683%0.82880%0.796SS**  trans-162.9177.6-166.515.50000110.2
183P40.3Very low34.9Very low117 Ų117143.8 Ų143.876%0.7680%0.799SS**  cis-136178.5-2.135.3-15.1000117.2
184A38Very low34.9Very low78 Ų78147.9 Ų147.965%0.64581%0.807SS**  118.7137.2127.700000119.6
185N37.2Very low34.5Very low150 Ų150142.3 Ų142.380%0.80281%0.807SS**  trans69.1138.9161.5-56.5-31.4000117.2
186L34.8Very low34.5Very low158 Ų158144.6 Ų144.683%0.82781%0.81SS**  cis-150.4159.5-0.2-116.6162.7000109.9
187V29.9Very low34.5Very low116 Ų116141.8 Ų141.870%0.70380%0.801SS**  trans-111.9133.9-173.3177.20000112.2T189V187-T189 HydrophobicContact CG1-CG2 3.98Å
188P36.6Very low34.6Very low125 Ų125146 Ų14681%0.81281%0.807SS**  trans-9999.8162.430-18.6000111.2Y190P188-Y190 PolarHBondContact O-N 2.9Å
189T30.8Very low34.6Very low124 Ų124149.5 Ų149.576%0.76181%0.814SS**PPolyproline II helixtrans-77.3117.8172.151.20000111V187V187-T189 HydrophobicContact CG1-CG2 3.98Å
190Y30.6Very low34.5Very low234 Ų234142.4 Ų142.492%0.91881%0.809SS**PPolyproline II helixtrans-89120.6170.8-137.2-90.8000111.2P188P188-Y190 PolarHBondContact O-N 2.9Å
191R32.7Very low34.1Very low227 Ų227143.7 Ų143.786%0.85781%0.812SS**PPolyproline II helixtrans-77.3130.3177.6-94.7-179.9167.6161.1-5.2110.9
192K29.2Very low34Very low192 Ų192143.7 Ų143.784%0.83581%0.812SS**PPolyproline II helixtrans-64.9128163.7-173.9176.2-176.11760109.1E194K192-E194 PolarHBondContact O-N 3.38Å
193P38.7Very low33.9Very low121 Ų121143 Ų14379%0.78681%0.81SS**PPolyproline II helixtrans-63131.2172.1-22.234000110.8
194E34.2Very low33.3Very low191 Ų191149.2 Ų149.289%0.89382%0.818SS**PPolyproline II helixtrans-77.4147179-65.6178.2133.800111.4K192K192-E194 PolarHBondContact O-N 3.38Å
195A28.7Very low33.1Very low102 Ų102150.7 Ų150.784%0.84382%0.821SS**PPolyproline II helixtrans-74130.6179.600000111.2
196K35.7Very low32.6Very low212 Ų212149.3 Ų149.392%0.92282%0.823SS**PPolyproline II helixtrans-89.1124.7159.4-80-172.8172.7-178.20109.2
197A34.1Very low32.4Very low79 Ų79149.3 Ų149.365%0.65382%0.823SS**  trans-83.3177.4-177.600000112.7
198N37.1Very low32.4Very low156 Ų156151.2 Ų151.283%0.83483%0.828SS**  trans77.7124.1175.5-44-34.4000113.1
199M34.1Very low31.8Very low181 Ų181157.6 Ų157.689%0.89284%0.836SS**  cis-137.7161.230.3-62.8-171.8101.200115.8
200A34.2Very low31.6Very low101 Ų101157.6 Ų157.684%0.83584%0.836SS**  trans51.4108.514700000119.8
201S29.3Very low31.7Very low127 Ų127153.1 Ų153.189%0.88883%0.834SS**  trans-77.2143.8167.153.50000113.6
202A34.8Very low31.6Very low91 Ų91146.7 Ų146.775%0.75282%0.823SS**  trans-127.7145.3155.900000109.3
203P31.4Very low31.7Very low122 Ų122142.2 Ų142.279%0.79282%0.823SS**PPolyproline II helixtrans-78.1147.3-168.330.8-35.6000113.4P205P203-P205 WeakPolarHBondContact O-CD 3.07Å
204R27.6Very low31.2Very low247 Ų247144.8 Ų144.893%0.93282%0.822SS**PPolyproline II helixtrans-71.4126.3166.5-74.4-179.3171.1-174-3.8110.3
205P32.7Very low31.1Very low108 Ų108142 Ų14270%0.70182%0.82SS**PPolyproline II helixtrans-77.4127.8154.1-3.922.8000108.7P203 L207P203-P205 WeakPolarHBondContact O-CD 3.07Å; P205-L207 PolarHBondContact O-N 3.21Å
206S28Very low31.3Very low121 Ų121140.3 Ų140.385%0.84681%0.812SS**PPolyproline II helixtrans-68.9123.8162.851.50000109.2
207L31.2Very low31Very low158 Ų158137.8 Ų137.883%0.82781%0.809SS**  trans-123.5137.8172.5-80.3170.2000111P205P205-L207 PolarHBondContact O-N 3.21Å
208L28.1Very low31.2Very low156 Ų156137.8 Ų137.882%0.81780%0.801SS**  trans-77.3155.3-172.5-66.9146.8000111.2T210L208-T210 VanDerWaalsContact C-N 3.32Å; L208-T210 PolarHBondContact O-N 3.17Å
209W25.8Very low31.2Very low259 Ų259131.7 Ų131.798%0.98177%0.772SS**SBendtrans-73.882.6174-62.2-30.9000111.6
210T26.3Very low31.2Very low124 Ų124127 Ų12776%0.76176%0.755SS**  trans-132.477.9169.455.40000109.8L208L208-T210 VanDerWaalsContact C-N 3.32Å; L208-T210 PolarHBondContact O-N 3.17Å
211T31.6Very low31.4Very low140 Ų140123.1 Ų123.186%0.85972%0.723SS**  trans-108.1100.6175.4-43.30000109.4A213T211-A213 PolarHBondContact O-N 3.42Å
212S30.1Very low31.6Very low92 Ų92119 Ų11964%0.64369%0.688SS**PPolyproline II helixtrans-61.9130.4168.750.90000110.1F214S212-F214 PolarHBondContact O-N 3.47Å
213A31.4Very low31.5Very low99 Ų99121.9 Ų121.982%0.81868%0.68SS**PPolyproline II helixtrans-62.9124.7174.800000110.7T211T211-A213 PolarHBondContact O-N 3.42Å
214F30.2Very low31.6Very low174 Ų174120.3 Ų120.376%0.76367%0.665SS**PPolyproline II helixtrans-78.6130.6167.9-82.1-93000109.3S212 G216S212-F214 PolarHBondContact O-N 3.47Å; F214-G216 PolarHBondContact O-N 3.06Å
215P30.8Very low31.6Very low134 Ų134110.9 Ų110.987%0.8764%0.636SS**THydrogen-bonded Turntrans-78.2101.1177.630.4-32.8000110.3
216G32.1Very low31.6Very low65 Ų65111 Ų11167%0.6764%0.636SS**THydrogen-bonded Turntrans-179.3-41.1174.900000116.5F214F214-G216 PolarHBondContact O-N 3.06Å
217D31.2Very low31.6Very low160 Ų160106 Ų10686%0.85661%0.605SS**  trans-87.8124-167.6-67.4-49.4000113.7
218V38Very low31.4Very low79 Ų79108.5 Ų108.548%0.47960%0.603SS.*  trans-87.4139.3178.2179.40000110.3P220 V462V218-P220 WeakPolarHBondContact O-CD 3.45Å; V218-V462 HydrophobicContact CG1-CG1 4.42Å
219A37Very low31.4Very low28 Ų28109.5 Ų109.523%0.23160%0.597CS.*  trans-45117.5176.300000112.6A221A219-A221 VanDerWaalsContact C-N 3.29Å; A219-A221 PolarHBondContact O-N 3.02Å; A219-A221 VanDerWaalsContact O-N 3.12Å
220P34Very low31.2Very low81 Ų81108.2 Ų108.253%0.52659%0.592SS.*G310 helixtrans-69.3-7.8-165.8-26.336.7000117.8V218 W223 N224V218-P220 WeakPolarHBondContact O-CD 3.45Å; P220-W223 WeakPolarHBondContact O-CB 3.3Å; P220-W223 PolarHBondContact O-N 3.03Å; P220-N224 PolarHBondContact O-ND2 2.61Å
221A38.2Very low31.2Very low20 Ų20113.3 Ų113.317%0.16560%0.598CS.*G310 helixtrans-66.1-42.3-17300000115.4A219 W223 D569 P570A219-A221 VanDerWaalsContact C-N 3.29Å; A219-A221 PolarHBondContact O-N 3.02Å; A219-A221 VanDerWaalsContact O-N 3.12Å; A221-W223 PolarHBondContact O-N 3.37Å; A221-D569 HydrophobicContact CB-CB 3.91Å; A221-D569 WeakPolarHBondContact CB-OD1 3.49Å; A221-D569 PolarHBondContact N-OD1 3.14Å; A221-P570 HydrophobicContact CB-CG 4.37Å
222Y34.3Very low30.9Very low41 Ų41115 Ų11516%0.16160%0.596CS.*G310 helixtrans-7410.3179.4-70.1-68.1000113.6G64 C480G64-Y222 WeakPolarHBondContact O-CE1 3.16Å; Y222-C480 HydrophobicContact CE2-CB 4.46Å
223W32.4Very low30.6Very low152 Ų152114.9 Ų114.958%0.57660%0.601SS**G310 helixtrans-113.712-175-68.499.3000115P220 A221P220-W223 WeakPolarHBondContact O-CB 3.3Å; P220-W223 PolarHBondContact O-N 3.03Å; A221-W223 PolarHBondContact O-N 3.37Å
224N33.3Very low30.6Very low89 Ų89115.9 Ų115.948%0.47660%0.599SS.*  trans-126.379.3-173.7-84.4-74.1000116P220 P226P220-N224 PolarHBondContact O-ND2 2.61Å; N224-P226 VanDerWaalsContact O-CD 3.32Å; N224-P226 WeakPolarHBondContact O-CD 3.41Å
225C27.9Very low30.5Very low49 Ų49113.8 Ų113.833%0.33160%0.6SS.*  trans-109.383.8160.8-78.80000110.9N47 F66 G227N47-C225 PolarHBondContact ND2-O 2.93Å; F66-C225 VanDerWaalsContact CZ-SG 3.57Å; C225-G227 PolarHBondContact O-N 2.75Å; C225-G227 VanDerWaalsContact O-N 3.1Å
226P32.8Very low30.5Very low109 Ų109113.7 Ų113.771%0.70860%0.597SS**  trans-86.483-168.734.4-37.1000113.6N224 R228N224-P226 VanDerWaalsContact O-CD 3.32Å; N224-P226 WeakPolarHBondContact O-CD 3.41Å; P226-R228 PolarHBondContact O-N 3.18Å
227G27.8Very low30.4Very low18 Ų18116.3 Ų116.319%0.18660%0.6CS.*  trans-78.3113.7158.600000110.8K46 C225 Y229K46-G227 WeakPolarHBondContact CD-O 3.42Å; K46-G227 WeakPolarHBondContact CE-O 3.45Å; K46-G227 WeakPolarHBondContact CG-O 3.42Å; K46-G227 PolarHBondContact NZ-O 3.36Å; C225-G227 PolarHBondContact O-N 2.75Å; C225-G227 VanDerWaalsContact O-N 3.1Å; G227-Y229 PolarHBondContact O-N 2.93Å
228R25.9Very low30.2Very low210 Ų210113.3 Ų113.379%0.79260%0.597SS**SBendtrans4.4105.9160.5-175.8-175.7-65.8-121.21.3116.4K46 P226K46-R228 WeakPolarHBondContact CE-O 3.38Å; K46-R228 PolarHBondContact NZ-O 2.98Å; P226-R228 PolarHBondContact O-N 3.18Å
229Y27.6Very low29.8Very low176 Ų176116 Ų11669%0.6961%0.614SS**  trans170.1133.9136.7-83.9-57.1000109.6G227G227-Y229 PolarHBondContact O-N 2.93Å
230R23.2Very low29.7Very low232 Ų232120.9 Ų120.988%0.87564%0.641SS**  trans-97.1131.5-179.8176.4-169.5-169-1795.7109.6
231W25Very low29.4Very low231 Ų231121.8 Ų121.888%0.87566%0.655SS**  trans-137.2152.8169.8-75.7105.1000110.8
232Q25.3Very low29.1Very low176 Ų176129.6 Ų129.682%0.82269%0.688SS**PPolyproline II helixtrans-91.6156.2-176.2-68.9167.5-37.900111
233A25.1Very low29.1Very low90 Ų90134.4 Ų134.474%0.74472%0.721SS**PPolyproline II helixtrans-70.9142.4176.700000111.6
234P29.8Very low29Very low119 Ų119137.5 Ų137.577%0.77373%0.733SS**PPolyproline II helixtrans-69.9131.3166.2-8.524.5000109.7T236P234-T236 PolarHBondContact O-N 2.7Å
235V29.6Very low29Very low131 Ų131139.2 Ų139.279%0.79475%0.749SS**  trans-74.8110.7168.3176.30000108.3T237V235-T237 PolarHBondContact O-N 2.8Å; V235-T237 VanDerWaalsContact O-N 3.16Å
236T29.5Very low29.2Very low132 Ų132143.5 Ų143.581%0.8176%0.764SS**  trans-7991.3169.349.30000109.6P234 A238P234-T236 PolarHBondContact O-N 2.7Å; T236-A238 PolarHBondContact O-N 3.06Å
237T29.7Very low29.3Very low120 Ų120148 Ų14874%0.73677%0.767SS**  trans-61.3118.8170.4-46.50000109.4V235V235-T237 PolarHBondContact O-N 2.8Å; V235-T237 VanDerWaalsContact O-N 3.16Å
238A27.3Very low29.4Very low96 Ų96153.6 Ų153.679%0.79379%0.793SS**  trans-69.4133.3174.600000110.4T236T236-A238 PolarHBondContact O-N 3.06Å
239V31.2Very low29.7Very low136 Ų136155 Ų15582%0.82480%0.8SS**  trans-121.5122163.7179.90000107
240T33.1Very low29.8Very low131 Ų131151.1 Ų151.180%0.80480%0.804SS**  trans-70.6145.4-177.7400000111.8
241A28.4Very low30.2Very low99 Ų99145 Ų14582%0.81880%0.803SS**  trans-93128.9175.700000111.1
242E32.4Very low30.5Very low185 Ų185137.5 Ų137.586%0.86480%0.797SS**  trans-121.2106.6163.1-71.4-156.3135.400111.8
243V33.9Very low30.8Very low141 Ų141134.2 Ų134.286%0.85580%0.8SS**  trans37.2109.4133.5-172.50000119.1
244R30.9Very low31.3Very low218 Ų218134.3 Ų134.382%0.82380%0.801SS**  trans-63.7157.9159.1-121.3-179.1-167.5176.13.1112
245P33.7Very low31.6Very low125 Ų125134.6 Ų134.681%0.81280%0.8SS**  -145.8-158.583.339.5-20.7000115.5
246E31.9Very low32.1Very low139 Ų139135.9 Ų135.965%0.6580%0.802SS**  trans-100.6176.3-156.1-43.5-174.5142.900117.4
247R33.4Very low32.5Very low202 Ų202137.1 Ų137.176%0.76280%0.799SS**  trans96.7109.4143.4-78.3166.1-167.6-136.4-4.4119.6
248N31.5Very low33Very low136 Ų136137.7 Ų137.773%0.72780%0.798SS**  30120123.7-50.83.3000117.7
249Y32Very low33.5Very low241 Ų241140.4 Ų140.495%0.94579%0.794SS**  -154.6-179.1100.5-100.5-69.3000109.4
250A30.1Very low33.9Very low93 Ų93137.8 Ų137.877%0.76978%0.782SS**  trans-117.7178.2-159.600000114.4
251A30.1Very low34.2Very low105 Ų105137.4 Ų137.487%0.86877%0.771SS**  trans83.7119.1163.600000119.2
252G31.1Very low34.8Very low72 Ų72140.4 Ų140.474%0.74277%0.766SS**  122.3112.6110.700000117.9
253A32.4Very low34.9Very low108 Ų108141.8 Ų141.889%0.89376%0.763SS**  trans63.6152.1155.600000118.2
254A34.7Very low35.1Very low92 Ų92142 Ų14276%0.7676%0.758SS**  cis-151.4155.4-19.500000111.3
255V35.8Very low35.1Very low124 Ų124138.2 Ų138.275%0.75275%0.754SS**  trans-3.5132.2144.3-178.40000117E257V255-E257 HydrophobicContact CG1-CG 4.14Å
256D40.5Very low35Very low158 Ų158137.4 Ų137.485%0.84575%0.75SS**  -140.6157.5127.7-149.4-16.8000109.6
257E39Very low35.2Very low158 Ų158138.9 Ų138.974%0.73876%0.757SS**  trans-109.2172.3-167.9-60.6-167.1124.300113.8V255V255-E257 HydrophobicContact CG1-CG 4.14Å
258N39.3Very low35.6Very low132 Ų132134.2 Ų134.271%0.70675%0.752SS**  trans157.7116.9134.4-86.5-67.8000109.9
259E37.5Very low35.7Very low153 Ų153135.8 Ų135.872%0.71575%0.753SS**  71.8141.790.6-87.6-123.5110.300113.7Q261E259-Q261 PolarHBondContact OE1-NE2 2.92Å
260S40.9Very low35.8Very low82 Ų82131.6 Ų131.657%0.57374%0.742SS**  cis-170.3172.9-6.5-134.10000108.8
261Q38.8Very low36Very low123 Ų123133 Ų13358%0.57574%0.737SS**  cis-167.2177-1.4-144.6171.180.200109.2E259E259-Q261 PolarHBondContact OE1-NE2 2.92Å
262K40.3Very low36.2Very low162 Ų162134.7 Ų134.770%0.70473%0.731SS**  trans70.8152.6151.4-74.5160.9176.4148.30119.8
263R34.3Very low36.6Very low213 Ų213138.4 Ų138.480%0.80473%0.732SS**  cis-176.3166.1-31-127.9-174.1-169.1-169.63.6111
264I39Very low36.7Very low147 Ų147138.8 Ų138.875%0.75472%0.724SS**  trans74.9150.8152.6-69.4156.1000118.3
265N30.8Very low36.9Very low138 Ų138140.6 Ų140.674%0.73873%0.725SS**  cis-170.6168.4-41.4-157.66.3000110.9
266C31.1Very low37.7Very low107 Ų107139 Ų13972%0.72372%0.717SS**  trans71.6117.5150.3-79.40000123.9
267Q37.4Very low37.6Very low170 Ų170141 Ų14179%0.79472%0.719SS**  trans-50.9170.2140.7-72.6-84.3-21.300112.7
268P40.5Very low37.6Very low104 Ų104137 Ų13768%0.67571%0.713SS**  cis-160.4-17839.945.6-22.6000121.3
269K33.4Very low37.6Very low169 Ų169137.8 Ų137.874%0.73572%0.717SS**  trans61.9115.3137.7-85.1178.1-179.4-176.60124.2
270Q34.7Very low37.9Very low153 Ų153135.3 Ų135.372%0.71572%0.717SS**  75138.5117.6-108.8175.3-29.200123.9
271N34Very low37.9Very low123 Ų123136.5 Ų136.566%0.65873%0.725SS**  trans105.3108.7146.3-59.6-19.1000122
272N33.7Very low38.1Very low140 Ų140135.4 Ų135.475%0.74973%0.731SS**  81.3145125.5-73.8-2.7000125.3
273I39.9Very low38.1Very low151 Ų151131.5 Ų131.577%0.77473%0.729SS**  trans94.6114.6144.9-78157.9000121.2
274T35Very low38.2Very low116 Ų116127.5 Ų127.571%0.71272%0.723SS**  trans70.6102.7148.1-63.60000120.3
275V38.6Very low38.1Very low129 Ų129130.9 Ų130.978%0.78273%0.727SS**  51.7155.674-84.20000117.7
276P52.9Low38.3Very low91 Ų91129.7 Ų129.759%0.59173%0.729SS**  cis-137.2-173.1-1.918.29.8000117.5
277F38.1Very low38.6Very low200 Ų200128.5 Ų128.588%0.87773%0.727SS**  trans88.4145.7158.9-60.1-71000119.2
278A40.5Very low38.6Very low75 Ų75127.3 Ų127.362%0.6273%0.726SS**  cis173.2156.5-26.600000107.6
279N39.1Very low38.4Very low148 Ų148128.5 Ų128.579%0.79173%0.731SS**  cis-158153.5-1.5-124.80.2000112
280S42.2Very low39.1Very low101 Ų101125.6 Ų125.671%0.70673%0.729SS**  trans33147.7144.661.20000122.9
281S42.4Very low39.2Very low107 Ų107127.1 Ų127.175%0.74873%0.734SS**  cis-167.4-170.3-10.157.40000106.9
282S41.5Very low39.3Very low100 Ų100125.6 Ų125.670%0.69973%0.733SS**  cis-144.7160.612.9-65.70000107.8
283A40.9Very low39.2Very low80 Ų80128.5 Ų128.566%0.66174%0.739SS**  cis81.1128.43300000114.6
284N37.3Very low38.8Very low129 Ų129124.9 Ų124.969%0.6973%0.731SS**  cis-168.4155.3-5.8-120.3-22.7000113.2
285R35.5Very low38.6Very low218 Ų218127.1 Ų127.182%0.82373%0.734SS**  trans37.9145.9137.4-66.1170.2-173-158.2-3121.3
286S35.4Very low38.3Very low112 Ų112129.4 Ų129.478%0.78374%0.736SS**  cis-162.6-151.6-6.5-79.50000107.2
287A38.2Very low37.2Very low82 Ų82128.5 Ų128.568%0.67874%0.737SS**  cis-163.1166.76.100000113.7
288D36.8Very low37.1Very low145 Ų145125.8 Ų125.878%0.77574%0.736SS**  trans36.997.5146.7-52-26.9000124.2
289V37Very low36.7Very low129 Ų129131.2 Ų131.278%0.78275%0.746SS**  50.513597.7174.80000119.8
290P47.5Very low36.5Very low108 Ų108128 Ų12870%0.70174%0.74SS**  cis-148.9-137.1-28.845.4-22.7000113.1
291F36.7Very low36.1Very low185 Ų185130.6 Ų130.681%0.81174%0.741SS**  trans96.689.5154-115.5-82.4000122.4
292S36.3Very low36Very low92 Ų92136.2 Ų136.264%0.64375%0.746SS**  trans67.2132.1134.787.20000125.8
293K31.8Very low35.9Very low201 Ų201137.2 Ų137.287%0.87474%0.744SS**  trans63.9113.3132-86.9-171.4173.4-177.60122.3
294A31.1Very low35.7Very low74 Ų74140.8 Ų140.861%0.61275%0.752SS**  104.7120.210800000121.1
295Q31.7Very low35.8Very low163 Ų163140.1 Ų140.176%0.76276%0.757SS**  trans71.8129.8136.2-70176.2-82.100121.5
296Q31.2Very low35.9Very low177 Ų177137.6 Ų137.683%0.82776%0.758SS**  trans68.2155.6151-66.8170.5-400116.8
297A29.7Very low35.8Very low73 Ų73137.3 Ų137.360%0.60376%0.762SS**  cis-167.5172.9-2800000107.9
298T36.6Very low35.7Very low142 Ų142137.6 Ų137.687%0.87177%0.765SS**  trans68.5161.2170780000115.7
299K32.4Very low35.7Very low189 Ų189140.2 Ų140.282%0.82277%0.773SS**  cis-170.9131.8-33.1169.4-173.8174.8-167.90107.4
300A34.5Very low35.6Very low82 Ų82143.5 Ų143.568%0.67878%0.779SS**  trans61.2171.6176.600000113.6
301E34.7Very low35.1Very low155 Ų155148.2 Ų148.272%0.72479%0.789SS**  cis-156.7139.34.9-153.7153.5-129.700109.6
302R39.5Very low35.1Very low224 Ų224147.6 Ų147.685%0.84579%0.788SS**  trans168.695.3148.4-95.9169-166.486-0.3113.6
303D39.3Very low35Very low122 Ų122150.3 Ų150.365%0.65280%0.8SS**  55.4106.6113.8-40.9-20.6000120.8
304D35.6Very low35.2Very low155 Ų155151.9 Ų151.983%0.82980%0.801SS**  70.8152.6125.9-70.5-5.9000124.3
305S40.9Very low35.4Very low115 Ų115157 Ų15780%0.80481%0.811SS**  trans68.1133-168.978.70000114
306I38Very low35.6Very low164 Ų164158.3 Ų158.384%0.84182%0.82SS**  cis-129.2138.87.4-62.7170.1000109.1
307A31.7Very low35.7Very low106 Ų106154.5 Ų154.588%0.87682%0.819SS**  trans-12698177.700000112.1
308A37.3Very low35.9Very low88 Ų88160.9 Ų160.973%0.72783%0.833SS**  trans-166.9108.4163.400000111
309E37Very low35.9Very low201 Ų201163.1 Ų163.194%0.93983%0.833SS**  trans165.663.5140.5-90.7-169.3150.500112.1
310E33.6Very low36.2Very low198 Ų198163.2 Ų163.293%0.92583%0.834SS**  trans-106.198.4159.3-87.4-155.6123.300110.5
311K37.7Very low36.2Very low207 Ų207164.5 Ų164.590%0.983%0.834SS**  trans-169162.6154-117.3164.6-174.7172.70113.8
312H36.3Very low36.2Very low172 Ų172165 Ų16580%0.79684%0.836SS**  trans80.561.6153.7-147.799000120.2
313V35.5Very low35.9Very low148 Ų148161.6 Ų161.690%0.89783%0.834SS**  trans-14473.7138.7-166.80000111.6
314R35Very low35.6Very low234 Ų234161.5 Ų161.588%0.88384%0.841SS**  trans-148.3151.4160.4-70.2-167.7178.7161.82.2109
315H35.6Very low35.5Very low181 Ų181162.1 Ų162.184%0.83884%0.839SS**  trans73.777.9-175.6-70.7-100.5000117.8
316M34.9Very low35.3Very low192 Ų192163.3 Ų163.395%0.94684%0.836SS**  trans-148.4140.7131.3-73.9-55.616400106.8
317A35.1Very low35.4Very low96 Ų96160.5 Ų160.579%0.79383%0.832SS**  cis-136155.6-7.400000109.7
318K33.5Very low35.7Very low207 Ų207161.6 Ų161.690%0.983%0.827SS**  trans-145.477.9180-152.8-163.4-168.4-1630109.8
319E35.8Very low35.7Very low189 Ų189162.3 Ų162.388%0.88383%0.827SS**  trans-159.1107.6171.7-125.9165.2-160.600113.5
320K39.7Very low35.7Very low192 Ų192156.7 Ų156.784%0.83581%0.81SS**  trans-173.2102.2148.3-101-178.9177.6-174.40104.5
321T34.4Very low35.9Very low109 Ų109155.2 Ų155.267%0.66981%0.807SS**  48.4131.286.259.50000113.9
322E34.5Very low35.8Very low164 Ų164150.1 Ų150.177%0.76680%0.798SS**  cis-170.9165.2-18.4-134.6168.1-168.900108.1
323L33.4Very low35.8Very low154 Ų154146.7 Ų146.781%0.80679%0.793SS**  trans62.4147.2175.4-81.966.1000115.2
324C33Very low35.8Very low120 Ų120146 Ų14681%0.81179%0.789SS**  cis-125.6159.38.6-77.80000112.4
325E33.6Very low35.8Very low167 Ų167139.9 Ų139.978%0.7878%0.782SS**  trans-102.8175.5174.1-59.8-178.8131.600112.6
326N36.4Very low35.9Very low140 Ų140136.1 Ų136.175%0.74977%0.774SS**  trans77141165.5-49.4-59.6000115.6
327S39.2Very low35.9Very low106 Ų106134.6 Ų134.674%0.74177%0.765SS**  cis-141.3153.320.1-59.20000115.1
328T37.7Very low36Very low128 Ų128135 Ų13579%0.78576%0.759SS**  trans-12.3156.2147.253.10000119.5
329S37.6Very low35.8Very low103 Ų103134 Ų13472%0.7276%0.757SS**  cis-177.7-156.2-9.957.20000107.7
330S37Very low35.6Very low83 Ų83133.8 Ų133.858%0.5876%0.757SS**  cis-172.3129.7-0.825.10000110.8
331L37.7Very low35.2Very low167 Ų167132.6 Ų132.687%0.87475%0.754SS**  trans61166.1155.8-72.996.1000117.1
332S36.4Very low34.9Very low100 Ų100134.5 Ų134.570%0.69976%0.76SS**  cis-170.7164.8-4.932.50000108.1
333S36Very low34.4Very low101 Ų101132.2 Ų132.271%0.70676%0.762SS**  cis-176.4-168-21.9580000107.9
334V35Very low34Very low133 Ų133133.3 Ų133.381%0.80676%0.761SS**  trans74.3139.1171.1-171.90000116.1
335S36.3Very low33.6Very low105 Ų105134.1 Ų134.173%0.73476%0.762SS**  cis-164.3168.3-31-95.10000109.2
336P37.6Very low33.3Very low103 Ų103130.7 Ų130.767%0.66975%0.752SS**  trans-115.8-158.1-149.742.9-34.1000117
337E34.8Very low32.7Very low160 Ų160129.8 Ų129.875%0.74876%0.756SS**  trans95.3146171-51.2-52.910500118
338P35.9Very low32.3Very low105 Ų105129.3 Ų129.368%0.68275%0.748SS**  -140.6-179.7-52.941.7-25.4000114.9
339E29.6Very low32.1Very low184 Ų184126.2 Ų126.286%0.8674%0.736SS**  trans23.7124.4163.5-35.8-152.8137.600122.4
340E32.8Very low32.2Very low186 Ų186125.1 Ų125.187%0.86972%0.722SS**  -171.3136.3108.1-104.7-178.5-177.400114.3
341E30Very low32.2Very low166 Ų166124.7 Ų124.778%0.77671%0.711SS**  trans42.5149.8157.9-58.5-146.913600126.6
342N28.8Very low32Very low149 Ų149121.4 Ų121.480%0.79769%0.693SS**  trans69.971.4154.4-66.6-45.6000120.2
343S23.4Very low32.4Very low117 Ų117119.6 Ų119.682%0.81868%0.68SS**  trans-110.8115.5158.971.60000113.3
344F24.9Very low32.7Very low177 Ų177115 Ų11578%0.77665%0.647SS**  trans-157.283.9146.3-153.8-96.9000112.5T346F344-T346 HydrophobicContact CD1-CG2 4.09Å; F344-T346 HydrophobicContact CE1-CG2 3.41Å; F344-T346 VanDerWaalsContact CE1-CG2 3.41Å; F344-T346 HydrophobicContact CE2-CG2 4.2Å; F344-T346 HydrophobicContact CZ-CG2 3.47Å; F344-T346 VanDerWaalsContact CZ-CG2 3.47Å
345V24.2Very low32.7Very low136 Ų136109.3 Ų109.382%0.82461%0.613SS**  trans-110.9109.2170.3179.50000108.8
346T27.4Very low32.9Very low95 Ų95110.6 Ų110.658%0.58361%0.607SS**  trans-117.998.2175.652.40000111F344F344-T346 HydrophobicContact CD1-CG2 4.09Å; F344-T346 HydrophobicContact CE1-CG2 3.41Å; F344-T346 VanDerWaalsContact CE1-CG2 3.41Å; F344-T346 HydrophobicContact CE2-CG2 4.2Å; F344-T346 HydrophobicContact CZ-CG2 3.47Å; F344-T346 VanDerWaalsContact CZ-CG2 3.47Å
347C24.8Very low33.3Very low122 Ų122108.7 Ų108.782%0.82459%0.586SS**  trans-68.7127.6167.4-59.20000109.8
348T30.7Very low33.9Very low95 Ų95101.8 Ų101.858%0.58356%0.555SS**  trans-85.3131176.545.30000110.6D350T348-D350 PolarHBondContact O-N 2.99Å
349A32.4Very low34.1Very low63 Ų63100.4 Ų100.452%0.52154%0.541SS..THydrogen-bonded Turntrans-68.913.8-173.300000115.8I352A349-I352 HydrophobicContact CB-CD1 4.28Å
350D41.2Very low34.6Very low81 Ų8194 Ų9443%0.43352%0.517SS..THydrogen-bonded Turntrans-93.5-19-172.2-57.2-34.2000112.6K93 T348 I352K93-D350 IonicContact NZ-OD1 2.65Å; K93-D350 PolarHBondContact NZ-OD1 2.87Å; K93-D350 IonicContact NZ-OD2 2.71Å; T348-D350 PolarHBondContact O-N 2.99Å; D350-I352 VanDerWaalsContact C-N 3.27Å; D350-I352 PolarHBondContact O-N 2.86Å
351E36.8Very low35.1Very low73 Ų7387.9 Ų87.934%0.34149%0.488SS..THydrogen-bonded Turntrans-68-26.8175.7-57.4-162.6162.500112.7C353 I354 K505E351-C353 PolarHBondContact O-N 2.83Å; E351-C353 VanDerWaalsContact O-N 3.13Å; E351-I354 PolarHBondContact O-N 3.08Å; E351-K505 IonicContact OE1-NZ 3.53Å; E351-K505 PolarHBondContact OE1-NZ 3.04Å; E351-K505 IonicContact OE2-NZ 3.52Å; E351-K505 PolarHBondContact OE2-NZ 2.89Å
352I33.8Very low35.6Very low99 Ų9985.1 Ų85.151%0.50848%0.475SS..Hα-helixtrans-60.7-24-177.5-58.2171.6000112.6A349 D350 I354 T355 H356A349-I352 HydrophobicContact CB-CD1 4.28Å; D350-I352 VanDerWaalsContact C-N 3.27Å; D350-I352 PolarHBondContact O-N 2.86Å; I352-I354 PolarHBondContact O-N 2.93Å; I352-T355 PolarHBondContact O-OG1 3.33Å; I352-T355 VanDerWaalsContact O-OG1 3.12Å; I352-H356 PolarHBondContact O-N 3.24Å
353C43Very low35.9Very low62 Ų6284 Ų8442%0.41947%0.469SS..Hα-helixtrans-69.7-33.9-175.3-1640000112.9E351 R357E351-C353 PolarHBondContact O-N 2.83Å; E351-C353 VanDerWaalsContact O-N 3.13Å; C353-R357 PolarHBondContact O-N 2.88Å
354I43Very low36.4Very low5 Ų586.1 Ų86.13%0.02647%0.468CS..Hα-helixtrans-70.1-46.7-177.8-57.4165000109.5E351 I352 H356 R357 V358 L475 Y492E351-I354 PolarHBondContact O-N 3.08Å; I352-I354 PolarHBondContact O-N 2.93Å; I354-H356 VanDerWaalsContact C-N 3.34Å; I354-H356 PolarHBondContact O-N 2.99Å; I354-R357 PolarHBondContact O-N 2.88Å; I354-V358 WeakPolarHBondContact O-CG2 3.37Å; I354-V358 PolarHBondContact O-N 3.33Å; I354-L475 HydrophobicContact CG2-CD1 3.71Å; I354-Y492 HydrophobicContact CD1-CD2 4.34Å; I354-Y492 HydrophobicContact CD1-CE2 3.49Å; I354-Y492 VanDerWaalsContact CD1-CE2 3.49Å; I354-Y492 HydrophobicContact CG1-CE2 4.46Å
355T36Very low36.9Very low12 Ų1283.2 Ų83.27%0.07446%0.461CS..Hα-helixtrans-65.1-38.1-179.258.40000111.3I352 R357 V358 I359 E471I352-T355 PolarHBondContact O-OG1 3.33Å; I352-T355 VanDerWaalsContact O-OG1 3.12Å; T355-R357 VanDerWaalsContact C-N 3.34Å; T355-R357 PolarHBondContact O-N 3.06Å; T355-V358 PolarHBondContact O-N 2.84Å; T355-I359 VanDerWaalsContact O-CB 3.29Å; T355-I359 WeakPolarHBondContact O-CB 3.47Å; T355-I359 WeakPolarHBondContact O-CD1 3.46Å; T355-I359 WeakPolarHBondContact O-CG1 3.06Å; T355-I359 PolarHBondContact O-N 3.11Å; T355-E471 HydrophobicContact CG2-CB 4.48Å; T355-E471 HydrophobicContact CG2-CG 4.35Å
356H39.3Very low37.2Very low132 Ų13283.6 Ų83.661%0.61146%0.458SS*.Hα-helixtrans-58.6-41175.8-165.4-75.7000113I352 I354 S360I352-H356 PolarHBondContact O-N 3.24Å; I354-H356 VanDerWaalsContact C-N 3.34Å; I354-H356 PolarHBondContact O-N 2.99Å; H356-S360 PolarHBondContact ND1-OG 3.1Å; H356-S360 WeakPolarHBondContact O-CB 3.39Å; H356-S360 PolarHBondContact O-N 2.87Å; H356-S360 PolarHBondContact O-OG 2.97Å
357R46.3Very low37.2Very low63 Ų6387 Ų8724%0.23847%0.472CS..Hα-helixtrans-70.4-41.5179.4-158.8176.2-167.7153.11.8111.9C353 I354 T355 S360 Q361 E415 E497C353-R357 PolarHBondContact O-N 2.88Å; I354-R357 PolarHBondContact O-N 2.88Å; T355-R357 VanDerWaalsContact C-N 3.34Å; T355-R357 PolarHBondContact O-N 3.06Å; R357-S360 PolarHBondContact O-N 3.44Å; R357-Q361 PolarHBondContact O-N 3.39Å; R357-E415 IonicContact CZ-OE1 3.45Å; R357-E415 IonicContact NE-OE1 3.41Å; R357-E415 IonicContact NH2-OE1 2.7Å; R357-E415 PolarHBondContact NH2-OE1 3.19Å; R357-E497 IonicContact CZ-OE1 3.63Å; R357-E497 IonicContact NH1-OE1 2.83Å; R357-E497 PolarHBondContact NH1-OE1 2.9Å
358V47.3Very low37.5Very low15 Ų1587 Ų879%0.09147%0.468CS..Hα-helixtrans-64.9-40.6176174.90000111.8I354 T355 F442I354-V358 WeakPolarHBondContact O-CG2 3.37Å; I354-V358 PolarHBondContact O-N 3.33Å; T355-V358 PolarHBondContact O-N 2.84Å; V358-F442 HydrophobicContact CG1-CE1 4.3Å; V358-F442 HydrophobicContact CG1-CE2 3.79Å; V358-F442 HydrophobicContact CG1-CZ 3.57Å
359I40.5Very low37.3Very low76 Ų7689.2 Ų89.239%0.3948%0.476SS..Hα-helixtrans-73.2-33.7178-66.6165000111.4T355 Q361 Q362T355-I359 VanDerWaalsContact O-CB 3.29Å; T355-I359 WeakPolarHBondContact O-CB 3.47Å; T355-I359 WeakPolarHBondContact O-CD1 3.46Å; T355-I359 WeakPolarHBondContact O-CG1 3.06Å; T355-I359 PolarHBondContact O-N 3.11Å; I359-Q361 PolarHBondContact O-N 3.48Å; I359-Q362 WeakPolarHBondContact O-CB 3.48Å; I359-Q362 PolarHBondContact O-N 2.83Å
360S39.8Very low37.3Very low51 Ų5194.5 Ų94.536%0.35749%0.49SS..Hα-helixtrans-56.4-40.1175.4-63.20000111.8H356 R357 Q362 N363 M364H356-S360 PolarHBondContact ND1-OG 3.1Å; H356-S360 WeakPolarHBondContact O-CB 3.39Å; H356-S360 PolarHBondContact O-N 2.87Å; H356-S360 PolarHBondContact O-OG 2.97Å; R357-S360 PolarHBondContact O-N 3.44Å; S360-Q362 PolarHBondContact O-N 3.38Å; S360-N363 PolarHBondContact O-N 2.8Å; S360-M364 WeakPolarHBondContact O-CG 3.47Å; S360-M364 PolarHBondContact O-N 3.22Å
361Q43.4Very low36.7Very low57 Ų5798 Ų9827%0.26651%0.509SS..Hα-helixtrans-71.8-10.9176.2-66.8-171.2-2.900114.5R357 I359R357-Q361 PolarHBondContact O-N 3.39Å; I359-Q361 PolarHBondContact O-N 3.48Å
362Q41.3Very low36.5Very low108 Ų108104.3 Ų104.351%0.50554%0.536SS..Hα-helixtrans-81.7-29.3172.9-61.5-179.12.700112I359 S360I359-Q362 WeakPolarHBondContact O-CB 3.48Å; I359-Q362 PolarHBondContact O-N 2.83Å; S360-Q362 PolarHBondContact O-N 3.38Å
363N34.2Very low36.5Very low125 Ų125104.3 Ų104.367%0.66854%0.544SS*.Hα-helixtrans-86.7-20.6179.2-83.5-7.8000114.6S360 N365 N366S360-N363 PolarHBondContact O-N 2.8Å; N363-N365 PolarHBondContact O-N 3.42Å; N363-N366 PolarHBondContact O-N 2.87Å
364M34.7Very low35.9Very low161 Ų161106.5 Ų106.579%0.79356%0.56SS**THydrogen-bonded Turntrans-70.30.4-175.5-69.4-68.4-7800115.2S360S360-M364 WeakPolarHBondContact O-CG 3.47Å; S360-M364 PolarHBondContact O-N 3.22Å
365N34.1Very low35.5Very low117 Ų117109.8 Ų109.863%0.62660%0.596SS**THydrogen-bonded Turntrans-92.1-7.3179.7-89.146.1000114.6N363N363-N365 PolarHBondContact O-N 3.42Å
366N30.4Very low35.6Very low144 Ų144116.5 Ų116.577%0.7763%0.631SS**SBendtrans-121.810.6-165.6-83.6-6.7000116.3N363N363-N366 PolarHBondContact O-N 2.87Å
367L29.2Very low35.6Very low166 Ų166118.7 Ų118.787%0.86964%0.641SS**  trans-117.274.2179.9-150.675.7000113
368V29.9Very low35.1Very low122 Ų122123.5 Ų123.574%0.73967%0.672SS**  trans-103.3128.6162.7174.30000107.6
369N26Very low34.5Very low141 Ų141125.9 Ų125.975%0.75470%0.7SS**  trans60.7103.8-179.1-54.4-22.5000115.9
370E33Very low34.1Very low174 Ų174129.5 Ų129.581%0.81372%0.72SS**  -147.2146.6120.3-79.8-139.9136.900109
371N28.4Very low33.7Very low155 Ų155137.1 Ų137.183%0.82975%0.747SS**  trans-107.4125.5175.2-57.9-72.7000108.6
372F32.2Very low33.2Very low206 Ų206140.2 Ų140.290%0.90477%0.769SS**  trans-142.1158.2161.7-102.5-75.6000112.3
373S34.1Very low32.7Very low99 Ų99139.5 Ų139.569%0.69278%0.776SS**  trans-112.8151.4-154.3-165.70000114.3
374S31.5Very low32.5Very low107 Ų107140.7 Ų140.775%0.74878%0.776SS**  trans28.9121.114758.70000120.1
375G34.5Very low32.3Very low75 Ų75143 Ų14377%0.77378%0.775SS**  trans-170.891.8165.300000113.2
376D37.2Very low32.4Very low153 Ų153141.7 Ų141.782%0.81878%0.776SS**  trans-11.4152.1150-38-35.3000117.5
377E39.5Very low32.6Very low177 Ų177139.5 Ų139.583%0.82776%0.764SS**  cis-158.6-176-5.1-131.7-170.5162.900111.2
378D36.2Very low32.7Very low164 Ų164135.6 Ų135.688%0.87775%0.75SS**  trans72155.5156.3-117.2-20.8000120.7
379G33.2Very low32.9Very low66 Ų66133.8 Ų133.868%0.6875%0.748SS**  trans151.8-43.2153.200000121.1
380N33.1Very low33.2Very low152 Ų152134.3 Ų134.381%0.81375%0.75SS**  trans-160.1125.1-179.7-139.2-33.6000117.1
381K31.4Very low33.2Very low211 Ų211129.9 Ų129.992%0.91774%0.738SS**  trans-95.199.8174.4-82.2175.8175.91660111.2
382V33.2Very low33.3Very low121 Ų121129 Ų12973%0.73373%0.733SS**  trans-110.7132.8164-176.20000109.3F384V382-F384 PolarHBondContact O-N 3.25Å
383S30.1Very low33.3Very low94 Ų94127.1 Ų127.166%0.65773%0.727SS**  trans-61.297.7-167171.40000114.6R385S383-R385 PolarHBondContact O-N 2.98Å
384F29.5Very low33.4Very low150 Ų150130.8 Ų130.866%0.65873%0.734SS**  trans-68.794.7160.8-99.8-100.2000110.1V382 L387V382-F384 PolarHBondContact O-N 3.25Å; F384-L387 HydrophobicContact CD1-CD1 4.41Å; F384-L387 HydrophobicContact CE1-CD1 3.89Å
385R31.4Very low33.4Very low208 Ų208133 Ų13379%0.78574%0.737SS**  trans-127.3-5.7172.2-86.2-170.6169.4-165.9-2.8115.9S383S383-R385 PolarHBondContact O-N 2.98Å
386S36.1Very low33.6Very low90 Ų90135.4 Ų135.463%0.62974%0.736SS**SBendtrans-112.518-174.1-44.20000114.9
387L35.7Very low33.5Very low99 Ų99133.9 Ų133.952%0.51873%0.732SS.*SBendtrans-131.1-8.1177.3-72.9174.2000114.4F384 M547F384-L387 HydrophobicContact CD1-CD1 4.41Å; F384-L387 HydrophobicContact CE1-CD1 3.89Å; L387-M547 HydrophobicContact CD2-SD 4.41Å
388S31Very low33.1Very low83 Ų83132.4 Ų132.458%0.5873%0.73SS**G310 helixtrans-83-13175.8390000113.9L390 S391S388-L390 PolarHBondContact O-N 3.27Å; S388-S391 PolarHBondContact O-N 2.82Å
389A33.3Very low32.8Very low85 Ų85130.2 Ų130.270%0.70273%0.727SS**G310 helixtrans-71.9-10.9-177.700000114.7
390L32.4Very low32.6Very low151 Ų151133.4 Ų133.479%0.79174%0.738SS**G310 helixtrans-103.214179.9-62177.7000113.4S388S388-L390 PolarHBondContact O-N 3.27Å
391S33.5Very low32.5Very low82 Ų82129.1 Ų129.157%0.57373%0.73SS**SBendtrans-104.9-22.1-179.4-166.10000114.3S388S388-S391 PolarHBondContact O-N 2.82Å
392N29.7Very low32.3Very low135 Ų135126 Ų12672%0.72273%0.728SS**  trans-132.273.5-166.8-65.24.3000110.9
393H32.6Very low32.5Very low168 Ų168126.3 Ų126.378%0.77873%0.73SS**  trans-156.186.6156.5-120.4-58.2000110.9
394E35.7Very low32.9Very low176 Ų176129.9 Ų129.982%0.82274%0.736SS**  trans-72.1165.3149.5-65.2175.3137.600108.3
395D33Very low33.8Very low153 Ų153129 Ų12982%0.81873%0.734SS**  trans54.264.4168.9-60.6-19.3000119.3
396V36.9Very low34.7Very low126 Ų126120.6 Ų120.676%0.76471%0.706SS**  trans-136.6113.3136-174.50000110.1
397V35.7Very low35.4Very low121 Ų121118.6 Ų118.673%0.73370%0.7SS**  trans-96.5148173.3174.20000110.3
398N31.4Very low36.7Very low146 Ų146117.1 Ų117.178%0.78169%0.69SS**  trans104.6133.1166-73.9-33.2000120
399S29.9Very low38.4Very low117 Ų117122.2 Ų122.282%0.81870%0.704SS**  trans81.959.1144.9-59.10000120.9
400C29.7Very low40.6Very low133 Ų133124.1 Ų124.190%0.89970%0.703SS**SBendtrans-153.6132.3133.4-156.40000112.6
401G29.8Very low43.2Very low62 Ų62118 Ų11864%0.63968%0.676SS**  trans28.2113.816500000120.3V403G401-V403 PolarHBondContact O-N 3.4Å
402V27.8Very low46Very low145 Ų145114.5 Ų114.588%0.87965%0.651SS**  trans-64104.4154.7177.90000107.7
403V37.2Very low49Very low128 Ų128110.5 Ų110.578%0.77663%0.629SS**PPolyproline II helixtrans-78.6117.1166.1-179.20000106.4G401G401-V403 PolarHBondContact O-N 3.4Å
404E39.7Very low51.9Low170 Ų170103 Ų10379%0.79460%0.595SS**PPolyproline II helixtrans-57.1141.8172.7-61.4-177.6146.400109.5P406E404-P406 WeakPolarHBondContact O-CD 3.14Å
405E46.9Very low54.5Low131 Ų13198.2 Ų98.261%0.61257%0.572SS**PPolyproline II helixtrans-50.7116.5175.5-81.4-82.4118.900108.6G407 N583E405-G407 PolarHBondContact O-N 3.49Å; E405-G407 VanDerWaalsContact O-N 3.08Å; E405-N583 PolarHBondContact OE1-ND2 3.06Å; E405-N583 PolarHBondContact OE2-ND2 3.43Å
406P50.8Low57.3Low31 Ų3191.7 Ų91.720%0.20154%0.538CS..PPolyproline II helixtrans-63.8118.4-177.724.9-32.5000108.1E404 F408 Y576E404-P406 WeakPolarHBondContact O-CD 3.14Å; P406-F408 HydrophobicContact CG-CE2 4.05Å; P406-F408 HydrophobicContact CG-CZ 4.44Å; P406-F408 WeakPolarHBondContact O-CD2 3.4Å; P406-F408 WeakPolarHBondContact O-CE2 3.32Å; P406-F408 PolarHBondContact O-N 3.29Å; P406-Y576 HydrophobicContact CB-CE1 4.35Å; P406-Y576 HydrophobicContact CB-CE2 4.23Å; P406-Y576 HydrophobicContact CG-CD1 4.21Å; P406-Y576 HydrophobicContact CG-CE1 3.73Å; P406-Y576 HydrophobicContact CG-CE2 4.31Å
407G51.8Low59.8Low49 Ų4986.1 Ų86.151%0.50550%0.504SS..  trans-55.395.5-16600000114E405 E409 N410E405-G407 PolarHBondContact O-N 3.49Å; E405-G407 VanDerWaalsContact O-N 3.08Å; G407-E409 PolarHBondContact O-N 3.32Å; G407-N410 PolarHBondContact O-N 2.8Å
408F62.9Low62.4Low68 Ų6885.2 Ų85.230%0.29849%0.491SS..G310 helixtrans-63.3-12.1178.8-76.2-87.1000113.5P406 N410 G411 V554 Y576 N583P406-F408 HydrophobicContact CG-CE2 4.05Å; P406-F408 HydrophobicContact CG-CZ 4.44Å; P406-F408 WeakPolarHBondContact O-CD2 3.4Å; P406-F408 WeakPolarHBondContact O-CE2 3.32Å; P406-F408 PolarHBondContact O-N 3.29Å; F408-N410 PolarHBondContact O-N 2.81Å; F408-G411 PolarHBondContact O-N 2.63Å; F408-V554 HydrophobicContact CD1-CB 4.29Å; F408-V554 HydrophobicContact CD1-CG1 4.06Å; F408-V554 HydrophobicContact CD1-CG2 4.21Å; F408-V554 HydrophobicContact CE1-CB 4.12Å; F408-V554 HydrophobicContact CE1-CG1 4.33Å; F408-V554 HydrophobicContact CE1-CG2 4.15Å; F408-Y576 HydrophobicContact CZ-CG 4.4Å; F408-N583 HydrophobicContact CE2-CB 4.13Å; F408-N583 VanDerWaalsContact CE2-CG 3.43Å; F408-N583 WeakPolarHBondContact CE2-ND2 3.32Å; F408-N583 HydrophobicContact CZ-CB 3.89Å; F408-N583 VanDerWaalsContact CZ-CG 3.47Å; F408-N583 WeakPolarHBondContact CZ-OD1 3.34Å
409E65.8Low65.3Low190 Ų19078.6 Ų78.689%0.88846%0.455SS*.G310 helixtrans-54.3-31.4176.3-55.9-176160.300112.8G407G407-E409 PolarHBondContact O-N 3.32Å
410N78.9Confident68Low124 Ų12476.3 Ų76.366%0.66343%0.433SS*.G310 helixtrans-109.324175.4-69.7-4.5000113.1G407 F408 W562G407-N410 PolarHBondContact O-N 2.8Å; F408-N410 PolarHBondContact O-N 2.81Å; N410-W562 PolarHBondContact O-NE1 2.89Å
411G88.4Confident70.8Confident23 Ų2371.9 Ų71.924%0.23740%0.401CS..EExtended strand (participates in β ladder)trans-94.9144.7176.500000113.1F408 A555F408-G411 PolarHBondContact O-N 2.63Å; G411-A555 WeakPolarHBondContact CA-O 3.32Å
412V91Very high73.6Confident8 Ų869 Ų695%0.04837%0.37CS..EExtended strand (participates in β ladder)trans-112.6135.6170.6-61.90000110.9I414 F521 V554 A555 W562V412-I414 HydrophobicContact CG2-CG2 4.15Å; V412-F521 HydrophobicContact CG2-CZ 4.26Å; V412-V554 CarbonylContact O-C 3.51Å; V412-V554 WeakPolarHBondContact O-CA 3.23Å; V412-A555 HydrophobicContact CG2-CB 4.07Å; V412-A555 PolarHBondContact N-O 3.2Å; V412-A555 PolarHBondContact O-N 3.38Å; V412-W562 HydrophobicContact CG1-CB 4.41Å; V412-W562 HydrophobicContact CG1-CD2 3.73Å; V412-W562 HydrophobicContact CG1-CE3 4.29Å; V412-W562 HydrophobicContact CG1-CG 3.78Å; V412-W562 HydrophobicContact CG1-CZ2 4.44Å; V412-W562 HydrophobicContact CG2-CD2 4.07Å; V412-W562 HydrophobicContact CG2-CE3 4.08Å; V412-W562 HydrophobicContact CG2-CH2 3.56Å; V412-W562 HydrophobicContact CG2-CZ2 3.54Å; V412-W562 HydrophobicContact CG2-CZ3 3.84Å
413I92.5Very high76.7Confident51 Ų5162.2 Ų62.226%0.26233%0.329SS..EExtended strand (participates in β ladder)trans-72.9136.7175.5-53.8175000108.1R429 A430 D431 Q552 V553I413-R429 CarbonylContact O-C 3.6Å; I413-R429 WeakPolarHBondContact O-CA 3.25Å; I413-A430 HydrophobicContact CG2-CB 4.25Å; I413-A430 PolarHBondContact O-N 3.41Å; I413-D431 HydrophobicContact CB-CB 4.42Å; I413-Q552 HydrophobicContact CG2-CB 4.45Å; I413-Q552 HydrophobicContact CG2-CG 4.44Å; I413-V553 WeakPolarHBondContact CA-O 3.33Å
414I93.5Very high79.3Confident10 Ų1057.2 Ų57.25%0.05130%0.297CS..EExtended strand (participates in β ladder)trans-134.7149.4-173.348.8152.1000114.3V412 F427 V428 F521 V553 A555 L575V412-I414 HydrophobicContact CG2-CG2 4.15Å; I414-F427 HydrophobicContact CB-CB 4.49Å; I414-F427 HydrophobicContact CB-CD1 4.34Å; I414-F427 HydrophobicContact CD1-CD1 3.32Å; I414-F427 HydrophobicContact CD1-CE1 3.45Å; I414-F427 VanDerWaalsContact CD1-CE1 3.45Å; I414-F427 HydrophobicContact CD1-CG 4.19Å; I414-F427 HydrophobicContact CD1-CZ 4.43Å; I414-F427 HydrophobicContact CG1-CD1 4.41Å; I414-F427 HydrophobicContact CG2-CB 4.32Å; I414-V428 CarbonylContact C-O 3.59Å; I414-V428 VanDerWaalsContact CA-O 3.31Å; I414-V428 WeakPolarHBondContact CA-O 3.37Å; I414-F521 HydrophobicContact CG2-CE1 4.06Å; I414-F521 HydrophobicContact CG2-CZ 3.76Å; I414-V553 HydrophobicContact CD1-CB 4.32Å; I414-V553 HydrophobicContact CD1-CG1 3.74Å; I414-V553 HydrophobicContact CG1-CB 4.05Å; I414-V553 HydrophobicContact CG1-CG1 3.94Å; I414-V553 WeakPolarHBondContact CG1-O 3.34Å; I414-V553 PolarHBondContact N-O 2.75Å; I414-A555 HydrophobicContact CD1-CB 4.01Å; I414-A555 HydrophobicContact CG1-CB 4.21Å; I414-A555 HydrophobicContact CG2-CB 4.06Å; I414-L575 HydrophobicContact CD1-CD2 3.88Å
415E91.7Very high81.8Confident76 Ų7649.1 Ų49.136%0.35526%0.26SS..EExtended strand (participates in β ladder)trans-104.1139.7160.3-170.3-168.3130.400109.3R357 F427 V428 A430R357-E415 IonicContact CZ-OE1 3.45Å; R357-E415 IonicContact NE-OE1 3.41Å; R357-E415 IonicContact NH2-OE1 2.7Å; R357-E415 PolarHBondContact NH2-OE1 3.19Å; E415-F427 WeakPolarHBondContact O-CA 3.3Å; E415-V428 HydrophobicContact CB-CG2 3.85Å; E415-V428 PolarHBondContact N-O 2.69Å; E415-V428 PolarHBondContact O-N 3.25Å; E415-A430 HydrophobicContact CB-CB 4.37Å
416V91.1Very high84Confident17 Ų1743.2 Ų43.210%0.10323%0.233CC..EExtended strand (participates in β ladder)trans-82.2121.2173.8175.50000110.4F419 I425 F427 F544V416-F419 HydrophobicContact CG1-CD2 4.23Å; V416-F419 HydrophobicContact CG1-CE2 4.13Å; V416-I425 HydrophobicContact CG1-CG2 3.8Å; V416-F427 HydrophobicContact CG2-CD1 3.99Å; V416-F427 HydrophobicContact CG2-CE1 3.82Å; V416-F544 HydrophobicContact CG2-CD1 4.06Å; V416-F544 HydrophobicContact CG2-CE1 3.53Å; V416-F544 HydrophobicContact CG2-CZ 4.37Å
417V90.3Very high86Confident8 Ų841.8 Ų41.85%0.04822%0.223CC..EExtended strand (participates in β ladder)trans-85.8-61.9177.41730000110.6T426 V428 V495 G496 E497V417-T426 WeakPolarHBondContact CB-O 3.46Å; V417-T426 WeakPolarHBondContact CB-OG1 3.48Å; V417-T426 WeakPolarHBondContact CG1-OG1 3.23Å; V417-T426 PolarHBondContact N-O 3.36Å; V417-V428 HydrophobicContact CG2-CB 4.4Å; V417-V428 HydrophobicContact CG2-CG1 3.91Å; V417-V428 HydrophobicContact CG2-CG2 3.99Å; V417-V495 WeakPolarHBondContact CG2-O 3.25Å; V417-G496 WeakPolarHBondContact CG1-O 3.43Å; V417-E497 HydrophobicContact CG1-CG 3.51Å
418K90Very high88Confident102 Ų10240 Ų4044%0.44320%0.202SC..EExtended strand (participates in β ladder)trans-155.3140.3179.2-157.5-150.5170.3-158.20112.3L420 I425 T426K418-L420 HydrophobicContact CD-CD2 4.3Å; K418-I425 CarbonylContact O-C 3.52Å; K418-I425 WeakPolarHBondContact O-CA 3.45Å; K418-T426 PolarHBondContact N-O 2.6Å; K418-T426 PolarHBondContact N-OG1 3.24Å; K418-T426 PolarHBondContact O-N 3.07Å; K418-T426 PolarHBondContact O-OG1 3.3Å
419F90.9Very high89.4Confident8 Ų838.2 Ų38.24%0.03519%0.194CC..EExtended strand (participates in β ladder)trans-72.5142.1162.4-79.3-115.2000110.6V416 I425 M525 I537 L540 F544V416-F419 HydrophobicContact CG1-CD2 4.23Å; V416-F419 HydrophobicContact CG1-CE2 4.13Å; F419-I425 HydrophobicContact CD1-CD1 3.86Å; F419-I425 HydrophobicContact CD1-CG1 3.69Å; F419-I425 HydrophobicContact CD2-CD1 4.22Å; F419-I425 HydrophobicContact CD2-CG1 4.16Å; F419-I425 HydrophobicContact CD2-CG2 4.5Å; F419-I425 HydrophobicContact CE1-CD1 3.46Å; F419-I425 VanDerWaalsContact CE1-CD1 3.46Å; F419-I425 HydrophobicContact CE1-CG1 3.86Å; F419-I425 HydrophobicContact CE2-CD1 3.83Å; F419-I425 HydrophobicContact CE2-CG1 4.29Å; F419-I425 HydrophobicContact CG-CD1 4.23Å; F419-I425 HydrophobicContact CG-CG1 3.86Å; F419-I425 HydrophobicContact CZ-CD1 3.43Å; F419-I425 VanDerWaalsContact CZ-CD1 3.43Å; F419-I425 HydrophobicContact CZ-CG1 4.15Å; F419-M525 HydrophobicContact CE1-CE 4.3Å; F419-I537 HydrophobicContact CB-CD1 3.88Å; F419-I537 HydrophobicContact CB-CG1 3.6Å; F419-I537 HydrophobicContact CD1-CD1 4.17Å; F419-I537 HydrophobicContact CG-CD1 4.46Å; F419-L540 HydrophobicContact CD1-CD2 3.84Å; F419-L540 HydrophobicContact CD1-CG 4.19Å; F419-L540 HydrophobicContact CE1-CD2 3.72Å; F419-L540 HydrophobicContact CE1-CG 3.87Å; F419-L540 HydrophobicContact CZ-CG 4.44Å; F419-F544 HydrophobicContact CE2-CB 3.77Å; F419-F544 HydrophobicContact CE2-CD1 4.18Å; F419-F544 HydrophobicContact CE2-CD2 4.31Å; F419-F544 AromaticContact CE2-CG 3.84Å; F419-F544 HydrophobicContact CE2-CG 3.84Å; F419-F544 HydrophobicContact CZ-CB 3.76Å; F419-F544 HydrophobicContact CZ-CD1 4.38Å; F419-F544 AromaticContact CZ-CD2 3.71Å; F419-F544 HydrophobicContact CZ-CD2 3.71Å; F419-F544 HydrophobicContact CZ-CE2 4.35Å; F419-F544 AromaticContact CZ-CG 3.7Å; F419-F544 HydrophobicContact CZ-CG 3.7Å
420L88.2Confident90.7Very high69 Ų6930.8 Ų30.836%0.36117%0.165SC..SBendtrans-109.6-46.3174.6-53.4-177.3000110.9K418 E424 T426 V522K418-L420 HydrophobicContact CD-CD2 4.3Å; L420-E424 WeakPolarHBondContact CA-O 3.38Å; L420-E424 WeakPolarHBondContact CB-O 3.31Å; L420-E424 HydrophobicContact CD1-CG 4.48Å; L420-E424 PolarHBondContact N-O 2.94Å; L420-T426 HydrophobicContact CD1-CG2 3.89Å; L420-T426 HydrophobicContact CD2-CG2 4.18Å; L420-T426 HydrophobicContact CG-CG2 4.15Å; L420-V522 HydrophobicContact CD1-CG1 4.03Å
421D88.6Confident91.2Very high40 Ų4026.1 Ų26.121%0.21414%0.14CC..SBendtrans-136.8176.6166.6-167.8-10.9000107.2D423 E424 N531D421-D423 PolarHBondContact O-N 3.42Å; D421-E424 HydrophobicContact CB-CB 4.32Å; D421-E424 PolarHBondContact N-O 3.17Å; D421-E424 VanDerWaalsContact N-O 3.08Å; D421-E424 PolarHBondContact O-N 3.37Å; D421-E424 VanDerWaalsContact O-O 3.06Å; D421-N531 PolarHBondContact OD1-N 3.27Å
422A88.4Confident91.2Very high0 Ų030 Ų300%016%0.164CC..SBendtrans-60.3-27.917800000113.6M525 V528 W533 L540A422-M525 WeakPolarHBondContact O-CE 3.4Å; A422-V528 WeakPolarHBondContact O-CG1 3.44Å; A422-W533 HydrophobicContact CB-CB 3.82Å; A422-L540 HydrophobicContact CB-CD2 4.14Å
423D92.4Very high91.2Very high4 Ų435.5 Ų35.52%0.02119%0.189CC..SBendtrans-100.9-13.4175.481.5-34.4000114D421 K524 M525 V528 R530D421-D423 PolarHBondContact O-N 3.42Å; D423-K524 CarbonylContact O-C 3.59Å; D423-K524 VanDerWaalsContact O-CA 3.25Å; D423-K524 WeakPolarHBondContact O-CA 3.48Å; D423-K524 VanDerWaalsContact OD2-CE 3.25Å; D423-K524 WeakPolarHBondContact OD2-CE 3.43Å; D423-M525 PolarHBondContact O-N 3.13Å; D423-V528 HydrophobicContact CB-CB 4.02Å; D423-V528 HydrophobicContact CB-CG1 4.24Å; D423-V528 WeakPolarHBondContact CB-O 3.45Å; D423-R530 HydrophobicContact CB-CG 4.46Å; D423-R530 VanDerWaalsContact CG-CG 3.41Å; D423-R530 VanDerWaalsContact CG-NH2 3.31Å; D423-R530 VanDerWaalsContact OD1-CG 3.27Å; D423-R530 WeakPolarHBondContact OD1-CG 3.39Å; D423-R530 IonicContact OD1-CZ 2.65Å; D423-R530 IonicContact OD1-NE 3.26Å; D423-R530 PolarHBondContact OD1-NE 3.12Å; D423-R530 IonicContact OD1-NH2 3.64Å; D423-R530 PolarHBondContact OD1-NH2 3.22Å; D423-R530 VanDerWaalsContact OD2-CG 3.27Å; D423-R530 WeakPolarHBondContact OD2-CG 3.49Å; D423-R530 IonicContact OD2-CZ 2.73Å; D423-R530 VanDerWaalsContact OD2-CZ 3.26Å; D423-R530 IonicContact OD2-NE 2.67Å; D423-R530 PolarHBondContact OD2-NE 3.14Å; D423-R530 IonicContact OD2-NH2 2.73Å; D423-R530 PolarHBondContact OD2-NH2 3.2Å
424E91.5Very high91Very high22 Ų2233.5 Ų33.510%0.10318%0.179CC..EExtended strand (participates in β ladder)trans-123.7121.5-166.7-160.5174123.100111.4L420 D421 V522 R530 P570L420-E424 WeakPolarHBondContact CA-O 3.38Å; L420-E424 WeakPolarHBondContact CB-O 3.31Å; L420-E424 HydrophobicContact CD1-CG 4.48Å; L420-E424 PolarHBondContact N-O 2.94Å; D421-E424 HydrophobicContact CB-CB 4.32Å; D421-E424 PolarHBondContact N-O 3.17Å; D421-E424 VanDerWaalsContact N-O 3.08Å; D421-E424 PolarHBondContact O-N 3.37Å; D421-E424 VanDerWaalsContact O-O 3.06Å; E424-V522 HydrophobicContact CG-CG1 3.76Å; E424-R530 IonicContact OE2-CZ 3.84Å; E424-R530 VanDerWaalsContact OE2-CZ 3.28Å; E424-R530 IonicContact OE2-NH1 2.79Å; E424-R530 PolarHBondContact OE2-NH1 3.04Å; E424-R530 IonicContact OE2-NH2 2.79Å; E424-R530 PolarHBondContact OE2-NH2 2.85Å; E424-P570 HydrophobicContact CG-CB 4.41Å; E424-P570 HydrophobicContact CG-CG 4.06Å
425I92.5Very high90.9Very high0 Ų035.2 Ų35.20%019%0.188CC..EExtended strand (participates in β ladder)trans-138.6144.6-166.7-60.4171.8000109.6V416 K418 F419 F427 V522 G523 M525V416-I425 HydrophobicContact CG1-CG2 3.8Å; K418-I425 CarbonylContact O-C 3.52Å; K418-I425 WeakPolarHBondContact O-CA 3.45Å; F419-I425 HydrophobicContact CD1-CD1 3.86Å; F419-I425 HydrophobicContact CD1-CG1 3.69Å; F419-I425 HydrophobicContact CD2-CD1 4.22Å; F419-I425 HydrophobicContact CD2-CG1 4.16Å; F419-I425 HydrophobicContact CD2-CG2 4.5Å; F419-I425 HydrophobicContact CE1-CD1 3.46Å; F419-I425 VanDerWaalsContact CE1-CD1 3.46Å; F419-I425 HydrophobicContact CE1-CG1 3.86Å; F419-I425 HydrophobicContact CE2-CD1 3.83Å; F419-I425 HydrophobicContact CE2-CG1 4.29Å; F419-I425 HydrophobicContact CG-CD1 4.23Å; F419-I425 HydrophobicContact CG-CG1 3.86Å; F419-I425 HydrophobicContact CZ-CD1 3.43Å; F419-I425 VanDerWaalsContact CZ-CD1 3.43Å; F419-I425 HydrophobicContact CZ-CG1 4.15Å; I425-F427 HydrophobicContact CB-CD2 4.41Å; I425-F427 HydrophobicContact CB-CE1 4.22Å; I425-F427 HydrophobicContact CB-CE2 3.59Å; I425-F427 HydrophobicContact CB-CZ 3.49Å; I425-F427 VanDerWaalsContact CB-CZ 3.49Å; I425-F427 HydrophobicContact CD1-CZ 3.99Å; I425-F427 HydrophobicContact CG1-CZ 4.32Å; I425-F427 HydrophobicContact CG2-CD1 4.08Å; I425-F427 HydrophobicContact CG2-CD2 4.22Å; I425-F427 HydrophobicContact CG2-CE1 3.62Å; I425-F427 HydrophobicContact CG2-CE2 3.73Å; I425-F427 HydrophobicContact CG2-CG 4.39Å; I425-F427 HydrophobicContact CG2-CZ 3.42Å; I425-F427 VanDerWaalsContact CG2-CZ 3.42Å; I425-F427 WeakPolarHBondContact O-CD2 3.41Å; I425-F427 WeakPolarHBondContact O-CE2 3.23Å; I425-V522 CarbonylContact O-C 3.45Å; I425-V522 WeakPolarHBondContact O-CA 3.35Å; I425-G523 PolarHBondContact N-O 3.32Å; I425-G523 PolarHBondContact O-N 3.07Å; I425-M525 HydrophobicContact CD1-CE 3.45Å; I425-M525 VanDerWaalsContact CD1-CE 3.45Å; I425-M525 HydrophobicContact CD1-CG 4.46Å; I425-M525 HydrophobicContact CD1-SD 3.84Å; I425-M525 HydrophobicContact CG1-CE 4.28Å
426T93.1Very high90.8Very high8 Ų834.7 Ų34.75%0.04919%0.193CC..EExtended strand (participates in β ladder)trans-92136.3165.667.40000111.4V417 K418 L420 F491 G496 F521 V522V417-T426 WeakPolarHBondContact CB-O 3.46Å; V417-T426 WeakPolarHBondContact CB-OG1 3.48Å; V417-T426 WeakPolarHBondContact CG1-OG1 3.23Å; V417-T426 PolarHBondContact N-O 3.36Å; K418-T426 PolarHBondContact N-O 2.6Å; K418-T426 PolarHBondContact N-OG1 3.24Å; K418-T426 PolarHBondContact O-N 3.07Å; K418-T426 PolarHBondContact O-OG1 3.3Å; L420-T426 HydrophobicContact CD1-CG2 3.89Å; L420-T426 HydrophobicContact CD2-CG2 4.18Å; L420-T426 HydrophobicContact CG-CG2 4.15Å; T426-F491 HydrophobicContact CG2-CE2 4.03Å; T426-G496 VanDerWaalsContact CB-O 3.24Å; T426-G496 WeakPolarHBondContact CB-O 3.25Å; T426-G496 PolarHBondContact OG1-O 3.38Å; T426-F521 WeakPolarHBondContact CA-O 3.49Å; T426-V522 HydrophobicContact CG2-CG2 4.35Å
427F93.2Very high90.8Very high0 Ų038 Ų380%021%0.207CC..EExtended strand (participates in β ladder)trans-126.5160.6-177.6-56.7-85.2000110.6I414 E415 V416 I425 A520 F521 L573 L575I414-F427 HydrophobicContact CB-CB 4.49Å; I414-F427 HydrophobicContact CB-CD1 4.34Å; I414-F427 HydrophobicContact CD1-CD1 3.32Å; I414-F427 HydrophobicContact CD1-CE1 3.45Å; I414-F427 VanDerWaalsContact CD1-CE1 3.45Å; I414-F427 HydrophobicContact CD1-CG 4.19Å; I414-F427 HydrophobicContact CD1-CZ 4.43Å; I414-F427 HydrophobicContact CG1-CD1 4.41Å; I414-F427 HydrophobicContact CG2-CB 4.32Å; E415-F427 WeakPolarHBondContact O-CA 3.3Å; V416-F427 HydrophobicContact CG2-CD1 3.99Å; V416-F427 HydrophobicContact CG2-CE1 3.82Å; I425-F427 HydrophobicContact CB-CD2 4.41Å; I425-F427 HydrophobicContact CB-CE1 4.22Å; I425-F427 HydrophobicContact CB-CE2 3.59Å; I425-F427 HydrophobicContact CB-CZ 3.49Å; I425-F427 VanDerWaalsContact CB-CZ 3.49Å; I425-F427 HydrophobicContact CD1-CZ 3.99Å; I425-F427 HydrophobicContact CG1-CZ 4.32Å; I425-F427 HydrophobicContact CG2-CD1 4.08Å; I425-F427 HydrophobicContact CG2-CD2 4.22Å; I425-F427 HydrophobicContact CG2-CE1 3.62Å; I425-F427 HydrophobicContact CG2-CE2 3.73Å; I425-F427 HydrophobicContact CG2-CG 4.39Å; I425-F427 HydrophobicContact CG2-CZ 3.42Å; I425-F427 VanDerWaalsContact CG2-CZ 3.42Å; I425-F427 WeakPolarHBondContact O-CD2 3.41Å; I425-F427 WeakPolarHBondContact O-CE2 3.23Å; F427-A520 VanDerWaalsContact O-CA 3.23Å; F427-A520 WeakPolarHBondContact O-CA 3.3Å; F427-F521 HydrophobicContact CB-CD1 4.38Å; F427-F521 HydrophobicContact CB-CE1 4.06Å; F427-F521 HydrophobicContact CB-CE2 4.33Å; F427-F521 HydrophobicContact CB-CZ 4.04Å; F427-F521 HydrophobicContact CD2-CD2 4.36Å; F427-F521 HydrophobicContact CD2-CE2 4.13Å; F427-F521 HydrophobicContact CG-CE2 4.49Å; F427-F521 PolarHBondContact N-O 3.34Å; F427-F521 PolarHBondContact O-N 2.7Å; F427-L573 HydrophobicContact CD2-CD1 4.1Å; F427-L573 HydrophobicContact CE2-CD1 3.61Å; F427-L573 HydrophobicContact CZ-CD1 4.06Å; F427-L575 HydrophobicContact CE1-CD1 3.96Å; F427-L575 HydrophobicContact CE1-CD2 4.41Å; F427-L575 HydrophobicContact CZ-CD1 3.84Å; F427-L575 HydrophobicContact CZ-CD2 4.27Å
428V93.1Very high90.8Very high11 Ų1138.5 Ų38.57%0.06721%0.208CC..EExtended strand (participates in β ladder)trans-124.4144.4157.8-72.40000110.1I414 E415 V417 M519 A520I414-V428 CarbonylContact C-O 3.59Å; I414-V428 VanDerWaalsContact CA-O 3.31Å; I414-V428 WeakPolarHBondContact CA-O 3.37Å; E415-V428 HydrophobicContact CB-CG2 3.85Å; E415-V428 PolarHBondContact N-O 2.69Å; E415-V428 PolarHBondContact O-N 3.25Å; V417-V428 HydrophobicContact CG2-CB 4.4Å; V417-V428 HydrophobicContact CG2-CG1 3.91Å; V417-V428 HydrophobicContact CG2-CG2 3.99Å; V428-M519 CarbonylContact C-O 3.59Å; V428-M519 WeakPolarHBondContact CA-O 3.23Å; V428-M519 HydrophobicContact CB-CB 4.45Å; V428-M519 HydrophobicContact CG1-CB 4.44Å; V428-A520 HydrophobicContact CG1-CB 3.71Å
429R92.7Very high90.9Very high31 Ų3137 Ų3712%0.11720%0.202CC..EExtended strand (participates in β ladder)trans-62.9132.3170.2-65179.292-151.421.6109.9I413 D431 S434 Q517 M519 F521I413-R429 CarbonylContact O-C 3.6Å; I413-R429 WeakPolarHBondContact O-CA 3.25Å; R429-D431 IonicContact CZ-OD2 2.93Å; R429-D431 IonicContact NE-OD2 2.66Å; R429-S434 WeakPolarHBondContact CB-OG 3.48Å; R429-S434 PolarHBondContact NH1-OG 3.06Å; R429-Q517 VanDerWaalsContact NH1-CD 3.26Å; R429-M519 PolarHBondContact N-O 2.7Å; R429-M519 VanDerWaalsContact O-CE 3.22Å; R429-M519 WeakPolarHBondContact O-CE 3.41Å; R429-F521 HydrophobicContact CG-CE1 3.99Å
430A91.9Very high90.9Very high35 Ų3540 Ų4029%0.28922%0.221SC..  trans-122.411.4-173.700000113I413 E415I413-A430 HydrophobicContact CG2-CB 4.25Å; I413-A430 PolarHBondContact O-N 3.41Å; E415-A430 HydrophobicContact CB-CB 4.37Å
431D89.7Confident91.2Very high26 Ų2636.9 Ų36.914%0.13921%0.205CC..SBendtrans-69.1154.7165.959.585.8000111.9I413 R429 E433 S434 I435I413-D431 HydrophobicContact CB-CB 4.42Å; R429-D431 IonicContact CZ-OD2 2.93Å; R429-D431 IonicContact NE-OD2 2.66Å; D431-E433 VanDerWaalsContact C-N 3.27Å; D431-E433 PolarHBondContact O-N 2.83Å; D431-E433 PolarHBondContact OD1-N 2.85Å; D431-S434 PolarHBondContact O-N 3.33Å; D431-S434 VanDerWaalsContact OD1-CB 3.23Å; D431-S434 WeakPolarHBondContact OD1-CB 3.45Å; D431-S434 PolarHBondContact OD1-N 3.31Å; D431-S434 PolarHBondContact OD1-OG 3.48Å; D431-S434 PolarHBondContact OD2-OG 3.1Å; D431-I435 VanDerWaalsContact O-CG1 3.32Å; D431-I435 WeakPolarHBondContact O-CG1 3.24Å; D431-I435 PolarHBondContact O-N 2.82Å; D431-I435 VanDerWaalsContact O-N 3.15Å
432S89.2Confident91.3Very high105 Ų10535.7 Ų35.773%0.73420%0.198SC*.Hα-helixtrans-66.6-26.4-174.947.60000113.8S436S432-S436 VanDerWaalsContact O-CB 3.26Å; S432-S436 WeakPolarHBondContact O-CB 3.4Å; S432-S436 PolarHBondContact O-N 3.05Å
433E90.3Very high91.5Very high123 Ų12339 Ų3958%0.57522%0.216SC*.Hα-helixtrans-71.7-51.5178.6-175.6177.916300110.8D431 I435 S436 H437D431-E433 VanDerWaalsContact C-N 3.27Å; D431-E433 PolarHBondContact O-N 2.83Å; D431-E433 PolarHBondContact OD1-N 2.85Å; E433-I435 VanDerWaalsContact C-N 3.32Å; E433-I435 PolarHBondContact O-N 2.87Å; E433-S436 WeakPolarHBondContact O-CB 3.41Å; E433-S436 PolarHBondContact O-N 3.38Å; E433-S436 VanDerWaalsContact O-N 3.08Å; E433-H437 WeakPolarHBondContact CG-CE1 3.4Å; E433-H437 PolarHBondContact O-N 3.14Å; E433-H437 IonicContact OE1-CE1 3.97Å; E433-H437 PolarHBondContact OE1-CE1 2.94Å
434S89.8Confident91.5Very high8 Ų843.2 Ų43.26%0.05624%0.235CC..Hα-helixtrans-56.1-45.2174.3-60.90000112R429 D431 S436 H437 F438R429-S434 WeakPolarHBondContact CB-OG 3.48Å; R429-S434 PolarHBondContact NH1-OG 3.06Å; D431-S434 PolarHBondContact O-N 3.33Å; D431-S434 VanDerWaalsContact OD1-CB 3.23Å; D431-S434 WeakPolarHBondContact OD1-CB 3.45Å; D431-S434 PolarHBondContact OD1-N 3.31Å; D431-S434 PolarHBondContact OD1-OG 3.48Å; D431-S434 PolarHBondContact OD2-OG 3.1Å; S434-S436 VanDerWaalsContact C-N 3.31Å; S434-S436 PolarHBondContact O-N 3.48Å; S434-H437 PolarHBondContact O-N 3.08Å; S434-F438 WeakPolarHBondContact O-CB 3.16Å; S434-F438 PolarHBondContact O-N 2.79Å
435I90Very high91.6Very high46 Ų4642.3 Ų42.324%0.23623%0.231CC..Hα-helixtrans-64.3-37.4177.8-67.4167.5000111D431 E433 K439 M519D431-I435 VanDerWaalsContact O-CG1 3.32Å; D431-I435 WeakPolarHBondContact O-CG1 3.24Å; D431-I435 PolarHBondContact O-N 2.82Å; D431-I435 VanDerWaalsContact O-N 3.15Å; E433-I435 VanDerWaalsContact C-N 3.32Å; E433-I435 PolarHBondContact O-N 2.87Å; I435-K439 HydrophobicContact CG2-CD 4.1Å; I435-K439 WeakPolarHBondContact O-CB 3.25Å; I435-K439 VanDerWaalsContact O-CG 3.26Å; I435-K439 WeakPolarHBondContact O-CG 3.14Å; I435-K439 PolarHBondContact O-N 3.2Å; I435-M519 HydrophobicContact CG1-CE 3.98Å
436S90Very high91.6Very high65 Ų6548.5 Ų48.546%0.45525%0.254SS..Hα-helixtrans-68.3-49.2176.4-170.70000111.7S432 E433 S434 F438 K439 T440S432-S436 VanDerWaalsContact O-CB 3.26Å; S432-S436 WeakPolarHBondContact O-CB 3.4Å; S432-S436 PolarHBondContact O-N 3.05Å; E433-S436 WeakPolarHBondContact O-CB 3.41Å; E433-S436 PolarHBondContact O-N 3.38Å; E433-S436 VanDerWaalsContact O-N 3.08Å; S434-S436 VanDerWaalsContact C-N 3.31Å; S434-S436 PolarHBondContact O-N 3.48Å; S436-F438 VanDerWaalsContact C-N 3.33Å; S436-F438 PolarHBondContact O-N 3.05Å; S436-K439 PolarHBondContact O-N 2.88Å; S436-K439 VanDerWaalsContact O-N 3.16Å; S436-T440 PolarHBondContact O-N 3.01Å; S436-T440 PolarHBondContact O-OG1 3.19Å
437H90.5Very high91.4Very high88 Ų8855.4 Ų55.441%0.40728%0.284SS..Hα-helixtrans-60.2-40.7177.7-68.5152000112.2E433 S434 T440 L441E433-H437 WeakPolarHBondContact CG-CE1 3.4Å; E433-H437 PolarHBondContact O-N 3.14Å; E433-H437 IonicContact OE1-CE1 3.97Å; E433-H437 PolarHBondContact OE1-CE1 2.94Å; S434-H437 PolarHBondContact O-N 3.08Å; H437-T440 PolarHBondContact O-N 2.72Å; H437-L441 VanDerWaalsContact O-CB 3.31Å; H437-L441 WeakPolarHBondContact O-CB 3.47Å; H437-L441 PolarHBondContact O-N 3.45Å
438F91.6Very high91.3Very high17 Ų1756.9 Ų56.98%0.07530%0.296CS..Hα-helixtrans-65.2-42.6173.2174.5-114.5000113S434 S436 T440 L441 F442 D494 M519S434-F438 WeakPolarHBondContact O-CB 3.16Å; S434-F438 PolarHBondContact O-N 2.79Å; S436-F438 VanDerWaalsContact C-N 3.33Å; S436-F438 PolarHBondContact O-N 3.05Å; F438-T440 VanDerWaalsContact C-N 3.27Å; F438-T440 PolarHBondContact O-N 2.85Å; F438-L441 PolarHBondContact O-N 3.35Å; F438-F442 HydrophobicContact CE2-CB 4.26Å; F438-F442 HydrophobicContact CE2-CD2 4.33Å; F438-F442 HydrophobicContact CZ-CB 4.35Å; F438-F442 HydrophobicContact CZ-CD2 4.01Å; F438-F442 HydrophobicContact CZ-CG 4.45Å; F438-F442 WeakPolarHBondContact O-CB 3.43Å; F438-F442 PolarHBondContact O-N 3.49Å; F438-D494 HydrophobicContact CD2-CB 3.69Å; F438-D494 HydrophobicContact CE2-CB 3.5Å; F438-D494 VanDerWaalsContact CE2-CB 3.5Å; F438-D494 HydrophobicContact CZ-CB 4.39Å; F438-M519 HydrophobicContact CB-CE 4.18Å; F438-M519 HydrophobicContact CB-CG 3.91Å; F438-M519 HydrophobicContact CB-SD 3.28Å; F438-M519 WeakPolarHBondContact CB-SD 3.48Å; F438-M519 HydrophobicContact CD1-SD 3.55Å; F438-M519 VanDerWaalsContact CD1-SD 3.55Å; F438-M519 HydrophobicContact CD2-CG 4.43Å; F438-M519 HydrophobicContact CD2-SD 3.86Å; F438-M519 HydrophobicContact CE1-SD 4.33Å; F438-M519 HydrophobicContact CG-CG 4.21Å; F438-M519 HydrophobicContact CG-SD 3.27Å; F438-M519 WeakPolarHBondContact CG-SD 3.32Å
439K90.4Very high91.3Very high72 Ų7256.7 Ų56.731%0.31329%0.294SS..Hα-helixtrans-60.6-35.7175.9-78.3173.8178.1-177.80112I435 S436 N443I435-K439 HydrophobicContact CG2-CD 4.1Å; I435-K439 WeakPolarHBondContact O-CB 3.25Å; I435-K439 VanDerWaalsContact O-CG 3.26Å; I435-K439 WeakPolarHBondContact O-CG 3.14Å; I435-K439 PolarHBondContact O-N 3.2Å; S436-K439 PolarHBondContact O-N 2.88Å; S436-K439 VanDerWaalsContact O-N 3.16Å; K439-N443 PolarHBondContact O-ND2 3.45Å
440T92.8Very high90.9Very high71 Ų7158 Ų5844%0.43632%0.317SS..Hα-helixtrans-67.9-57.2171.8-60.20000111.2S436 H437 F438 F442 N443 E444S436-T440 PolarHBondContact O-N 3.01Å; S436-T440 PolarHBondContact O-OG1 3.19Å; H437-T440 PolarHBondContact O-N 2.72Å; F438-T440 VanDerWaalsContact C-N 3.27Å; F438-T440 PolarHBondContact O-N 2.85Å; T440-F442 VanDerWaalsContact C-N 3.33Å; T440-F442 PolarHBondContact O-N 3.21Å; T440-N443 PolarHBondContact O-N 3.19Å; T440-N443 VanDerWaalsContact O-N 3.09Å; T440-E444 HydrophobicContact CG2-CG 4.37Å; T440-E444 WeakPolarHBondContact CG2-OE1 3.48Å; T440-E444 PolarHBondContact O-N 3.4Å
441L93.7Very high90.1Very high3 Ų358.3 Ų58.32%0.01632%0.324CS..Hα-helixtrans-51.5-47179.8170.368.1000112.9H437 F438 N443 E444 M445 R476 F513 V516H437-L441 VanDerWaalsContact O-CB 3.31Å; H437-L441 WeakPolarHBondContact O-CB 3.47Å; H437-L441 PolarHBondContact O-N 3.45Å; F438-L441 PolarHBondContact O-N 3.35Å; L441-N443 VanDerWaalsContact C-N 3.31Å; L441-N443 PolarHBondContact O-N 3.27Å; L441-E444 PolarHBondContact O-N 3.35Å; L441-M445 HydrophobicContact CD1-CG 3.93Å; L441-M445 HydrophobicContact CD1-SD 3.94Å; L441-M445 HydrophobicContact CG-CG 4.42Å; L441-M445 HydrophobicContact CG-SD 4.16Å; L441-M445 WeakPolarHBondContact O-CB 3.45Å; L441-M445 WeakPolarHBondContact O-CG 3.1Å; L441-M445 PolarHBondContact O-N 2.59Å; L441-R476 VanDerWaalsContact CD2-CZ 3.45Å; L441-F513 HydrophobicContact CD1-CB 3.98Å; L441-F513 HydrophobicContact CD1-CD1 3.54Å; L441-F513 HydrophobicContact CD1-CE1 4.33Å; L441-F513 HydrophobicContact CD1-CG 4.02Å; L441-V516 HydrophobicContact CD1-CG2 4.27Å; L441-V516 HydrophobicContact CD2-CB 4.47Å; L441-V516 HydrophobicContact CD2-CG1 4.25Å
442F91.4Very high89Confident14 Ų1465.1 Ų65.16%0.06136%0.36CS..Hα-helixtrans-61.3-39-179.2179.6-96.3000112.3V358 F438 T440 R446 H473 L475V358-F442 HydrophobicContact CG1-CE1 4.3Å; V358-F442 HydrophobicContact CG1-CE2 3.79Å; V358-F442 HydrophobicContact CG1-CZ 3.57Å; F438-F442 HydrophobicContact CE2-CB 4.26Å; F438-F442 HydrophobicContact CE2-CD2 4.33Å; F438-F442 HydrophobicContact CZ-CB 4.35Å; F438-F442 HydrophobicContact CZ-CD2 4.01Å; F438-F442 HydrophobicContact CZ-CG 4.45Å; F438-F442 WeakPolarHBondContact O-CB 3.43Å; F438-F442 PolarHBondContact O-N 3.49Å; T440-F442 VanDerWaalsContact C-N 3.33Å; T440-F442 PolarHBondContact O-N 3.21Å; F442-R446 WeakPolarHBondContact O-CB 3.45Å; F442-R446 PolarHBondContact O-N 2.86Å; F442-R446 VanDerWaalsContact O-N 3.12Å; F442-H473 AromaticContact CE1-ND1 3.94Å; F442-H473 HydrophobicContact CE2-CB 4.02Å; F442-H473 HydrophobicContact CZ-CB 3.99Å; F442-H473 AromaticContact CZ-CE1 3.98Å; F442-H473 AromaticContact CZ-CG 3.69Å; F442-H473 AromaticContact CZ-ND1 3.33Å; F442-H473 VanDerWaalsContact CZ-ND1 3.33Å; F442-H473 WeakPolarHBondContact CZ-ND1 3.37Å; F442-L475 HydrophobicContact CD2-CD2 3.96Å; F442-L475 HydrophobicContact CE2-CD2 3.9Å
443N91.1Very high88.1Confident71 Ų7169.3 Ų69.338%0.3837%0.368SS..Hα-helixtrans-71.9-42.8174.9-76.3-56.9000111.5K439 T440 L441 R446 F447K439-N443 PolarHBondContact O-ND2 3.45Å; T440-N443 PolarHBondContact O-N 3.19Å; T440-N443 VanDerWaalsContact O-N 3.09Å; L441-N443 VanDerWaalsContact C-N 3.31Å; L441-N443 PolarHBondContact O-N 3.27Å; N443-R446 WeakPolarHBondContact O-CB 3.32Å; N443-R446 PolarHBondContact O-N 3.18Å; N443-F447 WeakPolarHBondContact O-CD2 3.35Å; N443-F447 PolarHBondContact O-N 3.3Å; N443-F447 VanDerWaalsContact O-N 3.1Å
444E93.5Very high87.5Confident92 Ų9265.1 Ų65.143%0.4335%0.353SS..Hα-helixtrans-63.1-42.2176.8-68.4-176.8-174.100112.6T440 L441 R446 F447 A448 F513T440-E444 HydrophobicContact CG2-CG 4.37Å; T440-E444 WeakPolarHBondContact CG2-OE1 3.48Å; T440-E444 PolarHBondContact O-N 3.4Å; L441-E444 PolarHBondContact O-N 3.35Å; E444-R446 VanDerWaalsContact C-N 3.33Å; E444-R446 PolarHBondContact O-N 3.13Å; E444-F447 PolarHBondContact O-N 3.36Å; E444-A448 VanDerWaalsContact O-CB 3.23Å; E444-A448 WeakPolarHBondContact O-CB 3.39Å; E444-A448 PolarHBondContact O-N 2.88Å; E444-F513 HydrophobicContact CB-CE1 3.65Å; E444-F513 HydrophobicContact CB-CZ 4.01Å
445M93.8Very high87.4Confident2 Ų272.4 Ų72.41%0.0138%0.383CS..Hα-helixtrans-61.3-41.3173.5-73.7-172.675.300111.3L441 F447 A448 Y449 A467 W474 R476 L509 F513L441-M445 HydrophobicContact CD1-CG 3.93Å; L441-M445 HydrophobicContact CD1-SD 3.94Å; L441-M445 HydrophobicContact CG-CG 4.42Å; L441-M445 HydrophobicContact CG-SD 4.16Å; L441-M445 WeakPolarHBondContact O-CB 3.45Å; L441-M445 WeakPolarHBondContact O-CG 3.1Å; L441-M445 PolarHBondContact O-N 2.59Å; M445-F447 VanDerWaalsContact C-N 3.31Å; M445-F447 PolarHBondContact O-N 2.9Å; M445-A448 PolarHBondContact O-N 3.02Å; M445-Y449 HydrophobicContact CB-CD2 4.33Å; M445-Y449 HydrophobicContact CE-CD2 4.35Å; M445-Y449 HydrophobicContact CE-CE2 3.86Å; M445-Y449 HydrophobicContact CG-CE2 4.45Å; M445-Y449 WeakPolarHBondContact O-CD2 2.98Å; M445-Y449 PolarHBondContact O-N 2.93Å; M445-A467 HydrophobicContact CE-CB 3.95Å; M445-W474 HydrophobicContact CB-CB 4.05Å; M445-W474 HydrophobicContact CE-CB 4.39Å; M445-R476 HydrophobicContact CE-CG 3.85Å; M445-R476 HydrophobicContact SD-CG 3.56Å; M445-R476 VanDerWaalsContact SD-CG 3.56Å; M445-L509 HydrophobicContact CE-CD1 4.05Å; M445-F513 HydrophobicContact CB-CE2 4.39Å; M445-F513 HydrophobicContact CB-CZ 4.49Å; M445-F513 HydrophobicContact CG-CB 4.45Å; M445-F513 HydrophobicContact CG-CD1 4.02Å; M445-F513 HydrophobicContact CG-CD2 3.68Å; M445-F513 HydrophobicContact CG-CE1 4.1Å; M445-F513 HydrophobicContact CG-CE2 3.74Å; M445-F513 HydrophobicContact CG-CG 3.8Å; M445-F513 HydrophobicContact CG-CZ 3.95Å; M445-F513 HydrophobicContact SD-CG 4.5Å
446R91Very high87.4Confident130 Ų13072.7 Ų72.749%0.49139%0.388SS..Hα-helixtrans-59.1-39.2175.9-179.9-174.6174.7-167-2.4112.7F442 N443 E444 G450F442-R446 WeakPolarHBondContact O-CB 3.45Å; F442-R446 PolarHBondContact O-N 2.86Å; F442-R446 VanDerWaalsContact O-N 3.12Å; N443-R446 WeakPolarHBondContact O-CB 3.32Å; N443-R446 PolarHBondContact O-N 3.18Å; E444-R446 VanDerWaalsContact C-N 3.33Å; E444-R446 PolarHBondContact O-N 3.13Å; R446-G450 WeakPolarHBondContact O-CA 3.15Å; R446-G450 PolarHBondContact O-N 3.1Å
447F90.3Very high87.2Confident154 Ų15471.3 Ų71.368%0.67538%0.376SS*.Hα-helixtrans-76.1-43.8175.5-68.3-64.7000112.1N443 E444 M445 Y449 G450N443-F447 WeakPolarHBondContact O-CD2 3.35Å; N443-F447 PolarHBondContact O-N 3.3Å; N443-F447 VanDerWaalsContact O-N 3.1Å; E444-F447 PolarHBondContact O-N 3.36Å; M445-F447 VanDerWaalsContact C-N 3.31Å; M445-F447 PolarHBondContact O-N 2.9Å; F447-Y449 PolarHBondContact O-N 3.01Å; F447-G450 PolarHBondContact O-N 2.79Å
448A91.8Very high86.8Confident31 Ų3176.3 Ų76.326%0.25640%0.399SS..Hα-helixtrans-66.7-38-17500000114.5E444 M445 L510 F513E444-A448 VanDerWaalsContact O-CB 3.23Å; E444-A448 WeakPolarHBondContact O-CB 3.39Å; E444-A448 PolarHBondContact O-N 2.88Å; M445-A448 PolarHBondContact O-N 3.02Å; A448-L510 HydrophobicContact CB-CD1 4.21Å; A448-F513 HydrophobicContact CB-CE2 3.53Å; A448-F513 HydrophobicContact CB-CZ 3.57Å
449Y92.3Very high86.5Confident6 Ų679.6 Ų79.62%0.02442%0.424CS..THydrogen-bonded Turntrans-101.410.9175.7-61.8-83.9000112.3M445 F447 G451 S454 A467 W474 P508 L509 L510 F513M445-Y449 HydrophobicContact CB-CD2 4.33Å; M445-Y449 HydrophobicContact CE-CD2 4.35Å; M445-Y449 HydrophobicContact CE-CE2 3.86Å; M445-Y449 HydrophobicContact CG-CE2 4.45Å; M445-Y449 WeakPolarHBondContact O-CD2 2.98Å; M445-Y449 PolarHBondContact O-N 2.93Å; F447-Y449 PolarHBondContact O-N 3.01Å; Y449-G451 VanDerWaalsContact C-N 3.31Å; Y449-G451 PolarHBondContact O-N 3.05Å; Y449-S454 WeakPolarHBondContact CD1-OG 3.48Å; Y449-A467 HydrophobicContact CD2-CB 4.48Å; Y449-A467 HydrophobicContact CE1-CB 3.84Å; Y449-A467 HydrophobicContact CE2-CB 3.76Å; Y449-A467 WeakPolarHBondContact OH-CB 3.48Å; Y449-W474 HydrophobicContact CD1-CE3 4.26Å; Y449-W474 HydrophobicContact CD1-CH2 4.38Å; Y449-W474 HydrophobicContact CD1-CZ3 4.08Å; Y449-W474 HydrophobicContact CD2-CB 4.39Å; Y449-W474 HydrophobicContact CD2-CD2 4.37Å; Y449-W474 HydrophobicContact CD2-CE3 4.32Å; Y449-W474 HydrophobicContact CD2-CG 4.4Å; Y449-W474 AromaticContact CG-CD2 3.96Å; Y449-W474 HydrophobicContact CG-CD2 3.96Å; Y449-W474 AromaticContact CG-CE3 3.89Å; Y449-W474 HydrophobicContact CG-CE3 3.89Å; Y449-W474 HydrophobicContact CG-CG 4.36Å; Y449-W474 HydrophobicContact CG-CH2 4.47Å; Y449-W474 HydrophobicContact CG-CZ3 4.14Å; Y449-W474 VanDerWaalsContact O-CE2 3.27Å; Y449-W474 WeakPolarHBondContact O-CZ2 3.43Å; Y449-W474 PolarHBondContact O-NE1 3.06Å; Y449-W474 VanDerWaalsContact O-NE1 3.11Å; Y449-P508 PolarHBondContact OH-O 3.26Å; Y449-L509 WeakPolarHBondContact OH-CA 3.49Å; Y449-L510 HydrophobicContact CE1-CG 4.4Å; Y449-L510 PolarHBondContact OH-N 2.66Å; Y449-F513 HydrophobicContact CD2-CE2 4.24Å; Y449-F513 AromaticContact CE2-CD2 3.72Å; Y449-F513 HydrophobicContact CE2-CD2 3.72Å; Y449-F513 AromaticContact CE2-CE2 3.7Å; Y449-F513 HydrophobicContact CE2-CE2 3.7Å
450G83.2Confident86.3Confident59 Ų5977.2 Ų77.261%0.60842%0.415SS*.SBendtrans-75.9-15-179.400000114.5R446 F447R446-G450 WeakPolarHBondContact O-CA 3.15Å; R446-G450 PolarHBondContact O-N 3.1Å; F447-G450 PolarHBondContact O-N 2.79Å
451G75.5Confident86.2Confident42 Ų4278.5 Ų78.543%0.43342%0.419SS..SBendtrans-106.7160.4177.300000113.5Y449 E453Y449-G451 VanDerWaalsContact C-N 3.31Å; Y449-G451 PolarHBondContact O-N 3.05Å; G451-E453 PolarHBondContact O-N 3.32Å; G451-E453 VanDerWaalsContact O-N 3.12Å
452D66.2Low86Confident168 Ų16881.4 Ų81.490%0.89844%0.437SS*.THydrogen-bonded Turntrans-72.61-172.4-69.4-44.4000115.6S454D452-S454 VanDerWaalsContact C-N 3.27Å; D452-S454 PolarHBondContact O-N 2.85Å
453E70.5Confident85.8Confident193 Ų19382.3 Ų82.390%0.90245%0.45SS*.THydrogen-bonded Turntrans-68.4-25.3-179.1-60.6-171.9159.200113.4G451G451-E453 PolarHBondContact O-N 3.32Å; G451-E453 VanDerWaalsContact O-N 3.12Å
454S78Confident85.8Confident36 Ų3681.3 Ų81.325%0.25244%0.443SS..  trans-79126.7-178.8-68.90000111.8Y449 D452 Y507Y449-S454 WeakPolarHBondContact CD1-OG 3.48Å; D452-S454 VanDerWaalsContact C-N 3.27Å; D452-S454 PolarHBondContact O-N 2.85Å; S454-Y507 WeakPolarHBondContact O-CE1 3.45Å
455K87.4Confident85.8Confident160 Ų16079.8 Ų79.870%0.69643%0.434SS*.  trans-104149172-67.4-177.4179.4179.90111.7Y507 P508K455-Y507 WeakPolarHBondContact O-CD1 3.4Å; K455-P508 WeakPolarHBondContact O-CD 3.2Å
456P89.8Confident85.9Confident52 Ų5279.7 Ų79.734%0.33843%0.433SS..  trans-58.7160.9170.9-23.334.3000112.9E458 I506 Y507P456-E458 PolarHBondContact O-N 3.44Å; P456-I506 CarbonylContact C-O 3.46Å; P456-I506 WeakPolarHBondContact CA-O 3.45Å; P456-I506 WeakPolarHBondContact CB-O 3.39Å; P456-Y507 HydrophobicContact CG-CE1 3.94Å; P456-Y507 HydrophobicContact CG-CE2 4.42Å
457L86.9Confident86.2Confident37 Ų3773.5 Ų73.519%0.19441%0.41CS..  trans-69.8124176.7-89.7163.6000111.9S459 L460 V466 I506 P508L457-S459 VanDerWaalsContact C-N 3.33Å; L457-L460 HydrophobicContact CB-CD1 4.43Å; L457-L460 HydrophobicContact CD1-CD1 3.78Å; L457-V466 HydrophobicContact CD1-CB 4.48Å; L457-V466 HydrophobicContact CD1-CG1 3.59Å; L457-I506 HydrophobicContact CD1-CG2 4.23Å; L457-I506 PolarHBondContact N-O 3.2Å; L457-P508 HydrophobicContact CD2-CB 4.4Å; L457-P508 HydrophobicContact CD2-CG 3.87Å; L457-P508 HydrophobicContact CG-CG 3.93Å
458E81.6Confident86.4Confident193 Ų19366.1 Ų66.190%0.90238%0.378SS*.SBendtrans-72.6-25.4177.9-62-177.4174.700113.1P456P456-E458 PolarHBondContact O-N 3.44Å
459S84.7Confident86.6Confident86 Ų8668.6 Ų68.660%0.60138%0.383SS*.SBendtrans-143154.4172.5630000109.1L457L457-S459 VanDerWaalsContact C-N 3.33Å
460L88.2Confident86.4Confident21 Ų2168.6 Ų68.611%0.1138%0.383CS..  trans-141.6137.4-169.6-165.571.3000110L457 V466 V479 I482 A488 F503 I506L457-L460 HydrophobicContact CB-CD1 4.43Å; L457-L460 HydrophobicContact CD1-CD1 3.78Å; L460-V466 HydrophobicContact CD1-CG1 3.95Å; L460-V479 HydrophobicContact CD1-CG2 3.7Å; L460-V479 HydrophobicContact CD2-CG1 4.05Å; L460-V479 HydrophobicContact CD2-CG2 3.98Å; L460-V479 HydrophobicContact CG-CG1 4.19Å; L460-V479 HydrophobicContact CG-CG2 3.84Å; L460-I482 WeakPolarHBondContact O-CD1 3.49Å; L460-A488 HydrophobicContact CD2-CB 3.64Å; L460-F503 HydrophobicContact CD2-CD1 4.01Å; L460-F503 HydrophobicContact CD2-CE1 3.78Å; L460-I506 HydrophobicContact CD1-CG2 3.85Å; L460-I506 HydrophobicContact CD2-CD1 4.11Å
461N89.9Confident86.3Confident98 Ų9870.3 Ų70.352%0.52438%0.376SS..  trans-119.5150.3-177.3-54.8-88.7000111.1E464 V479N461-E464 HydrophobicContact CB-CB 4.26Å; N461-E464 WeakPolarHBondContact CB-OE2 3.33Å; N461-E464 PolarHBondContact N-OE2 2.98Å; N461-E464 PolarHBondContact ND2-OE2 3.3Å; N461-E464 WeakPolarHBondContact O-CB 3.3Å; N461-E464 PolarHBondContact O-N 2.9Å; N461-V479 VanDerWaalsContact O-CB 3.25Å; N461-V479 WeakPolarHBondContact O-CB 3.4Å; N461-V479 WeakPolarHBondContact O-CG1 3.37Å
462V89.1Confident86.6Confident64 Ų6478.6 Ų78.639%0.38839%0.394SS..THydrogen-bonded Turntrans-71.6135.6171.9176.20000109.3V218 E464 C480 I482V218-V462 HydrophobicContact CG1-CG1 4.42Å; V462-E464 VanDerWaalsContact C-N 3.32Å; V462-C480 WeakPolarHBondContact CG1-O 3.42Å; V462-I482 HydrophobicContact CG2-CD1 4.21Å; V462-I482 HydrophobicContact CG2-CG1 4.07Å
463G88Confident87.7Confident33 Ų3372.1 Ų72.134%0.3436%0.358SS..THydrogen-bonded Turntrans85.7-4.4-171.100000114.5V479G463-V479 PolarHBondContact N-O 3.3Å
464E90.6Very high88.8Confident51 Ų5163.7 Ų63.724%0.23832%0.318CS..  trans-71.2134-179.5-165.9169.3168.600111.8N461 V462 V466 I478 V479N461-E464 HydrophobicContact CB-CB 4.26Å; N461-E464 WeakPolarHBondContact CB-OE2 3.33Å; N461-E464 PolarHBondContact N-OE2 2.98Å; N461-E464 PolarHBondContact ND2-OE2 3.3Å; N461-E464 WeakPolarHBondContact O-CB 3.3Å; N461-E464 PolarHBondContact O-N 2.9Å; V462-E464 VanDerWaalsContact C-N 3.32Å; E464-V466 HydrophobicContact CG-CG1 4.16Å; E464-I478 WeakPolarHBondContact O-CA 3.37Å; E464-V479 HydrophobicContact CB-CG2 4.3Å; E464-V479 PolarHBondContact O-N 3.19Å
465Y94Very high89.6Confident59 Ų5962.1 Ų62.123%0.23131%0.307CS..EExtended strand (participates in β ladder)trans-86.8122.8174.7-77.8-108.1000109.5G477 I478 L509 V566Y465-G477 WeakPolarHBondContact CA-O 3.36Å; Y465-I478 HydrophobicContact CD1-CD1 4.41Å; Y465-I478 HydrophobicContact CD1-CG1 3.86Å; Y465-I478 HydrophobicContact CD2-CG1 4.26Å; Y465-I478 HydrophobicContact CE1-CD1 3.8Å; Y465-I478 HydrophobicContact CE1-CG1 3.75Å; Y465-I478 HydrophobicContact CE2-CD1 4.36Å; Y465-I478 HydrophobicContact CE2-CG1 4.16Å; Y465-I478 HydrophobicContact CG-CG1 4.12Å; Y465-L509 WeakPolarHBondContact O-CB 3.27Å; Y465-V566 PolarHBondContact OH-O 2.88Å
466V95.7Very high90Very high0 Ų054.8 Ų54.80%028%0.275CS..EExtended strand (participates in β ladder)trans-130.7156-170-64.40000112L457 L460 E464 V468 R476 G477 V479 V490 I506L457-V466 HydrophobicContact CD1-CB 4.48Å; L457-V466 HydrophobicContact CD1-CG1 3.59Å; L460-V466 HydrophobicContact CD1-CG1 3.95Å; E464-V466 HydrophobicContact CG-CG1 4.16Å; V466-V468 HydrophobicContact CG2-CG2 4.05Å; V466-R476 WeakPolarHBondContact O-CA 3.36Å; V466-G477 WeakPolarHBondContact CG2-O 3.48Å; V466-G477 PolarHBondContact N-O 2.96Å; V466-G477 PolarHBondContact O-N 2.76Å; V466-V479 HydrophobicContact CG1-CG2 3.98Å; V466-V479 HydrophobicContact CG2-CG2 4.13Å; V466-V490 HydrophobicContact CG2-CG1 4.3Å; V466-I506 HydrophobicContact CB-CG2 3.75Å; V466-I506 HydrophobicContact CG1-CG2 3.83Å; V466-I506 HydrophobicContact CG2-CG2 3.88Å
467A96.4Very high90.2Very high0 Ų052.3 Ų52.30%026%0.259CS..EExtended strand (participates in β ladder)trans-92.2138.716400000109.6M445 Y449 L475 Y507 L509M445-A467 HydrophobicContact CE-CB 3.95Å; Y449-A467 HydrophobicContact CD2-CB 4.48Å; Y449-A467 HydrophobicContact CE1-CB 3.84Å; Y449-A467 HydrophobicContact CE2-CB 3.76Å; Y449-A467 WeakPolarHBondContact OH-CB 3.48Å; A467-L475 CarbonylContact C-O 3.55Å; A467-L475 WeakPolarHBondContact CA-O 3.39Å; A467-Y507 PolarHBondContact N-O 3.33Å; A467-Y507 PolarHBondContact O-N 3.1Å; A467-L509 HydrophobicContact CB-CD1 4.13Å
468V95.6Very high90.5Very high0 Ų050.7 Ų50.70%025%0.25CS..EExtended strand (participates in β ladder)trans-124.5129.3-176.61800000110.6V466 C470 W474 L475 V490 Y492 V501 K505V466-V468 HydrophobicContact CG2-CG2 4.05Å; V468-C470 PolarHBondContact O-N 2.88Å; V468-W474 WeakPolarHBondContact O-CA 3.49Å; V468-L475 PolarHBondContact N-O 3.44Å; V468-L475 PolarHBondContact O-N 2.86Å; V468-V490 HydrophobicContact CG2-CG1 4.13Å; V468-Y492 HydrophobicContact CB-CE1 3.83Å; V468-Y492 HydrophobicContact CG1-CE1 3.71Å; V468-Y492 HydrophobicContact CG2-CE1 4.24Å; V468-V501 HydrophobicContact CG1-CG1 3.73Å; V468-V501 HydrophobicContact CG1-CG2 4.32Å; V468-K505 WeakPolarHBondContact CA-O 3.36Å
469K94.5Very high91.1Very high83 Ų8341.5 Ų41.536%0.36121%0.207SC..EExtended strand (participates in β ladder)trans-84.4106.6177.1-166.4172.9-171.6168.80110.4W474 K505 Y507K469-W474 HydrophobicContact CB-CD2 4.42Å; K469-W474 HydrophobicContact CB-CE3 4.03Å; K469-W474 HydrophobicContact CB-CH2 3.77Å; K469-W474 HydrophobicContact CB-CZ2 4.12Å; K469-W474 HydrophobicContact CB-CZ3 3.71Å; K469-W474 HydrophobicContact CD-CH2 3.77Å; K469-W474 HydrophobicContact CD-CZ2 3.65Å; K469-W474 HydrophobicContact CG-CD2 4.45Å; K469-W474 HydrophobicContact CG-CH2 3.9Å; K469-W474 HydrophobicContact CG-CZ2 3.75Å; K469-W474 HydrophobicContact CG-CZ3 4.27Å; K469-K505 HydrophobicContact CB-CB 4.39Å; K469-K505 PolarHBondContact N-O 3.42Å; K469-Y507 HydrophobicContact CB-CD2 4.48Å; K469-Y507 HydrophobicContact CB-CE2 3.97Å; K469-Y507 HydrophobicContact CD-CE2 4.24Å
470C88Confident91.4Very high5 Ų537.9 Ų37.93%0.03418%0.182CC..EExtended strand (participates in β ladder)trans-115.2102.3178.9-176.60000109.3V468 R472 H473 L475V468-C470 PolarHBondContact O-N 2.88Å; C470-R472 PolarHBondContact O-N 2.78Å; C470-H473 PolarHBondContact N-O 2.83Å; C470-H473 WeakPolarHBondContact O-CA 3.36Å; C470-H473 WeakPolarHBondContact O-CB 3.49Å; C470-H473 PolarHBondContact O-N 3.2Å; C470-L475 HydrophobicContact CB-CD1 4.38Å
471E81.6Confident91.4Very high96 Ų9637.5 Ų37.545%0.44918%0.182SC..THydrogen-bonded Turntrans49.7-102.1-172-61-178.2-174.100113.5T355T355-E471 HydrophobicContact CG2-CB 4.48Å; T355-E471 HydrophobicContact CG2-CG 4.35Å
472R82.7Confident91.4Very high216 Ų21636.2 Ų36.282%0.81517%0.174SC*.THydrogen-bonded Turntrans-105.99.6179.9-62.6-179175.8-176.3-1.5113C470C470-R472 PolarHBondContact O-N 2.78Å
473H88.8Confident91.3Very high32 Ų3233.6 Ų33.615%0.14816%0.158CC..EExtended strand (participates in β ladder)trans-125.5157.5-171.2-57-58.9000111.4F442 C470F442-H473 AromaticContact CE1-ND1 3.94Å; F442-H473 HydrophobicContact CE2-CB 4.02Å; F442-H473 HydrophobicContact CZ-CB 3.99Å; F442-H473 AromaticContact CZ-CE1 3.98Å; F442-H473 AromaticContact CZ-CG 3.69Å; F442-H473 AromaticContact CZ-ND1 3.33Å; F442-H473 VanDerWaalsContact CZ-ND1 3.33Å; F442-H473 WeakPolarHBondContact CZ-ND1 3.37Å; C470-H473 PolarHBondContact N-O 2.83Å; C470-H473 WeakPolarHBondContact O-CA 3.36Å; C470-H473 WeakPolarHBondContact O-CB 3.49Å; C470-H473 PolarHBondContact O-N 3.2Å
474W93.7Very high90.5Very high15 Ų1536 Ų366%0.05716%0.16CC..EExtended strand (participates in β ladder)trans-126.4122.9-179.8-70.297000108.2M445 Y449 V468 K469 Y507M445-W474 HydrophobicContact CB-CB 4.05Å; M445-W474 HydrophobicContact CE-CB 4.39Å; Y449-W474 HydrophobicContact CD1-CE3 4.26Å; Y449-W474 HydrophobicContact CD1-CH2 4.38Å; Y449-W474 HydrophobicContact CD1-CZ3 4.08Å; Y449-W474 HydrophobicContact CD2-CB 4.39Å; Y449-W474 HydrophobicContact CD2-CD2 4.37Å; Y449-W474 HydrophobicContact CD2-CE3 4.32Å; Y449-W474 HydrophobicContact CD2-CG 4.4Å; Y449-W474 AromaticContact CG-CD2 3.96Å; Y449-W474 HydrophobicContact CG-CD2 3.96Å; Y449-W474 AromaticContact CG-CE3 3.89Å; Y449-W474 HydrophobicContact CG-CE3 3.89Å; Y449-W474 HydrophobicContact CG-CG 4.36Å; Y449-W474 HydrophobicContact CG-CH2 4.47Å; Y449-W474 HydrophobicContact CG-CZ3 4.14Å; Y449-W474 VanDerWaalsContact O-CE2 3.27Å; Y449-W474 WeakPolarHBondContact O-CZ2 3.43Å; Y449-W474 PolarHBondContact O-NE1 3.06Å; Y449-W474 VanDerWaalsContact O-NE1 3.11Å; V468-W474 WeakPolarHBondContact O-CA 3.49Å; K469-W474 HydrophobicContact CB-CD2 4.42Å; K469-W474 HydrophobicContact CB-CE3 4.03Å; K469-W474 HydrophobicContact CB-CH2 3.77Å; K469-W474 HydrophobicContact CB-CZ2 4.12Å; K469-W474 HydrophobicContact CB-CZ3 3.71Å; K469-W474 HydrophobicContact CD-CH2 3.77Å; K469-W474 HydrophobicContact CD-CZ2 3.65Å; K469-W474 HydrophobicContact CG-CD2 4.45Å; K469-W474 HydrophobicContact CG-CH2 3.9Å; K469-W474 HydrophobicContact CG-CZ2 3.75Å; K469-W474 HydrophobicContact CG-CZ3 4.27Å; W474-Y507 HydrophobicContact CH2-CD1 4.11Å; W474-Y507 AromaticContact CH2-CD2 3.67Å; W474-Y507 HydrophobicContact CH2-CD2 3.67Å; W474-Y507 HydrophobicContact CH2-CE1 4Å; W474-Y507 AromaticContact CH2-CE2 3.54Å; W474-Y507 HydrophobicContact CH2-CE2 3.54Å; W474-Y507 AromaticContact CH2-CG 3.96Å; W474-Y507 HydrophobicContact CH2-CG 3.96Å; W474-Y507 AromaticContact CH2-CZ 3.71Å; W474-Y507 HydrophobicContact CZ3-CD1 4.3Å; W474-Y507 AromaticContact CZ3-CD2 3.4Å; W474-Y507 HydrophobicContact CZ3-CD2 3.4Å; W474-Y507 AromaticContact CZ3-CE2 3.74Å; W474-Y507 HydrophobicContact CZ3-CE2 3.74Å; W474-Y507 AromaticContact CZ3-CG 3.71Å; W474-Y507 HydrophobicContact CZ3-CG 3.71Å
475L94.5Very high89.9Confident4 Ų436.9 Ų36.92%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-122.4154.3-176.5-65.2175000109.8I354 F442 A467 V468 C470 Y492 V495I354-L475 HydrophobicContact CG2-CD1 3.71Å; F442-L475 HydrophobicContact CD2-CD2 3.96Å; F442-L475 HydrophobicContact CE2-CD2 3.9Å; A467-L475 CarbonylContact C-O 3.55Å; A467-L475 WeakPolarHBondContact CA-O 3.39Å; V468-L475 PolarHBondContact N-O 3.44Å; V468-L475 PolarHBondContact O-N 2.86Å; C470-L475 HydrophobicContact CB-CD1 4.38Å; L475-Y492 HydrophobicContact CB-CD1 3.78Å; L475-Y492 HydrophobicContact CB-CE1 4.02Å; L475-Y492 HydrophobicContact CD1-CD1 3.85Å; L475-Y492 HydrophobicContact CD1-CE1 3.92Å; L475-Y492 HydrophobicContact CD1-CG 4.43Å; L475-Y492 HydrophobicContact CG-CD1 4.49Å; L475-V495 HydrophobicContact CD1-CG2 4.25Å; L475-V495 HydrophobicContact CD2-CG2 4.41Å
476R95.5Very high89.6Confident5 Ų541 Ų412%0.01919%0.188CC..EExtended strand (participates in β ladder)trans-83.4148.5168.4-54.8-171.3-63-179.8-8.4110.2L441 M445 V466 Y492 S493 D494 L509 F513 V516 Q517L441-R476 VanDerWaalsContact CD2-CZ 3.45Å; M445-R476 HydrophobicContact CE-CG 3.85Å; M445-R476 HydrophobicContact SD-CG 3.56Å; M445-R476 VanDerWaalsContact SD-CG 3.56Å; V466-R476 WeakPolarHBondContact O-CA 3.36Å; R476-Y492 WeakPolarHBondContact O-CA 3.43Å; R476-S493 PolarHBondContact O-N 3Å; R476-S493 VanDerWaalsContact O-N 3.08Å; R476-D494 IonicContact CZ-OD1 3.54Å; R476-D494 IonicContact CZ-OD2 3.8Å; R476-D494 IonicContact NE-OD1 2.7Å; R476-D494 IonicContact NE-OD2 3.3Å; R476-D494 PolarHBondContact NE-OD2 2.82Å; R476-D494 IonicContact NH2-OD1 3.56Å; R476-D494 PolarHBondContact NH2-OD1 3.32Å; R476-D494 IonicContact NH2-OD2 2.75Å; R476-D494 PolarHBondContact NH2-OD2 2.95Å; R476-L509 HydrophobicContact CG-CD1 3.96Å; R476-L509 HydrophobicContact CG-CD2 4.5Å; R476-F513 WeakPolarHBondContact CD-O 3.44Å; R476-F513 PolarHBondContact NH1-O 2.86Å; R476-V516 PolarHBondContact NH1-O 2.81Å; R476-Q517 PolarHBondContact NH2-O 3.47Å
477G94.4Very high89.4Confident0 Ų041.1 Ų41.10%019%0.189CC..EExtended strand (participates in β ladder)trans-149.5165.7169.800000113.2Y465 V466 F491 S493Y465-G477 WeakPolarHBondContact CA-O 3.36Å; V466-G477 WeakPolarHBondContact CG2-O 3.48Å; V466-G477 PolarHBondContact N-O 2.96Å; V466-G477 PolarHBondContact O-N 2.76Å; G477-F491 CarbonylContact C-O 3.44Å; G477-F491 WeakPolarHBondContact CA-O 3.39Å; G477-S493 WeakPolarHBondContact CA-OG 3.21Å
478I93.7Very high89.1Confident3 Ų341.1 Ų41.12%0.01519%0.189CC..EExtended strand (participates in β ladder)trans-115131.5171.7-63.4156.1000108.2E464 Y465 C480 V490 F491 T568E464-I478 WeakPolarHBondContact O-CA 3.37Å; Y465-I478 HydrophobicContact CD1-CD1 4.41Å; Y465-I478 HydrophobicContact CD1-CG1 3.86Å; Y465-I478 HydrophobicContact CD2-CG1 4.26Å; Y465-I478 HydrophobicContact CE1-CD1 3.8Å; Y465-I478 HydrophobicContact CE1-CG1 3.75Å; Y465-I478 HydrophobicContact CE2-CD1 4.36Å; Y465-I478 HydrophobicContact CE2-CG1 4.16Å; Y465-I478 HydrophobicContact CG-CG1 4.12Å; I478-C480 PolarHBondContact O-N 2.86Å; I478-V490 WeakPolarHBondContact O-CA 3.44Å; I478-F491 PolarHBondContact N-O 3.28Å; I478-F491 PolarHBondContact O-N 2.92Å; I478-T568 HydrophobicContact CB-CG2 4.11Å; I478-T568 HydrophobicContact CD1-CG2 4.47Å; I478-T568 HydrophobicContact CG2-CG2 3.78Å
479V93.2Very high89Confident0 Ų041.8 Ų41.80%019%0.192CC..EExtended strand (participates in β ladder)trans-72.4109.8176.8179.30000109.8L460 N461 G463 E464 V466 I482 A488L460-V479 HydrophobicContact CD1-CG2 3.7Å; L460-V479 HydrophobicContact CD2-CG1 4.05Å; L460-V479 HydrophobicContact CD2-CG2 3.98Å; L460-V479 HydrophobicContact CG-CG1 4.19Å; L460-V479 HydrophobicContact CG-CG2 3.84Å; N461-V479 VanDerWaalsContact O-CB 3.25Å; N461-V479 WeakPolarHBondContact O-CB 3.4Å; N461-V479 WeakPolarHBondContact O-CG1 3.37Å; G463-V479 PolarHBondContact N-O 3.3Å; E464-V479 HydrophobicContact CB-CG2 4.3Å; E464-V479 PolarHBondContact O-N 3.19Å; V466-V479 HydrophobicContact CG1-CG2 3.98Å; V466-V479 HydrophobicContact CG2-CG2 4.13Å; V479-I482 HydrophobicContact CG1-CG1 4.27Å; V479-A488 HydrophobicContact CG1-CB 4.21Å
480C90.7Very high88.9Confident10 Ų1037.9 Ų37.97%0.06818%0.175CC..EExtended strand (participates in β ladder)trans-86.8-35.8179.3-52.90000112.7Y222 V462 I478 L489 F491 L498Y222-C480 HydrophobicContact CE2-CB 4.46Å; V462-C480 WeakPolarHBondContact CG1-O 3.42Å; I478-C480 PolarHBondContact O-N 2.86Å; C480-L489 PolarHBondContact N-O 2.88Å; C480-F491 VanDerWaalsContact SG-CB 3.53Å; C480-L498 HydrophobicContact CB-CD1 4.14Å; C480-L498 WeakPolarHBondContact SG-CD1 3.25Å
481A88.9Confident89.2Confident13 Ų1337.8 Ų37.811%0.10717%0.174CC..EExtended strand (participates in β ladder)trans-155.4152.517800000110.9A488 L489A481-A488 CarbonylContact O-C 3.58Å; A481-A488 WeakPolarHBondContact O-CA 3.37Å; A481-A488 WeakPolarHBondContact O-CB 3.29Å; A481-L489 HydrophobicContact CB-CB 4.07Å; A481-L489 PolarHBondContact N-O 3.47Å; A481-L489 PolarHBondContact O-N 2.86Å
482I90.3Very high89.8Confident72 Ų7233.8 Ų33.837%0.36916%0.155SC..EExtended strand (participates in β ladder)trans-103.1134175.1-55.4168.8000107.9L460 V462 V479 F503L460-I482 WeakPolarHBondContact O-CD1 3.49Å; V462-I482 HydrophobicContact CG2-CD1 4.21Å; V462-I482 HydrophobicContact CG2-CG1 4.07Å; V479-I482 HydrophobicContact CG1-CG1 4.27Å; I482-F503 HydrophobicContact CG2-CE1 4.28Å; I482-F503 HydrophobicContact CG2-CZ 3.83Å
483L86.8Confident90.2Very high8 Ų823.5 Ų23.54%0.04212%0.116CC..EExtended strand (participates in β ladder)trans-119.1137.6-175.7-46.9172.8000109.5L99 L485 S487 K500L99-L483 HydrophobicContact CD2-CD1 3.87Å; L99-L483 HydrophobicContact CD2-CD2 3.65Å; L99-L483 HydrophobicContact CD2-CG 4.44Å; L483-L485 PolarHBondContact O-N 2.88Å; L483-S487 CarbonylContact C-O 3.6Å; L483-S487 WeakPolarHBondContact CA-O 3.3Å; L483-S487 VanDerWaalsContact CB-O 3.25Å; L483-S487 WeakPolarHBondContact CB-O 3.13Å; L483-S487 PolarHBondContact N-O 2.93Å; L483-S487 PolarHBondContact O-N 3.46Å; L483-K500 HydrophobicContact CD1-CD 3.83Å; L483-K500 HydrophobicContact CD1-CG 3.95Å
484E71.7Confident90.5Very high84 Ų8422.4 Ų22.439%0.39311%0.111SC..THydrogen-bonded Turntrans-68.18.4-171-57.9158.4-135.200115.9R100 P101R100-E484 VanDerWaalsContact C-OE1 3.22Å; R100-E484 HydrophobicContact CB-CB 3.9Å; R100-E484 HydrophobicContact CB-CG 3.92Å; R100-E484 WeakPolarHBondContact CB-OE1 3.43Å; R100-E484 WeakPolarHBondContact CD-OE2 3.47Å; R100-E484 HydrophobicContact CG-CB 4.33Å; R100-E484 VanDerWaalsContact CZ-CB 3.47Å; R100-E484 IonicContact CZ-OE2 2.75Å; R100-E484 IonicContact NE-OE2 3.51Å; R100-E484 VanDerWaalsContact NH1-CB 3.31Å; R100-E484 IonicContact NH1-OE2 3.37Å; R100-E484 PolarHBondContact NH1-OE2 3.38Å; R100-E484 PolarHBondContact NH2-O 3.42Å; P101-E484 VanDerWaalsContact CD-OE1 3.32Å; P101-E484 WeakPolarHBondContact CD-OE1 3.5Å
485L77.5Confident90.4Very high70 Ų7022.1 Ų22.137%0.36611%0.112SC..THydrogen-bonded Turntrans-112.149.5179.3-75.3160000110L98 R100 L483 S487L98-L485 HydrophobicContact CB-CD1 3.71Å; L98-L485 HydrophobicContact CD1-CD1 4.34Å; L98-L485 HydrophobicContact CD2-CD1 3.91Å; L98-L485 HydrophobicContact CG-CD1 4.2Å; R100-L485 HydrophobicContact CG-CD1 4.19Å; R100-L485 VanDerWaalsContact NH2-CD2 3.29Å; L483-L485 PolarHBondContact O-N 2.88Å; L485-S487 VanDerWaalsContact C-OG 3.24Å; L485-S487 WeakPolarHBondContact O-CB 3.12Å; L485-S487 PolarHBondContact O-N 2.82Å; L485-S487 VanDerWaalsContact O-N 3.1Å; L485-S487 PolarHBondContact O-OG 3.34Å
486E86.3Confident90.2Very high145 Ų14522 Ų2268%0.67811%0.111SC*.THydrogen-bonded Turntrans44.846.9-178.4-60.8-177.7163.800112.1A502 F503E486-A502 CarbonylContact O-C 3.57Å; E486-A502 WeakPolarHBondContact O-CA 3.01Å; E486-F503 VanDerWaalsContact C-CG 3.43Å; E486-F503 HydrophobicContact CB-CD2 3.99Å; E486-F503 HydrophobicContact CB-CE2 4.41Å; E486-F503 HydrophobicContact CB-CG 4.45Å; E486-F503 WeakPolarHBondContact O-CG 3.44Å; E486-F503 PolarHBondContact O-N 2.93Å
487S91.7Very high89.8Confident3 Ų323.3 Ų23.32%0.02112%0.117CC..EExtended strand (participates in β ladder)trans-152.3153.2-171.337.80000112L483 L485 K500 V501 F503L483-S487 CarbonylContact C-O 3.6Å; L483-S487 WeakPolarHBondContact CA-O 3.3Å; L483-S487 VanDerWaalsContact CB-O 3.25Å; L483-S487 WeakPolarHBondContact CB-O 3.13Å; L483-S487 PolarHBondContact N-O 2.93Å; L483-S487 PolarHBondContact O-N 3.46Å; L485-S487 VanDerWaalsContact C-OG 3.24Å; L485-S487 WeakPolarHBondContact O-CB 3.12Å; L485-S487 PolarHBondContact O-N 2.82Å; L485-S487 VanDerWaalsContact O-N 3.1Å; L485-S487 PolarHBondContact O-OG 3.34Å; S487-K500 WeakPolarHBondContact OG-CE 3.33Å; S487-K500 PolarHBondContact OG-NZ 2.94Å; S487-K500 VanDerWaalsContact OG-NZ 3.15Å; S487-V501 CarbonylContact C-O 3.59Å; S487-V501 WeakPolarHBondContact CA-O 3.49Å; S487-V501 WeakPolarHBondContact CB-O 3.35Å; S487-F503 VanDerWaalsContact N-CE1 3.3Å; S487-F503 VanDerWaalsContact O-CE1 3.32Å; S487-F503 WeakPolarHBondContact O-CE1 3.45Å
488A91.9Very high89.6Confident0 Ų026.2 Ų26.20%013%0.133CC..EExtended strand (participates in β ladder)trans-118.6159.1175.100000110.5L460 V479 A481 V490 K500 V501 F503 I506L460-A488 HydrophobicContact CD2-CB 3.64Å; V479-A488 HydrophobicContact CG1-CB 4.21Å; A481-A488 CarbonylContact O-C 3.58Å; A481-A488 WeakPolarHBondContact O-CA 3.37Å; A481-A488 WeakPolarHBondContact O-CB 3.29Å; A488-V490 HydrophobicContact CB-CG2 3.83Å; A488-K500 CarbonylContact O-C 3.56Å; A488-K500 WeakPolarHBondContact O-CA 3.49Å; A488-V501 PolarHBondContact N-O 3.31Å; A488-V501 PolarHBondContact O-N 3.27Å; A488-F503 HydrophobicContact CB-CE1 4.31Å; A488-I506 HydrophobicContact CB-CD1 3.77Å
489L92.4Very high89.4Confident14 Ų1427.4 Ų27.47%0.07314%0.138CC..EExtended strand (participates in β ladder)trans-90.1117.9159.1-164.972.9000107.2V65 C480 A481 L498 H499V65-L489 HydrophobicContact CG2-CD2 3.54Å; C480-L489 PolarHBondContact N-O 2.88Å; A481-L489 HydrophobicContact CB-CB 4.07Å; A481-L489 PolarHBondContact N-O 3.47Å; A481-L489 PolarHBondContact O-N 2.86Å; L489-L498 HydrophobicContact CD1-CG 4.16Å; L489-L498 HydrophobicContact CD2-CD1 4.13Å; L489-L498 HydrophobicContact CD2-CD2 3.86Å; L489-L498 HydrophobicContact CD2-CG 4.05Å; L489-L498 HydrophobicContact CG-CD1 3.85Å; L489-L498 HydrophobicContact CG-CD2 4.27Å; L489-L498 HydrophobicContact CG-CG 3.88Å; L489-H499 WeakPolarHBondContact CA-O 3.45Å
490V93Very high89.4Confident0 Ų030.6 Ų30.60%015%0.152CC..EExtended strand (participates in β ladder)trans-122.4128.4-173.6-175.20000109.5V466 V468 I478 A488 H499 V501 I506V466-V490 HydrophobicContact CG2-CG1 4.3Å; V468-V490 HydrophobicContact CG2-CG1 4.13Å; I478-V490 WeakPolarHBondContact O-CA 3.44Å; A488-V490 HydrophobicContact CB-CG2 3.83Å; V490-H499 PolarHBondContact N-O 2.78Å; V490-H499 PolarHBondContact O-N 2.78Å; V490-V501 HydrophobicContact CB-CG2 4.03Å; V490-V501 HydrophobicContact CG2-CB 4.1Å; V490-V501 HydrophobicContact CG2-CG2 4.04Å; V490-I506 HydrophobicContact CG2-CD1 4.02Å
491F93.2Very high89.5Confident4 Ų430.5 Ų30.52%0.01815%0.151CC..EExtended strand (participates in β ladder)trans-87.2119.4169.6176.3-103000108.6T426 G477 I478 C480 S493 L498 A520 V522 T568T426-F491 HydrophobicContact CG2-CE2 4.03Å; G477-F491 CarbonylContact C-O 3.44Å; G477-F491 WeakPolarHBondContact CA-O 3.39Å; I478-F491 PolarHBondContact N-O 3.28Å; I478-F491 PolarHBondContact O-N 2.92Å; C480-F491 VanDerWaalsContact SG-CB 3.53Å; F491-S493 PolarHBondContact O-N 2.83Å; F491-S493 VanDerWaalsContact O-N 3.16Å; F491-L498 HydrophobicContact CB-CD1 3.92Å; F491-A520 HydrophobicContact CE1-CB 4.1Å; F491-A520 HydrophobicContact CZ-CB 3.93Å; F491-V522 HydrophobicContact CE2-CG2 4.49Å; F491-T568 HydrophobicContact CB-CG2 4.2Å
492Y94.3Very high89.7Confident11 Ų1131.8 Ų31.84%0.04316%0.161CC..  trans-73.4105.9176.4-71.6-71.9000110.3I354 V468 L475 R476 D494 V495 G496 E497 H499I354-Y492 HydrophobicContact CD1-CD2 4.34Å; I354-Y492 HydrophobicContact CD1-CE2 3.49Å; I354-Y492 VanDerWaalsContact CD1-CE2 3.49Å; I354-Y492 HydrophobicContact CG1-CE2 4.46Å; V468-Y492 HydrophobicContact CB-CE1 3.83Å; V468-Y492 HydrophobicContact CG1-CE1 3.71Å; V468-Y492 HydrophobicContact CG2-CE1 4.24Å; L475-Y492 HydrophobicContact CB-CD1 3.78Å; L475-Y492 HydrophobicContact CB-CE1 4.02Å; L475-Y492 HydrophobicContact CD1-CD1 3.85Å; L475-Y492 HydrophobicContact CD1-CE1 3.92Å; L475-Y492 HydrophobicContact CD1-CG 4.43Å; L475-Y492 HydrophobicContact CG-CD1 4.49Å; R476-Y492 WeakPolarHBondContact O-CA 3.43Å; Y492-D494 PolarHBondContact O-N 2.86Å; Y492-V495 PolarHBondContact O-N 2.88Å; Y492-G496 PolarHBondContact O-N 3.4Å; Y492-E497 WeakPolarHBondContact CD2-O 3.31Å; Y492-E497 PolarHBondContact N-O 3.09Å; Y492-H499 HydrophobicContact CD2-CB 4.4Å; Y492-H499 AromaticContact CD2-ND1 3.71Å; Y492-H499 HydrophobicContact CE2-CB 3.72Å; Y492-H499 AromaticContact CE2-CG 3.78Å; Y492-H499 AromaticContact CE2-ND1 3.57Å
493S92.7Very high89.8Confident1 Ų131.2 Ų31.21%0.00716%0.157CC..THydrogen-bonded Turntrans-61.9-14.2-170.1-46.50000114.8R476 G477 F491 Q518 M519 A520R476-S493 PolarHBondContact O-N 3Å; R476-S493 VanDerWaalsContact O-N 3.08Å; G477-S493 WeakPolarHBondContact CA-OG 3.21Å; F491-S493 PolarHBondContact O-N 2.83Å; F491-S493 VanDerWaalsContact O-N 3.16Å; S493-Q518 WeakPolarHBondContact O-CB 3.47Å; S493-M519 PolarHBondContact O-N 3Å; S493-A520 WeakPolarHBondContact O-CA 3.44Å; S493-A520 WeakPolarHBondContact O-CB 3.41Å; S493-A520 PolarHBondContact O-N 2.79Å
494D93.6Very high90.1Very high8 Ų835.4 Ų35.44%0.04318%0.182CC..THydrogen-bonded Turntrans-113.8-3.3177.9-59.2-56.4000113.8F438 R476 Y492 M519F438-D494 HydrophobicContact CD2-CB 3.69Å; F438-D494 HydrophobicContact CE2-CB 3.5Å; F438-D494 VanDerWaalsContact CE2-CB 3.5Å; F438-D494 HydrophobicContact CZ-CB 4.39Å; R476-D494 IonicContact CZ-OD1 3.54Å; R476-D494 IonicContact CZ-OD2 3.8Å; R476-D494 IonicContact NE-OD1 2.7Å; R476-D494 IonicContact NE-OD2 3.3Å; R476-D494 PolarHBondContact NE-OD2 2.82Å; R476-D494 IonicContact NH2-OD1 3.56Å; R476-D494 PolarHBondContact NH2-OD1 3.32Å; R476-D494 IonicContact NH2-OD2 2.75Å; R476-D494 PolarHBondContact NH2-OD2 2.95Å; Y492-D494 PolarHBondContact O-N 2.86Å; D494-M519 HydrophobicContact CB-CB 4.43Å; D494-M519 HydrophobicContact CB-CG 4.25Å; D494-M519 PolarHBondContact OD1-N 2.8Å
495V91.4Very high91.1Very high10 Ų1034.3 Ų34.36%0.06118%0.176CC..THydrogen-bonded Turntrans-121.4-23-176-171.50000112.6V417 L475 Y492 E497V417-V495 WeakPolarHBondContact CG2-O 3.25Å; L475-V495 HydrophobicContact CD1-CG2 4.25Å; L475-V495 HydrophobicContact CD2-CG2 4.41Å; Y492-V495 PolarHBondContact O-N 2.88Å; V495-E497 VanDerWaalsContact C-N 3.31Å; V495-E497 HydrophobicContact CG1-CG 4.34Å; V495-E497 PolarHBondContact O-N 3.42Å
496G90.4Very high92Very high1 Ų131 Ų311%0.0116%0.159CC..  trans78.312.2176.500000115V417 T426 Y492 A520V417-G496 WeakPolarHBondContact CG1-O 3.43Å; T426-G496 VanDerWaalsContact CB-O 3.24Å; T426-G496 WeakPolarHBondContact CB-O 3.25Å; T426-G496 PolarHBondContact OG1-O 3.38Å; Y492-G496 PolarHBondContact O-N 3.4Å; G496-A520 VanDerWaalsContact CA-CB 3.47Å
497E88.8Confident92.4Very high32 Ų3225.1 Ų25.115%0.1513%0.131CC..  trans-112.1136.2-178.3-63.1-169.3-156.100111.6R357 V417 Y492 V495 H499R357-E497 IonicContact CZ-OE1 3.63Å; R357-E497 IonicContact NH1-OE1 2.83Å; R357-E497 PolarHBondContact NH1-OE1 2.9Å; V417-E497 HydrophobicContact CG1-CG 3.51Å; Y492-E497 WeakPolarHBondContact CD2-O 3.31Å; Y492-E497 PolarHBondContact N-O 3.09Å; V495-E497 VanDerWaalsContact C-N 3.31Å; V495-E497 HydrophobicContact CG1-CG 4.34Å; V495-E497 PolarHBondContact O-N 3.42Å; E497-H499 IonicContact OE2-CE1 2.71Å
498L89.3Confident92.6Very high61 Ų6127.9 Ų27.932%0.31915%0.149SC..EExtended strand (participates in β ladder)trans-98119.1-177-172.767.6000109.6C480 L489 F491C480-L498 HydrophobicContact CB-CD1 4.14Å; C480-L498 WeakPolarHBondContact SG-CD1 3.25Å; L489-L498 HydrophobicContact CD1-CG 4.16Å; L489-L498 HydrophobicContact CD2-CD1 4.13Å; L489-L498 HydrophobicContact CD2-CD2 3.86Å; L489-L498 HydrophobicContact CD2-CG 4.05Å; L489-L498 HydrophobicContact CG-CD1 3.85Å; L489-L498 HydrophobicContact CG-CD2 4.27Å; L489-L498 HydrophobicContact CG-CG 3.88Å; F491-L498 HydrophobicContact CB-CD1 3.92Å
499H89.6Confident92.8Very high29 Ų2929 Ų2913%0.13415%0.154CC..EExtended strand (participates in β ladder)trans-130.7152.6-174-77.986.8000112.5L489 V490 Y492 E497 V501L489-H499 WeakPolarHBondContact CA-O 3.45Å; V490-H499 PolarHBondContact N-O 2.78Å; V490-H499 PolarHBondContact O-N 2.78Å; Y492-H499 HydrophobicContact CD2-CB 4.4Å; Y492-H499 AromaticContact CD2-ND1 3.71Å; Y492-H499 HydrophobicContact CE2-CB 3.72Å; Y492-H499 AromaticContact CE2-CG 3.78Å; Y492-H499 AromaticContact CE2-ND1 3.57Å; E497-H499 IonicContact OE2-CE1 2.71Å; H499-V501 HydrophobicContact CB-CG2 4.43Å
500K92.1Very high92.8Very high67 Ų6731.1 Ų31.129%0.29117%0.166SC..EExtended strand (participates in β ladder)trans-80.9129.5164.9-179.1172.2-178.8176.40109.6G97 L98 L483 S487 A488G97-K500 WeakPolarHBondContact O-CD 3.49Å; L98-K500 VanDerWaalsContact CB-NZ 3.33Å; L98-K500 PolarHBondContact O-NZ 3.15Å; L483-K500 HydrophobicContact CD1-CD 3.83Å; L483-K500 HydrophobicContact CD1-CG 3.95Å; S487-K500 WeakPolarHBondContact OG-CE 3.33Å; S487-K500 PolarHBondContact OG-NZ 2.94Å; S487-K500 VanDerWaalsContact OG-NZ 3.15Å; A488-K500 CarbonylContact O-C 3.56Å; A488-K500 WeakPolarHBondContact O-CA 3.49Å
501V93.2Very high92.8Very high8 Ų835.5 Ų35.55%0.04819%0.194CC..EExtended strand (participates in β ladder)trans-132133.9-176.5-175.10000109.3V468 S487 A488 V490 H499 K505 I506V468-V501 HydrophobicContact CG1-CG1 3.73Å; V468-V501 HydrophobicContact CG1-CG2 4.32Å; S487-V501 CarbonylContact C-O 3.59Å; S487-V501 WeakPolarHBondContact CA-O 3.49Å; S487-V501 WeakPolarHBondContact CB-O 3.35Å; A488-V501 PolarHBondContact N-O 3.31Å; A488-V501 PolarHBondContact O-N 3.27Å; V490-V501 HydrophobicContact CB-CG2 4.03Å; V490-V501 HydrophobicContact CG2-CB 4.1Å; V490-V501 HydrophobicContact CG2-CG2 4.04Å; H499-V501 HydrophobicContact CB-CG2 4.43Å; V501-K505 HydrophobicContact CG1-CB 3.87Å; V501-I506 HydrophobicContact CB-CD1 4.15Å; V501-I506 HydrophobicContact CB-CG1 4.28Å; V501-I506 HydrophobicContact CG1-CD1 4.03Å; V501-I506 HydrophobicContact CG1-CG1 3.61Å
502A93.2Very high92.8Very high39 Ų3941.6 Ų41.632%0.32222%0.217SC..EExtended strand (participates in β ladder)trans-72.5144173.900000111.3E486 T504 K505E486-A502 CarbonylContact O-C 3.57Å; E486-A502 WeakPolarHBondContact O-CA 3.01Å; A502-T504 PolarHBondContact O-N 2.71Å; A502-T504 VanDerWaalsContact O-N 3.15Å; A502-K505 WeakPolarHBondContact O-CA 3.36Å; A502-K505 WeakPolarHBondContact O-CB 3.48Å; A502-K505 PolarHBondContact O-N 2.95Å
503F93.1Very high92.8Very high61 Ų6141.1 Ų41.127%0.26822%0.215SC..G310 helixtrans-55.1-34.3179.8-66-14000112.2L460 I482 E486 S487 A488 K505 I506L460-F503 HydrophobicContact CD2-CD1 4.01Å; L460-F503 HydrophobicContact CD2-CE1 3.78Å; I482-F503 HydrophobicContact CG2-CE1 4.28Å; I482-F503 HydrophobicContact CG2-CZ 3.83Å; E486-F503 VanDerWaalsContact C-CG 3.43Å; E486-F503 HydrophobicContact CB-CD2 3.99Å; E486-F503 HydrophobicContact CB-CE2 4.41Å; E486-F503 HydrophobicContact CB-CG 4.45Å; E486-F503 WeakPolarHBondContact O-CG 3.44Å; E486-F503 PolarHBondContact O-N 2.93Å; S487-F503 VanDerWaalsContact N-CE1 3.3Å; S487-F503 VanDerWaalsContact O-CE1 3.32Å; S487-F503 WeakPolarHBondContact O-CE1 3.45Å; A488-F503 HydrophobicContact CB-CE1 4.31Å; F503-K505 PolarHBondContact O-N 3.28Å; F503-I506 HydrophobicContact CD1-CD1 4.31Å; F503-I506 PolarHBondContact O-N 3.46Å
504T92.5Very high92.7Very high95 Ų9541.9 Ų41.958%0.58322%0.221SC*.G310 helixtrans-60.9-13.7174.154.20000114.6A502A502-T504 PolarHBondContact O-N 2.71Å; A502-T504 VanDerWaalsContact O-N 3.15Å
505K94Very high92.4Very high61 Ų6148.3 Ų48.327%0.26525%0.251SS..G310 helixtrans-104.82173-63.2-174.2177.5-174.80113.2E351 V468 K469 V501 A502 F503 Y507E351-K505 IonicContact OE1-NZ 3.53Å; E351-K505 PolarHBondContact OE1-NZ 3.04Å; E351-K505 IonicContact OE2-NZ 3.52Å; E351-K505 PolarHBondContact OE2-NZ 2.89Å; V468-K505 WeakPolarHBondContact CA-O 3.36Å; K469-K505 HydrophobicContact CB-CB 4.39Å; K469-K505 PolarHBondContact N-O 3.42Å; V501-K505 HydrophobicContact CG1-CB 3.87Å; A502-K505 WeakPolarHBondContact O-CA 3.36Å; A502-K505 WeakPolarHBondContact O-CB 3.48Å; A502-K505 PolarHBondContact O-N 2.95Å; F503-K505 PolarHBondContact O-N 3.28Å; K505-Y507 WeakPolarHBondContact O-CD2 3.49Å
506I95.2Very high92.2Very high1 Ų149.9 Ų49.91%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-111.8124.8-175.4-57.1176.5000110P456 L457 L460 V466 A488 V490 V501 F503P456-I506 CarbonylContact C-O 3.46Å; P456-I506 WeakPolarHBondContact CA-O 3.45Å; P456-I506 WeakPolarHBondContact CB-O 3.39Å; L457-I506 HydrophobicContact CD1-CG2 4.23Å; L457-I506 PolarHBondContact N-O 3.2Å; L460-I506 HydrophobicContact CD1-CG2 3.85Å; L460-I506 HydrophobicContact CD2-CD1 4.11Å; V466-I506 HydrophobicContact CB-CG2 3.75Å; V466-I506 HydrophobicContact CG1-CG2 3.83Å; V466-I506 HydrophobicContact CG2-CG2 3.88Å; A488-I506 HydrophobicContact CB-CD1 3.77Å; V490-I506 HydrophobicContact CG2-CD1 4.02Å; V501-I506 HydrophobicContact CB-CD1 4.15Å; V501-I506 HydrophobicContact CB-CG1 4.28Å; V501-I506 HydrophobicContact CG1-CD1 4.03Å; V501-I506 HydrophobicContact CG1-CG1 3.61Å; F503-I506 HydrophobicContact CD1-CD1 4.31Å; F503-I506 PolarHBondContact O-N 3.46Å
507Y95.9Very high92.1Very high21 Ų2153 Ų538%0.08228%0.275CS..EExtended strand (participates in β ladder)trans-131156.9-169.2-68-105.1000110.9S454 K455 P456 A467 K469 W474 K505 L509S454-Y507 WeakPolarHBondContact O-CE1 3.45Å; K455-Y507 WeakPolarHBondContact O-CD1 3.4Å; P456-Y507 HydrophobicContact CG-CE1 3.94Å; P456-Y507 HydrophobicContact CG-CE2 4.42Å; A467-Y507 PolarHBondContact N-O 3.33Å; A467-Y507 PolarHBondContact O-N 3.1Å; K469-Y507 HydrophobicContact CB-CD2 4.48Å; K469-Y507 HydrophobicContact CB-CE2 3.97Å; K469-Y507 HydrophobicContact CD-CE2 4.24Å; W474-Y507 HydrophobicContact CH2-CD1 4.11Å; W474-Y507 AromaticContact CH2-CD2 3.67Å; W474-Y507 HydrophobicContact CH2-CD2 3.67Å; W474-Y507 HydrophobicContact CH2-CE1 4Å; W474-Y507 AromaticContact CH2-CE2 3.54Å; W474-Y507 HydrophobicContact CH2-CE2 3.54Å; W474-Y507 AromaticContact CH2-CG 3.96Å; W474-Y507 HydrophobicContact CH2-CG 3.96Å; W474-Y507 AromaticContact CH2-CZ 3.71Å; W474-Y507 HydrophobicContact CZ3-CD1 4.3Å; W474-Y507 AromaticContact CZ3-CD2 3.4Å; W474-Y507 HydrophobicContact CZ3-CD2 3.4Å; W474-Y507 AromaticContact CZ3-CE2 3.74Å; W474-Y507 HydrophobicContact CZ3-CE2 3.74Å; W474-Y507 AromaticContact CZ3-CG 3.71Å; W474-Y507 HydrophobicContact CZ3-CG 3.71Å; K505-Y507 WeakPolarHBondContact O-CD2 3.49Å; Y507-L509 PolarHBondContact O-N 3.26Å
508P94.9Very high92.2Very high61 Ų6152 Ų5240%0.39627%0.27SS..EExtended strand (participates in β ladder)trans-59.9133.2176.1-19.630.8000111.5Y449 K455 L457 L510Y449-P508 PolarHBondContact OH-O 3.26Å; K455-P508 WeakPolarHBondContact O-CD 3.2Å; L457-P508 HydrophobicContact CD2-CB 4.4Å; L457-P508 HydrophobicContact CD2-CG 3.87Å; L457-P508 HydrophobicContact CG-CG 3.93Å; P508-L510 PolarHBondContact O-N 3.07Å
509L95.2Very high92.4Very high23 Ų2349.6 Ų49.612%0.1226%0.258CS..PPolyproline II helixtrans-77120173.6-170.862.8000110.2M445 Y449 Y465 A467 R476 Y507 F513 A514M445-L509 HydrophobicContact CE-CD1 4.05Å; Y449-L509 WeakPolarHBondContact OH-CA 3.49Å; Y465-L509 WeakPolarHBondContact O-CB 3.27Å; A467-L509 HydrophobicContact CB-CD1 4.13Å; R476-L509 HydrophobicContact CG-CD1 3.96Å; R476-L509 HydrophobicContact CG-CD2 4.5Å; Y507-L509 PolarHBondContact O-N 3.26Å; L509-F513 HydrophobicContact CD1-CB 3.71Å; L509-F513 HydrophobicContact CG-CB 4.25Å; L509-A514 HydrophobicContact CD2-CB 3.94Å; L509-A514 HydrophobicContact CG-CB 4.47Å
510L94Very high92.5Very high60 Ų6048.2 Ų48.231%0.31425%0.251SS..PPolyproline II helixtrans-64.1136.1176.9-65177.2000109.8A448 Y449 P508 R512 F513 A514A448-L510 HydrophobicContact CB-CD1 4.21Å; Y449-L510 HydrophobicContact CE1-CG 4.4Å; Y449-L510 PolarHBondContact OH-N 2.66Å; P508-L510 PolarHBondContact O-N 3.07Å; L510-R512 VanDerWaalsContact C-N 3.34Å; L510-R512 PolarHBondContact O-N 3.06Å; L510-R512 VanDerWaalsContact O-N 3.13Å; L510-F513 HydrophobicContact CB-CD2 3.87Å; L510-F513 HydrophobicContact CB-CE2 4.29Å; L510-F513 HydrophobicContact CD1-CD2 4.35Å; L510-F513 HydrophobicContact CD1-CE2 3.96Å; L510-F513 HydrophobicContact CG-CD2 4.49Å; L510-F513 WeakPolarHBondContact O-CA 3.41Å; L510-F513 WeakPolarHBondContact O-CB 3.03Å; L510-F513 PolarHBondContact O-N 3.39Å; L510-A514 PolarHBondContact O-N 2.81Å
511P92.8Very high92.6Very high92 Ų9245.2 Ų45.260%0.59724%0.238SC*.Hα-helixtrans-51-43.4-170.7-32.436.4000115.5F513 A514 E515P511-F513 PolarHBondContact O-N 3.42Å; P511-F513 VanDerWaalsContact O-N 3.1Å; P511-A514 WeakPolarHBondContact O-CA 3.25Å; P511-A514 VanDerWaalsContact O-CB 3.3Å; P511-A514 WeakPolarHBondContact O-CB 3.37Å; P511-A514 PolarHBondContact O-N 3.12Å; P511-E515 PolarHBondContact O-N 2.99Å
512R93.1Very high92.5Very high132 Ų13245 Ų4550%0.49824%0.237SC..Hα-helixtrans-54.4-29.917564174.7179.3-129-3.1114.4L510L510-R512 VanDerWaalsContact C-N 3.34Å; L510-R512 PolarHBondContact O-N 3.06Å; L510-R512 VanDerWaalsContact O-N 3.13Å
513F94.2Very high92.5Very high0 Ų043.1 Ų43.10%022%0.221CC..Hα-helixtrans-89.9-15.7177.3-57.1-36.5000112.6L441 E444 M445 A448 Y449 R476 L509 L510 P511L441-F513 HydrophobicContact CD1-CB 3.98Å; L441-F513 HydrophobicContact CD1-CD1 3.54Å; L441-F513 HydrophobicContact CD1-CE1 4.33Å; L441-F513 HydrophobicContact CD1-CG 4.02Å; E444-F513 HydrophobicContact CB-CE1 3.65Å; E444-F513 HydrophobicContact CB-CZ 4.01Å; M445-F513 HydrophobicContact CB-CE2 4.39Å; M445-F513 HydrophobicContact CB-CZ 4.49Å; M445-F513 HydrophobicContact CG-CB 4.45Å; M445-F513 HydrophobicContact CG-CD1 4.02Å; M445-F513 HydrophobicContact CG-CD2 3.68Å; M445-F513 HydrophobicContact CG-CE1 4.1Å; M445-F513 HydrophobicContact CG-CE2 3.74Å; M445-F513 HydrophobicContact CG-CG 3.8Å; M445-F513 HydrophobicContact CG-CZ 3.95Å; M445-F513 HydrophobicContact SD-CG 4.5Å; A448-F513 HydrophobicContact CB-CE2 3.53Å; A448-F513 HydrophobicContact CB-CZ 3.57Å; Y449-F513 HydrophobicContact CD2-CE2 4.24Å; Y449-F513 AromaticContact CE2-CD2 3.72Å; Y449-F513 HydrophobicContact CE2-CD2 3.72Å; Y449-F513 AromaticContact CE2-CE2 3.7Å; Y449-F513 HydrophobicContact CE2-CE2 3.7Å; R476-F513 WeakPolarHBondContact CD-O 3.44Å; R476-F513 PolarHBondContact NH1-O 2.86Å; L509-F513 HydrophobicContact CD1-CB 3.71Å; L509-F513 HydrophobicContact CG-CB 4.25Å; L510-F513 HydrophobicContact CB-CD2 3.87Å; L510-F513 HydrophobicContact CB-CE2 4.29Å; L510-F513 HydrophobicContact CD1-CD2 4.35Å; L510-F513 HydrophobicContact CD1-CE2 3.96Å; L510-F513 HydrophobicContact CG-CD2 4.49Å; L510-F513 WeakPolarHBondContact O-CA 3.41Å; L510-F513 WeakPolarHBondContact O-CB 3.03Å; L510-F513 PolarHBondContact O-N 3.39Å; P511-F513 PolarHBondContact O-N 3.42Å; P511-F513 VanDerWaalsContact O-N 3.1Å
514A89.7Confident92.5Very high17 Ų1743 Ų4314%0.1422%0.221CC..Hα-helixtrans-73.8-43.4164.400000110.2L509 L510 P511 V516 R565L509-A514 HydrophobicContact CD2-CB 3.94Å; L509-A514 HydrophobicContact CG-CB 4.47Å; L510-A514 PolarHBondContact O-N 2.81Å; P511-A514 WeakPolarHBondContact O-CA 3.25Å; P511-A514 VanDerWaalsContact O-CB 3.3Å; P511-A514 WeakPolarHBondContact O-CB 3.37Å; P511-A514 PolarHBondContact O-N 3.12Å; A514-V516 VanDerWaalsContact C-N 3.29Å; A514-V516 PolarHBondContact O-N 3.29Å; A514-R565 PolarHBondContact O-NE 3.17Å; A514-R565 PolarHBondContact O-NH2 3.35Å
515E86.8Confident92.6Very high144 Ų14438.6 Ų38.667%0.67319%0.194SC*.Hα-helixtrans-53.6-37.5-176.1-74.5160.6-144.700114.5P511P511-E515 PolarHBondContact O-N 2.99Å
516V87.9Confident92.5Very high43 Ų4338.9 Ų38.926%0.26120%0.198SC..SBendtrans-61.1136.7177.3-173.10000111.3L441 R476 A514L441-V516 HydrophobicContact CD1-CG2 4.27Å; L441-V516 HydrophobicContact CD2-CB 4.47Å; L441-V516 HydrophobicContact CD2-CG1 4.25Å; R476-V516 PolarHBondContact NH1-O 2.81Å; A514-V516 VanDerWaalsContact C-N 3.29Å; A514-V516 PolarHBondContact O-N 3.29Å
517Q89.1Confident92.3Very high65 Ų6541.6 Ų41.630%0.30423%0.226SC..PPolyproline II helixtrans-56.3148.1172.8-164.7-177.818.100111.2R429 R476 W562R429-Q517 VanDerWaalsContact NH1-CD 3.26Å; R476-Q517 PolarHBondContact NH2-O 3.47Å; Q517-W562 PolarHBondContact NE2-O 3.21Å
518Q90.9Very high92.1Very high11 Ų1141 Ų415%0.05122%0.224CC..PPolyproline II helixtrans-91.2141.3178.777.8-173.744.800112.1S493 A520 V566S493-Q518 WeakPolarHBondContact O-CB 3.47Å; Q518-A520 WeakPolarHBondContact CG-O 3.27Å; Q518-A520 PolarHBondContact NE2-O 2.79Å; Q518-V566 PolarHBondContact NE2-O 3.36Å; Q518-V566 PolarHBondContact OE1-O 2.96Å; Q518-V566 VanDerWaalsContact OE1-O 3.11Å
519M92.2Very high91.4Very high11 Ų1140.9 Ų40.95%0.05422%0.223CC..SBendtrans-73.5-36.5178.5-55.7-17080.700112.4V428 R429 I435 F438 S493 D494V428-M519 CarbonylContact C-O 3.59Å; V428-M519 WeakPolarHBondContact CA-O 3.23Å; V428-M519 HydrophobicContact CB-CB 4.45Å; V428-M519 HydrophobicContact CG1-CB 4.44Å; R429-M519 PolarHBondContact N-O 2.7Å; R429-M519 VanDerWaalsContact O-CE 3.22Å; R429-M519 WeakPolarHBondContact O-CE 3.41Å; I435-M519 HydrophobicContact CG1-CE 3.98Å; F438-M519 HydrophobicContact CB-CE 4.18Å; F438-M519 HydrophobicContact CB-CG 3.91Å; F438-M519 HydrophobicContact CB-SD 3.28Å; F438-M519 WeakPolarHBondContact CB-SD 3.48Å; F438-M519 HydrophobicContact CD1-SD 3.55Å; F438-M519 VanDerWaalsContact CD1-SD 3.55Å; F438-M519 HydrophobicContact CD2-CG 4.43Å; F438-M519 HydrophobicContact CD2-SD 3.86Å; F438-M519 HydrophobicContact CE1-SD 4.33Å; F438-M519 HydrophobicContact CG-CG 4.21Å; F438-M519 HydrophobicContact CG-SD 3.27Å; F438-M519 WeakPolarHBondContact CG-SD 3.32Å; S493-M519 PolarHBondContact O-N 3Å; D494-M519 HydrophobicContact CB-CB 4.43Å; D494-M519 HydrophobicContact CB-CG 4.25Å; D494-M519 PolarHBondContact OD1-N 2.8Å
520A93.3Very high90.4Very high0 Ų042.6 Ų42.60%023%0.228CC..EExtended strand (participates in β ladder)trans-101.4145.2-166.100000113.1F427 V428 F491 S493 G496 Q518F427-A520 VanDerWaalsContact O-CA 3.23Å; F427-A520 WeakPolarHBondContact O-CA 3.3Å; V428-A520 HydrophobicContact CG1-CB 3.71Å; F491-A520 HydrophobicContact CE1-CB 4.1Å; F491-A520 HydrophobicContact CZ-CB 3.93Å; S493-A520 WeakPolarHBondContact O-CA 3.44Å; S493-A520 WeakPolarHBondContact O-CB 3.41Å; S493-A520 PolarHBondContact O-N 2.79Å; G496-A520 VanDerWaalsContact CA-CB 3.47Å; Q518-A520 WeakPolarHBondContact CG-O 3.27Å; Q518-A520 PolarHBondContact NE2-O 2.79Å
521F92.5Very high89.3Confident4 Ų445.4 Ų45.42%0.01824%0.244CC..EExtended strand (participates in β ladder)trans-152.8158.3177.557.5-77.3000111.7V412 I414 T426 F427 R429 A555 W562 V566 V571 L573V412-F521 HydrophobicContact CG2-CZ 4.26Å; I414-F521 HydrophobicContact CG2-CE1 4.06Å; I414-F521 HydrophobicContact CG2-CZ 3.76Å; T426-F521 WeakPolarHBondContact CA-O 3.49Å; F427-F521 HydrophobicContact CB-CD1 4.38Å; F427-F521 HydrophobicContact CB-CE1 4.06Å; F427-F521 HydrophobicContact CB-CE2 4.33Å; F427-F521 HydrophobicContact CB-CZ 4.04Å; F427-F521 HydrophobicContact CD2-CD2 4.36Å; F427-F521 HydrophobicContact CD2-CE2 4.13Å; F427-F521 HydrophobicContact CG-CE2 4.49Å; F427-F521 PolarHBondContact N-O 3.34Å; F427-F521 PolarHBondContact O-N 2.7Å; R429-F521 HydrophobicContact CG-CE1 3.99Å; F521-A555 HydrophobicContact CZ-CB 4.48Å; F521-W562 HydrophobicContact CD2-CZ3 4.3Å; F521-W562 HydrophobicContact CE1-CZ3 4.28Å; F521-W562 AromaticContact CE2-CH2 3.81Å; F521-W562 HydrophobicContact CE2-CH2 3.81Å; F521-W562 AromaticContact CE2-CZ3 3.71Å; F521-W562 HydrophobicContact CE2-CZ3 3.71Å; F521-W562 AromaticContact CZ-CH2 3.86Å; F521-W562 HydrophobicContact CZ-CH2 3.86Å; F521-W562 AromaticContact CZ-CZ3 3.7Å; F521-W562 HydrophobicContact CZ-CZ3 3.7Å; F521-V566 HydrophobicContact CB-CB 3.89Å; F521-V566 HydrophobicContact CB-CG1 3.9Å; F521-V566 HydrophobicContact CB-CG2 3.81Å; F521-V566 HydrophobicContact CG-CG2 4.38Å; F521-V571 HydrophobicContact CD2-CG2 4.49Å; F521-L573 HydrophobicContact CE2-CD1 3.99Å; F521-L573 HydrophobicContact CE2-CD2 4.34Å
522V92.6Very high88.3Confident3 Ų342.6 Ų42.62%0.01822%0.224CC..EExtended strand (participates in β ladder)trans-87.8139.1164.6-162.90000107.6L420 E424 I425 T426 F491 T568 P570 V571L420-V522 HydrophobicContact CD1-CG1 4.03Å; E424-V522 HydrophobicContact CG-CG1 3.76Å; I425-V522 CarbonylContact O-C 3.45Å; I425-V522 WeakPolarHBondContact O-CA 3.35Å; T426-V522 HydrophobicContact CG2-CG2 4.35Å; F491-V522 HydrophobicContact CE2-CG2 4.49Å; V522-T568 WeakPolarHBondContact CG2-O 3.48Å; V522-P570 HydrophobicContact CB-CB 4.32Å; V522-P570 HydrophobicContact CB-CG 4.15Å; V522-P570 HydrophobicContact CG1-CB 4.06Å; V522-P570 HydrophobicContact CG1-CG 3.75Å; V522-P570 WeakPolarHBondContact O-CA 3.07Å; V522-V571 PolarHBondContact O-N 2.86Å
523G92.7Very high87.7Confident0 Ų037.6 Ų37.60%021%0.205CC..EExtended strand (participates in β ladder)trans-135.1145.5177.800000111.6I425 V571I425-G523 PolarHBondContact N-O 3.32Å; I425-G523 PolarHBondContact O-N 3.07Å; G523-V571 CarbonylContact C-O 3.59Å; G523-V571 WeakPolarHBondContact CA-O 3.46Å
524K93.6Very high86.7Confident59 Ų5941 Ų4126%0.25722%0.223SC..EExtended strand (participates in β ladder)trans-119112.8-173.5-179.3172.7-179159.90110.4D423 L526 R530 P570 V571 L573D423-K524 CarbonylContact O-C 3.59Å; D423-K524 VanDerWaalsContact O-CA 3.25Å; D423-K524 WeakPolarHBondContact O-CA 3.48Å; D423-K524 VanDerWaalsContact OD2-CE 3.25Å; D423-K524 WeakPolarHBondContact OD2-CE 3.43Å; K524-L526 PolarHBondContact O-N 3.43Å; K524-L526 VanDerWaalsContact O-N 3.15Å; K524-R530 VanDerWaalsContact CE-NH2 3.34Å; K524-P570 HydrophobicContact CB-CB 3.85Å; K524-V571 PolarHBondContact N-O 2.71Å; K524-L573 PolarHBondContact O-N 2.88Å
525M93.8Very high86.2Confident2 Ų241 Ų411%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-71107.8-177.5-71.4-176-63.700111.6F419 A422 D423 I425 G527 V528 L575 N587 V590F419-M525 HydrophobicContact CE1-CE 4.3Å; A422-M525 WeakPolarHBondContact O-CE 3.4Å; D423-M525 PolarHBondContact O-N 3.13Å; I425-M525 HydrophobicContact CD1-CE 3.45Å; I425-M525 VanDerWaalsContact CD1-CE 3.45Å; I425-M525 HydrophobicContact CD1-CG 4.46Å; I425-M525 HydrophobicContact CD1-SD 3.84Å; I425-M525 HydrophobicContact CG1-CE 4.28Å; M525-G527 PolarHBondContact O-N 3.45Å; M525-V528 HydrophobicContact CB-CB 4.24Å; M525-V528 HydrophobicContact CB-CG2 3.67Å; M525-V528 HydrophobicContact CE-CG2 4.21Å; M525-V528 PolarHBondContact O-N 2.81Å; M525-V528 HydrophobicContact SD-CG2 4.49Å; M525-L575 HydrophobicContact CG-CD1 3.9Å; M525-L575 HydrophobicContact CG-CG 4.17Å; M525-L575 HydrophobicContact SD-CD1 3.71Å; M525-L575 HydrophobicContact SD-CG 4.43Å; M525-N587 HydrophobicContact CB-CB 4.4Å; M525-V590 HydrophobicContact CE-CB 4.16Å; M525-V590 HydrophobicContact CE-CG1 3.84Å; M525-V590 HydrophobicContact CE-CG2 3.97Å; M525-V590 HydrophobicContact SD-CB 4.45Å; M525-V590 HydrophobicContact SD-CG2 3.93Å
526L93Very high86.1Confident68 Ų6836.7 Ų36.736%0.35621%0.211SC..THydrogen-bonded Turntrans-55.3131.4173.6-69.8176.2000111.3K524 N572 L573 Q574 N587K524-L526 PolarHBondContact O-N 3.43Å; K524-L526 VanDerWaalsContact O-N 3.15Å; L526-N572 HydrophobicContact CD1-CB 4.23Å; L526-N572 HydrophobicContact CD2-CB 3.95Å; L526-N572 HydrophobicContact CG-CB 4.13Å; L526-L573 PolarHBondContact N-O 3.34Å; L526-Q574 HydrophobicContact CD1-CG 4.25Å; L526-N587 PolarHBondContact N-ND2 2.93Å; L526-N587 VanDerWaalsContact N-ND2 3.12Å; L526-N587 PolarHBondContact O-ND2 3.2Å
527G90.5Very high86.1Confident57 Ų5736.2 Ų36.259%0.58821%0.206SC*.THydrogen-bonded Turntrans87.6-9.7177.500000115.9M525 K591M525-G527 PolarHBondContact O-N 3.45Å; G527-K591 WeakPolarHBondContact O-CD 3.42Å
528V91.1Very high86Confident9 Ų938 Ų386%0.05522%0.215CC..PPolyproline II helixtrans-87.4122.9172.5-171.50000109.4A422 D423 M525 N587 V590 K591A422-V528 WeakPolarHBondContact O-CG1 3.44Å; D423-V528 HydrophobicContact CB-CB 4.02Å; D423-V528 HydrophobicContact CB-CG1 4.24Å; D423-V528 WeakPolarHBondContact CB-O 3.45Å; M525-V528 HydrophobicContact CB-CB 4.24Å; M525-V528 HydrophobicContact CB-CG2 3.67Å; M525-V528 HydrophobicContact CE-CG2 4.21Å; M525-V528 PolarHBondContact O-N 2.81Å; M525-V528 HydrophobicContact SD-CG2 4.49Å; V528-N587 HydrophobicContact CG2-CB 4.14Å; V528-N587 WeakPolarHBondContact CG2-O 3.43Å; V528-V590 HydrophobicContact CG1-CG1 4.07Å; V528-V590 HydrophobicContact CG2-CB 4.35Å; V528-V590 HydrophobicContact CG2-CG1 4.48Å; V528-K591 HydrophobicContact CG2-CB 4.38Å
529P80.5Confident85.9Confident58 Ų5840 Ų4038%0.37723%0.229SC..PPolyproline II helixtrans-77.5134.1178.3-15.531.2000112.7L532P529-L532 HydrophobicContact CB-CB 4.23Å; P529-L532 HydrophobicContact CB-CD2 4.47Å; P529-L532 HydrophobicContact CG-CD2 3.99Å; P529-L532 VanDerWaalsContact O-CB 3.27Å; P529-L532 WeakPolarHBondContact O-CB 3.47Å; P529-L532 PolarHBondContact O-N 2.92Å
530R75.1Confident85.8Confident59 Ų5939.4 Ų39.422%0.22323%0.227CC..THydrogen-bonded Turntrans-54.4142.5171.1-74.4-177-177.5-117.6-39.7111.8D423 E424 K524 L532D423-R530 HydrophobicContact CB-CG 4.46Å; D423-R530 VanDerWaalsContact CG-CG 3.41Å; D423-R530 VanDerWaalsContact CG-NH2 3.31Å; D423-R530 VanDerWaalsContact OD1-CG 3.27Å; D423-R530 WeakPolarHBondContact OD1-CG 3.39Å; D423-R530 IonicContact OD1-CZ 2.65Å; D423-R530 IonicContact OD1-NE 3.26Å; D423-R530 PolarHBondContact OD1-NE 3.12Å; D423-R530 IonicContact OD1-NH2 3.64Å; D423-R530 PolarHBondContact OD1-NH2 3.22Å; D423-R530 VanDerWaalsContact OD2-CG 3.27Å; D423-R530 WeakPolarHBondContact OD2-CG 3.49Å; D423-R530 IonicContact OD2-CZ 2.73Å; D423-R530 VanDerWaalsContact OD2-CZ 3.26Å; D423-R530 IonicContact OD2-NE 2.67Å; D423-R530 PolarHBondContact OD2-NE 3.14Å; D423-R530 IonicContact OD2-NH2 2.73Å; D423-R530 PolarHBondContact OD2-NH2 3.2Å; E424-R530 IonicContact OE2-CZ 3.84Å; E424-R530 VanDerWaalsContact OE2-CZ 3.28Å; E424-R530 IonicContact OE2-NH1 2.79Å; E424-R530 PolarHBondContact OE2-NH1 3.04Å; E424-R530 IonicContact OE2-NH2 2.79Å; E424-R530 PolarHBondContact OE2-NH2 2.85Å; K524-R530 VanDerWaalsContact CE-NH2 3.34Å; R530-L532 PolarHBondContact O-N 3.14Å; R530-L532 VanDerWaalsContact O-N 3.14Å
531N69.3Low85.7Confident119 Ų11939.8 Ų39.864%0.63623%0.23SC*.THydrogen-bonded Turntrans57.318179.4-52.1-104.1000114.8D421 W533D421-N531 PolarHBondContact OD1-N 3.27Å; N531-W533 VanDerWaalsContact C-N 3.32Å
532L73.4Confident85.6Confident34 Ų3444.1 Ų44.118%0.17825%0.254CS..  trans-74.2-25.7174.2-171.167.1000112.1P529 R530 C594 M595 V598P529-L532 HydrophobicContact CB-CB 4.23Å; P529-L532 HydrophobicContact CB-CD2 4.47Å; P529-L532 HydrophobicContact CG-CD2 3.99Å; P529-L532 VanDerWaalsContact O-CB 3.27Å; P529-L532 WeakPolarHBondContact O-CB 3.47Å; P529-L532 PolarHBondContact O-N 2.92Å; R530-L532 PolarHBondContact O-N 3.14Å; R530-L532 VanDerWaalsContact O-N 3.14Å; L532-C594 HydrophobicContact CB-CB 4.08Å; L532-C594 HydrophobicContact CD2-CB 3.6Å; L532-C594 HydrophobicContact CG-CB 3.66Å; L532-M595 HydrophobicContact CD1-SD 3.94Å; L532-M595 HydrophobicContact CD2-CG 4.14Å; L532-M595 HydrophobicContact CD2-SD 3.82Å; L532-M595 HydrophobicContact CG-SD 4.38Å; L532-V598 HydrophobicContact CD1-CG2 4.08Å; L532-V598 HydrophobicContact CG-CG2 4.49Å; L532-V598 WeakPolarHBondContact O-CG2 3.24Å
533W79.5Confident85.6Confident26 Ų2646.9 Ų46.910%0.09826%0.264CS..  trans-78.3129173.1-171.6-111.2000110.7A422 N531 G535 S536 S539 L540 K593 C594 M597A422-W533 HydrophobicContact CB-CB 3.82Å; N531-W533 VanDerWaalsContact C-N 3.32Å; W533-G535 VanDerWaalsContact NE1-C 3.28Å; W533-G535 PolarHBondContact NE1-O 2.87Å; W533-S536 PolarHBondContact NE1-O 2.98Å; W533-S539 WeakPolarHBondContact CZ2-OG 3.44Å; W533-L540 HydrophobicContact CB-CD2 4.39Å; W533-L540 HydrophobicContact CD2-CB 4.07Å; W533-L540 HydrophobicContact CD2-CD1 4.15Å; W533-L540 HydrophobicContact CD2-CD2 4.17Å; W533-L540 HydrophobicContact CD2-CG 4.37Å; W533-L540 HydrophobicContact CE3-CD1 3.88Å; W533-L540 HydrophobicContact CG-CB 4.45Å; W533-L540 HydrophobicContact CG-CD2 4.13Å; W533-L540 HydrophobicContact CH2-CB 4.42Å; W533-L540 HydrophobicContact CH2-CD1 4.04Å; W533-L540 HydrophobicContact CZ2-CB 3.85Å; W533-L540 HydrophobicContact CZ2-CD1 4.31Å; W533-L540 HydrophobicContact CZ3-CD1 3.83Å; W533-K593 HydrophobicContact CZ3-CG 4.11Å; W533-C594 HydrophobicContact CE3-CB 4.23Å; W533-M597 HydrophobicContact CD2-CE 3.84Å; W533-M597 HydrophobicContact CE3-CE 3.8Å; W533-M597 HydrophobicContact CE3-CG 4.35Å; W533-M597 HydrophobicContact CH2-CE 3.37Å; W533-M597 HydrophobicContact CH2-CG 3.9Å; W533-M597 HydrophobicContact CH2-SD 3.43Å; W533-M597 WeakPolarHBondContact CH2-SD 3.37Å; W533-M597 HydrophobicContact CZ2-CE 3.38Å; W533-M597 HydrophobicContact CZ2-SD 3.96Å; W533-M597 HydrophobicContact CZ3-CB 4.42Å; W533-M597 HydrophobicContact CZ3-CE 3.58Å; W533-M597 HydrophobicContact CZ3-CG 3.61Å; W533-M597 HydrophobicContact CZ3-SD 3.78Å
534N73.5Confident85.7Confident71 Ų7147 Ų4738%0.3826%0.264SS..  trans-118.315.8-179.870.7-26.8000113.8M597 T601N534-M597 WeakPolarHBondContact OD1-CB 3.34Å; N534-M597 WeakPolarHBondContact OD1-CE 3.45Å; N534-T601 PolarHBondContact ND2-OG1 2.8Å
535G79.2Confident85.5Confident19 Ų1948.9 Ų48.920%0.19627%0.272CS..SBendtrans-106-171.6167.700000112W533W533-G535 VanDerWaalsContact NE1-C 3.28Å; W533-G535 PolarHBondContact NE1-O 2.87Å
536S84.4Confident85.4Confident52 Ų5255.4 Ų55.436%0.36430%0.301SS..  trans-67.3139.7171.665.90000110.6W533 E538 S539 L540W533-S536 PolarHBondContact NE1-O 2.98Å; S536-E538 WeakPolarHBondContact CB-OE2 3.4Å; S536-E538 PolarHBondContact O-N 3.13Å; S536-S539 PolarHBondContact O-N 3.16Å; S536-S539 PolarHBondContact O-OG 3.28Å; S536-S539 WeakPolarHBondContact OG-CB 3.37Å; S536-S539 PolarHBondContact OG-N 3.42Å; S536-S539 PolarHBondContact OG-OG 2.9Å; S536-L540 PolarHBondContact O-N 3.08Å
537I87.1Confident85.3Confident33 Ų3353.5 Ų53.517%0.16929%0.29CS..Hα-helixtrans-66.7-26.2-177.9-166.461.2000111.7F419 S539 L540 G541F419-I537 HydrophobicContact CB-CD1 3.88Å; F419-I537 HydrophobicContact CB-CG1 3.6Å; F419-I537 HydrophobicContact CD1-CD1 4.17Å; F419-I537 HydrophobicContact CG-CD1 4.46Å; I537-S539 PolarHBondContact O-N 3.22Å; I537-L540 HydrophobicContact CD1-CB 4.48Å; I537-L540 HydrophobicContact CD1-CD2 4.06Å; I537-L540 PolarHBondContact O-N 3.05Å; I537-G541 PolarHBondContact O-N 3.3Å
538E87.7Confident85.3Confident104 Ų10451.7 Ų51.749%0.48627%0.268SS..Hα-helixtrans-58-44.7170.3-65.566.5-146.800111.4S536 L540 G541 D542S536-E538 WeakPolarHBondContact CB-OE2 3.4Å; S536-E538 PolarHBondContact O-N 3.13Å; E538-L540 VanDerWaalsContact C-N 3.34Å; E538-L540 PolarHBondContact O-N 3.04Å; E538-G541 CarbonylContact O-C 3.46Å; E538-G541 PolarHBondContact O-N 3.19Å; E538-G541 VanDerWaalsContact O-N 3.14Å; E538-D542 PolarHBondContact O-N 2.65Å
539S88.3Confident85.1Confident51 Ų5156.9 Ų56.936%0.35730%0.295SS..Hα-helixtrans-69.8-28.8-178.966.60000113.5W533 S536 I537 W543W533-S539 WeakPolarHBondContact CZ2-OG 3.44Å; S536-S539 PolarHBondContact O-N 3.16Å; S536-S539 PolarHBondContact O-OG 3.28Å; S536-S539 WeakPolarHBondContact OG-CB 3.37Å; S536-S539 PolarHBondContact OG-N 3.42Å; S536-S539 PolarHBondContact OG-OG 2.9Å; I537-S539 PolarHBondContact O-N 3.22Å; S539-W543 WeakPolarHBondContact O-CB 3.46Å; S539-W543 PolarHBondContact O-N 3.08Å; S539-W543 VanDerWaalsContact O-N 3.1Å
540L90.4Very high85.2Confident0 Ų064.1 Ų64.10%032%0.321CS..Hα-helixtrans-69-44.4168.6-173.662.3000110.8F419 A422 W533 S536 I537 E538 D542 W543 F544 V590 K593F419-L540 HydrophobicContact CD1-CD2 3.84Å; F419-L540 HydrophobicContact CD1-CG 4.19Å; F419-L540 HydrophobicContact CE1-CD2 3.72Å; F419-L540 HydrophobicContact CE1-CG 3.87Å; F419-L540 HydrophobicContact CZ-CG 4.44Å; A422-L540 HydrophobicContact CB-CD2 4.14Å; W533-L540 HydrophobicContact CB-CD2 4.39Å; W533-L540 HydrophobicContact CD2-CB 4.07Å; W533-L540 HydrophobicContact CD2-CD1 4.15Å; W533-L540 HydrophobicContact CD2-CD2 4.17Å; W533-L540 HydrophobicContact CD2-CG 4.37Å; W533-L540 HydrophobicContact CE3-CD1 3.88Å; W533-L540 HydrophobicContact CG-CB 4.45Å; W533-L540 HydrophobicContact CG-CD2 4.13Å; W533-L540 HydrophobicContact CH2-CB 4.42Å; W533-L540 HydrophobicContact CH2-CD1 4.04Å; W533-L540 HydrophobicContact CZ2-CB 3.85Å; W533-L540 HydrophobicContact CZ2-CD1 4.31Å; W533-L540 HydrophobicContact CZ3-CD1 3.83Å; S536-L540 PolarHBondContact O-N 3.08Å; I537-L540 HydrophobicContact CD1-CB 4.48Å; I537-L540 HydrophobicContact CD1-CD2 4.06Å; I537-L540 PolarHBondContact O-N 3.05Å; E538-L540 VanDerWaalsContact C-N 3.34Å; E538-L540 PolarHBondContact O-N 3.04Å; L540-D542 PolarHBondContact O-N 2.86Å; L540-W543 HydrophobicContact CD1-CE3 3.81Å; L540-W543 HydrophobicContact CD1-CZ3 4.12Å; L540-W543 PolarHBondContact O-N 3.49Å; L540-F544 WeakPolarHBondContact O-CB 3.27Å; L540-F544 PolarHBondContact O-N 3.14Å; L540-V590 HydrophobicContact CD1-CG1 4.47Å; L540-V590 HydrophobicContact CD2-CG1 4.32Å; L540-K593 HydrophobicContact CD1-CG 4.44Å
541G91.3Very high85.8Confident7 Ų765.5 Ų65.57%0.07233%0.326CS..Hα-helixtrans-61.2-4117700000113.4I537 E538 F544 K545I537-G541 PolarHBondContact O-N 3.3Å; E538-G541 CarbonylContact O-C 3.46Å; E538-G541 PolarHBondContact O-N 3.19Å; E538-G541 VanDerWaalsContact O-N 3.14Å; G541-F544 PolarHBondContact O-N 3.23Å; G541-K545 WeakPolarHBondContact O-CB 3.33Å; G541-K545 VanDerWaalsContact O-CG 3.23Å; G541-K545 WeakPolarHBondContact O-CG 3.31Å; G541-K545 PolarHBondContact O-N 3.19Å
542D91.1Very high86.7Confident95 Ų9566.2 Ų66.251%0.50833%0.325SS..Hα-helixtrans-73.8-35.8178.4-70.2-19.1000112.2E538 L540 K545 K546E538-D542 PolarHBondContact O-N 2.65Å; L540-D542 PolarHBondContact O-N 2.86Å; D542-K545 IonicContact OD1-NZ 2.65Å; D542-K546 VanDerWaalsContact O-CB 3.3Å; D542-K546 WeakPolarHBondContact O-CB 3.37Å; D542-K546 PolarHBondContact O-N 3.04Å
543W93.2Very high87.6Confident61 Ų6164.9 Ų64.923%0.23132%0.318CS..Hα-helixtrans-60.4-46.3167.7166.581.2000111.4S539 L540 K546 M547 M589 V590 K593S539-W543 WeakPolarHBondContact O-CB 3.46Å; S539-W543 PolarHBondContact O-N 3.08Å; S539-W543 VanDerWaalsContact O-N 3.1Å; L540-W543 HydrophobicContact CD1-CE3 3.81Å; L540-W543 HydrophobicContact CD1-CZ3 4.12Å; L540-W543 PolarHBondContact O-N 3.49Å; W543-K546 PolarHBondContact O-N 3.09Å; W543-M547 PolarHBondContact O-N 2.9Å; W543-M589 HydrophobicContact CH2-CB 4.18Å; W543-M589 WeakPolarHBondContact CH2-O 3.25Å; W543-V590 HydrophobicContact CZ3-CG2 4.09Å; W543-K593 HydrophobicContact CD2-CD 4.15Å; W543-K593 HydrophobicContact CD2-CG 3.78Å; W543-K593 HydrophobicContact CE3-CB 4.44Å; W543-K593 HydrophobicContact CE3-CG 3.98Å; W543-K593 HydrophobicContact CG-CD 4.43Å; W543-K593 HydrophobicContact CG-CG 4.39Å; W543-K593 HydrophobicContact CH2-CB 3.69Å; W543-K593 HydrophobicContact CH2-CG 4.03Å; W543-K593 HydrophobicContact CZ2-CB 3.77Å; W543-K593 HydrophobicContact CZ2-CD 4.06Å; W543-K593 HydrophobicContact CZ2-CG 3.83Å; W543-K593 HydrophobicContact CZ3-CB 4.04Å; W543-K593 HydrophobicContact CZ3-CG 4.1Å
544F93.2Very high88.3Confident3 Ų364.6 Ų64.61%0.01332%0.32CS..Hα-helixtrans-63.4-48.1-179.9-170.6-81.6000111.4V416 F419 L540 G541 K546 M547 T548 L575 L586 V590V416-F544 HydrophobicContact CG2-CD1 4.06Å; V416-F544 HydrophobicContact CG2-CE1 3.53Å; V416-F544 HydrophobicContact CG2-CZ 4.37Å; F419-F544 HydrophobicContact CE2-CB 3.77Å; F419-F544 HydrophobicContact CE2-CD1 4.18Å; F419-F544 HydrophobicContact CE2-CD2 4.31Å; F419-F544 AromaticContact CE2-CG 3.84Å; F419-F544 HydrophobicContact CE2-CG 3.84Å; F419-F544 HydrophobicContact CZ-CB 3.76Å; F419-F544 HydrophobicContact CZ-CD1 4.38Å; F419-F544 AromaticContact CZ-CD2 3.71Å; F419-F544 HydrophobicContact CZ-CD2 3.71Å; F419-F544 HydrophobicContact CZ-CE2 4.35Å; F419-F544 AromaticContact CZ-CG 3.7Å; F419-F544 HydrophobicContact CZ-CG 3.7Å; L540-F544 WeakPolarHBondContact O-CB 3.27Å; L540-F544 PolarHBondContact O-N 3.14Å; G541-F544 PolarHBondContact O-N 3.23Å; F544-K546 VanDerWaalsContact C-N 3.27Å; F544-K546 PolarHBondContact O-N 3.5Å; F544-M547 WeakPolarHBondContact O-CB 3.37Å; F544-M547 PolarHBondContact O-N 2.86Å; F544-M547 VanDerWaalsContact O-N 3.08Å; F544-T548 HydrophobicContact CD1-CG2 4Å; F544-T548 HydrophobicContact CE1-CG2 3.62Å; F544-T548 HydrophobicContact CZ-CG2 4.06Å; F544-T548 PolarHBondContact O-N 3.12Å; F544-T548 PolarHBondContact O-OG1 2.94Å; F544-L575 HydrophobicContact CZ-CD1 4.24Å; F544-L586 HydrophobicContact CE1-CD1 4.36Å; F544-L586 HydrophobicContact CE2-CB 4.2Å; F544-L586 HydrophobicContact CE2-CD1 4.03Å; F544-L586 HydrophobicContact CZ-CB 4.44Å; F544-L586 HydrophobicContact CZ-CD1 3.54Å; F544-V590 HydrophobicContact CD2-CG2 3.74Å; F544-V590 HydrophobicContact CE2-CG2 3.77Å
545K91Very high89.3Confident98 Ų9861.2 Ų61.243%0.42630%0.302SS..Hα-helixtrans-56.9-38.8174.4-74.5167.8-175.3170.30112.3G541 D542 L549G541-K545 WeakPolarHBondContact O-CB 3.33Å; G541-K545 VanDerWaalsContact O-CG 3.23Å; G541-K545 WeakPolarHBondContact O-CG 3.31Å; G541-K545 PolarHBondContact O-N 3.19Å; D542-K545 IonicContact OD1-NZ 2.65Å; K545-L549 WeakPolarHBondContact O-CA 3.37Å; K545-L549 WeakPolarHBondContact O-CB 3.39Å; K545-L549 PolarHBondContact O-N 2.91Å
546K91.1Very high90Very high140 Ų14061.1 Ų61.161%0.60930%0.297SS*.Hα-helixtrans-68.8-36.4176-175.5175.1178.8177.70112.2D542 W543 F544D542-K546 VanDerWaalsContact O-CB 3.3Å; D542-K546 WeakPolarHBondContact O-CB 3.37Å; D542-K546 PolarHBondContact O-N 3.04Å; W543-K546 PolarHBondContact O-N 3.09Å; F544-K546 VanDerWaalsContact C-N 3.27Å; F544-K546 PolarHBondContact O-N 3.5Å
547M89.5Confident90.3Very high27 Ų2759 Ų5913%0.13328%0.282CS..Hα-helixtrans-71.4-36.7177.7-170.466.8-146.200112.6L387 W543 F544 M577 M589L387-M547 HydrophobicContact CD2-SD 4.41Å; W543-M547 PolarHBondContact O-N 2.9Å; F544-M547 WeakPolarHBondContact O-CB 3.37Å; F544-M547 PolarHBondContact O-N 2.86Å; F544-M547 VanDerWaalsContact O-N 3.08Å; M547-M577 HydrophobicContact CE-CE 4.02Å; M547-M589 HydrophobicContact CE-CE 3.75Å; M547-M589 HydrophobicContact CE-SD 4.22Å; M547-M589 HydrophobicContact CG-CE 4.28Å; M547-M589 HydrophobicContact SD-CE 3.97Å
548T90.9Very high90.1Very high19 Ų1961.4 Ų61.412%0.11730%0.301CS..SBendtrans-94.13.3-179.658.70000113.9F544 K550 R551 V553 M577 L586F544-T548 HydrophobicContact CD1-CG2 4Å; F544-T548 HydrophobicContact CE1-CG2 3.62Å; F544-T548 HydrophobicContact CZ-CG2 4.06Å; F544-T548 PolarHBondContact O-N 3.12Å; F544-T548 PolarHBondContact O-OG1 2.94Å; T548-K550 PolarHBondContact O-N 2.87Å; T548-R551 WeakPolarHBondContact O-CB 3.46Å; T548-R551 PolarHBondContact O-N 3.23Å; T548-V553 HydrophobicContact CG2-CG2 3.65Å; T548-M577 HydrophobicContact CG2-SD 4.09Å; T548-L586 HydrophobicContact CG2-CD1 3.78Å; T548-L586 HydrophobicContact CG2-CD2 4.49Å
549L87.3Confident89.9Confident118 Ų11863.9 Ų63.962%0.61831%0.312SS*.THydrogen-bonded Turntrans-57.4125.8-176.1-170.962.5000112.2K545 R551K545-L549 WeakPolarHBondContact O-CA 3.37Å; K545-L549 WeakPolarHBondContact O-CB 3.39Å; K545-L549 PolarHBondContact O-N 2.91Å; L549-R551 PolarHBondContact O-N 3Å
550K83.4Confident89.6Confident211 Ų21163.8 Ų63.892%0.91731%0.306SS*.THydrogen-bonded Turntrans60.921.4-174.8-55.7179.4-177.8-176.90114.9T548T548-K550 PolarHBondContact O-N 2.87Å
551R87.8Confident89.3Confident87 Ų8768.3 Ų68.333%0.32833%0.33SS..SBendtrans-120.8143.3178.3-58171.8177.9-155.3-10.2109.9T548 L549 M577 E579T548-R551 WeakPolarHBondContact O-CB 3.46Å; T548-R551 PolarHBondContact O-N 3.23Å; L549-R551 PolarHBondContact O-N 3Å; R551-M577 HydrophobicContact CB-CG 3.99Å; R551-M577 HydrophobicContact CB-SD 4.14Å; R551-M577 WeakPolarHBondContact CD-SD 3.09Å; R551-M577 HydrophobicContact CG-SD 4.38Å; R551-E579 IonicContact CZ-OE1 3.47Å; R551-E579 IonicContact CZ-OE2 2.81Å; R551-E579 IonicContact NH1-OE1 3.21Å; R551-E579 PolarHBondContact NH1-OE1 3.48Å; R551-E579 IonicContact NH1-OE2 3.06Å; R551-E579 PolarHBondContact NH1-OE2 3.35Å; R551-E579 VanDerWaalsContact NH2-CD 3.26Å; R551-E579 IonicContact NH2-OE1 3.39Å; R551-E579 PolarHBondContact NH2-OE1 2.84Å; R551-E579 IonicContact NH2-OE2 3.28Å
552Q87.9Confident89Confident134 Ų13469.2 Ų69.263%0.62633%0.331SS*.  trans-75134.6170.8-69.6-178.61.300109.6I413I413-Q552 HydrophobicContact CG2-CB 4.45Å; I413-Q552 HydrophobicContact CG2-CG 4.44Å
553V93Very high88.3Confident6 Ų669 Ų694%0.03634%0.337CS..EExtended strand (participates in β ladder)trans-108.8134.1169.4-175.40000107.7I413 I414 T548 L575 Y576 L586I413-V553 WeakPolarHBondContact CA-O 3.33Å; I414-V553 HydrophobicContact CD1-CB 4.32Å; I414-V553 HydrophobicContact CD1-CG1 3.74Å; I414-V553 HydrophobicContact CG1-CB 4.05Å; I414-V553 HydrophobicContact CG1-CG1 3.94Å; I414-V553 WeakPolarHBondContact CG1-O 3.34Å; I414-V553 PolarHBondContact N-O 2.75Å; T548-V553 HydrophobicContact CG2-CG2 3.65Å; V553-L575 HydrophobicContact CG1-CB 4.46Å; V553-Y576 CarbonylContact C-O 3.59Å; V553-Y576 WeakPolarHBondContact CA-O 3.27Å; V553-L586 HydrophobicContact CG1-CD1 3.67Å; V553-L586 HydrophobicContact CG2-CD1 4.01Å
554V93.7Very high87.4Confident21 Ų2169 Ų6913%0.12735%0.346CS..EExtended strand (participates in β ladder)trans-113.4127.6176.7-176.40000108.7F408 V412 V556 L575 Y576F408-V554 HydrophobicContact CD1-CB 4.29Å; F408-V554 HydrophobicContact CD1-CG1 4.06Å; F408-V554 HydrophobicContact CD1-CG2 4.21Å; F408-V554 HydrophobicContact CE1-CB 4.12Å; F408-V554 HydrophobicContact CE1-CG1 4.33Å; F408-V554 HydrophobicContact CE1-CG2 4.15Å; V412-V554 CarbonylContact O-C 3.51Å; V412-V554 WeakPolarHBondContact O-CA 3.23Å; V554-V556 HydrophobicContact CG1-CG2 4.28Å; V554-L575 WeakPolarHBondContact O-CA 3.37Å; V554-Y576 PolarHBondContact N-O 3.19Å; V554-Y576 PolarHBondContact O-N 3.28Å
555A93.9Very high86.4Confident0 Ų073.8 Ų73.80%036%0.364CS..EExtended strand (participates in β ladder)trans-91.8126.1168.100000109.6G411 V412 I414 F521 W562 L573 L575G411-A555 WeakPolarHBondContact CA-O 3.32Å; V412-A555 HydrophobicContact CG2-CB 4.07Å; V412-A555 PolarHBondContact N-O 3.2Å; V412-A555 PolarHBondContact O-N 3.38Å; I414-A555 HydrophobicContact CD1-CB 4.01Å; I414-A555 HydrophobicContact CG1-CB 4.21Å; I414-A555 HydrophobicContact CG2-CB 4.06Å; F521-A555 HydrophobicContact CZ-CB 4.48Å; A555-W562 HydrophobicContact CB-CH2 4.17Å; A555-W562 HydrophobicContact CB-CZ2 4.34Å; A555-W562 WeakPolarHBondContact O-CZ2 3.46Å; A555-L573 HydrophobicContact CB-CD1 4.1Å; A555-L573 HydrophobicContact CB-CD2 4.32Å; A555-L575 HydrophobicContact CB-CD2 3.78Å
556V93.1Very high85.5Confident16 Ų1669.7 Ų69.710%0.09735%0.348CS..EExtended strand (participates in β ladder)trans-113130.3171.7179.90000107.9V554 L573 Q574 Y576V554-V556 HydrophobicContact CG1-CG2 4.28Å; V556-L573 WeakPolarHBondContact O-CA 3.33Å; V556-Q574 PolarHBondContact N-O 2.98Å; V556-Q574 PolarHBondContact O-N 3.45Å; V556-Y576 HydrophobicContact CB-CD2 4.47Å; V556-Y576 HydrophobicContact CB-CE2 4.39Å; V556-Y576 HydrophobicContact CG2-CD2 3.99Å; V556-Y576 HydrophobicContact CG2-CE2 4.25Å
557A91.1Very high84.5Confident7 Ų764.4 Ų64.46%0.05833%0.332CS..  trans-124.591.6-176.800000110.2E559 H560 W562 V571 L573A557-E559 PolarHBondContact O-N 3.23Å; A557-H560 HydrophobicContact CB-CB 3.81Å; A557-H560 PolarHBondContact O-N 2.96Å; A557-W562 HydrophobicContact CB-CH2 3.88Å; A557-W562 HydrophobicContact CB-CZ2 3.47Å; A557-W562 VanDerWaalsContact CB-CZ2 3.47Å; A557-V571 HydrophobicContact CB-CG1 3.6Å; A557-L573 HydrophobicContact CB-CD2 3.83Å
558P82.9Confident83.7Confident85 Ų8563.5 Ų63.555%0.55233%0.328SS*.THydrogen-bonded Turntrans-61.9-19.5-169.3-26.135.5000115.8
559E82.9Confident83.3Confident155 Ų15565.1 Ų65.172%0.72434%0.337SS*.THydrogen-bonded Turntrans-109.65.6-174.8-58.7176.5143.100112.8A557 N572A557-E559 PolarHBondContact O-N 3.23Å; E559-N572 PolarHBondContact OE2-ND2 3.49Å
560H83Confident83.3Confident49 Ų4961 Ų6123%0.22732%0.317CS..  trans-130.2126.5-168.4-178.465.7000112.5A557 W562 V571A557-H560 HydrophobicContact CB-CB 3.81Å; A557-H560 PolarHBondContact O-N 2.96Å; H560-W562 AromaticContact CD2-CD2 3.98Å; H560-W562 AromaticContact CD2-CE3 3.64Å; H560-W562 AromaticContact NE2-CE3 3.91Å; H560-W562 PolarHBondContact O-N 2.8Å; H560-V571 HydrophobicContact CB-CG1 3.75Å
561D84Confident83.7Confident95 Ų9551.6 Ų51.651%0.50828%0.277SS..  trans-81.1110.9165.1170.723.2000109.7S563 S564D561-S563 VanDerWaalsContact CG-OG 3.29Å; D561-S563 PolarHBondContact O-N 3.37Å; D561-S563 VanDerWaalsContact O-N 3.1Å; D561-S563 VanDerWaalsContact OD1-CB 3.3Å; D561-S563 WeakPolarHBondContact OD1-CB 3.45Å; D561-S563 PolarHBondContact OD1-N 2.77Å; D561-S563 PolarHBondContact OD1-OG 3.27Å; D561-S563 WeakPolarHBondContact OD2-CB 3.37Å; D561-S563 PolarHBondContact OD2-OG 3.01Å; D561-S564 WeakPolarHBondContact O-CB 3.36Å; D561-S564 PolarHBondContact O-N 3.4Å
562W84Confident83.9Confident26 Ų2650.1 Ų50.110%0.09828%0.275CS..THydrogen-bonded Turntrans-57.3-21176.8-63.9114.1000114N410 V412 Q517 F521 A555 A557 H560 S564 L573N410-W562 PolarHBondContact O-NE1 2.89Å; V412-W562 HydrophobicContact CG1-CB 4.41Å; V412-W562 HydrophobicContact CG1-CD2 3.73Å; V412-W562 HydrophobicContact CG1-CE3 4.29Å; V412-W562 HydrophobicContact CG1-CG 3.78Å; V412-W562 HydrophobicContact CG1-CZ2 4.44Å; V412-W562 HydrophobicContact CG2-CD2 4.07Å; V412-W562 HydrophobicContact CG2-CE3 4.08Å; V412-W562 HydrophobicContact CG2-CH2 3.56Å; V412-W562 HydrophobicContact CG2-CZ2 3.54Å; V412-W562 HydrophobicContact CG2-CZ3 3.84Å; Q517-W562 PolarHBondContact NE2-O 3.21Å; F521-W562 HydrophobicContact CD2-CZ3 4.3Å; F521-W562 HydrophobicContact CE1-CZ3 4.28Å; F521-W562 AromaticContact CE2-CH2 3.81Å; F521-W562 HydrophobicContact CE2-CH2 3.81Å; F521-W562 AromaticContact CE2-CZ3 3.71Å; F521-W562 HydrophobicContact CE2-CZ3 3.71Å; F521-W562 AromaticContact CZ-CH2 3.86Å; F521-W562 HydrophobicContact CZ-CH2 3.86Å; F521-W562 AromaticContact CZ-CZ3 3.7Å; F521-W562 HydrophobicContact CZ-CZ3 3.7Å; A555-W562 HydrophobicContact CB-CH2 4.17Å; A555-W562 HydrophobicContact CB-CZ2 4.34Å; A555-W562 WeakPolarHBondContact O-CZ2 3.46Å; A557-W562 HydrophobicContact CB-CH2 3.88Å; A557-W562 HydrophobicContact CB-CZ2 3.47Å; A557-W562 VanDerWaalsContact CB-CZ2 3.47Å; H560-W562 AromaticContact CD2-CD2 3.98Å; H560-W562 AromaticContact CD2-CE3 3.64Å; H560-W562 AromaticContact NE2-CE3 3.91Å; H560-W562 PolarHBondContact O-N 2.8Å; W562-S564 PolarHBondContact O-N 2.94Å; W562-L573 HydrophobicContact CH2-CD2 3.8Å; W562-L573 HydrophobicContact CZ2-CD2 4.39Å
563S77.1Confident84.2Confident90 Ų9043.7 Ų43.763%0.62925%0.246SC*.THydrogen-bonded Turntrans-63.8-26176.393.80000112.5D561D561-S563 VanDerWaalsContact CG-OG 3.29Å; D561-S563 PolarHBondContact O-N 3.37Å; D561-S563 VanDerWaalsContact O-N 3.1Å; D561-S563 VanDerWaalsContact OD1-CB 3.3Å; D561-S563 WeakPolarHBondContact OD1-CB 3.45Å; D561-S563 PolarHBondContact OD1-N 2.77Å; D561-S563 PolarHBondContact OD1-OG 3.27Å; D561-S563 WeakPolarHBondContact OD2-CB 3.37Å; D561-S563 PolarHBondContact OD2-OG 3.01Å
564S75.4Confident84.2Confident61 Ų6146.3 Ų46.343%0.42726%0.257SS..SBendtrans-72.6145.8175.3-65.30000111.5D561 W562 V566D561-S564 WeakPolarHBondContact O-CB 3.36Å; D561-S564 PolarHBondContact O-N 3.4Å; W562-S564 PolarHBondContact O-N 2.94Å; S564-V566 PolarHBondContact O-N 3.34Å
565R70.9Confident84.3Confident105 Ų10545.3 Ų45.340%0.39625%0.251SS..PPolyproline II helixtrans-66.8127.1167.3-60.1-168.6-153.4137.713.9109.3A514A514-R565 PolarHBondContact O-NE 3.17Å; A514-R565 PolarHBondContact O-NH2 3.35Å
566V71.7Confident84.2Confident12 Ų1246.4 Ų46.47%0.07326%0.256CS..PPolyproline II helixtrans-67.8140.9165.3-166.10000108.5Y465 Q518 F521 S564 D569 V571Y465-V566 PolarHBondContact OH-O 2.88Å; Q518-V566 PolarHBondContact NE2-O 3.36Å; Q518-V566 PolarHBondContact OE1-O 2.96Å; Q518-V566 VanDerWaalsContact OE1-O 3.11Å; F521-V566 HydrophobicContact CB-CB 3.89Å; F521-V566 HydrophobicContact CB-CG1 3.9Å; F521-V566 HydrophobicContact CB-CG2 3.81Å; F521-V566 HydrophobicContact CG-CG2 4.38Å; S564-V566 PolarHBondContact O-N 3.34Å; V566-D569 WeakPolarHBondContact CG1-O 3.4Å; V566-V571 HydrophobicContact CB-CG2 4.42Å; V566-V571 HydrophobicContact CG1-CG2 3.5Å; V566-V571 HydrophobicContact CG2-CG2 3.98Å
567G71.3Confident84.2Confident28 Ų2845.7 Ų45.729%0.28925%0.251SS..  trans-71.7-155.216800000111.9D569G567-D569 PolarHBondContact O-N 3.2Å
568T71.6Confident83.8Confident8 Ų851.1 Ų51.15%0.04927%0.274CS..SBendtrans-73.91.9153.348.10000112.2I478 F491 V522I478-T568 HydrophobicContact CB-CG2 4.11Å; I478-T568 HydrophobicContact CD1-CG2 4.47Å; I478-T568 HydrophobicContact CG2-CG2 3.78Å; F491-T568 HydrophobicContact CB-CG2 4.2Å; V522-T568 WeakPolarHBondContact CG2-O 3.48Å
569D82.5Confident83.6Confident54 Ų5449.4 Ų49.429%0.28926%0.258SS..SBendtrans-86.6128.4-169.6-65.4-8.5000112A221 V566 G567 V571A221-D569 HydrophobicContact CB-CB 3.91Å; A221-D569 WeakPolarHBondContact CB-OD1 3.49Å; A221-D569 PolarHBondContact N-OD1 3.14Å; V566-D569 WeakPolarHBondContact CG1-O 3.4Å; G567-D569 PolarHBondContact O-N 3.2Å; D569-V571 PolarHBondContact O-N 3.33Å
570P88.8Confident83.4Confident31 Ų3152.8 Ų52.820%0.20126%0.264CS..PPolyproline II helixtrans-62.2121.3-177-22.729.8000113.7A221 E424 V522 K524A221-P570 HydrophobicContact CB-CG 4.37Å; E424-P570 HydrophobicContact CG-CB 4.41Å; E424-P570 HydrophobicContact CG-CG 4.06Å; V522-P570 HydrophobicContact CB-CB 4.32Å; V522-P570 HydrophobicContact CB-CG 4.15Å; V522-P570 HydrophobicContact CG1-CB 4.06Å; V522-P570 HydrophobicContact CG1-CG 3.75Å; V522-P570 WeakPolarHBondContact O-CA 3.07Å; K524-P570 HydrophobicContact CB-CB 3.85Å
571V91.2Very high83.1Confident13 Ų1352.6 Ų52.68%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-72.1137.4169.9-173.80000109.6F521 V522 G523 K524 A557 H560 V566 D569 L573F521-V571 HydrophobicContact CD2-CG2 4.49Å; V522-V571 PolarHBondContact O-N 2.86Å; G523-V571 CarbonylContact C-O 3.59Å; G523-V571 WeakPolarHBondContact CA-O 3.46Å; K524-V571 PolarHBondContact N-O 2.71Å; A557-V571 HydrophobicContact CB-CG1 3.6Å; H560-V571 HydrophobicContact CB-CG1 3.75Å; V566-V571 HydrophobicContact CB-CG2 4.42Å; V566-V571 HydrophobicContact CG1-CG2 3.5Å; V566-V571 HydrophobicContact CG2-CG2 3.98Å; D569-V571 PolarHBondContact O-N 3.33Å; V571-L573 HydrophobicContact CB-CD2 4.01Å; V571-L573 HydrophobicContact CG1-CD2 3.78Å; V571-L573 WeakPolarHBondContact O-CG 3.25Å; V571-L573 PolarHBondContact O-N 2.89Å
572N92.6Very high82.9Confident56 Ų5653.9 Ų53.930%0.29928%0.281SS..EExtended strand (participates in β ladder)trans-70.2115.7172-75.1-29.7000110.3L526 E559L526-N572 HydrophobicContact CD1-CB 4.23Å; L526-N572 HydrophobicContact CD2-CB 3.95Å; L526-N572 HydrophobicContact CG-CB 4.13Å; E559-N572 PolarHBondContact OE2-ND2 3.49Å
573L93.4Very high82.9Confident0 Ų053.7 Ų53.70%028%0.283CS..EExtended strand (participates in β ladder)trans-118146.6-173.3-57.4-173.8000114.1F427 F521 K524 L526 A555 V556 A557 W562 V571 L575 N587F427-L573 HydrophobicContact CD2-CD1 4.1Å; F427-L573 HydrophobicContact CE2-CD1 3.61Å; F427-L573 HydrophobicContact CZ-CD1 4.06Å; F521-L573 HydrophobicContact CE2-CD1 3.99Å; F521-L573 HydrophobicContact CE2-CD2 4.34Å; K524-L573 PolarHBondContact O-N 2.88Å; L526-L573 PolarHBondContact N-O 3.34Å; A555-L573 HydrophobicContact CB-CD1 4.1Å; A555-L573 HydrophobicContact CB-CD2 4.32Å; V556-L573 WeakPolarHBondContact O-CA 3.33Å; A557-L573 HydrophobicContact CB-CD2 3.83Å; W562-L573 HydrophobicContact CH2-CD2 3.8Å; W562-L573 HydrophobicContact CZ2-CD2 4.39Å; V571-L573 HydrophobicContact CB-CD2 4.01Å; V571-L573 HydrophobicContact CG1-CD2 3.78Å; V571-L573 WeakPolarHBondContact O-CG 3.25Å; V571-L573 PolarHBondContact O-N 2.89Å; L573-L575 HydrophobicContact CB-CD2 4.06Å; L573-L575 HydrophobicContact CD1-CD2 3.79Å; L573-N587 PolarHBondContact O-ND2 2.92Å
574Q93.6Very high83.5Confident60 Ų6051.1 Ų51.128%0.2826%0.263SS..EExtended strand (participates in β ladder)trans-109.3126.2152.2-65.5177.1-13.400108.5L526 V556 Y576L526-Q574 HydrophobicContact CD1-CG 4.25Å; V556-Q574 PolarHBondContact N-O 2.98Å; V556-Q574 PolarHBondContact O-N 3.45Å; Q574-Y576 HydrophobicContact CB-CD2 4.38Å; Q574-Y576 HydrophobicContact CB-CE2 3.6Å; Q574-Y576 PolarHBondContact OE1-OH 2.76Å; Q574-Y576 VanDerWaalsContact OE1-OH 3.14Å
575L94.7Very high84.3Confident0 Ų050.4 Ų50.40%025%0.254CS..EExtended strand (participates in β ladder)trans-101.9130.6179.8-58.4-172.2000110.5I414 F427 M525 F544 V553 V554 A555 L573 L586 N587I414-L575 HydrophobicContact CD1-CD2 3.88Å; F427-L575 HydrophobicContact CE1-CD1 3.96Å; F427-L575 HydrophobicContact CE1-CD2 4.41Å; F427-L575 HydrophobicContact CZ-CD1 3.84Å; F427-L575 HydrophobicContact CZ-CD2 4.27Å; M525-L575 HydrophobicContact CG-CD1 3.9Å; M525-L575 HydrophobicContact CG-CG 4.17Å; M525-L575 HydrophobicContact SD-CD1 3.71Å; M525-L575 HydrophobicContact SD-CG 4.43Å; F544-L575 HydrophobicContact CZ-CD1 4.24Å; V553-L575 HydrophobicContact CG1-CB 4.46Å; V554-L575 WeakPolarHBondContact O-CA 3.37Å; A555-L575 HydrophobicContact CB-CD2 3.78Å; L573-L575 HydrophobicContact CB-CD2 4.06Å; L573-L575 HydrophobicContact CD1-CD2 3.79Å; L575-L586 HydrophobicContact CB-CB 3.97Å; L575-L586 HydrophobicContact CB-CD1 4.38Å; L575-L586 PolarHBondContact O-N 2.84Å; L575-N587 WeakPolarHBondContact CB-OD1 3.42Å; L575-N587 PolarHBondContact N-OD1 3.36Å
576Y93.3Very high85.4Confident23 Ų2345.5 Ų45.59%0.0924%0.236CC..EExtended strand (participates in β ladder)trans-123.8147-179.6-67.9-83.8000111.7P406 F408 V553 V554 V556 Q574 N583 V584 N585P406-Y576 HydrophobicContact CB-CE1 4.35Å; P406-Y576 HydrophobicContact CB-CE2 4.23Å; P406-Y576 HydrophobicContact CG-CD1 4.21Å; P406-Y576 HydrophobicContact CG-CE1 3.73Å; P406-Y576 HydrophobicContact CG-CE2 4.31Å; F408-Y576 HydrophobicContact CZ-CG 4.4Å; V553-Y576 CarbonylContact C-O 3.59Å; V553-Y576 WeakPolarHBondContact CA-O 3.27Å; V554-Y576 PolarHBondContact N-O 3.19Å; V554-Y576 PolarHBondContact O-N 3.28Å; V556-Y576 HydrophobicContact CB-CD2 4.47Å; V556-Y576 HydrophobicContact CB-CE2 4.39Å; V556-Y576 HydrophobicContact CG2-CD2 3.99Å; V556-Y576 HydrophobicContact CG2-CE2 4.25Å; Q574-Y576 HydrophobicContact CB-CD2 4.38Å; Q574-Y576 HydrophobicContact CB-CE2 3.6Å; Q574-Y576 PolarHBondContact OE1-OH 2.76Å; Q574-Y576 VanDerWaalsContact OE1-OH 3.14Å; Y576-N583 HydrophobicContact CD1-CB 4.5Å; Y576-V584 CarbonylContact C-O 3.54Å; Y576-V584 WeakPolarHBondContact CA-O 3.46Å; Y576-N585 HydrophobicContact CD1-CB 4.37Å; Y576-N585 HydrophobicContact CE1-CB 4.05Å
577M91.6Very high86.4Confident2 Ų245.2 Ų45.21%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-135.3129.7176.5173.6-172.467.400108.9M547 T548 R551 E579 V584 L586M547-M577 HydrophobicContact CE-CE 4.02Å; T548-M577 HydrophobicContact CG2-SD 4.09Å; R551-M577 HydrophobicContact CB-CG 3.99Å; R551-M577 HydrophobicContact CB-SD 4.14Å; R551-M577 WeakPolarHBondContact CD-SD 3.09Å; R551-M577 HydrophobicContact CG-SD 4.38Å; M577-E579 PolarHBondContact O-N 3.02Å; M577-V584 HydrophobicContact CE-CB 4.12Å; M577-V584 HydrophobicContact CE-CG1 4.21Å; M577-V584 HydrophobicContact CE-CG2 4.46Å; M577-V584 PolarHBondContact N-O 3.24Å; M577-V584 WeakPolarHBondContact O-CB 3.48Å; M577-V584 PolarHBondContact O-N 3.49Å; M577-L586 HydrophobicContact CB-CD1 4.01Å; M577-L586 HydrophobicContact CB-CD2 3.82Å; M577-L586 HydrophobicContact CB-CG 3.93Å; M577-L586 HydrophobicContact CE-CD2 3.79Å; M577-L586 HydrophobicContact SD-CD2 4.06Å
578K83Confident87.4Confident121 Ų12146.6 Ų46.653%0.52624%0.239SC..EExtended strand (participates in β ladder)trans-84.9116.2-179.9-159.9155.5-167.3140.70110.7G581 I582K578-G581 WeakPolarHBondContact CE-O 3.39Å; K578-I582 WeakPolarHBondContact CA-O 3.41Å
579E79.3Confident88.4Confident49 Ų4948.7 Ų48.723%0.22925%0.249CC..EExtended strand (participates in β ladder)trans-124.3119.4177.6174.7153.8-14900110.1R551 M577 G581 I582 V584R551-E579 IonicContact CZ-OE1 3.47Å; R551-E579 IonicContact CZ-OE2 2.81Å; R551-E579 IonicContact NH1-OE1 3.21Å; R551-E579 PolarHBondContact NH1-OE1 3.48Å; R551-E579 IonicContact NH1-OE2 3.06Å; R551-E579 PolarHBondContact NH1-OE2 3.35Å; R551-E579 VanDerWaalsContact NH2-CD 3.26Å; R551-E579 IonicContact NH2-OE1 3.39Å; R551-E579 PolarHBondContact NH2-OE1 2.84Å; R551-E579 IonicContact NH2-OE2 3.28Å; M577-E579 PolarHBondContact O-N 3.02Å; E579-G581 PolarHBondContact O-N 2.87Å; E579-I582 PolarHBondContact N-O 3.18Å; E579-I582 WeakPolarHBondContact O-CB 3.27Å; E579-I582 PolarHBondContact O-N 3.35Å; E579-V584 HydrophobicContact CB-CG2 3.88Å
580R79.2Confident88.9Confident225 Ų22546.1 Ų46.185%0.84924%0.235SC*.THydrogen-bonded Turntrans52.426.8-178.6-55.1-177.4-177.5-159.60.1114.4
581G76.4Confident89Confident46 Ų4648.7 Ų48.747%0.47424%0.243SC..THydrogen-bonded Turntrans94.5-17.9-175.900000114.7K578 E579K578-G581 WeakPolarHBondContact CE-O 3.39Å; E579-G581 PolarHBondContact O-N 2.87Å
582I80.2Confident88.9Confident121 Ų12152.8 Ų52.862%0.62127%0.265SS*.EExtended strand (participates in β ladder)trans-85.4140.9179.3-56.1174.2000110K578 E579 V584K578-I582 WeakPolarHBondContact CA-O 3.41Å; E579-I582 PolarHBondContact N-O 3.18Å; E579-I582 WeakPolarHBondContact O-CB 3.27Å; E579-I582 PolarHBondContact O-N 3.35Å; I582-V584 PolarHBondContact O-N 2.91Å
583N82.8Confident88.8Confident23 Ų2352 Ų5212%0.12326%0.258CS..EExtended strand (participates in β ladder)trans-90.897.3179.6-58.7-52.2000110.6E405 F408 Y576E405-N583 PolarHBondContact OE1-ND2 3.06Å; E405-N583 PolarHBondContact OE2-ND2 3.43Å; F408-N583 HydrophobicContact CE2-CB 4.13Å; F408-N583 VanDerWaalsContact CE2-CG 3.43Å; F408-N583 WeakPolarHBondContact CE2-ND2 3.32Å; F408-N583 HydrophobicContact CZ-CB 3.89Å; F408-N583 VanDerWaalsContact CZ-CG 3.47Å; F408-N583 WeakPolarHBondContact CZ-OD1 3.34Å; Y576-N583 HydrophobicContact CD1-CB 4.5Å
584V89.3Confident88.5Confident35 Ų3552 Ų5221%0.21226%0.258CS..EExtended strand (participates in β ladder)trans-80.6122.2-177.6-177.40000110.2Y576 M577 E579 I582 L586 M589Y576-V584 CarbonylContact C-O 3.54Å; Y576-V584 WeakPolarHBondContact CA-O 3.46Å; M577-V584 HydrophobicContact CE-CB 4.12Å; M577-V584 HydrophobicContact CE-CG1 4.21Å; M577-V584 HydrophobicContact CE-CG2 4.46Å; M577-V584 PolarHBondContact N-O 3.24Å; M577-V584 WeakPolarHBondContact O-CB 3.48Å; M577-V584 PolarHBondContact O-N 3.49Å; E579-V584 HydrophobicContact CB-CG2 3.88Å; I582-V584 PolarHBondContact O-N 2.91Å; V584-L586 PolarHBondContact O-N 3.44Å; V584-M589 HydrophobicContact CG1-CG 4.23Å; V584-M589 HydrophobicContact CG1-SD 3.58Å; V584-M589 VanDerWaalsContact CG1-SD 3.58Å
585N92.2Very high88Confident47 Ų4753.9 Ų53.925%0.25127%0.268SS..EExtended strand (participates in β ladder)trans-76109.8174.5-177-44.2000110.2Y576 N587 S588 M589Y576-N585 HydrophobicContact CD1-CB 4.37Å; Y576-N585 HydrophobicContact CE1-CB 4.05Å; N585-N587 WeakPolarHBondContact OD1-CB 3.4Å; N585-N587 PolarHBondContact OD1-N 3.45Å; N585-S588 PolarHBondContact OD1-N 3.45Å; N585-S588 VanDerWaalsContact OD1-N 3.09Å; N585-M589 PolarHBondContact O-N 3.46Å
586L94.3Very high87.4Confident2 Ų257.9 Ų57.91%0.0129%0.287CS..Hα-helixtrans-74.6-27.8-178.3-62.9-176.1000113F544 T548 V553 L575 M577 V584 S588 M589 V590F544-L586 HydrophobicContact CE1-CD1 4.36Å; F544-L586 HydrophobicContact CE2-CB 4.2Å; F544-L586 HydrophobicContact CE2-CD1 4.03Å; F544-L586 HydrophobicContact CZ-CB 4.44Å; F544-L586 HydrophobicContact CZ-CD1 3.54Å; T548-L586 HydrophobicContact CG2-CD1 3.78Å; T548-L586 HydrophobicContact CG2-CD2 4.49Å; V553-L586 HydrophobicContact CG1-CD1 3.67Å; V553-L586 HydrophobicContact CG2-CD1 4.01Å; L575-L586 HydrophobicContact CB-CB 3.97Å; L575-L586 HydrophobicContact CB-CD1 4.38Å; L575-L586 PolarHBondContact O-N 2.84Å; M577-L586 HydrophobicContact CB-CD1 4.01Å; M577-L586 HydrophobicContact CB-CD2 3.82Å; M577-L586 HydrophobicContact CB-CG 3.93Å; M577-L586 HydrophobicContact CE-CD2 3.79Å; M577-L586 HydrophobicContact SD-CD2 4.06Å; V584-L586 PolarHBondContact O-N 3.44Å; L586-S588 VanDerWaalsContact C-N 3.27Å; L586-S588 PolarHBondContact O-N 2.79Å; L586-M589 HydrophobicContact CD2-SD 4.06Å; L586-M589 PolarHBondContact O-N 3.28Å; L586-M589 VanDerWaalsContact O-N 3.09Å; L586-V590 WeakPolarHBondContact O-CG2 3.25Å; L586-V590 PolarHBondContact O-N 2.82Å
587N94Very high86.3Confident5 Ų559 Ų593%0.02729%0.294CS..Hα-helixtrans-58.8-43.5176.2-61.625.9000110.3M525 L526 V528 L573 L575 N585 V590 K591M525-N587 HydrophobicContact CB-CB 4.4Å; L526-N587 PolarHBondContact N-ND2 2.93Å; L526-N587 VanDerWaalsContact N-ND2 3.12Å; L526-N587 PolarHBondContact O-ND2 3.2Å; V528-N587 HydrophobicContact CG2-CB 4.14Å; V528-N587 WeakPolarHBondContact CG2-O 3.43Å; L573-N587 PolarHBondContact O-ND2 2.92Å; L575-N587 WeakPolarHBondContact CB-OD1 3.42Å; L575-N587 PolarHBondContact N-OD1 3.36Å; N585-N587 WeakPolarHBondContact OD1-CB 3.4Å; N585-N587 PolarHBondContact OD1-N 3.45Å; N587-V590 PolarHBondContact O-N 3.36Å; N587-K591 WeakPolarHBondContact O-CB 3.49Å; N587-K591 PolarHBondContact O-N 3.38Å
588S92.3Very high85.1Confident57 Ų5761.2 Ų61.240%0.39931%0.307SS..Hα-helixtrans-59.6-46.7173.1-61.60000111.3N585 L586 V590 K591 D592N585-S588 PolarHBondContact OD1-N 3.45Å; N585-S588 VanDerWaalsContact OD1-N 3.09Å; L586-S588 VanDerWaalsContact C-N 3.27Å; L586-S588 PolarHBondContact O-N 2.79Å; S588-V590 PolarHBondContact O-N 2.64Å; S588-K591 WeakPolarHBondContact O-CB 3.21Å; S588-K591 PolarHBondContact O-N 2.71Å; S588-D592 WeakPolarHBondContact O-CB 3.26Å; S588-D592 PolarHBondContact O-N 3.03Å
589M92.4Very high84Confident52 Ų5257 Ų5726%0.25630%0.298SS..Hα-helixtrans-60.8-41.7178.4-61.7-162.774.500113.2W543 M547 V584 N585 L586 K593W543-M589 HydrophobicContact CH2-CB 4.18Å; W543-M589 WeakPolarHBondContact CH2-O 3.25Å; M547-M589 HydrophobicContact CE-CE 3.75Å; M547-M589 HydrophobicContact CE-SD 4.22Å; M547-M589 HydrophobicContact CG-CE 4.28Å; M547-M589 HydrophobicContact SD-CE 3.97Å; V584-M589 HydrophobicContact CG1-CG 4.23Å; V584-M589 HydrophobicContact CG1-SD 3.58Å; V584-M589 VanDerWaalsContact CG1-SD 3.58Å; N585-M589 PolarHBondContact O-N 3.46Å; L586-M589 HydrophobicContact CD2-SD 4.06Å; L586-M589 PolarHBondContact O-N 3.28Å; L586-M589 VanDerWaalsContact O-N 3.09Å; M589-K593 VanDerWaalsContact O-CB 3.27Å; M589-K593 WeakPolarHBondContact O-CB 3.37Å; M589-K593 PolarHBondContact O-N 3.21Å
590V92.7Very high83Confident0 Ų057.6 Ų57.60%031%0.308CS..Hα-helixtrans-63.7-47.1175.91780000110.2M525 V528 L540 W543 F544 L586 N587 S588 D592 K593 C594M525-V590 HydrophobicContact CE-CB 4.16Å; M525-V590 HydrophobicContact CE-CG1 3.84Å; M525-V590 HydrophobicContact CE-CG2 3.97Å; M525-V590 HydrophobicContact SD-CB 4.45Å; M525-V590 HydrophobicContact SD-CG2 3.93Å; V528-V590 HydrophobicContact CG1-CG1 4.07Å; V528-V590 HydrophobicContact CG2-CB 4.35Å; V528-V590 HydrophobicContact CG2-CG1 4.48Å; L540-V590 HydrophobicContact CD1-CG1 4.47Å; L540-V590 HydrophobicContact CD2-CG1 4.32Å; W543-V590 HydrophobicContact CZ3-CG2 4.09Å; F544-V590 HydrophobicContact CD2-CG2 3.74Å; F544-V590 HydrophobicContact CE2-CG2 3.77Å; L586-V590 WeakPolarHBondContact O-CG2 3.25Å; L586-V590 PolarHBondContact O-N 2.82Å; N587-V590 PolarHBondContact O-N 3.36Å; S588-V590 PolarHBondContact O-N 2.64Å; V590-D592 PolarHBondContact O-N 2.81Å; V590-K593 PolarHBondContact O-N 2.78Å; V590-C594 PolarHBondContact O-N 2.73Å; V590-C594 PolarHBondContact O-SG 2.67Å
591K91.3Very high82Confident86 Ų8649 Ų4937%0.37428%0.28SS..Hα-helixtrans-57.1-49.3178-178.7-169.2-177.6-175.30111.6G527 V528 N587 S588 K593 C594 M595G527-K591 WeakPolarHBondContact O-CD 3.42Å; V528-K591 HydrophobicContact CG2-CB 4.38Å; N587-K591 WeakPolarHBondContact O-CB 3.49Å; N587-K591 PolarHBondContact O-N 3.38Å; S588-K591 WeakPolarHBondContact O-CB 3.21Å; S588-K591 PolarHBondContact O-N 2.71Å; K591-K593 VanDerWaalsContact C-N 3.34Å; K591-K593 PolarHBondContact O-N 2.89Å; K591-C594 WeakPolarHBondContact O-CB 3.48Å; K591-C594 PolarHBondContact O-N 3.06Å; K591-M595 WeakPolarHBondContact O-CG 3.46Å; K591-M595 PolarHBondContact O-N 3Å
592D89.5Confident81.1Confident98 Ų9851.1 Ų51.152%0.52428%0.284SS..Hα-helixtrans-66.1-37.9-179.2-64.1-21.5000111.1S588 V590 C594 M595 E596S588-D592 WeakPolarHBondContact O-CB 3.26Å; S588-D592 PolarHBondContact O-N 3.03Å; V590-D592 PolarHBondContact O-N 2.81Å; D592-C594 VanDerWaalsContact C-N 3.34Å; D592-C594 PolarHBondContact O-N 3.44Å; D592-M595 PolarHBondContact O-N 3.5Å; D592-E596 PolarHBondContact O-N 3.38Å
593K89.8Confident80.1Confident39 Ų3950.7 Ų50.717%0.1728%0.282CS..Hα-helixtrans-64-36.5174-173.467.4-155.6164.90112.7W533 L540 W543 M589 V590 K591 E596W533-K593 HydrophobicContact CZ3-CG 4.11Å; L540-K593 HydrophobicContact CD1-CG 4.44Å; W543-K593 HydrophobicContact CD2-CD 4.15Å; W543-K593 HydrophobicContact CD2-CG 3.78Å; W543-K593 HydrophobicContact CE3-CB 4.44Å; W543-K593 HydrophobicContact CE3-CG 3.98Å; W543-K593 HydrophobicContact CG-CD 4.43Å; W543-K593 HydrophobicContact CG-CG 4.39Å; W543-K593 HydrophobicContact CH2-CB 3.69Å; W543-K593 HydrophobicContact CH2-CG 4.03Å; W543-K593 HydrophobicContact CZ2-CB 3.77Å; W543-K593 HydrophobicContact CZ2-CD 4.06Å; W543-K593 HydrophobicContact CZ2-CG 3.83Å; W543-K593 HydrophobicContact CZ3-CB 4.04Å; W543-K593 HydrophobicContact CZ3-CG 4.1Å; M589-K593 VanDerWaalsContact O-CB 3.27Å; M589-K593 WeakPolarHBondContact O-CB 3.37Å; M589-K593 PolarHBondContact O-N 3.21Å; V590-K593 PolarHBondContact O-N 2.78Å; K591-K593 VanDerWaalsContact C-N 3.34Å; K591-K593 PolarHBondContact O-N 2.89Å; K593-E596 WeakPolarHBondContact CD-OE2 3.49Å; K593-E596 IonicContact NZ-OE1 2.79Å; K593-E596 PolarHBondContact NZ-OE1 3.26Å; K593-E596 IonicContact NZ-OE2 2.8Å; K593-E596 PolarHBondContact NZ-OE2 2.86Å
594C86.5Confident78.9Confident0 Ų053.4 Ų53.40%030%0.299CS..Hα-helixtrans-67.3-42.2172.2-630000111.8L532 W533 V590 K591 D592 E596 M597 V598L532-C594 HydrophobicContact CB-CB 4.08Å; L532-C594 HydrophobicContact CD2-CB 3.6Å; L532-C594 HydrophobicContact CG-CB 3.66Å; W533-C594 HydrophobicContact CE3-CB 4.23Å; V590-C594 PolarHBondContact O-N 2.73Å; V590-C594 PolarHBondContact O-SG 2.67Å; K591-C594 WeakPolarHBondContact O-CB 3.48Å; K591-C594 PolarHBondContact O-N 3.06Å; D592-C594 VanDerWaalsContact C-N 3.34Å; D592-C594 PolarHBondContact O-N 3.44Å; C594-E596 VanDerWaalsContact C-N 3.32Å; C594-E596 PolarHBondContact O-N 3.45Å; C594-M597 PolarHBondContact O-N 3.1Å; C594-V598 PolarHBondContact O-N 3.47Å
595M83.7Confident77.3Confident100 Ų10057.1 Ų57.149%0.49331%0.313SS..Hα-helixtrans-61.1-37.4175.9-68.4-61.1-60.500112.9L532 K591 D592 M597 V598 G599L532-M595 HydrophobicContact CD1-SD 3.94Å; L532-M595 HydrophobicContact CD2-CG 4.14Å; L532-M595 HydrophobicContact CD2-SD 3.82Å; L532-M595 HydrophobicContact CG-SD 4.38Å; K591-M595 WeakPolarHBondContact O-CG 3.46Å; K591-M595 PolarHBondContact O-N 3Å; D592-M595 PolarHBondContact O-N 3.5Å; M595-M597 VanDerWaalsContact C-N 3.3Å; M595-M597 PolarHBondContact O-N 2.89Å; M595-V598 PolarHBondContact O-N 3.45Å; M595-G599 PolarHBondContact O-N 2.93Å
596E81.2Confident75.7Confident85 Ų8557 Ų5740%0.39732%0.318SS..Hα-helixtrans-56.2-41.8176.3-170.6-167.514500112.2D592 K593 C594 S600D592-E596 PolarHBondContact O-N 3.38Å; K593-E596 WeakPolarHBondContact CD-OE2 3.49Å; K593-E596 IonicContact NZ-OE1 2.79Å; K593-E596 PolarHBondContact NZ-OE1 3.26Å; K593-E596 IonicContact NZ-OE2 2.8Å; K593-E596 PolarHBondContact NZ-OE2 2.86Å; C594-E596 VanDerWaalsContact C-N 3.32Å; C594-E596 PolarHBondContact O-N 3.45Å; E596-S600 WeakPolarHBondContact O-CB 3.41Å; E596-S600 PolarHBondContact O-N 3.05Å; E596-S600 PolarHBondContact O-OG 3.4Å
597M70.7Confident74.4Confident47 Ų4760.6 Ų60.623%0.23234%0.34CS..Hα-helixtrans-76.7-37.7-179.9-61.7-132.2-46.600112.8W533 N534 C594 M595 G599 S600 T601W533-M597 HydrophobicContact CD2-CE 3.84Å; W533-M597 HydrophobicContact CE3-CE 3.8Å; W533-M597 HydrophobicContact CE3-CG 4.35Å; W533-M597 HydrophobicContact CH2-CE 3.37Å; W533-M597 HydrophobicContact CH2-CG 3.9Å; W533-M597 HydrophobicContact CH2-SD 3.43Å; W533-M597 WeakPolarHBondContact CH2-SD 3.37Å; W533-M597 HydrophobicContact CZ2-CE 3.38Å; W533-M597 HydrophobicContact CZ2-SD 3.96Å; W533-M597 HydrophobicContact CZ3-CB 4.42Å; W533-M597 HydrophobicContact CZ3-CE 3.58Å; W533-M597 HydrophobicContact CZ3-CG 3.61Å; W533-M597 HydrophobicContact CZ3-SD 3.78Å; N534-M597 WeakPolarHBondContact OD1-CB 3.34Å; N534-M597 WeakPolarHBondContact OD1-CE 3.45Å; C594-M597 PolarHBondContact O-N 3.1Å; M595-M597 VanDerWaalsContact C-N 3.3Å; M595-M597 PolarHBondContact O-N 2.89Å; M597-G599 VanDerWaalsContact C-N 3.34Å; M597-G599 PolarHBondContact O-N 3.28Å; M597-S600 PolarHBondContact O-N 3.2Å; M597-T601 WeakPolarHBondContact O-CB 3.44Å; M597-T601 PolarHBondContact O-N 3.07Å; M597-T601 PolarHBondContact O-OG1 3.41Å
598V65.8Low73.1Confident48 Ų4865.1 Ų65.129%0.29136%0.364SS..Hα-helixtrans-58.7-48.3172.11760000109.8L532 C594 M595 S600 T601 T602L532-V598 HydrophobicContact CD1-CG2 4.08Å; L532-V598 HydrophobicContact CG-CG2 4.49Å; L532-V598 WeakPolarHBondContact O-CG2 3.24Å; C594-V598 PolarHBondContact O-N 3.47Å; M595-V598 PolarHBondContact O-N 3.45Å; V598-S600 PolarHBondContact O-N 2.91Å; V598-T601 WeakPolarHBondContact O-CB 3.47Å; V598-T601 PolarHBondContact O-N 3.39Å; V598-T602 PolarHBondContact O-N 3.25Å; V598-T602 PolarHBondContact O-OG1 2.92Å; V598-T602 VanDerWaalsContact O-OG1 3.05Å
599G59.9Low71.9Confident31 Ų3167.8 Ų67.832%0.3237%0.374SS..Hα-helixtrans-58.9-46.917600000113.2M595 M597 T601 T602 I603M595-G599 PolarHBondContact O-N 2.93Å; M597-G599 VanDerWaalsContact C-N 3.34Å; M597-G599 PolarHBondContact O-N 3.28Å; G599-T601 VanDerWaalsContact C-N 3.27Å; G599-T601 PolarHBondContact O-N 2.87Å; G599-T602 PolarHBondContact O-N 3.35Å; G599-I603 WeakPolarHBondContact O-CG1 3.33Å; G599-I603 PolarHBondContact O-N 3.47Å
600S59Low71Confident63 Ų6374.3 Ų74.344%0.44140%0.396SS..Hα-helixtrans-59-38.9176.3-59.70000112.2E596 M597 V598 T604E596-S600 WeakPolarHBondContact O-CB 3.41Å; E596-S600 PolarHBondContact O-N 3.05Å; E596-S600 PolarHBondContact O-OG 3.4Å; M597-S600 PolarHBondContact O-N 3.2Å; V598-S600 PolarHBondContact O-N 2.91Å; S600-T604 WeakPolarHBondContact O-CB 3.3Å; S600-T604 PolarHBondContact O-N 3.27Å; S600-T604 PolarHBondContact O-OG1 2.88Å
601T58.1Low70.1Confident45 Ų4578 Ų7828%0.27642%0.418SS..Hα-helixtrans-70-44.4177.5-54.10000111.4N534 M597 V598 G599 I603 T604 F605N534-T601 PolarHBondContact ND2-OG1 2.8Å; M597-T601 WeakPolarHBondContact O-CB 3.44Å; M597-T601 PolarHBondContact O-N 3.07Å; M597-T601 PolarHBondContact O-OG1 3.41Å; V598-T601 WeakPolarHBondContact O-CB 3.47Å; V598-T601 PolarHBondContact O-N 3.39Å; G599-T601 VanDerWaalsContact C-N 3.27Å; G599-T601 PolarHBondContact O-N 2.87Å; T601-I603 VanDerWaalsContact C-N 3.35Å; T601-I603 PolarHBondContact O-N 3.18Å; T601-T604 PolarHBondContact O-N 3.07Å; T601-F605 HydrophobicContact CG2-CD2 3.81Å; T601-F605 HydrophobicContact CG2-CE2 3.82Å; T601-F605 WeakPolarHBondContact O-CD2 3.25Å; T601-F605 PolarHBondContact O-N 3.24Å
602T58.3Low69.2Low89 Ų8975.3 Ų75.355%0.54642%0.415SS..Hα-helixtrans-60.5-41.7175-57.30000112V598 G599 A606V598-T602 PolarHBondContact O-N 3.25Å; V598-T602 PolarHBondContact O-OG1 2.92Å; V598-T602 VanDerWaalsContact O-OG1 3.05Å; G599-T602 PolarHBondContact O-N 3.35Å; T602-A606 VanDerWaalsContact O-CB 3.3Å; T602-A606 WeakPolarHBondContact O-CB 3.14Å; T602-A606 PolarHBondContact O-N 3.24Å
603I59.3Low68.5Low113 Ų11376.2 Ų76.258%0.57941%0.414SS*.Hα-helixtrans-62.7-44.9174.5-67.7165.3000110.2G599 T601 F605 A606 V607G599-I603 WeakPolarHBondContact O-CG1 3.33Å; G599-I603 PolarHBondContact O-N 3.47Å; T601-I603 VanDerWaalsContact C-N 3.35Å; T601-I603 PolarHBondContact O-N 3.18Å; I603-F605 PolarHBondContact O-N 2.98Å; I603-A606 PolarHBondContact O-N 3.12Å; I603-V607 HydrophobicContact CG2-CG2 4.46Å; I603-V607 WeakPolarHBondContact O-CG2 3.39Å; I603-V607 PolarHBondContact O-N 2.91Å
604T56.8Low67.7Low80 Ų8076 Ų7649%0.49142%0.42SS..Hα-helixtrans-61.8-45.5179.8-56.40000111.8S600 T601 V607 L608S600-T604 WeakPolarHBondContact O-CB 3.3Å; S600-T604 PolarHBondContact O-N 3.27Å; S600-T604 PolarHBondContact O-OG1 2.88Å; T601-T604 PolarHBondContact O-N 3.07Å; T604-V607 PolarHBondContact O-N 2.86Å; T604-L608 HydrophobicContact CG2-CD1 4.06Å; T604-L608 WeakPolarHBondContact O-CB 3.45Å; T604-L608 WeakPolarHBondContact O-CG 3.31Å; T604-L608 PolarHBondContact O-N 3.05Å
605F55.1Low67.1Low112 Ų11282.1 Ų82.149%0.49145%0.452SS..Hα-helixtrans-65.1-38.1173.5-86.8-73.8000112.9T601 I603 V607 L608 N609T601-F605 HydrophobicContact CG2-CD2 3.81Å; T601-F605 HydrophobicContact CG2-CE2 3.82Å; T601-F605 WeakPolarHBondContact O-CD2 3.25Å; T601-F605 PolarHBondContact O-N 3.24Å; I603-F605 PolarHBondContact O-N 2.98Å; F605-V607 VanDerWaalsContact C-N 3.32Å; F605-V607 PolarHBondContact O-N 3.04Å; F605-L608 PolarHBondContact O-N 3.42Å; F605-N609 WeakPolarHBondContact O-CB 3.27Å; F605-N609 VanDerWaalsContact O-CG 3.23Å; F605-N609 PolarHBondContact O-N 2.98Å
606A59.8Low66.7Low45 Ų4585.1 Ų85.137%0.37247%0.465SS..Hα-helixtrans-66.4-33.8176.500000112.5T602 I603 R610T602-A606 VanDerWaalsContact O-CB 3.3Å; T602-A606 WeakPolarHBondContact O-CB 3.14Å; T602-A606 PolarHBondContact O-N 3.24Å; I603-A606 PolarHBondContact O-N 3.12Å; A606-R610 WeakPolarHBondContact O-CD 3.35Å; A606-R610 VanDerWaalsContact O-CG 3.24Å; A606-R610 WeakPolarHBondContact O-CG 3.37Å; A606-R610 PolarHBondContact O-N 3.43Å
607V66Low66.5Low77 Ų7785.1 Ų85.147%0.46747%0.467SS..Hα-helixtrans-71.6-48.5172.1172.10000110.7I603 T604 F605 N609 R610 V611I603-V607 HydrophobicContact CG2-CG2 4.46Å; I603-V607 WeakPolarHBondContact O-CG2 3.39Å; I603-V607 PolarHBondContact O-N 2.91Å; T604-V607 PolarHBondContact O-N 2.86Å; F605-V607 VanDerWaalsContact C-N 3.32Å; F605-V607 PolarHBondContact O-N 3.04Å; V607-N609 VanDerWaalsContact C-N 3.35Å; V607-N609 PolarHBondContact O-N 3.37Å; V607-R610 WeakPolarHBondContact O-CB 3.21Å; V607-R610 PolarHBondContact O-N 3.11Å; V607-V611 HydrophobicContact CG1-CG2 4.35Å; V607-V611 WeakPolarHBondContact O-CG2 3.18Å; V607-V611 PolarHBondContact O-N 3.34Å
608L66.7Low66.2Low100 Ų10086.1 Ų86.152%0.52449%0.489SS..Hα-helixtrans-58-43.9177.5-78.5167.2000112.2T604 F605 R610 V611 G612T604-L608 HydrophobicContact CG2-CD1 4.06Å; T604-L608 WeakPolarHBondContact O-CB 3.45Å; T604-L608 WeakPolarHBondContact O-CG 3.31Å; T604-L608 PolarHBondContact O-N 3.05Å; F605-L608 PolarHBondContact O-N 3.42Å; L608-R610 VanDerWaalsContact C-N 3.3Å; L608-R610 PolarHBondContact O-N 3.45Å; L608-V611 PolarHBondContact O-N 3.43Å; L608-G612 PolarHBondContact O-N 2.93Å
609N68Low65.3Low113 Ų11393.8 Ų93.860%0.60452%0.519SS*.Hα-helixtrans-66.1-31.1176.7-71.3-4.4000112.5F605 V607 K613F605-N609 WeakPolarHBondContact O-CB 3.27Å; F605-N609 VanDerWaalsContact O-CG 3.23Å; F605-N609 PolarHBondContact O-N 2.98Å; V607-N609 VanDerWaalsContact C-N 3.35Å; V607-N609 PolarHBondContact O-N 3.37Å; N609-K613 VanDerWaalsContact O-CB 3.27Å; N609-K613 WeakPolarHBondContact O-CB 3.23Å; N609-K613 PolarHBondContact O-N 3.36Å
610R72.1Confident65.6Low190 Ų19096.9 Ų96.972%0.71753%0.529SS*.Hα-helixtrans-72.9-39173.3-76.2171.4-179.8-1781112.3A606 V607 L608 A614A606-R610 WeakPolarHBondContact O-CD 3.35Å; A606-R610 VanDerWaalsContact O-CG 3.24Å; A606-R610 WeakPolarHBondContact O-CG 3.37Å; A606-R610 PolarHBondContact O-N 3.43Å; V607-R610 WeakPolarHBondContact O-CB 3.21Å; V607-R610 PolarHBondContact O-N 3.11Å; L608-R610 VanDerWaalsContact C-N 3.3Å; L608-R610 PolarHBondContact O-N 3.45Å; R610-A614 WeakPolarHBondContact O-CB 3.23Å; R610-A614 PolarHBondContact O-N 3.15Å
611V74.3Confident65.9Low77 Ų7798.7 Ų98.747%0.46753%0.533SS..Hα-helixtrans-68.9-47.2176.1172.40000110.6V607 L608 K613 A614 L615V607-V611 HydrophobicContact CG1-CG2 4.35Å; V607-V611 WeakPolarHBondContact O-CG2 3.18Å; V607-V611 PolarHBondContact O-N 3.34Å; L608-V611 PolarHBondContact O-N 3.43Å; V611-K613 VanDerWaalsContact C-N 3.34Å; V611-K613 PolarHBondContact O-N 3.36Å; V611-A614 PolarHBondContact O-N 2.79Å; V611-A614 VanDerWaalsContact O-N 3.12Å; V611-L615 HydrophobicContact CG1-CD1 4.06Å; V611-L615 WeakPolarHBondContact O-CG 3.21Å; V611-L615 PolarHBondContact O-N 3.16Å
612G72.5Confident66.3Low30 Ų30101.7 Ų101.731%0.30955%0.548SS..Hα-helixtrans-55.6-48.7173.700000111.5L608 A614 L615 E616L608-G612 PolarHBondContact O-N 2.93Å; G612-A614 PolarHBondContact O-N 3.2Å; G612-L615 PolarHBondContact O-N 3.23Å; G612-E616 WeakPolarHBondContact O-CG 3.43Å; G612-E616 PolarHBondContact O-N 3.06Å
613K74.8Confident66.8Low116 Ų116102.4 Ų102.450%0.50455%0.548SS..Hα-helixtrans-64.3-35.5175.4-175.6168.2-178.5178.30113.5N609 V611 L615 E616 D617N609-K613 VanDerWaalsContact O-CB 3.27Å; N609-K613 WeakPolarHBondContact O-CB 3.23Å; N609-K613 PolarHBondContact O-N 3.36Å; V611-K613 VanDerWaalsContact C-N 3.34Å; V611-K613 PolarHBondContact O-N 3.36Å; K613-L615 VanDerWaalsContact C-N 3.32Å; K613-E616 PolarHBondContact O-N 2.79Å; K613-D617 VanDerWaalsContact CE-OD1 3.32Å; K613-D617 WeakPolarHBondContact CE-OD1 3.39Å; K613-D617 WeakPolarHBondContact CE-OD2 3.32Å; K613-D617 VanDerWaalsContact O-CB 3.23Å; K613-D617 WeakPolarHBondContact O-CB 3.02Å; K613-D617 PolarHBondContact O-N 3.35Å
614A74.1Confident67.3Low36 Ų36101.8 Ų101.830%0.29855%0.546SS..Hα-helixtrans-64.4-39175.800000111.9R610 V611 G612 D617 G618 K619R610-A614 WeakPolarHBondContact O-CB 3.23Å; R610-A614 PolarHBondContact O-N 3.15Å; V611-A614 PolarHBondContact O-N 2.79Å; V611-A614 VanDerWaalsContact O-N 3.12Å; G612-A614 PolarHBondContact O-N 3.2Å; A614-D617 CarbonylContact O-C 3.59Å; A614-D617 PolarHBondContact O-N 3.3Å; A614-G618 PolarHBondContact O-N 3.28Å; A614-G618 VanDerWaalsContact O-N 3.11Å; A614-K619 PolarHBondContact O-N 3.31Å
615L73.4Confident68Low127 Ų127103.2 Ų103.267%0.66555%0.55SS*.Hα-helixtrans-67.8-38174.3-65.7166.7000112.1V611 G612 K613 G618V611-L615 HydrophobicContact CG1-CD1 4.06Å; V611-L615 WeakPolarHBondContact O-CG 3.21Å; V611-L615 PolarHBondContact O-N 3.16Å; G612-L615 PolarHBondContact O-N 3.23Å; K613-L615 VanDerWaalsContact C-N 3.32Å; L615-G618 PolarHBondContact O-N 3.49Å
616E74.7Confident68.9Low164 Ų164102.6 Ų102.677%0.76655%0.554SS**Hα-helixtrans-67.9-40.4172.4-70.7172.7166.900112.6G612 K613 G618G612-E616 WeakPolarHBondContact O-CG 3.43Å; G612-E616 PolarHBondContact O-N 3.06Å; K613-E616 PolarHBondContact O-N 2.79Å; E616-G618 PolarHBondContact O-N 3.44Å
617D78.3Confident69.6Low84 Ų84107 Ų10745%0.44957%0.568SS.*THydrogen-bonded Turntrans-73.3-3175.3-77-6.7000112.5K613 A614 K619K613-D617 VanDerWaalsContact CE-OD1 3.32Å; K613-D617 WeakPolarHBondContact CE-OD1 3.39Å; K613-D617 WeakPolarHBondContact CE-OD2 3.32Å; K613-D617 VanDerWaalsContact O-CB 3.23Å; K613-D617 WeakPolarHBondContact O-CB 3.02Å; K613-D617 PolarHBondContact O-N 3.35Å; A614-D617 CarbonylContact O-C 3.59Å; A614-D617 PolarHBondContact O-N 3.3Å; D617-K619 HydrophobicContact CB-CD 4.35Å; D617-K619 IonicContact OD2-NZ 3.84Å
618G63.3Low69.9Low68 Ų68109.5 Ų109.570%0.70158%0.576SS**THydrogen-bonded Turntrans70.642.6175.700000115.4A614 L615 E616A614-G618 PolarHBondContact O-N 3.28Å; A614-G618 VanDerWaalsContact O-N 3.11Å; L615-G618 PolarHBondContact O-N 3.49Å; E616-G618 PolarHBondContact O-N 3.44Å
619K46.5Very low70.2Confident209 Ų209110.4 Ų110.491%0.90958%0.581SS**  trans-121.60-174.5-68.1173.6-176.1158.50114.3A614 D617A614-K619 PolarHBondContact O-N 3.31Å; D617-K619 HydrophobicContact CB-CD 4.35Å; D617-K619 IonicContact OD2-NZ 3.84Å

Retrieved 619 of 619 residues in 925.7 ms (Link to these results)

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