A0A3Q0KEJ5_SCHMA Loading...

Aldedh domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KEJ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 655 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.2Very low43.5Very low243 Ų243120.9 Ų120.9100%1.19764%0.64SS**  0107.40-77.9-177.3122.500108.1
2S29.8Very low46.6Very low125 Ų125112.1 Ų112.187%0.87459%0.592SS**  trans20.494.6178.268.70000119.3
3S32Very low49.6Very low59 Ų59109.8 Ų109.841%0.41358%0.58SS.*  trans-121.46.6159.957.60000114.1D5S3-D5 PolarHBondContact O-N 3.41Å
4D37.3Very low52.5Low137 Ų137101.9 Ų101.973%0.73354%0.539SS*.SBendtrans-84.8-7.1-157.6-76.1-21.4000117.8
5D39Very low55.2Low145 Ų14596.3 Ų96.378%0.77551%0.509SS*.SBendtrans-113.3-11.1177.8-79.7-30.8000115.1S3S3-D5 PolarHBondContact O-N 3.41Å
6T42.7Very low57.7Low97 Ų9790.3 Ų90.360%0.59548%0.477SS*.SBendtrans-84.1-10.1-174.838.10000115.4
7F45.3Very low59.9Low37 Ų3785.1 Ų85.116%0.16245%0.45CS..SBendtrans-106.6-23-173.9-110.2-89.2000115N9 L39 E87 Y88F7-N9 PolarHBondContact O-N 2.7Å; F7-L39 HydrophobicContact CD1-CD2 4.49Å; F7-E87 HydrophobicContact CE2-CB 4.33Å; F7-E87 VanDerWaalsContact CE2-OE2 3.26Å; F7-E87 WeakPolarHBondContact CE2-OE2 3.4Å; F7-E87 HydrophobicContact CZ-CB 3.95Å; F7-E87 WeakPolarHBondContact CZ-OE2 3.45Å; F7-Y88 HydrophobicContact CE1-CD1 4.22Å; F7-Y88 AromaticContact CE1-CE1 3.88Å; F7-Y88 HydrophobicContact CE1-CE1 3.88Å; F7-Y88 HydrophobicContact CE1-CE2 4.44Å; F7-Y88 AromaticContact CE1-CZ 3.98Å; F7-Y88 HydrophobicContact CZ-CE1 4.44Å; F7-Y88 HydrophobicContact CZ-CE2 4.21Å
8K45.7Very low61.8Low143 Ų14380.8 Ų80.862%0.62243%0.427SS*.THydrogen-bonded Turntrans-65124.9173.9-74.7177.8176.7171.70109
9N49.6Very low63.3Low132 Ų13280.5 Ų80.571%0.70643%0.426SS*.THydrogen-bonded Turntrans77.227.1178.4-49.8-25.5000117.4F7 N11F7-N9 PolarHBondContact O-N 2.7Å; N9-N11 PolarHBondContact O-N 2.67Å
10R59.8Low64.7Low111 Ų11177.7 Ų77.742%0.41942%0.417SS..  trans-77.6106.7166.3-84-172.4175.1178.6-1.5110.8Q12R10-Q12 PolarHBondContact O-N 3.48Å
11N67.5Low66.1Low101 Ų10178.1 Ų78.154%0.5442%0.422SS..EExtended strand (participates in β ladder)trans-60.9115167.9-117.6-18.2000109.7N9 D40N9-N11 PolarHBondContact O-N 2.67Å; N11-D40 CarbonylContact C-O 3.6Å; N11-D40 WeakPolarHBondContact CA-O 3Å
12Q80Confident69.1Low15 Ų1569 Ų697%0.0738%0.376CS..EExtended strand (participates in β ladder)trans-103.1119.1173.4-70.2-62.3-33.400110.6R10 I14 D40 L41 S42 Y88 V174R10-Q12 PolarHBondContact O-N 3.48Å; Q12-I14 PolarHBondContact O-N 2.96Å; Q12-D40 PolarHBondContact N-O 2.7Å; Q12-L41 HydrophobicContact CB-CD2 3.88Å; Q12-S42 PolarHBondContact O-N 2.6Å; Q12-Y88 HydrophobicContact CG-CE1 4.04Å; Q12-Y88 PolarHBondContact NE2-OH 2.79Å; Q12-V174 HydrophobicContact CG-CG1 4.45Å
13N86.3Confident72.1Confident82 Ų8265.2 Ų65.244%0.43935%0.345SS..EExtended strand (participates in β ladder)trans-80.9117.1169.9-65.9-10.3000109.2L15 S42 R181N13-L15 HydrophobicContact CB-CG 4.48Å; N13-S42 WeakPolarHBondContact CA-O 3.26Å; N13-R181 PolarHBondContact O-NH2 3.45Å
14I90.4Very high74.8Confident0 Ų068.6 Ų68.60%036%0.355CS..EExtended strand (participates in β ladder)trans-100.6107.3176.1-54.6-66.5000106.8Q12 S42 V43 F44 M173 V174 T177 P197Q12-I14 PolarHBondContact O-N 2.96Å; I14-S42 PolarHBondContact N-O 3.36Å; I14-V43 HydrophobicContact CB-CB 4.41Å; I14-V43 HydrophobicContact CB-CG1 4.36Å; I14-V43 HydrophobicContact CB-CG2 4.08Å; I14-V43 HydrophobicContact CG1-CG2 4.14Å; I14-V43 HydrophobicContact CG2-CG1 4.25Å; I14-F44 PolarHBondContact O-N 3.48Å; I14-M173 HydrophobicContact CG2-CB 4.32Å; I14-M173 HydrophobicContact CG2-CG 4.47Å; I14-M173 HydrophobicContact CG2-SD 4.49Å; I14-V174 HydrophobicContact CD1-CG2 4.25Å; I14-T177 HydrophobicContact CD1-CG2 4.1Å; I14-T177 VanDerWaalsContact CD1-OG1 3.26Å; I14-T177 WeakPolarHBondContact CD1-OG1 3.32Å; I14-P197 HydrophobicContact CG2-CB 3.58Å; I14-P197 HydrophobicContact CG2-CG 3.83Å
15L92.6Very high77Confident17 Ų1763.8 Ų63.89%0.08933%0.331CS..  trans-115.7146.2-174.1-60.8178.7000110.8N13 F22 E24 F44N13-L15 HydrophobicContact CB-CG 4.48Å; L15-F22 HydrophobicContact CB-CB 4.38Å; L15-F22 HydrophobicContact CB-CD1 4.21Å; L15-F22 HydrophobicContact CD1-CB 4.19Å; L15-E24 WeakPolarHBondContact CD1-OE1 3.41Å; L15-F44 HydrophobicContact CD2-CB 3.97Å; L15-F44 HydrophobicContact CD2-CD1 4.41Å
16P94.2Very high79.1Confident1 Ų158.7 Ų58.71%0.00631%0.313CS..  trans-60.8139.8167.2-17.731.7000110.4F22 I23 F44 C46 F195 L196 P197P16-F22 CarbonylContact O-C 3.45Å; P16-F22 WeakPolarHBondContact O-CA 3.34Å; P16-I23 HydrophobicContact CB-CB 4.36Å; P16-I23 HydrophobicContact CB-CD1 4.32Å; P16-I23 HydrophobicContact CB-CG1 4.46Å; P16-I23 PolarHBondContact O-N 2.86Å; P16-F44 WeakPolarHBondContact CD-O 3.23Å; P16-F44 HydrophobicContact CG-CD1 4.02Å; P16-F44 HydrophobicContact CG-CE1 4.37Å; P16-F44 WeakPolarHBondContact CG-O 3.18Å; P16-C46 HydrophobicContact CG-CB 4.35Å; P16-F195 CarbonylContact C-O 3.49Å; P16-F195 WeakPolarHBondContact CA-O 3.49Å; P16-L196 HydrophobicContact CB-CD2 4.18Å; P16-P197 HydrophobicContact CG-CG 4.37Å
17Y95.6Very high80.5Confident2 Ų261.6 Ų61.61%0.00833%0.33CS..EExtended strand (participates in β ladder)trans-116.9115173.3177.6-99.7000108.7G20 V21 F22 T180 H184 P188 F193 S194 F195Y17-G20 VanDerWaalsContact CE2-C 3.45Å; Y17-G20 WeakPolarHBondContact OH-CA 2.8Å; Y17-V21 WeakPolarHBondContact CA-O 3.31Å; Y17-V21 WeakPolarHBondContact CD2-O 3.34Å; Y17-F22 HydrophobicContact CD2-CD1 4.08Å; Y17-F22 HydrophobicContact CD2-CD2 4.02Å; Y17-F22 HydrophobicContact CD2-CE1 4.01Å; Y17-F22 AromaticContact CD2-CE2 3.94Å; Y17-F22 HydrophobicContact CD2-CE2 3.94Å; Y17-F22 HydrophobicContact CD2-CG 4.09Å; Y17-F22 AromaticContact CD2-CZ 3.94Å; Y17-F22 HydrophobicContact CD2-CZ 3.94Å; Y17-F22 HydrophobicContact CE2-CD2 4.47Å; Y17-F22 HydrophobicContact CE2-CE2 4.26Å; Y17-F22 HydrophobicContact CG-CE1 4.37Å; Y17-T180 HydrophobicContact CD1-CG2 3.92Å; Y17-T180 HydrophobicContact CD2-CG2 4.25Å; Y17-T180 HydrophobicContact CG-CG2 3.66Å; Y17-H184 HydrophobicContact CE2-CB 3.99Å; Y17-H184 AromaticContact CE2-CG 3.97Å; Y17-H184 AromaticContact CE2-ND1 3.51Å; Y17-H184 AromaticContact CZ-ND1 3.94Å; Y17-H184 PolarHBondContact OH-ND1 3.25Å; Y17-P188 WeakPolarHBondContact OH-CG 3.27Å; Y17-F193 AromaticContact CD1-CD1 3.92Å; Y17-F193 HydrophobicContact CD1-CD1 3.92Å; Y17-F193 HydrophobicContact CD1-CE1 4.33Å; Y17-F193 AromaticContact CE1-CD1 3.93Å; Y17-F193 HydrophobicContact CE1-CD1 3.93Å; Y17-F193 WeakPolarHBondContact CE1-O 3.32Å; Y17-S194 CarbonylContact O-C 3.5Å; Y17-S194 WeakPolarHBondContact O-CA 3.38Å; Y17-S194 WeakPolarHBondContact O-CB 3.44Å; Y17-F195 PolarHBondContact N-O 3.02Å; Y17-F195 PolarHBondContact O-N 3.1Å
18V93.7Very high81.8Confident7 Ų769.6 Ų69.64%0.04236%0.364CS..EExtended strand (participates in β ladder)trans-141.5139.2-178.4-174.50000108.6G20 V21 I23 I49 A53 L56 L196V18-G20 VanDerWaalsContact C-N 3.26Å; V18-G20 PolarHBondContact O-N 3.02Å; V18-V21 PolarHBondContact N-O 3.48Å; V18-V21 VanDerWaalsContact O-CG2 3.29Å; V18-V21 WeakPolarHBondContact O-CG2 3.28Å; V18-V21 PolarHBondContact O-N 2.77Å; V18-I23 HydrophobicContact CB-CD1 4.07Å; V18-I23 HydrophobicContact CG2-CD1 3.97Å; V18-I49 HydrophobicContact CG1-CG2 4.5Å; V18-I49 HydrophobicContact CG2-CG2 3.93Å; V18-A53 HydrophobicContact CG1-CB 4.19Å; V18-A53 HydrophobicContact CG2-CB 4.4Å; V18-L56 HydrophobicContact CG1-CD1 3.75Å; V18-L196 HydrophobicContact CG2-CD2 3.65Å
19N90.6Very high83.4Confident76 Ų7666.4 Ų66.441%0.40636%0.355SS..THydrogen-bonded Turntrans52.839.7175.5-161.235.2000114.5V21 L56N19-V21 PolarHBondContact O-N 2.98Å; N19-L56 HydrophobicContact CB-CD1 4.12Å
20G91.8Very high84.8Confident23 Ų2364.2 Ų64.224%0.23735%0.35CS..THydrogen-bonded Turntrans86.3-0.6175.400000115.6Y17 V18 H184Y17-G20 VanDerWaalsContact CE2-C 3.45Å; Y17-G20 WeakPolarHBondContact OH-CA 2.8Å; V18-G20 VanDerWaalsContact C-N 3.26Å; V18-G20 PolarHBondContact O-N 3.02Å; G20-H184 PolarHBondContact O-CE1 3.36Å; G20-H184 PolarHBondContact O-ND1 3Å
21V93.9Very high85.9Confident88 Ų8862.8 Ų62.853%0.53335%0.349SS..EExtended strand (participates in β ladder)trans-131.2147.8-176.2-65.60000112.3Y17 V18 N19Y17-V21 WeakPolarHBondContact CA-O 3.31Å; Y17-V21 WeakPolarHBondContact CD2-O 3.34Å; V18-V21 PolarHBondContact N-O 3.48Å; V18-V21 VanDerWaalsContact O-CG2 3.29Å; V18-V21 WeakPolarHBondContact O-CG2 3.28Å; V18-V21 PolarHBondContact O-N 2.77Å; N19-V21 PolarHBondContact O-N 2.98Å
22F93.9Very high86.7Confident51 Ų5160.1 Ų60.122%0.22434%0.335CS..EExtended strand (participates in β ladder)trans-79.6128.2165.5-68.4-83.6000109L15 P16 Y17 E24 T180 R181 H184L15-F22 HydrophobicContact CB-CB 4.38Å; L15-F22 HydrophobicContact CB-CD1 4.21Å; L15-F22 HydrophobicContact CD1-CB 4.19Å; P16-F22 CarbonylContact O-C 3.45Å; P16-F22 WeakPolarHBondContact O-CA 3.34Å; Y17-F22 HydrophobicContact CD2-CD1 4.08Å; Y17-F22 HydrophobicContact CD2-CD2 4.02Å; Y17-F22 HydrophobicContact CD2-CE1 4.01Å; Y17-F22 AromaticContact CD2-CE2 3.94Å; Y17-F22 HydrophobicContact CD2-CE2 3.94Å; Y17-F22 HydrophobicContact CD2-CG 4.09Å; Y17-F22 AromaticContact CD2-CZ 3.94Å; Y17-F22 HydrophobicContact CD2-CZ 3.94Å; Y17-F22 HydrophobicContact CE2-CD2 4.47Å; Y17-F22 HydrophobicContact CE2-CE2 4.26Å; Y17-F22 HydrophobicContact CG-CE1 4.37Å; F22-E24 PolarHBondContact O-N 3.22Å; F22-T180 HydrophobicContact CE1-CG2 3.77Å; F22-T180 HydrophobicContact CZ-CG2 3.87Å; F22-R181 HydrophobicContact CE1-CG 4.44Å; F22-R181 HydrophobicContact CE2-CG 4.35Å; F22-R181 HydrophobicContact CZ-CG 3.73Å; F22-H184 HydrophobicContact CE2-CB 4.07Å; F22-H184 AromaticContact CE2-CD2 3.98Å; F22-H184 AromaticContact CE2-CG 3.93Å; F22-H184 HydrophobicContact CZ-CB 4.42Å
23I92.3Very high86.8Confident45 Ų4567.4 Ų67.423%0.23137%0.367CS..  trans-84.9113.7-178.9-53.4-175.4000108.3P16 V18 F44 I49P16-I23 HydrophobicContact CB-CB 4.36Å; P16-I23 HydrophobicContact CB-CD1 4.32Å; P16-I23 HydrophobicContact CB-CG1 4.46Å; P16-I23 PolarHBondContact O-N 2.86Å; V18-I23 HydrophobicContact CB-CD1 4.07Å; V18-I23 HydrophobicContact CG2-CD1 3.97Å; I23-F44 HydrophobicContact CG2-CE1 4.06Å; I23-I49 HydrophobicContact CD1-CD1 3.47Å; I23-I49 VanDerWaalsContact CD1-CD1 3.47Å; I23-I49 HydrophobicContact CD1-CG2 4.38Å
24E88.3Confident86.7Confident131 Ų13165 Ų6561%0.61235%0.353SS*.PPolyproline II helixtrans-78.4139.9174.7-65.3-65.4163.100110.6L15 F22L15-E24 WeakPolarHBondContact CD1-OE1 3.41Å; F22-E24 PolarHBondContact O-N 3.22Å
25P84.7Confident86Confident36 Ų3671.7 Ų71.723%0.23438%0.384CS..PPolyproline II helixtrans-65.6134.1175.924.9-30.6000110.9D29 I31 F44P25-D29 HydrophobicContact CB-CB 3.95Å; P25-I31 HydrophobicContact CB-CD1 4.12Å; P25-I31 HydrophobicContact CB-CG1 4.14Å; P25-I31 HydrophobicContact CG-CD1 3.64Å; P25-I31 HydrophobicContact CG-CG1 4.12Å; P25-F44 HydrophobicContact CB-CD1 4.04Å; P25-F44 HydrophobicContact CB-CD2 3.99Å; P25-F44 HydrophobicContact CB-CE1 4.22Å; P25-F44 HydrophobicContact CB-CE2 4.2Å; P25-F44 HydrophobicContact CB-CG 3.93Å; P25-F44 HydrophobicContact CB-CZ 4.29Å; P25-F44 HydrophobicContact CG-CG 4.47Å
26G81.5Confident85.2Confident38 Ų3871.4 Ų71.439%0.39238%0.384SS..PPolyproline II helixtrans-70.8169.1169.400000112.2K28 D29G26-K28 PolarHBondContact O-N 3.24Å; G26-D29 WeakPolarHBondContact CA-OD2 3.43Å; G26-D29 PolarHBondContact N-OD2 2.86Å; G26-D29 WeakPolarHBondContact O-CB 3.41Å; G26-D29 PolarHBondContact O-N 3.04Å
27V73.5Confident84.2Confident158 Ų15872.3 Ų72.396%0.95839%0.393SS*.THydrogen-bonded Turntrans-57.5-24.8-176.1-175.10000113.6
28K72.3Confident83.2Confident204 Ų20474.5 Ų74.589%0.88741%0.409SS*.THydrogen-bonded Turntrans-101.5-2.7-178.6-66.7-174178.3-179.20113.8G26G26-K28 PolarHBondContact O-N 3.24Å
29D79.5Confident82.6Confident77 Ų7774.2 Ų74.241%0.41241%0.407SS..  trans-81137.7-173.4-68-19.9000110.8P25 G26 F44P25-D29 HydrophobicContact CB-CB 3.95Å; G26-D29 WeakPolarHBondContact CA-OD2 3.43Å; G26-D29 PolarHBondContact N-OD2 2.86Å; G26-D29 WeakPolarHBondContact O-CB 3.41Å; G26-D29 PolarHBondContact O-N 3.04Å; D29-F44 HydrophobicContact CB-CD2 4.32Å; D29-F44 HydrophobicContact CB-CE2 3.61Å; D29-F44 HydrophobicContact CB-CZ 4.12Å; D29-F44 WeakPolarHBondContact OD2-CZ 3.29Å
30S77.6Confident82.2Confident86 Ų8673.1 Ų73.160%0.60140%0.401SS*.  trans-78.6129.5177.355.20000110.5
31I83.4Confident81.9Confident80 Ų8072.1 Ų72.141%0.4139%0.39SS..  trans-110.6120.5172.2-57.1172.7000107.6P25P25-I31 HydrophobicContact CB-CD1 4.12Å; P25-I31 HydrophobicContact CB-CG1 4.14Å; P25-I31 HydrophobicContact CG-CD1 3.64Å; P25-I31 HydrophobicContact CG-CG1 4.12Å
32D83.9Confident81.6Confident45 Ų4568.4 Ų68.424%0.24137%0.368CS..EExtended strand (participates in β ladder)trans-82.3121.9176.7-69.3-66.5000109.7I34 S42 V43 F199D32-I34 HydrophobicContact CB-CD1 3.87Å; D32-I34 HydrophobicContact CB-CG1 4.49Å; D32-S42 CarbonylContact O-C 3.58Å; D32-S42 WeakPolarHBondContact O-CA 3.43Å; D32-V43 PolarHBondContact N-O 2.67Å; D32-V43 PolarHBondContact O-N 2.96Å; D32-F199 HydrophobicContact CB-CD1 3.76Å; D32-F199 HydrophobicContact CB-CE1 4.05Å; D32-F199 HydrophobicContact CB-CG 4.03Å; D32-F199 WeakPolarHBondContact OD2-CD1 3.42Å
33K83.5Confident81.3Confident169 Ų16966 Ų6674%0.73536%0.358SS*.EExtended strand (participates in β ladder)trans-98.1118175.1-67.7-173.7179.3-178.10110.2L41K33-L41 CarbonylContact C-O 3.46Å; K33-L41 VanDerWaalsContact CA-O 3.27Å; K33-L41 WeakPolarHBondContact CA-O 3.21Å
34I82.5Confident81.2Confident32 Ų3264.2 Ų64.216%0.16435%0.348CS..EExtended strand (participates in β ladder)trans-137.9140-173.6-53128000108.9D32 V36 L41 V43 L170 F199D32-I34 HydrophobicContact CB-CD1 3.87Å; D32-I34 HydrophobicContact CB-CG1 4.49Å; I34-V36 HydrophobicContact CG2-CG2 4.2Å; I34-L41 PolarHBondContact N-O 3.21Å; I34-L41 WeakPolarHBondContact O-CA 3.31Å; I34-L41 WeakPolarHBondContact O-CB 3.33Å; I34-L41 PolarHBondContact O-N 3.43Å; I34-V43 HydrophobicContact CD1-CB 4.35Å; I34-V43 HydrophobicContact CD1-CG2 3.87Å; I34-L170 HydrophobicContact CD1-CD2 4.08Å; I34-L170 HydrophobicContact CG2-CD1 4.25Å; I34-F199 HydrophobicContact CD1-CD2 3.3Å; I34-F199 HydrophobicContact CD1-CE1 4.39Å; I34-F199 HydrophobicContact CD1-CE2 3.09Å; I34-F199 HydrophobicContact CD1-CG 4.07Å; I34-F199 HydrophobicContact CD1-CZ 3.69Å; I34-F199 HydrophobicContact CG1-CD2 4.25Å; I34-F199 HydrophobicContact CG1-CE2 3.54Å; I34-F199 HydrophobicContact CG1-CZ 3.76Å
35Q77.3Confident81Confident139 Ų13959.2 Ų59.265%0.6533%0.328SS*.EExtended strand (participates in β ladder)trans-93128.8169.7-167.71791.100109.6G37 L39Q35-G37 PolarHBondContact NE2-O 2.91Å; Q35-L39 CarbonylContact C-O 3.58Å; Q35-L39 WeakPolarHBondContact CA-O 3.47Å
36V75.5Confident80.7Confident12 Ų1258.9 Ų58.97%0.07333%0.326CS..EExtended strand (participates in β ladder)trans-125.3105.5174.5179.80000107.7I34 S38 L39 L41 L170 R171I34-V36 HydrophobicContact CG2-CG2 4.2Å; V36-S38 PolarHBondContact O-N 2.93Å; V36-L39 PolarHBondContact N-O 3Å; V36-L39 WeakPolarHBondContact O-CB 3.48Å; V36-L39 PolarHBondContact O-N 3.39Å; V36-L41 HydrophobicContact CB-CD1 3.86Å; V36-L41 HydrophobicContact CB-CG 4.39Å; V36-L41 HydrophobicContact CG2-CD1 3.43Å; V36-L41 VanDerWaalsContact CG2-CD1 3.43Å; V36-L41 HydrophobicContact CG2-CG 4.19Å; V36-L170 HydrophobicContact CG2-CB 3.95Å; V36-R171 HydrophobicContact CG1-CG 4.29Å
37G72.3Confident80.6Confident19 Ų1962.7 Ų62.720%0.19633%0.333CS..THydrogen-bonded Turntrans54.3-120.8-169.600000112.9Q35 L39 E94Q35-G37 PolarHBondContact NE2-O 2.91Å; G37-L39 VanDerWaalsContact C-N 3.29Å; G37-L39 PolarHBondContact O-N 3.18Å; G37-E94 WeakPolarHBondContact CA-OE1 3.35Å
38S75.1Confident81Confident49 Ų4959.8 Ų59.834%0.34332%0.32SS..THydrogen-bonded Turntrans-83.4-0.8179.163.20000114.4V36V36-S38 PolarHBondContact O-N 2.93Å
39L80.2Confident81.6Confident0 Ų051.2 Ų51.20%028%0.284CS..EExtended strand (participates in β ladder)trans-107.3134.6-172.3-61.1170.7000112.1F7 Q35 V36 G37 L41 Y88 A91 V174F7-L39 HydrophobicContact CD1-CD2 4.49Å; Q35-L39 CarbonylContact C-O 3.58Å; Q35-L39 WeakPolarHBondContact CA-O 3.47Å; V36-L39 PolarHBondContact N-O 3Å; V36-L39 WeakPolarHBondContact O-CB 3.48Å; V36-L39 PolarHBondContact O-N 3.39Å; G37-L39 VanDerWaalsContact C-N 3.29Å; G37-L39 PolarHBondContact O-N 3.18Å; L39-L41 HydrophobicContact CB-CD2 3.98Å; L39-Y88 HydrophobicContact CD1-CD1 4.46Å; L39-A91 HydrophobicContact CD1-CB 3.83Å; L39-A91 HydrophobicContact CD2-CB 4.09Å; L39-A91 HydrophobicContact CG-CB 3.92Å; L39-V174 HydrophobicContact CD1-CB 4.3Å; L39-V174 HydrophobicContact CD1-CG1 3.9Å; L39-V174 HydrophobicContact CD1-CG2 4.04Å
40D83.6Confident81.9Confident53 Ų5349 Ų4928%0.28327%0.272SS..EExtended strand (participates in β ladder)trans-92.5120.6166.3-69.2-40.8000109.5N11 Q12N11-D40 CarbonylContact C-O 3.6Å; N11-D40 WeakPolarHBondContact CA-O 3Å; Q12-D40 PolarHBondContact N-O 2.7Å
41L85.2Confident82.4Confident2 Ų248.5 Ų48.51%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-108.3135.7-176.9-51.4-173.3000110.5Q12 K33 I34 V36 L39 V43 V174Q12-L41 HydrophobicContact CB-CD2 3.88Å; K33-L41 CarbonylContact C-O 3.46Å; K33-L41 VanDerWaalsContact CA-O 3.27Å; K33-L41 WeakPolarHBondContact CA-O 3.21Å; I34-L41 PolarHBondContact N-O 3.21Å; I34-L41 WeakPolarHBondContact O-CA 3.31Å; I34-L41 WeakPolarHBondContact O-CB 3.33Å; I34-L41 PolarHBondContact O-N 3.43Å; V36-L41 HydrophobicContact CB-CD1 3.86Å; V36-L41 HydrophobicContact CB-CG 4.39Å; V36-L41 HydrophobicContact CG2-CD1 3.43Å; V36-L41 VanDerWaalsContact CG2-CD1 3.43Å; V36-L41 HydrophobicContact CG2-CG 4.19Å; L39-L41 HydrophobicContact CB-CD2 3.98Å; L41-V43 HydrophobicContact CB-CG2 4.12Å; L41-V174 HydrophobicContact CD1-CG2 3.61Å; L41-V174 HydrophobicContact CD2-CG2 3.34Å; L41-V174 HydrophobicContact CG-CG2 4.12Å
42S88.4Confident82.8Confident11 Ų1150.3 Ų50.38%0.07727%0.273CS..EExtended strand (participates in β ladder)trans-112.3101.8166-68.50000107.9Q12 N13 I14 D32Q12-S42 PolarHBondContact O-N 2.6Å; N13-S42 WeakPolarHBondContact CA-O 3.26Å; I14-S42 PolarHBondContact N-O 3.36Å; D32-S42 CarbonylContact O-C 3.58Å; D32-S42 WeakPolarHBondContact O-CA 3.43Å
43V87.6Confident83.1Confident0 Ų048.1 Ų48.10%026%0.262CS..EExtended strand (participates in β ladder)trans-99.6119.8-173.9-174.10000110.1I14 D32 I34 L41 M173 P197 F199I14-V43 HydrophobicContact CB-CB 4.41Å; I14-V43 HydrophobicContact CB-CG1 4.36Å; I14-V43 HydrophobicContact CB-CG2 4.08Å; I14-V43 HydrophobicContact CG1-CG2 4.14Å; I14-V43 HydrophobicContact CG2-CG1 4.25Å; D32-V43 PolarHBondContact N-O 2.67Å; D32-V43 PolarHBondContact O-N 2.96Å; I34-V43 HydrophobicContact CD1-CB 4.35Å; I34-V43 HydrophobicContact CD1-CG2 3.87Å; L41-V43 HydrophobicContact CB-CG2 4.12Å; V43-M173 HydrophobicContact CG1-CE 4.47Å; V43-M173 HydrophobicContact CG1-SD 4.08Å; V43-M173 HydrophobicContact CG2-SD 4.17Å; V43-P197 HydrophobicContact CG1-CB 4.24Å; V43-F199 HydrophobicContact CG1-CB 4.35Å
44F89.4Confident83.4Confident8 Ų842.1 Ų42.14%0.03524%0.237CC..  trans-97.2106.7167.6177.3-136.2000109.4I14 L15 P16 I23 P25 D29 C46I14-F44 PolarHBondContact O-N 3.48Å; L15-F44 HydrophobicContact CD2-CB 3.97Å; L15-F44 HydrophobicContact CD2-CD1 4.41Å; P16-F44 WeakPolarHBondContact CD-O 3.23Å; P16-F44 HydrophobicContact CG-CD1 4.02Å; P16-F44 HydrophobicContact CG-CE1 4.37Å; P16-F44 WeakPolarHBondContact CG-O 3.18Å; I23-F44 HydrophobicContact CG2-CE1 4.06Å; P25-F44 HydrophobicContact CB-CD1 4.04Å; P25-F44 HydrophobicContact CB-CD2 3.99Å; P25-F44 HydrophobicContact CB-CE1 4.22Å; P25-F44 HydrophobicContact CB-CE2 4.2Å; P25-F44 HydrophobicContact CB-CG 3.93Å; P25-F44 HydrophobicContact CB-CZ 4.29Å; P25-F44 HydrophobicContact CG-CG 4.47Å; D29-F44 HydrophobicContact CB-CD2 4.32Å; D29-F44 HydrophobicContact CB-CE2 3.61Å; D29-F44 HydrophobicContact CB-CZ 4.12Å; D29-F44 WeakPolarHBondContact OD2-CZ 3.29Å; F44-C46 HydrophobicContact CE1-CB 4.35Å; F44-C46 HydrophobicContact CE2-CB 4.32Å; F44-C46 HydrophobicContact CZ-CB 3.98Å
45S83.1Confident83.8Confident26 Ų2647.4 Ų47.418%0.18226%0.259CS..  trans-102.9116.9-180168.60000110.2P197 F199S45-P197 WeakPolarHBondContact CA-O 3.2Å; S45-F199 PolarHBondContact OG-N 3.2Å
46C80.4Confident84.6Confident28 Ų2842.2 Ų42.219%0.18924%0.236CC..  trans-12377.1-179.7-158.20000111.4P16 F44 S48 I49P16-C46 HydrophobicContact CG-CB 4.35Å; F44-C46 HydrophobicContact CE1-CB 4.35Å; F44-C46 HydrophobicContact CE2-CB 4.32Å; F44-C46 HydrophobicContact CZ-CB 3.98Å; C46-S48 PolarHBondContact O-N 3.28Å; C46-S48 PolarHBondContact SG-OG 3.13Å; C46-I49 HydrophobicContact CB-CD1 3.67Å; C46-I49 HydrophobicContact CB-CG1 4.07Å; C46-I49 PolarHBondContact O-N 2.93Å; C46-I49 VanDerWaalsContact O-N 3.16Å; C46-I49 WeakPolarHBondContact SG-CD1 3.1Å; C46-I49 VanDerWaalsContact SG-CG1 3.58Å
47Q78Confident85.3Confident118 Ų11841.7 Ų41.755%0.55123%0.232SC*.G310 helixtrans-59.3-27.9-177.9-76.7-175.9-15.100113.5I49 N50 I198Q47-I49 PolarHBondContact O-N 3Å; Q47-N50 WeakPolarHBondContact O-CB 3.24Å; Q47-N50 PolarHBondContact O-N 3.42Å; Q47-I198 HydrophobicContact CG-CD1 4.04Å; Q47-I198 HydrophobicContact CG-CG1 4.17Å; Q47-I198 HydrophobicContact CG-CG2 4.13Å
48S81.5Confident86.1Confident98 Ų9846.4 Ų46.469%0.68525%0.249SC*.G310 helixtrans-62.5-20.4178.950.40000113.6C46 P51C46-S48 PolarHBondContact O-N 3.28Å; C46-S48 PolarHBondContact SG-OG 3.13Å; S48-P51 WeakPolarHBondContact O-CD 3.45Å
49I85.9Confident86.9Confident23 Ų2346.3 Ų46.312%0.11825%0.248CC..G310 helixtrans-82.5-18.4-179.5-57177.7000111.6V18 I23 C46 Q47 E52 A53V18-I49 HydrophobicContact CG1-CG2 4.5Å; V18-I49 HydrophobicContact CG2-CG2 3.93Å; I23-I49 HydrophobicContact CD1-CD1 3.47Å; I23-I49 VanDerWaalsContact CD1-CD1 3.47Å; I23-I49 HydrophobicContact CD1-CG2 4.38Å; C46-I49 HydrophobicContact CB-CD1 3.67Å; C46-I49 HydrophobicContact CB-CG1 4.07Å; C46-I49 PolarHBondContact O-N 2.93Å; C46-I49 VanDerWaalsContact O-N 3.16Å; C46-I49 WeakPolarHBondContact SG-CD1 3.1Å; C46-I49 VanDerWaalsContact SG-CG1 3.58Å; Q47-I49 PolarHBondContact O-N 3Å; I49-E52 WeakPolarHBondContact O-CA 3.31Å; I49-E52 WeakPolarHBondContact O-CB 3.4Å; I49-E52 PolarHBondContact O-N 3.46Å; I49-A53 PolarHBondContact O-N 3.01Å
50N85.1Confident87.4Confident32 Ų3246.6 Ų46.617%0.17125%0.25CC..Hα-helixtrans-54.7-48-174.9-166.51.1000113.5Q47 E52 A53 I54 L196Q47-N50 WeakPolarHBondContact O-CB 3.24Å; Q47-N50 PolarHBondContact O-N 3.42Å; N50-E52 PolarHBondContact O-N 3.49Å; N50-A53 PolarHBondContact O-N 3.43Å; N50-I54 WeakPolarHBondContact O-CG1 3.47Å; N50-I54 PolarHBondContact O-N 2.95Å; N50-I54 WeakPolarHBondContact OD1-CD1 3.25Å; N50-L196 HydrophobicContact CB-CD1 3.84Å
51P88.1Confident87.6Confident75 Ų7552 Ų5249%0.48727%0.273SS..Hα-helixtrans-61.1-31.6176.7-21.333.7000113.8S48 K55S48-P51 WeakPolarHBondContact O-CD 3.45Å; P51-K55 WeakPolarHBondContact O-CG 3.42Å; P51-K55 PolarHBondContact O-N 3.43Å
52E91.7Very high87.6Confident117 Ų11755.8 Ų55.855%0.54729%0.288SS..Hα-helixtrans-74.3-44.7176.6-175.1-177.8172.100111.4I49 N50 I54 K55 L56I49-E52 WeakPolarHBondContact O-CA 3.31Å; I49-E52 WeakPolarHBondContact O-CB 3.4Å; I49-E52 PolarHBondContact O-N 3.46Å; N50-E52 PolarHBondContact O-N 3.49Å; E52-I54 VanDerWaalsContact C-N 3.29Å; E52-I54 PolarHBondContact O-N 3.4Å; E52-K55 PolarHBondContact O-N 3.34Å; E52-L56 HydrophobicContact CG-CD1 4.22Å; E52-L56 WeakPolarHBondContact O-CG 2.93Å; E52-L56 PolarHBondContact O-N 2.91Å
53A91.7Very high87.6Confident0 Ų058.8 Ų58.80%030%0.303CS..Hα-helixtrans-58.8-42.2176.300000111.5V18 I49 N50 L56 A57 V164 L196V18-A53 HydrophobicContact CG1-CB 4.19Å; V18-A53 HydrophobicContact CG2-CB 4.4Å; I49-A53 PolarHBondContact O-N 3.01Å; N50-A53 PolarHBondContact O-N 3.43Å; A53-L56 PolarHBondContact O-N 2.95Å; A53-A57 WeakPolarHBondContact O-CB 3.45Å; A53-A57 PolarHBondContact O-N 3.24Å; A53-V164 HydrophobicContact CB-CG1 4.19Å; A53-V164 HydrophobicContact CB-CG2 4.1Å; A53-L196 HydrophobicContact CB-CD1 4Å
54I88.3Confident87.4Confident42 Ų4260.9 Ų60.922%0.21532%0.318CS..Hα-helixtrans-60.1-50.1174.4-71170.1000110.6N50 E52 L56 A57 E58 P129 V164N50-I54 WeakPolarHBondContact O-CG1 3.47Å; N50-I54 PolarHBondContact O-N 2.95Å; N50-I54 WeakPolarHBondContact OD1-CD1 3.25Å; E52-I54 VanDerWaalsContact C-N 3.29Å; E52-I54 PolarHBondContact O-N 3.4Å; I54-L56 VanDerWaalsContact C-N 3.3Å; I54-L56 PolarHBondContact O-N 3.29Å; I54-A57 WeakPolarHBondContact O-CB 2.94Å; I54-A57 PolarHBondContact O-N 3.02Å; I54-E58 HydrophobicContact CG2-CG 4.41Å; I54-E58 WeakPolarHBondContact O-CG 3.31Å; I54-E58 PolarHBondContact O-N 2.97Å; I54-P129 HydrophobicContact CG2-CG 3.88Å; I54-V164 HydrophobicContact CG1-CG2 4.34Å
55K91.4Very high87.4Confident143 Ų14368.1 Ų68.162%0.62235%0.349SS*.Hα-helixtrans-60.1-39.1177.7-76.1175.1-178.5179.10112.8P51 E52 S59P51-K55 WeakPolarHBondContact O-CG 3.42Å; P51-K55 PolarHBondContact O-N 3.43Å; E52-K55 PolarHBondContact O-N 3.34Å; K55-S59 PolarHBondContact O-N 3.5Å; K55-S59 PolarHBondContact O-OG 3.39Å
56L93.4Very high87.7Confident31 Ų3169.7 Ų69.716%0.16236%0.36CS..Hα-helixtrans-63.4-48.5176.1-74.8169.1000110.4V18 N19 E52 A53 I54 E58 S59 F60 K191V18-L56 HydrophobicContact CG1-CD1 3.75Å; N19-L56 HydrophobicContact CB-CD1 4.12Å; E52-L56 HydrophobicContact CG-CD1 4.22Å; E52-L56 WeakPolarHBondContact O-CG 2.93Å; E52-L56 PolarHBondContact O-N 2.91Å; A53-L56 PolarHBondContact O-N 2.95Å; I54-L56 VanDerWaalsContact C-N 3.3Å; I54-L56 PolarHBondContact O-N 3.29Å; L56-E58 PolarHBondContact O-N 3.2Å; L56-S59 CarbonylContact O-C 3.5Å; L56-S59 WeakPolarHBondContact O-CA 3.3Å; L56-S59 PolarHBondContact O-N 2.89Å; L56-S59 PolarHBondContact O-OG 3.22Å; L56-F60 PolarHBondContact O-N 3.05Å; L56-K191 HydrophobicContact CB-CG 4.43Å; L56-K191 HydrophobicContact CD2-CG 4.41Å; L56-K191 WeakPolarHBondContact O-CB 3.47Å
57A91.1Very high88.2Confident0 Ų068.6 Ų68.60%035%0.353CS..Hα-helixtrans-59.1-43.3176.700000112.3A53 I54 S59 F60 P129 H161 G162 V164A53-A57 WeakPolarHBondContact O-CB 3.45Å; A53-A57 PolarHBondContact O-N 3.24Å; I54-A57 WeakPolarHBondContact O-CB 2.94Å; I54-A57 PolarHBondContact O-N 3.02Å; A57-S59 PolarHBondContact O-N 2.98Å; A57-S59 VanDerWaalsContact O-N 3.16Å; A57-F60 WeakPolarHBondContact O-CB 3.46Å; A57-F60 PolarHBondContact O-N 3.08Å; A57-F60 VanDerWaalsContact O-N 3.13Å; A57-P129 HydrophobicContact CB-CB 3.82Å; A57-H161 CarbonylContact O-C 3.59Å; A57-H161 WeakPolarHBondContact O-CA 3.12Å; A57-G162 PolarHBondContact O-N 2.81Å; A57-V164 HydrophobicContact CB-CG2 3.81Å
58E89Confident88.7Confident118 Ų11865.7 Ų65.755%0.55134%0.339SS*.Hα-helixtrans-60.9-22.8174.5-71.5175164.500113.4I54 L56 P129I54-E58 HydrophobicContact CG2-CG 4.41Å; I54-E58 WeakPolarHBondContact O-CG 3.31Å; I54-E58 PolarHBondContact O-N 2.97Å; L56-E58 PolarHBondContact O-N 3.2Å; E58-P129 HydrophobicContact CG-CG 4.1Å
59S91.1Very high89.3Confident47 Ų4763.7 Ų63.733%0.32933%0.325SS..THydrogen-bonded Turntrans-98.716178.975.60000114.1K55 L56 A57 K191K55-S59 PolarHBondContact O-N 3.5Å; K55-S59 PolarHBondContact O-OG 3.39Å; L56-S59 CarbonylContact O-C 3.5Å; L56-S59 WeakPolarHBondContact O-CA 3.3Å; L56-S59 PolarHBondContact O-N 2.89Å; L56-S59 PolarHBondContact O-OG 3.22Å; A57-S59 PolarHBondContact O-N 2.98Å; A57-S59 VanDerWaalsContact O-N 3.16Å; S59-K191 PolarHBondContact O-NZ 2.88Å; S59-K191 WeakPolarHBondContact OG-CD 3.22Å; S59-K191 WeakPolarHBondContact OG-CE 3.43Å; S59-K191 PolarHBondContact OG-NZ 3.45Å
60F90.8Very high89.7Confident6 Ų662.6 Ų62.63%0.02632%0.319CS..PPolyproline II helixtrans-67.2130174.6170.4-114000110.6L56 A57 Y62 P154 S160 P189 N190 K191 L192L56-F60 PolarHBondContact O-N 3.05Å; A57-F60 WeakPolarHBondContact O-CB 3.46Å; A57-F60 PolarHBondContact O-N 3.08Å; A57-F60 VanDerWaalsContact O-N 3.13Å; F60-Y62 HydrophobicContact CE1-CD2 4.5Å; F60-P154 HydrophobicContact CD1-CB 4.35Å; F60-P154 HydrophobicContact CE1-CB 3.82Å; F60-P154 HydrophobicContact CE1-CG 3.87Å; F60-P154 HydrophobicContact CZ-CG 4.45Å; F60-S160 WeakPolarHBondContact O-CB 3.13Å; F60-S160 PolarHBondContact O-OG 3.2Å; F60-P189 HydrophobicContact CE2-CB 3.82Å; F60-P189 HydrophobicContact CZ-CB 4.44Å; F60-N190 WeakPolarHBondContact CD2-O 3.25Å; F60-K191 HydrophobicContact CB-CB 4.38Å; F60-L192 HydrophobicContact CD1-CD1 4.31Å; F60-L192 HydrophobicContact CD2-CB 4.23Å; F60-L192 HydrophobicContact CE1-CD1 3.88Å; F60-L192 HydrophobicContact CE2-CB 4Å; F60-L192 HydrophobicContact CE2-CD1 4.21Å; F60-L192 HydrophobicContact CZ-CB 4.44Å; F60-L192 HydrophobicContact CZ-CD1 3.83Å
61E88.6Confident90.1Very high167 Ų16761.3 Ų61.378%0.7831%0.313SS*.PPolyproline II helixtrans-103.2121.2174.9-69.2-178.1-179.900109.9D63E61-D63 PolarHBondContact O-N 2.66Å
62Y85.4Confident90.4Very high81 Ų8163 Ų6332%0.31831%0.312SS..PPolyproline II helixtrans-77.8122.8-179.6172.7-99.7000112.4F60 L67 Y119 P154 V155 S160F60-Y62 HydrophobicContact CE1-CD2 4.5Å; Y62-L67 HydrophobicContact CD2-CD2 4.21Å; Y62-L67 HydrophobicContact CE2-CD2 3.58Å; Y62-Y119 WeakPolarHBondContact OH-CD1 3.44Å; Y62-Y119 WeakPolarHBondContact OH-CE1 3.16Å; Y62-P154 HydrophobicContact CD2-CG 4.05Å; Y62-P154 HydrophobicContact CE2-CG 4.34Å; Y62-V155 HydrophobicContact CD1-CG2 3.71Å; Y62-V155 HydrophobicContact CD2-CG2 3.22Å; Y62-V155 HydrophobicContact CE1-CG2 4.03Å; Y62-V155 HydrophobicContact CE2-CG2 3.54Å; Y62-V155 HydrophobicContact CG-CG2 3.25Å; Y62-S160 VanDerWaalsContact CB-CB 3.44Å; Y62-S160 PolarHBondContact N-OG 3.39Å
63D87.8Confident90.6Very high74 Ų7462.1 Ų62.140%0.39630%0.304SS..  trans-119.6120.3164.217452.6000110E61 K65 S66 L67E61-D63 PolarHBondContact O-N 2.66Å; D63-K65 PolarHBondContact O-N 3.36Å; D63-S66 WeakPolarHBondContact OD2-CB 3.39Å; D63-S66 PolarHBondContact OD2-N 3.05Å; D63-S66 PolarHBondContact OD2-OG 3.2Å; D63-L67 WeakPolarHBondContact O-CB 3.02Å; D63-L67 PolarHBondContact O-N 3.01Å
64S83.6Confident90.9Very high44 Ų4462.1 Ų62.131%0.30830%0.304SS..Hα-helixtrans-60.9-44.5-17454.90000112.4L67 E68 Y119S64-L67 PolarHBondContact O-N 3.09Å; S64-E68 PolarHBondContact O-N 2.71Å; S64-Y119 VanDerWaalsContact C-OH 3.3Å; S64-Y119 PolarHBondContact O-OH 3.38Å
65K88.4Confident91.2Very high160 Ų16060.8 Ų60.870%0.69630%0.297SS*.Hα-helixtrans-69.4-43.8-176.8-69.6-177.2179.1178.40112.1D63 L67 E68 S69D63-K65 PolarHBondContact O-N 3.36Å; K65-L67 VanDerWaalsContact C-N 3.3Å; K65-L67 PolarHBondContact O-N 3.22Å; K65-E68 PolarHBondContact O-N 2.84Å; K65-S69 WeakPolarHBondContact O-CB 3.34Å; K65-S69 PolarHBondContact O-N 3.18Å
66S90.7Very high91.4Very high59 Ų5955.4 Ų55.441%0.41328%0.282SS..Hα-helixtrans-62.2-41.1176.3-63.10000111D63 F70D63-S66 WeakPolarHBondContact OD2-CB 3.39Å; D63-S66 PolarHBondContact OD2-N 3.05Å; D63-S66 PolarHBondContact OD2-OG 3.2Å; S66-F70 WeakPolarHBondContact O-CB 3.14Å; S66-F70 PolarHBondContact O-N 3.03Å
67L90.2Very high91.6Very high6 Ų655.1 Ų55.13%0.03128%0.283CS..Hα-helixtrans-65-48.6177-169.770.7000111.8Y62 D63 S64 K65 S69 F70 L71 P154 P189 L192Y62-L67 HydrophobicContact CD2-CD2 4.21Å; Y62-L67 HydrophobicContact CE2-CD2 3.58Å; D63-L67 WeakPolarHBondContact O-CB 3.02Å; D63-L67 PolarHBondContact O-N 3.01Å; S64-L67 PolarHBondContact O-N 3.09Å; K65-L67 VanDerWaalsContact C-N 3.3Å; K65-L67 PolarHBondContact O-N 3.22Å; L67-S69 VanDerWaalsContact C-N 3.3Å; L67-S69 PolarHBondContact O-N 3.49Å; L67-F70 HydrophobicContact CD1-CD1 4.09Å; L67-F70 WeakPolarHBondContact O-CB 3.38Å; L67-F70 PolarHBondContact O-N 2.81Å; L67-F70 VanDerWaalsContact O-N 3.16Å; L67-L71 HydrophobicContact CD2-CD1 4.44Å; L67-L71 HydrophobicContact CG-CD1 4.06Å; L67-L71 HydrophobicContact CG-CG 4.29Å; L67-L71 VanDerWaalsContact O-CG 3.3Å; L67-L71 WeakPolarHBondContact O-CG 3.17Å; L67-L71 PolarHBondContact O-N 2.97Å; L67-P154 HydrophobicContact CD1-CG 4.28Å; L67-P154 HydrophobicContact CD2-CG 3.75Å; L67-P189 HydrophobicContact CD1-CG 4.48Å; L67-L192 HydrophobicContact CD1-CD2 3.76Å
68E89.7Confident91.8Very high56 Ų5655.2 Ų55.226%0.26228%0.283SS..Hα-helixtrans-57.8-44.3178.6-167.4-165145.900111.8S64 K65 L71 K72S64-E68 PolarHBondContact O-N 2.71Å; K65-E68 PolarHBondContact O-N 2.84Å; E68-L71 PolarHBondContact O-N 3.31Å; E68-K72 PolarHBondContact O-N 3.12Å; E68-K72 VanDerWaalsContact O-N 3.08Å; E68-K72 WeakPolarHBondContact OE1-CE 3.48Å; E68-K72 IonicContact OE1-NZ 3.84Å; E68-K72 PolarHBondContact OE1-NZ 3.15Å
69S92.4Very high92.1Very high56 Ų5654.4 Ų54.439%0.39228%0.28SS..Hα-helixtrans-62.7-42.3177.6-169.70000111.9K65 L67 R73K65-S69 WeakPolarHBondContact O-CB 3.34Å; K65-S69 PolarHBondContact O-N 3.18Å; L67-S69 VanDerWaalsContact C-N 3.3Å; L67-S69 PolarHBondContact O-N 3.49Å; S69-R73 PolarHBondContact O-N 2.79Å; S69-R73 PolarHBondContact O-NH1 3.49Å; S69-R73 PolarHBondContact OG-NH1 3.48Å
70F94.9Very high92.2Very high0 Ų057.8 Ų57.80%030%0.298CS..Hα-helixtrans-62.4-48.3173.9160.8-110.6000112.1S66 L67 K72 R73 L74 L151 I183 S186 P188 P189 L192S66-F70 WeakPolarHBondContact O-CB 3.14Å; S66-F70 PolarHBondContact O-N 3.03Å; L67-F70 HydrophobicContact CD1-CD1 4.09Å; L67-F70 WeakPolarHBondContact O-CB 3.38Å; L67-F70 PolarHBondContact O-N 2.81Å; L67-F70 VanDerWaalsContact O-N 3.16Å; F70-K72 VanDerWaalsContact C-N 3.32Å; F70-K72 PolarHBondContact O-N 3.47Å; F70-R73 PolarHBondContact O-N 3.45Å; F70-R73 VanDerWaalsContact O-N 3.13Å; F70-L74 HydrophobicContact CE1-CD2 4.08Å; F70-L74 HydrophobicContact CE2-CB 4.26Å; F70-L74 HydrophobicContact CE2-CD2 4.3Å; F70-L74 HydrophobicContact CZ-CB 4.38Å; F70-L74 HydrophobicContact CZ-CD2 3.67Å; F70-L74 WeakPolarHBondContact O-CB 3.43Å; F70-L74 PolarHBondContact O-N 3.3Å; F70-L151 HydrophobicContact CE1-CB 4.35Å; F70-L151 HydrophobicContact CE1-CD1 4.47Å; F70-L151 HydrophobicContact CZ-CD1 4.3Å; F70-I183 HydrophobicContact CE2-CG2 4.4Å; F70-I183 HydrophobicContact CZ-CG2 4.2Å; F70-S186 WeakPolarHBondContact CD2-O 3.38Å; F70-P188 VanDerWaalsContact CD2-CA 3.45Å; F70-P188 HydrophobicContact CD2-CB 4.07Å; F70-P188 HydrophobicContact CE2-CB 3.59Å; F70-P188 HydrophobicContact CZ-CB 3.85Å; F70-P189 HydrophobicContact CB-CG 4.5Å; F70-L192 HydrophobicContact CD1-CD2 4.07Å; F70-L192 HydrophobicContact CE1-CD2 3.75Å; F70-L192 HydrophobicContact CZ-CD2 4.48Å
71L94.6Very high92.4Very high6 Ų658.8 Ų58.83%0.03130%0.303CS..Hα-helixtrans-61-40.7-178.2-67.6172.9000111.9L67 E68 R73 L74 I75 M112 T116L67-L71 HydrophobicContact CD2-CD1 4.44Å; L67-L71 HydrophobicContact CG-CD1 4.06Å; L67-L71 HydrophobicContact CG-CG 4.29Å; L67-L71 VanDerWaalsContact O-CG 3.3Å; L67-L71 WeakPolarHBondContact O-CG 3.17Å; L67-L71 PolarHBondContact O-N 2.97Å; E68-L71 PolarHBondContact O-N 3.31Å; L71-R73 PolarHBondContact O-N 3.07Å; L71-L74 PolarHBondContact O-N 3.37Å; L71-I75 WeakPolarHBondContact O-CD1 3.41Å; L71-I75 VanDerWaalsContact O-CG1 3.29Å; L71-I75 WeakPolarHBondContact O-CG1 3.37Å; L71-I75 PolarHBondContact O-N 2.96Å; L71-M112 HydrophobicContact CB-CE 4.28Å; L71-M112 HydrophobicContact CD2-CE 3.51Å; L71-M112 HydrophobicContact CG-CE 4.49Å; L71-T116 HydrophobicContact CB-CG2 4.01Å; L71-T116 HydrophobicContact CD1-CG2 4.44Å
72K94Very high92.7Very high111 Ų11152.2 Ų52.248%0.48327%0.273SS..Hα-helixtrans-60.1-43.3174.6-77172.5172.1166.70112.4E68 F70 G76E68-K72 PolarHBondContact O-N 3.12Å; E68-K72 VanDerWaalsContact O-N 3.08Å; E68-K72 WeakPolarHBondContact OE1-CE 3.48Å; E68-K72 IonicContact OE1-NZ 3.84Å; E68-K72 PolarHBondContact OE1-NZ 3.15Å; F70-K72 VanDerWaalsContact C-N 3.32Å; F70-K72 PolarHBondContact O-N 3.47Å; K72-G76 PolarHBondContact O-N 2.93Å
73R96.1Very high93Very high98 Ų9852.1 Ų52.137%0.3728%0.284SS..Hα-helixtrans-65.5-44.8174.6-70.9-170.1-61.8-84.10.3111.4S69 F70 L71 I75 G76 S77 S186 V187S69-R73 PolarHBondContact O-N 2.79Å; S69-R73 PolarHBondContact O-NH1 3.49Å; S69-R73 PolarHBondContact OG-NH1 3.48Å; F70-R73 PolarHBondContact O-N 3.45Å; F70-R73 VanDerWaalsContact O-N 3.13Å; L71-R73 PolarHBondContact O-N 3.07Å; R73-I75 PolarHBondContact O-N 3.34Å; R73-G76 PolarHBondContact O-N 3.18Å; R73-S77 WeakPolarHBondContact O-CB 3.31Å; R73-S77 PolarHBondContact O-N 2.82Å; R73-S77 PolarHBondContact O-OG 2.85Å; R73-S186 PolarHBondContact NE-O 3.34Å; R73-S186 PolarHBondContact NH2-O 3.29Å; R73-V187 PolarHBondContact NH2-O 3.13Å
74L96.9Very high93.2Very high0 Ų053 Ų530%028%0.282CS..Hα-helixtrans-60-44.3-179.4179.757.7000112.2F70 L71 S77 L78 M112 L148 L151 I182 I183 S186F70-L74 HydrophobicContact CE1-CD2 4.08Å; F70-L74 HydrophobicContact CE2-CB 4.26Å; F70-L74 HydrophobicContact CE2-CD2 4.3Å; F70-L74 HydrophobicContact CZ-CB 4.38Å; F70-L74 HydrophobicContact CZ-CD2 3.67Å; F70-L74 WeakPolarHBondContact O-CB 3.43Å; F70-L74 PolarHBondContact O-N 3.3Å; L71-L74 PolarHBondContact O-N 3.37Å; L74-S77 PolarHBondContact O-N 3.22Å; L74-L78 HydrophobicContact CD1-CD1 4.1Å; L74-L78 HydrophobicContact CD1-CG 4.08Å; L74-L78 HydrophobicContact CG-CD1 3.95Å; L74-L78 HydrophobicContact CG-CG 4.42Å; L74-L78 WeakPolarHBondContact O-CB 3.38Å; L74-L78 VanDerWaalsContact O-CG 3.27Å; L74-L78 WeakPolarHBondContact O-CG 3.38Å; L74-L78 PolarHBondContact O-N 2.5Å; L74-M112 HydrophobicContact CB-CE 4.18Å; L74-M112 HydrophobicContact CD2-CE 3.68Å; L74-M112 HydrophobicContact CG-CE 3.94Å; L74-L148 HydrophobicContact CD2-CD2 4.12Å; L74-L151 HydrophobicContact CD2-CD1 3.89Å; L74-I182 HydrophobicContact CD1-CG2 4.07Å; L74-I183 HydrophobicContact CD1-CG1 3.98Å; L74-I183 HydrophobicContact CD2-CG1 4.49Å; L74-S186 VanDerWaalsContact CA-OG 3.32Å; L74-S186 WeakPolarHBondContact CA-OG 3.38Å
75I95.6Very high93.7Very high13 Ų1351 Ų517%0.06727%0.268CS..Hα-helixtrans-58.2-50.7175.9-71.8160.5000110.6L71 R73 S77 L78 E79 I109 M112 Q113 T116L71-I75 WeakPolarHBondContact O-CD1 3.41Å; L71-I75 VanDerWaalsContact O-CG1 3.29Å; L71-I75 WeakPolarHBondContact O-CG1 3.37Å; L71-I75 PolarHBondContact O-N 2.96Å; R73-I75 PolarHBondContact O-N 3.34Å; I75-S77 PolarHBondContact O-N 2.89Å; I75-L78 PolarHBondContact O-N 2.88Å; I75-E79 WeakPolarHBondContact O-CG 3.24Å; I75-E79 PolarHBondContact O-N 3.33Å; I75-I109 HydrophobicContact CG2-CG2 3.92Å; I75-M112 HydrophobicContact CD1-CE 4.16Å; I75-M112 HydrophobicContact CD1-CG 4.23Å; I75-M112 HydrophobicContact CD1-SD 4.28Å; I75-M112 HydrophobicContact CG1-CE 3.7Å; I75-M112 HydrophobicContact CG1-CG 4.18Å; I75-M112 HydrophobicContact CG1-SD 3.63Å; I75-Q113 HydrophobicContact CD1-CG 3.83Å; I75-Q113 HydrophobicContact CG1-CG 4.46Å; I75-Q113 HydrophobicContact CG2-CG 3.94Å; I75-T116 HydrophobicContact CD1-CG2 3.79Å
76G95.2Very high93.8Very high30 Ų3044.2 Ų44.231%0.30924%0.239SC..Hα-helixtrans-60.9-42.2177.500000112.9K72 R73 L78 E79 V80K72-G76 PolarHBondContact O-N 2.93Å; R73-G76 PolarHBondContact O-N 3.18Å; G76-L78 PolarHBondContact O-N 3.28Å; G76-E79 PolarHBondContact O-N 3.32Å; G76-V80 VanDerWaalsContact O-CG2 3.31Å; G76-V80 WeakPolarHBondContact O-CG2 3.38Å; G76-V80 PolarHBondContact O-N 2.97Å
77S96.8Very high93.8Very high25 Ų2544.4 Ų44.418%0.17523%0.233CC..Hα-helixtrans-65.5-37.2177.8-59.50000112.6R73 L74 I75 N81 S186R73-S77 WeakPolarHBondContact O-CB 3.31Å; R73-S77 PolarHBondContact O-N 2.82Å; R73-S77 PolarHBondContact O-OG 2.85Å; L74-S77 PolarHBondContact O-N 3.22Å; I75-S77 PolarHBondContact O-N 2.89Å; S77-N81 VanDerWaalsContact O-CB 3.32Å; S77-N81 WeakPolarHBondContact O-CB 3.27Å; S77-N81 PolarHBondContact O-N 3.25Å; S77-N81 PolarHBondContact O-ND2 2.87Å; S77-S186 WeakPolarHBondContact CB-OG 3.47Å; S77-S186 PolarHBondContact OG-OG 2.69Å; S77-S186 VanDerWaalsContact OG-OG 3.09Å
78L96.3Very high93.7Very high3 Ų344.2 Ų44.22%0.01623%0.232CC..Hα-helixtrans-65.5-44.7175.4-76.9165.3000111.5L74 I75 G76 N81 M82 I109 M112 L148 L179 I182L74-L78 HydrophobicContact CD1-CD1 4.1Å; L74-L78 HydrophobicContact CD1-CG 4.08Å; L74-L78 HydrophobicContact CG-CD1 3.95Å; L74-L78 HydrophobicContact CG-CG 4.42Å; L74-L78 WeakPolarHBondContact O-CB 3.38Å; L74-L78 VanDerWaalsContact O-CG 3.27Å; L74-L78 WeakPolarHBondContact O-CG 3.38Å; L74-L78 PolarHBondContact O-N 2.5Å; I75-L78 PolarHBondContact O-N 2.88Å; G76-L78 PolarHBondContact O-N 3.28Å; L78-N81 PolarHBondContact O-N 3.43Å; L78-M82 PolarHBondContact O-N 3.07Å; L78-I109 HydrophobicContact CB-CD1 3.88Å; L78-I109 HydrophobicContact CD1-CG1 4.48Å; L78-M112 HydrophobicContact CD1-SD 4.27Å; L78-L148 HydrophobicContact CD1-CD1 4.08Å; L78-L148 HydrophobicContact CD1-CD2 3.78Å; L78-L179 HydrophobicContact CD2-CD1 3.85Å; L78-I182 HydrophobicContact CD2-CD1 4.46Å; L78-I182 HydrophobicContact CD2-CG2 3.98Å; L78-I182 HydrophobicContact CG-CG2 4.06Å
79E94.2Very high93.7Very high101 Ų10141.6 Ų41.647%0.47222%0.22SC..Hα-helixtrans-62.3-45.2177.7-71.6175.1170.500111.4I75 G76 N81 M82 I109 Q113I75-E79 WeakPolarHBondContact O-CG 3.24Å; I75-E79 PolarHBondContact O-N 3.33Å; G76-E79 PolarHBondContact O-N 3.32Å; E79-N81 PolarHBondContact O-N 2.92Å; E79-M82 PolarHBondContact O-N 3.31Å; E79-I109 HydrophobicContact CG-CD1 4.37Å; E79-I109 HydrophobicContact CG-CG2 4.23Å; E79-Q113 PolarHBondContact OE1-NE2 3.48Å
80V95.2Very high93.4Very high118 Ų11842.3 Ų42.372%0.71522%0.216SC*.Hα-helixtrans-66-37.6179171.40000112.2G76G76-V80 VanDerWaalsContact O-CG2 3.31Å; G76-V80 WeakPolarHBondContact O-CG2 3.38Å; G76-V80 PolarHBondContact O-N 2.97Å
81N95Very high92.9Very high26 Ų2642.6 Ų42.614%0.13922%0.218CC..THydrogen-bonded Turntrans-94.87.9-177.2-72.3-80.7000114S77 L78 E79 S83 R84 L85 I182S77-N81 VanDerWaalsContact O-CB 3.32Å; S77-N81 WeakPolarHBondContact O-CB 3.27Å; S77-N81 PolarHBondContact O-N 3.25Å; S77-N81 PolarHBondContact O-ND2 2.87Å; L78-N81 PolarHBondContact O-N 3.43Å; E79-N81 PolarHBondContact O-N 2.92Å; N81-S83 PolarHBondContact O-N 2.78Å; N81-R84 PolarHBondContact O-N 3.38Å; N81-L85 PolarHBondContact O-N 3.42Å; N81-I182 HydrophobicContact CB-CD1 3.66Å; N81-I182 HydrophobicContact CB-CG1 3.96Å
82M94Very high92.4Very high30 Ų3042.3 Ų42.315%0.14822%0.217CC..Hα-helixtrans-55.6-50.4-175-175.372.27200112.5L78 E79 R84 L85 L86 I105 I109L78-M82 PolarHBondContact O-N 3.07Å; E79-M82 PolarHBondContact O-N 3.31Å; M82-R84 VanDerWaalsContact C-N 3.33Å; M82-R84 PolarHBondContact O-N 2.78Å; M82-L85 PolarHBondContact O-N 3.2Å; M82-L86 HydrophobicContact CG-CD1 3.97Å; M82-L86 HydrophobicContact CG-CG 4.36Å; M82-L86 WeakPolarHBondContact O-CB 3.26Å; M82-L86 VanDerWaalsContact O-CG 3.26Å; M82-L86 WeakPolarHBondContact O-CG 3.5Å; M82-L86 PolarHBondContact O-N 2.83Å; M82-L86 HydrophobicContact SD-CD1 4.44Å; M82-L86 HydrophobicContact SD-CG 4.46Å; M82-I105 HydrophobicContact CE-CB 4.28Å; M82-I105 HydrophobicContact CE-CG2 3.66Å; M82-I105 HydrophobicContact SD-CB 4.1Å; M82-I105 HydrophobicContact SD-CD1 4.46Å; M82-I105 HydrophobicContact SD-CG2 3.72Å; M82-I109 HydrophobicContact CE-CD1 3.37Å
83S92.5Very high91.7Very high79 Ų7937 Ų3755%0.55219%0.194SC*.Hα-helixtrans-57.8-46.9-179.854.50000111.6N81 L85 L86 E87N81-S83 PolarHBondContact O-N 2.78Å; S83-L85 PolarHBondContact O-N 3.48Å; S83-L86 PolarHBondContact O-N 2.91Å; S83-E87 WeakPolarHBondContact O-CG 3.21Å; S83-E87 PolarHBondContact O-N 3.13Å
84R91.5Very high90.9Very high93 Ų9335.6 Ų35.635%0.35119%0.191SC..Hα-helixtrans-61.6-44.7177.4-175.2179.8179.4-173.91.9111.5N81 M82 L86 E87 Y88N81-R84 PolarHBondContact O-N 3.38Å; M82-R84 VanDerWaalsContact C-N 3.33Å; M82-R84 PolarHBondContact O-N 2.78Å; R84-L86 VanDerWaalsContact C-N 3.34Å; R84-L86 PolarHBondContact O-N 2.77Å; R84-E87 WeakPolarHBondContact O-CB 3.5Å; R84-E87 PolarHBondContact O-N 3.46Å; R84-Y88 HydrophobicContact CG-CD2 4.18Å; R84-Y88 HydrophobicContact CG-CE2 3.88Å; R84-Y88 WeakPolarHBondContact O-CD2 3.38Å; R84-Y88 PolarHBondContact O-N 3.09Å
85L92.8Very high89.9Confident2 Ų235.8 Ų35.81%0.0119%0.193CC..Hα-helixtrans-59.7-47.4177.3-178.763000110.8N81 M82 S83 E87 Y88 V89 F140 L144 P175 I178N81-L85 PolarHBondContact O-N 3.42Å; M82-L85 PolarHBondContact O-N 3.2Å; S83-L85 PolarHBondContact O-N 3.48Å; L85-E87 VanDerWaalsContact C-N 3.34Å; L85-E87 PolarHBondContact O-N 3.27Å; L85-Y88 PolarHBondContact O-N 2.78Å; L85-V89 WeakPolarHBondContact O-CG2 3.31Å; L85-V89 PolarHBondContact O-N 2.98Å; L85-F140 HydrophobicContact CD1-CZ 3.91Å; L85-F140 HydrophobicContact CD2-CE1 4.29Å; L85-F140 HydrophobicContact CD2-CZ 4.09Å; L85-F140 HydrophobicContact CG-CE1 4.36Å; L85-F140 HydrophobicContact CG-CZ 4.17Å; L85-L144 HydrophobicContact CD2-CD1 3.97Å; L85-P175 HydrophobicContact CD1-CB 4.49Å; L85-I178 HydrophobicContact CD1-CB 4.12Å; L85-I178 HydrophobicContact CD1-CG2 3.94Å
86L92.2Very high88.9Confident16 Ų1639.8 Ų39.88%0.08421%0.211CC..Hα-helixtrans-63.3-35.8178.9-68.8178.7000113M82 S83 R84 V89 F90 R98 F101 I105M82-L86 HydrophobicContact CG-CD1 3.97Å; M82-L86 HydrophobicContact CG-CG 4.36Å; M82-L86 WeakPolarHBondContact O-CB 3.26Å; M82-L86 VanDerWaalsContact O-CG 3.26Å; M82-L86 WeakPolarHBondContact O-CG 3.5Å; M82-L86 PolarHBondContact O-N 2.83Å; M82-L86 HydrophobicContact SD-CD1 4.44Å; M82-L86 HydrophobicContact SD-CG 4.46Å; S83-L86 PolarHBondContact O-N 2.91Å; R84-L86 VanDerWaalsContact C-N 3.34Å; R84-L86 PolarHBondContact O-N 2.77Å; L86-V89 PolarHBondContact O-N 2.79Å; L86-F90 WeakPolarHBondContact O-CB 3.28Å; L86-F90 PolarHBondContact O-N 3.28Å; L86-R98 HydrophobicContact CB-CG 4.15Å; L86-F101 HydrophobicContact CD2-CB 3.41Å; L86-F101 VanDerWaalsContact CD2-CB 3.41Å; L86-F101 HydrophobicContact CD2-CG 4.39Å; L86-I105 HydrophobicContact CD2-CD1 4.02Å
87E89.4Confident88.1Confident63 Ų6339 Ų3929%0.29420%0.201SC..Hα-helixtrans-59.8-43.2172.3-76.3170.6-178.600112F7 S83 R84 L85 F90 A91F7-E87 HydrophobicContact CE2-CB 4.33Å; F7-E87 VanDerWaalsContact CE2-OE2 3.26Å; F7-E87 WeakPolarHBondContact CE2-OE2 3.4Å; F7-E87 HydrophobicContact CZ-CB 3.95Å; F7-E87 WeakPolarHBondContact CZ-OE2 3.45Å; S83-E87 WeakPolarHBondContact O-CG 3.21Å; S83-E87 PolarHBondContact O-N 3.13Å; R84-E87 WeakPolarHBondContact O-CB 3.5Å; R84-E87 PolarHBondContact O-N 3.46Å; L85-E87 VanDerWaalsContact C-N 3.34Å; L85-E87 PolarHBondContact O-N 3.27Å; E87-F90 PolarHBondContact O-N 2.91Å; E87-A91 VanDerWaalsContact O-CB 3.32Å; E87-A91 WeakPolarHBondContact O-CB 3.4Å; E87-A91 PolarHBondContact O-N 2.88Å
88Y89.1Confident87.6Confident3 Ų341.7 Ų41.71%0.01221%0.207CC..Hα-helixtrans-72.5-33.9177.8-77.4-75.5000113F7 Q12 L39 R84 L85 A91 S92 V174 I178F7-Y88 HydrophobicContact CE1-CD1 4.22Å; F7-Y88 AromaticContact CE1-CE1 3.88Å; F7-Y88 HydrophobicContact CE1-CE1 3.88Å; F7-Y88 HydrophobicContact CE1-CE2 4.44Å; F7-Y88 AromaticContact CE1-CZ 3.98Å; F7-Y88 HydrophobicContact CZ-CE1 4.44Å; F7-Y88 HydrophobicContact CZ-CE2 4.21Å; Q12-Y88 HydrophobicContact CG-CE1 4.04Å; Q12-Y88 PolarHBondContact NE2-OH 2.79Å; L39-Y88 HydrophobicContact CD1-CD1 4.46Å; R84-Y88 HydrophobicContact CG-CD2 4.18Å; R84-Y88 HydrophobicContact CG-CE2 3.88Å; R84-Y88 WeakPolarHBondContact O-CD2 3.38Å; R84-Y88 PolarHBondContact O-N 3.09Å; L85-Y88 PolarHBondContact O-N 2.78Å; Y88-A91 PolarHBondContact O-N 3.13Å; Y88-S92 WeakPolarHBondContact O-CB 3.43Å; Y88-S92 PolarHBondContact O-N 2.9Å; Y88-S92 PolarHBondContact O-OG 3.49Å; Y88-V174 HydrophobicContact CD1-CG1 3.52Å; Y88-V174 HydrophobicContact CE1-CG1 4.29Å; Y88-V174 HydrophobicContact CG-CG1 4.17Å; Y88-I178 HydrophobicContact CD1-CG1 4.31Å; Y88-I178 HydrophobicContact CD2-CD1 3.82Å; Y88-I178 HydrophobicContact CD2-CG1 3.56Å; Y88-I178 HydrophobicContact CD2-CG2 4.4Å; Y88-I178 HydrophobicContact CE1-CD1 4.43Å; Y88-I178 HydrophobicContact CE2-CD1 3.75Å; Y88-I178 HydrophobicContact CE2-CG1 4.05Å; Y88-I178 HydrophobicContact CG-CD1 4.24Å; Y88-I178 HydrophobicContact CG-CG1 3.73Å
89V89Confident87.1Confident1 Ų147.5 Ų47.51%0.00624%0.238CC..Hα-helixtrans-60.9-48.7171.6172.70000109.9L85 L86 S92 L93 F101 F140 P175L85-V89 WeakPolarHBondContact O-CG2 3.31Å; L85-V89 PolarHBondContact O-N 2.98Å; L86-V89 PolarHBondContact O-N 2.79Å; V89-S92 PolarHBondContact O-N 2.79Å; V89-S92 PolarHBondContact O-OG 3.19Å; V89-L93 HydrophobicContact CG1-CD1 3.62Å; V89-L93 HydrophobicContact CG1-CG 4.45Å; V89-L93 VanDerWaalsContact O-CB 3.27Å; V89-L93 WeakPolarHBondContact O-CB 3.28Å; V89-L93 WeakPolarHBondContact O-CG 3.2Å; V89-L93 PolarHBondContact O-N 3.18Å; V89-F101 HydrophobicContact CG1-CD1 4.38Å; V89-F101 HydrophobicContact CG1-CD2 4.2Å; V89-F101 HydrophobicContact CG1-CE1 4.13Å; V89-F101 HydrophobicContact CG1-CE2 3.91Å; V89-F101 HydrophobicContact CG1-CG 4.45Å; V89-F101 HydrophobicContact CG1-CZ 3.91Å; V89-F140 HydrophobicContact CG1-CD1 4.35Å; V89-F140 HydrophobicContact CG2-CD1 3.51Å; V89-F140 HydrophobicContact CG2-CE1 3.52Å; V89-F140 HydrophobicContact CG2-CG 4.08Å; V89-F140 HydrophobicContact CG2-CZ 4.09Å; V89-P175 HydrophobicContact CG2-CB 3.6Å; V89-P175 HydrophobicContact CG2-CG 4.36Å
90F86.2Confident86.9Confident71 Ų7143.3 Ų43.331%0.31122%0.218SC..Hα-helixtrans-58.2-50.2176.1172.5-106.6000111.8L86 E87 S92 E94 F95 E96L86-F90 WeakPolarHBondContact O-CB 3.28Å; L86-F90 PolarHBondContact O-N 3.28Å; E87-F90 PolarHBondContact O-N 2.91Å; F90-S92 VanDerWaalsContact C-N 3.32Å; F90-S92 PolarHBondContact O-N 2.78Å; F90-E94 WeakPolarHBondContact O-CA 2.94Å; F90-E94 PolarHBondContact O-N 3.45Å; F90-F95 VanDerWaalsContact CD2-C 3.45Å; F90-F95 WeakPolarHBondContact CD2-O 3.47Å; F90-F95 VanDerWaalsContact CE2-C 3.49Å; F90-E96 HydrophobicContact CD2-CB 4.15Å; F90-E96 WeakPolarHBondContact CD2-OE2 3.26Å; F90-E96 HydrophobicContact CE2-CB 3.69Å; F90-E96 HydrophobicContact CE2-CG 4.38Å; F90-E96 VanDerWaalsContact CE2-OE2 3.29Å; F90-E96 WeakPolarHBondContact CE2-OE2 3.18Å
91A84.3Confident86.6Confident5 Ų538 Ų384%0.04119%0.186CC..Hα-helixtrans-65.1-33-175.800000113.4L39 E87 Y88L39-A91 HydrophobicContact CD1-CB 3.83Å; L39-A91 HydrophobicContact CD2-CB 4.09Å; L39-A91 HydrophobicContact CG-CB 3.92Å; E87-A91 VanDerWaalsContact O-CB 3.32Å; E87-A91 WeakPolarHBondContact O-CB 3.4Å; E87-A91 PolarHBondContact O-N 2.88Å; Y88-A91 PolarHBondContact O-N 3.13Å
92S84.4Confident86.5Confident0 Ų037.4 Ų37.40%019%0.186CC..Hα-helixtrans-87.8-30.1-179760000114Y88 V89 F90 R171Y88-S92 WeakPolarHBondContact O-CB 3.43Å; Y88-S92 PolarHBondContact O-N 2.9Å; Y88-S92 PolarHBondContact O-OG 3.49Å; V89-S92 PolarHBondContact O-N 2.79Å; V89-S92 PolarHBondContact O-OG 3.19Å; F90-S92 VanDerWaalsContact C-N 3.32Å; F90-S92 PolarHBondContact O-N 2.78Å; S92-R171 VanDerWaalsContact CB-O 3.24Å; S92-R171 WeakPolarHBondContact CB-O 3.5Å; S92-R171 PolarHBondContact OG-O 3.2Å
93L80Confident86.4Confident0 Ų039.8 Ų39.80%020%0.196CC..Hα-helixtrans-91.7-14.4179.1-64.6177.6000113.4V89 F95 F101 C138 R171V89-L93 HydrophobicContact CG1-CD1 3.62Å; V89-L93 HydrophobicContact CG1-CG 4.45Å; V89-L93 VanDerWaalsContact O-CB 3.27Å; V89-L93 WeakPolarHBondContact O-CB 3.28Å; V89-L93 WeakPolarHBondContact O-CG 3.2Å; V89-L93 PolarHBondContact O-N 3.18Å; L93-F95 VanDerWaalsContact C-N 3.3Å; L93-F95 HydrophobicContact CB-CD1 3.71Å; L93-F95 HydrophobicContact CB-CE1 3.4Å; L93-F95 HydrophobicContact CB-CZ 3.99Å; L93-F95 HydrophobicContact CD1-CE1 3.84Å; L93-F95 HydrophobicContact CD1-CZ 3.67Å; L93-F95 HydrophobicContact CD2-CE1 4.46Å; L93-F95 HydrophobicContact CG-CE1 4.1Å; L93-F95 HydrophobicContact CG-CZ 4.41Å; L93-F95 VanDerWaalsContact O-CD1 3.23Å; L93-F95 WeakPolarHBondContact O-CD1 3.35Å; L93-F95 PolarHBondContact O-N 3.38Å; L93-F101 HydrophobicContact CD1-CZ 4.03Å; L93-C138 HydrophobicContact CD2-CB 4.1Å; L93-R171 HydrophobicContact CD2-CB 3.9Å
94E77.7Confident86.4Confident68 Ų6836 Ų3632%0.31817%0.17SC..THydrogen-bonded Turntrans63.528176-52.5179.295.300114.4G37 F90 P282 H312G37-E94 WeakPolarHBondContact CA-OE1 3.35Å; F90-E94 WeakPolarHBondContact O-CA 2.94Å; F90-E94 PolarHBondContact O-N 3.45Å; E94-P282 HydrophobicContact CB-CB 4.28Å; E94-P282 HydrophobicContact CB-CG 4.17Å; E94-H312 PolarHBondContact O-NE2 3.24Å
95F76.3Confident86.5Confident5 Ų531.6 Ų31.62%0.02215%0.153CC..SBendtrans-145.3143.8175.267.1-103.3000112.2F90 L93 S97 F101 A235 M236F90-F95 VanDerWaalsContact CD2-C 3.45Å; F90-F95 WeakPolarHBondContact CD2-O 3.47Å; F90-F95 VanDerWaalsContact CE2-C 3.49Å; L93-F95 VanDerWaalsContact C-N 3.3Å; L93-F95 HydrophobicContact CB-CD1 3.71Å; L93-F95 HydrophobicContact CB-CE1 3.4Å; L93-F95 HydrophobicContact CB-CZ 3.99Å; L93-F95 HydrophobicContact CD1-CE1 3.84Å; L93-F95 HydrophobicContact CD1-CZ 3.67Å; L93-F95 HydrophobicContact CD2-CE1 4.46Å; L93-F95 HydrophobicContact CG-CE1 4.1Å; L93-F95 HydrophobicContact CG-CZ 4.41Å; L93-F95 VanDerWaalsContact O-CD1 3.23Å; L93-F95 WeakPolarHBondContact O-CD1 3.35Å; L93-F95 PolarHBondContact O-N 3.38Å; F95-S97 WeakPolarHBondContact CD2-OG 3.08Å; F95-S97 PolarHBondContact O-N 2.81Å; F95-F101 AromaticContact CE2-CE2 3.63Å; F95-F101 HydrophobicContact CE2-CE2 3.63Å; F95-F101 HydrophobicContact CE2-CZ 4.13Å; F95-F101 AromaticContact CZ-CE2 3.98Å; F95-F101 HydrophobicContact CZ-CE2 3.98Å; F95-F101 HydrophobicContact CZ-CZ 4.02Å; F95-A235 HydrophobicContact CE2-CB 4.45Å; F95-A235 VanDerWaalsContact CZ-CA 3.47Å; F95-A235 HydrophobicContact CZ-CB 4.29Å; F95-M236 HydrophobicContact CB-CG 3.57Å; F95-M236 HydrophobicContact CB-SD 4.2Å; F95-M236 HydrophobicContact CD1-CB 3.98Å; F95-M236 HydrophobicContact CD1-CG 3.25Å; F95-M236 HydrophobicContact CD2-CG 3.89Å; F95-M236 HydrophobicContact CE1-CB 4.05Å; F95-M236 HydrophobicContact CE1-CG 3.81Å; F95-M236 HydrophobicContact CE2-CG 4.42Å; F95-M236 HydrophobicContact CG-CB 4.37Å; F95-M236 HydrophobicContact CG-CG 3.3Å; F95-M236 HydrophobicContact CG-SD 4.48Å; F95-M236 HydrophobicContact CZ-CG 4.4Å
96E74.5Confident86.6Confident97 Ų9736.7 Ų36.745%0.45318%0.177SC..  trans-83.6116.3-177.6-170.756.9-110.500110.8F90 R98F90-E96 HydrophobicContact CD2-CB 4.15Å; F90-E96 WeakPolarHBondContact CD2-OE2 3.26Å; F90-E96 HydrophobicContact CE2-CB 3.69Å; F90-E96 HydrophobicContact CE2-CG 4.38Å; F90-E96 VanDerWaalsContact CE2-OE2 3.29Å; F90-E96 WeakPolarHBondContact CE2-OE2 3.18Å; E96-R98 WeakPolarHBondContact OE1-CB 3.27Å; E96-R98 WeakPolarHBondContact OE1-CG 3.29Å; E96-R98 IonicContact OE1-CZ 2.96Å; E96-R98 PolarHBondContact OE1-N 3.37Å; E96-R98 IonicContact OE1-NE 3.32Å; E96-R98 PolarHBondContact OE1-NE 3.22Å; E96-R98 IonicContact OE1-NH2 2.78Å; E96-R98 IonicContact OE2-CZ 3.88Å; E96-R98 VanDerWaalsContact OE2-CZ 3.32Å; E96-R98 IonicContact OE2-NE 2.77Å; E96-R98 PolarHBondContact OE2-NE 2.67Å; E96-R98 IonicContact OE2-NH2 2.85Å; E96-R98 PolarHBondContact OE2-NH2 2.72Å
97S79.7Confident86.6Confident14 Ų1436.4 Ų36.410%0.09818%0.175CC..  trans-152.326.5174.5-70.20000111.1F95 D99 F100 F101 A235F95-S97 WeakPolarHBondContact CD2-OG 3.08Å; F95-S97 PolarHBondContact O-N 2.81Å; S97-D99 VanDerWaalsContact C-N 3.28Å; S97-D99 PolarHBondContact O-N 3.06Å; S97-F100 PolarHBondContact O-N 3.32Å; S97-F100 VanDerWaalsContact O-N 3.12Å; S97-F101 VanDerWaalsContact O-CD2 3.24Å; S97-F101 WeakPolarHBondContact O-CD2 3.06Å; S97-F101 PolarHBondContact O-N 2.95Å; S97-A235 PolarHBondContact OG-N 2.83Å
98R84.4Confident86.7Confident81 Ų8133.4 Ų33.431%0.30616%0.161SC..Hα-helixtrans-55.6-41.4-172.8-78.5-176.1-96-172.3-9.8112.9L86 E96 F101 G102L86-R98 HydrophobicContact CB-CG 4.15Å; E96-R98 WeakPolarHBondContact OE1-CB 3.27Å; E96-R98 WeakPolarHBondContact OE1-CG 3.29Å; E96-R98 IonicContact OE1-CZ 2.96Å; E96-R98 PolarHBondContact OE1-N 3.37Å; E96-R98 IonicContact OE1-NE 3.32Å; E96-R98 PolarHBondContact OE1-NE 3.22Å; E96-R98 IonicContact OE1-NH2 2.78Å; E96-R98 IonicContact OE2-CZ 3.88Å; E96-R98 VanDerWaalsContact OE2-CZ 3.32Å; E96-R98 IonicContact OE2-NE 2.77Å; E96-R98 PolarHBondContact OE2-NE 2.67Å; E96-R98 IonicContact OE2-NH2 2.85Å; E96-R98 PolarHBondContact OE2-NH2 2.72Å; R98-F101 PolarHBondContact O-N 3.05Å; R98-G102 PolarHBondContact O-N 3.46Å
99D87Confident86.9Confident124 Ų12433.3 Ų33.366%0.66316%0.161SC*.Hα-helixtrans-61.7-48.2177.9-64.8-16.6000111.7S97 G102 E103S97-D99 VanDerWaalsContact C-N 3.28Å; S97-D99 PolarHBondContact O-N 3.06Å; D99-G102 PolarHBondContact O-N 3.24Å; D99-E103 WeakPolarHBondContact O-CG 3.42Å; D99-E103 PolarHBondContact O-N 2.95Å
100F89.2Confident87Confident13 Ų1336.7 Ų36.76%0.05718%0.176CC..Hα-helixtrans-60.8-49.4178.1169.9-94.5000111.6S97 G102 V104 I141 N234 A235 R406 A409S97-F100 PolarHBondContact O-N 3.32Å; S97-F100 VanDerWaalsContact O-N 3.12Å; F100-G102 VanDerWaalsContact C-N 3.35Å; F100-G102 PolarHBondContact O-N 2.79Å; F100-V104 HydrophobicContact CD2-CG2 4.38Å; F100-V104 HydrophobicContact CE1-CG2 4.48Å; F100-V104 HydrophobicContact CE2-CG2 4.05Å; F100-V104 HydrophobicContact CZ-CG2 4.11Å; F100-V104 WeakPolarHBondContact O-CB 3.4Å; F100-V104 VanDerWaalsContact O-CG2 3.27Å; F100-V104 WeakPolarHBondContact O-CG2 3.21Å; F100-V104 PolarHBondContact O-N 2.88Å; F100-V104 VanDerWaalsContact O-N 3.16Å; F100-I141 HydrophobicContact CD1-CD1 4.5Å; F100-I141 HydrophobicContact CE1-CD1 3.86Å; F100-N234 HydrophobicContact CD1-CB 4.14Å; F100-N234 HydrophobicContact CD2-CB 3.86Å; F100-N234 HydrophobicContact CE1-CB 4.31Å; F100-N234 HydrophobicContact CE2-CB 4.05Å; F100-N234 HydrophobicContact CG-CB 3.91Å; F100-N234 HydrophobicContact CZ-CB 4.27Å; F100-A235 HydrophobicContact CE1-CB 4.36Å; F100-R406 HydrophobicContact CD2-CG 3.94Å; F100-R406 HydrophobicContact CE2-CG 4.43Å; F100-A409 HydrophobicContact CE2-CB 3.86Å; F100-A409 HydrophobicContact CZ-CB 3.64Å
101F90.5Very high87Confident8 Ų834.4 Ų34.44%0.03517%0.166CC..Hα-helixtrans-62.2-43.8177.6-79.6-78000111.3L86 V89 L93 F95 S97 R98 V104 I105 F140 I141 A235L86-F101 HydrophobicContact CD2-CB 3.41Å; L86-F101 VanDerWaalsContact CD2-CB 3.41Å; L86-F101 HydrophobicContact CD2-CG 4.39Å; V89-F101 HydrophobicContact CG1-CD1 4.38Å; V89-F101 HydrophobicContact CG1-CD2 4.2Å; V89-F101 HydrophobicContact CG1-CE1 4.13Å; V89-F101 HydrophobicContact CG1-CE2 3.91Å; V89-F101 HydrophobicContact CG1-CG 4.45Å; V89-F101 HydrophobicContact CG1-CZ 3.91Å; L93-F101 HydrophobicContact CD1-CZ 4.03Å; F95-F101 AromaticContact CE2-CE2 3.63Å; F95-F101 HydrophobicContact CE2-CE2 3.63Å; F95-F101 HydrophobicContact CE2-CZ 4.13Å; F95-F101 AromaticContact CZ-CE2 3.98Å; F95-F101 HydrophobicContact CZ-CE2 3.98Å; F95-F101 HydrophobicContact CZ-CZ 4.02Å; S97-F101 VanDerWaalsContact O-CD2 3.24Å; S97-F101 WeakPolarHBondContact O-CD2 3.06Å; S97-F101 PolarHBondContact O-N 2.95Å; R98-F101 PolarHBondContact O-N 3.05Å; F101-V104 PolarHBondContact O-N 3.18Å; F101-I105 HydrophobicContact CB-CD1 4.39Å; F101-I105 VanDerWaalsContact O-CB 3.31Å; F101-I105 WeakPolarHBondContact O-CB 3.4Å; F101-I105 WeakPolarHBondContact O-CG1 3.27Å; F101-I105 PolarHBondContact O-N 3.1Å; F101-F140 HydrophobicContact CE1-CB 4.48Å; F101-F140 HydrophobicContact CE1-CD1 4.49Å; F101-I141 HydrophobicContact CD1-CD1 3.43Å; F101-I141 VanDerWaalsContact CD1-CD1 3.43Å; F101-I141 HydrophobicContact CD1-CG1 3.38Å; F101-I141 HydrophobicContact CE1-CD1 3.76Å; F101-I141 HydrophobicContact CE1-CG1 3.49Å; F101-I141 VanDerWaalsContact CE1-CG1 3.49Å; F101-I141 HydrophobicContact CG-CD1 4.36Å; F101-A235 HydrophobicContact CZ-CB 4.35Å
102G92.7Very high87.2Confident13 Ų1334.2 Ų34.213%0.13416%0.164CC..Hα-helixtrans-58.9-51-179.700000112.3R98 D99 F100 V104 Q106R98-G102 PolarHBondContact O-N 3.46Å; D99-G102 PolarHBondContact O-N 3.24Å; F100-G102 VanDerWaalsContact C-N 3.35Å; F100-G102 PolarHBondContact O-N 2.79Å; G102-V104 PolarHBondContact O-N 3.45Å; G102-Q106 VanDerWaalsContact O-CB 3.27Å; G102-Q106 WeakPolarHBondContact O-CB 3.24Å; G102-Q106 PolarHBondContact O-N 3.12Å
103E92.1Very high87.3Confident79 Ų7937.8 Ų37.837%0.36918%0.18SC..Hα-helixtrans-60.1-45.1178.5-71.4173.5165.900112.1D99 Q106 E107 R406 L511D99-E103 WeakPolarHBondContact O-CG 3.42Å; D99-E103 PolarHBondContact O-N 2.95Å; E103-Q106 PolarHBondContact O-N 3.34Å; E103-E107 PolarHBondContact O-N 3.45Å; E103-R406 WeakPolarHBondContact OE2-CD 3.49Å; E103-R406 IonicContact OE2-NE 3.86Å; E103-R406 PolarHBondContact OE2-NE 3.2Å; E103-L511 HydrophobicContact CB-CD2 4.12Å
104V91.8Very high87.3Confident0 Ų042.1 Ų42.10%020%0.201CC..Hα-helixtrans-70.1-44.3-177.9174.40000111.6F100 F101 G102 Q106 E107 V108 I141 A409 A410 Y413 L511F100-V104 HydrophobicContact CD2-CG2 4.38Å; F100-V104 HydrophobicContact CE1-CG2 4.48Å; F100-V104 HydrophobicContact CE2-CG2 4.05Å; F100-V104 HydrophobicContact CZ-CG2 4.11Å; F100-V104 WeakPolarHBondContact O-CB 3.4Å; F100-V104 VanDerWaalsContact O-CG2 3.27Å; F100-V104 WeakPolarHBondContact O-CG2 3.21Å; F100-V104 PolarHBondContact O-N 2.88Å; F100-V104 VanDerWaalsContact O-N 3.16Å; F101-V104 PolarHBondContact O-N 3.18Å; G102-V104 PolarHBondContact O-N 3.45Å; V104-Q106 PolarHBondContact O-N 2.88Å; V104-E107 PolarHBondContact O-N 2.99Å; V104-V108 PolarHBondContact O-N 3.34Å; V104-V108 VanDerWaalsContact O-N 3.12Å; V104-I141 HydrophobicContact CB-CD1 4.03Å; V104-I141 HydrophobicContact CG1-CD1 3.76Å; V104-I141 HydrophobicContact CG1-CG2 3.72Å; V104-A409 HydrophobicContact CG2-CB 4.26Å; V104-A410 HydrophobicContact CG2-CB 4.4Å; V104-Y413 HydrophobicContact CG1-CD2 3.61Å; V104-Y413 HydrophobicContact CG1-CE2 4.24Å; V104-Y413 HydrophobicContact CG1-CG 4.46Å; V104-L511 HydrophobicContact CG2-CD2 4.46Å
105I93.8Very high87Confident1 Ų141.9 Ų41.91%0.00520%0.199CC..Hα-helixtrans-63.6-35.4177-64.9171.6000109.9M82 L86 F101 E107 V108 I109 F140 L144M82-I105 HydrophobicContact CE-CB 4.28Å; M82-I105 HydrophobicContact CE-CG2 3.66Å; M82-I105 HydrophobicContact SD-CB 4.1Å; M82-I105 HydrophobicContact SD-CD1 4.46Å; M82-I105 HydrophobicContact SD-CG2 3.72Å; L86-I105 HydrophobicContact CD2-CD1 4.02Å; F101-I105 HydrophobicContact CB-CD1 4.39Å; F101-I105 VanDerWaalsContact O-CB 3.31Å; F101-I105 WeakPolarHBondContact O-CB 3.4Å; F101-I105 WeakPolarHBondContact O-CG1 3.27Å; F101-I105 PolarHBondContact O-N 3.1Å; I105-E107 VanDerWaalsContact C-N 3.34Å; I105-E107 PolarHBondContact O-N 3.49Å; I105-V108 WeakPolarHBondContact O-CA 3.46Å; I105-V108 WeakPolarHBondContact O-CB 3.27Å; I105-V108 PolarHBondContact O-N 3.16Å; I105-V108 VanDerWaalsContact O-N 3.11Å; I105-I109 HydrophobicContact CG2-CD1 4.15Å; I105-I109 HydrophobicContact CG2-CG1 4.39Å; I105-I109 WeakPolarHBondContact O-CG1 3.39Å; I105-I109 PolarHBondContact O-N 2.77Å; I105-F140 HydrophobicContact CD1-CE1 4.13Å; I105-L144 HydrophobicContact CD1-CD2 4.48Å; I105-L144 HydrophobicContact CG1-CD2 4.04Å; I105-L144 HydrophobicContact CG2-CD2 3.96Å
106Q94.1Very high86.4Confident108 Ų10842.2 Ų42.251%0.50520%0.201SC..Hα-helixtrans-64.7-37.3177.6-163.516414.400112.4G102 E103 V104 I109 K110G102-Q106 VanDerWaalsContact O-CB 3.27Å; G102-Q106 WeakPolarHBondContact O-CB 3.24Å; G102-Q106 PolarHBondContact O-N 3.12Å; E103-Q106 PolarHBondContact O-N 3.34Å; V104-Q106 PolarHBondContact O-N 2.88Å; Q106-I109 PolarHBondContact O-N 2.82Å; Q106-K110 WeakPolarHBondContact O-CG 3.49Å; Q106-K110 PolarHBondContact O-N 2.95Å
107E92.7Very high85.3Confident10 Ų1044 Ų445%0.04721%0.209CC..Hα-helixtrans-66-36.8170.3-69.3-57.8137.400112.7E103 V104 I105 I109 K110 K111 A410 T414 T510 L511 L512E103-E107 PolarHBondContact O-N 3.45Å; V104-E107 PolarHBondContact O-N 2.99Å; I105-E107 VanDerWaalsContact C-N 3.34Å; I105-E107 PolarHBondContact O-N 3.49Å; E107-I109 VanDerWaalsContact C-N 3.33Å; E107-I109 PolarHBondContact O-N 3.11Å; E107-K110 PolarHBondContact O-N 3.36Å; E107-K110 IonicContact OE1-NZ 2.7Å; E107-K110 PolarHBondContact OE1-NZ 3.07Å; E107-K111 WeakPolarHBondContact O-CB 3.42Å; E107-K111 PolarHBondContact O-N 3.24Å; E107-A410 HydrophobicContact CB-CB 4.35Å; E107-A410 HydrophobicContact CG-CB 4.18Å; E107-T414 HydrophobicContact CB-CG2 4.09Å; E107-T510 PolarHBondContact OE2-OG1 2.81Å; E107-L511 HydrophobicContact CG-CB 3.74Å; E107-L511 PolarHBondContact OE1-N 2.79Å; E107-L512 HydrophobicContact CB-CD2 4.4Å; E107-L512 HydrophobicContact CG-CD2 4.46Å
108V91.8Very high83.7Confident0 Ų051.1 Ų51.10%024%0.239CC..Hα-helixtrans-61-42.6173.4169.10000111.1V104 I105 K111 M112 L144 T145 L148 T414 F417V104-V108 PolarHBondContact O-N 3.34Å; V104-V108 VanDerWaalsContact O-N 3.12Å; I105-V108 WeakPolarHBondContact O-CA 3.46Å; I105-V108 WeakPolarHBondContact O-CB 3.27Å; I105-V108 PolarHBondContact O-N 3.16Å; I105-V108 VanDerWaalsContact O-N 3.11Å; V108-K111 WeakPolarHBondContact O-CB 3.4Å; V108-K111 PolarHBondContact O-N 3.42Å; V108-M112 PolarHBondContact O-N 2.82Å; V108-L144 HydrophobicContact CG1-CD2 4.4Å; V108-T145 HydrophobicContact CG1-CG2 4.1Å; V108-T145 HydrophobicContact CG2-CG2 4.03Å; V108-T145 WeakPolarHBondContact CG2-OG1 3.26Å; V108-L148 HydrophobicContact CG1-CD1 3.88Å; V108-T414 HydrophobicContact CG2-CG2 4.28Å; V108-F417 HydrophobicContact CG1-CE2 4.06Å; V108-F417 HydrophobicContact CG1-CZ 4.31Å
109I93.4Very high81.7Confident2 Ų252.6 Ų52.61%0.0125%0.245CC..Hα-helixtrans-65.5-44.6175.9-66.9172.9000111.2I75 L78 E79 M82 I105 Q106 E107 K111 M112 Q113I75-I109 HydrophobicContact CG2-CG2 3.92Å; L78-I109 HydrophobicContact CB-CD1 3.88Å; L78-I109 HydrophobicContact CD1-CG1 4.48Å; E79-I109 HydrophobicContact CG-CD1 4.37Å; E79-I109 HydrophobicContact CG-CG2 4.23Å; M82-I109 HydrophobicContact CE-CD1 3.37Å; I105-I109 HydrophobicContact CG2-CD1 4.15Å; I105-I109 HydrophobicContact CG2-CG1 4.39Å; I105-I109 WeakPolarHBondContact O-CG1 3.39Å; I105-I109 PolarHBondContact O-N 2.77Å; Q106-I109 PolarHBondContact O-N 2.82Å; E107-I109 VanDerWaalsContact C-N 3.33Å; E107-I109 PolarHBondContact O-N 3.11Å; I109-K111 VanDerWaalsContact C-N 3.25Å; I109-K111 PolarHBondContact O-N 2.87Å; I109-M112 VanDerWaalsContact O-CB 3.27Å; I109-M112 WeakPolarHBondContact O-CB 3.31Å; I109-M112 PolarHBondContact O-N 3.05Å; I109-M112 VanDerWaalsContact O-N 3.11Å; I109-Q113 WeakPolarHBondContact O-CG 3.37Å; I109-Q113 PolarHBondContact O-N 2.88Å
110K90.2Very high79.4Confident72 Ų7251.1 Ų51.131%0.31324%0.244SC..Hα-helixtrans-56.4-42.3173.8-72174.2-169.9170.30111Q106 E107 Q113 E114 D509Q106-K110 WeakPolarHBondContact O-CG 3.49Å; Q106-K110 PolarHBondContact O-N 2.95Å; E107-K110 PolarHBondContact O-N 3.36Å; E107-K110 IonicContact OE1-NZ 2.7Å; E107-K110 PolarHBondContact OE1-NZ 3.07Å; K110-Q113 WeakPolarHBondContact O-CB 3.35Å; K110-Q113 PolarHBondContact O-N 2.89Å; K110-E114 PolarHBondContact O-N 3.39Å; K110-D509 PolarHBondContact NZ-O 3.33Å
111K86.4Confident77Confident23 Ų2355.1 Ų55.110%0.126%0.264CS..Hα-helixtrans-64.5-41.4176.6-163.259.7165.5-175.60111.9E107 V108 I109 Q113 E114 F115 T414 F417 E418E107-K111 WeakPolarHBondContact O-CB 3.42Å; E107-K111 PolarHBondContact O-N 3.24Å; V108-K111 WeakPolarHBondContact O-CB 3.4Å; V108-K111 PolarHBondContact O-N 3.42Å; I109-K111 VanDerWaalsContact C-N 3.25Å; I109-K111 PolarHBondContact O-N 2.87Å; K111-Q113 VanDerWaalsContact C-N 3.27Å; K111-Q113 PolarHBondContact O-N 3.23Å; K111-E114 VanDerWaalsContact CD-OE2 3.31Å; K111-E114 WeakPolarHBondContact CD-OE2 3.36Å; K111-E114 IonicContact NZ-OE2 3.69Å; K111-E114 PolarHBondContact NZ-OE2 3.38Å; K111-E114 VanDerWaalsContact NZ-OE2 3.08Å; K111-E114 WeakPolarHBondContact O-CB 3.3Å; K111-E114 PolarHBondContact O-N 3.23Å; K111-E114 VanDerWaalsContact O-N 3.14Å; K111-F115 HydrophobicContact CG-CE2 4.48Å; K111-F115 WeakPolarHBondContact O-CD2 3.48Å; K111-F115 PolarHBondContact O-N 3.41Å; K111-T414 HydrophobicContact CB-CG2 4.21Å; K111-F417 HydrophobicContact CB-CD2 4.3Å; K111-F417 HydrophobicContact CB-CE2 4.37Å; K111-F417 HydrophobicContact CG-CB 3.91Å; K111-F417 HydrophobicContact CG-CD1 4.29Å; K111-F417 HydrophobicContact CG-CD2 3.78Å; K111-F417 HydrophobicContact CG-CE2 4.33Å; K111-F417 HydrophobicContact CG-CG 3.75Å; K111-E418 VanDerWaalsContact CE-OE1 3.29Å; K111-E418 WeakPolarHBondContact CE-OE1 3.34Å; K111-E418 IonicContact NZ-OE1 2.72Å; K111-E418 PolarHBondContact NZ-OE1 3.42Å
112M88.3Confident74.5Confident0 Ų059.2 Ų59.20%029%0.287CS..Hα-helixtrans-57.8-39.8174.8-163.4-172.2158.200112L71 L74 I75 L78 V108 I109 E114 F115 T116 L148 C152L71-M112 HydrophobicContact CB-CE 4.28Å; L71-M112 HydrophobicContact CD2-CE 3.51Å; L71-M112 HydrophobicContact CG-CE 4.49Å; L74-M112 HydrophobicContact CB-CE 4.18Å; L74-M112 HydrophobicContact CD2-CE 3.68Å; L74-M112 HydrophobicContact CG-CE 3.94Å; I75-M112 HydrophobicContact CD1-CE 4.16Å; I75-M112 HydrophobicContact CD1-CG 4.23Å; I75-M112 HydrophobicContact CD1-SD 4.28Å; I75-M112 HydrophobicContact CG1-CE 3.7Å; I75-M112 HydrophobicContact CG1-CG 4.18Å; I75-M112 HydrophobicContact CG1-SD 3.63Å; L78-M112 HydrophobicContact CD1-SD 4.27Å; V108-M112 PolarHBondContact O-N 2.82Å; I109-M112 VanDerWaalsContact O-CB 3.27Å; I109-M112 WeakPolarHBondContact O-CB 3.31Å; I109-M112 PolarHBondContact O-N 3.05Å; I109-M112 VanDerWaalsContact O-N 3.11Å; M112-E114 VanDerWaalsContact C-N 3.35Å; M112-E114 PolarHBondContact O-N 2.8Å; M112-F115 PolarHBondContact O-N 2.91Å; M112-T116 PolarHBondContact O-N 3.4Å; M112-L148 HydrophobicContact SD-CB 4.48Å; M112-L148 HydrophobicContact SD-CD2 4.31Å; M112-C152 WeakPolarHBondContact CG-SG 3.47Å
113Q86.8Confident72Confident76 Ų7664.4 Ų64.436%0.35531%0.305SS..Hα-helixtrans-60.3-41.7175.7-69168.7-5.500111.9I75 E79 I109 K110 K111 F115 T116I75-Q113 HydrophobicContact CD1-CG 3.83Å; I75-Q113 HydrophobicContact CG1-CG 4.46Å; I75-Q113 HydrophobicContact CG2-CG 3.94Å; E79-Q113 PolarHBondContact OE1-NE2 3.48Å; I109-Q113 WeakPolarHBondContact O-CG 3.37Å; I109-Q113 PolarHBondContact O-N 2.88Å; K110-Q113 WeakPolarHBondContact O-CB 3.35Å; K110-Q113 PolarHBondContact O-N 2.89Å; K111-Q113 VanDerWaalsContact C-N 3.27Å; K111-Q113 PolarHBondContact O-N 3.23Å; Q113-F115 PolarHBondContact O-N 3.45Å; Q113-T116 PolarHBondContact O-N 3.24Å; Q113-T116 VanDerWaalsContact O-N 3.11Å; Q113-T116 PolarHBondContact O-OG1 2.89Å
114E79Confident69.5Low91 Ų9162 Ų6243%0.42530%0.295SS..Hα-helixtrans-59.4-35.4177.1-61.4-177165.400112.3K110 K111 M112 T116 H117K110-E114 PolarHBondContact O-N 3.39Å; K111-E114 VanDerWaalsContact CD-OE2 3.31Å; K111-E114 WeakPolarHBondContact CD-OE2 3.36Å; K111-E114 IonicContact NZ-OE2 3.69Å; K111-E114 PolarHBondContact NZ-OE2 3.38Å; K111-E114 VanDerWaalsContact NZ-OE2 3.08Å; K111-E114 WeakPolarHBondContact O-CB 3.3Å; K111-E114 PolarHBondContact O-N 3.23Å; K111-E114 VanDerWaalsContact O-N 3.14Å; M112-E114 VanDerWaalsContact C-N 3.35Å; M112-E114 PolarHBondContact O-N 2.8Å; E114-T116 VanDerWaalsContact C-N 3.32Å; E114-T116 PolarHBondContact O-N 3.36Å; E114-H117 PolarHBondContact O-N 2.94Å
115F72.8Confident67.4Low62 Ų6265 Ų6527%0.27231%0.307SS..Hα-helixtrans-75.5-16.3179.2-85.5-98.9000114K111 M112 Q113 H117 C152 F417K111-F115 HydrophobicContact CG-CE2 4.48Å; K111-F115 WeakPolarHBondContact O-CD2 3.48Å; K111-F115 PolarHBondContact O-N 3.41Å; M112-F115 PolarHBondContact O-N 2.91Å; Q113-F115 PolarHBondContact O-N 3.45Å; F115-H117 PolarHBondContact O-N 3.36Å; F115-H117 VanDerWaalsContact O-N 3.15Å; F115-C152 HydrophobicContact CB-CB 4.17Å; F115-F417 HydrophobicContact CD2-CB 4.48Å; F115-F417 AromaticContact CD2-CD1 3.85Å; F115-F417 HydrophobicContact CD2-CD1 3.85Å; F115-F417 HydrophobicContact CE2-CB 3.65Å; F115-F417 AromaticContact CE2-CD1 3.85Å; F115-F417 HydrophobicContact CE2-CD1 3.85Å; F115-F417 HydrophobicContact CE2-CG 4.16Å; F115-F417 HydrophobicContact CG-CD1 4.36Å; F115-F417 HydrophobicContact CZ-CB 3.91Å; F115-F417 HydrophobicContact CZ-CD1 4.34Å; F115-F417 WeakPolarHBondContact CZ-O 3.45Å
116T63.1Low65.2Low12 Ų1267.4 Ų67.47%0.07432%0.317CS..THydrogen-bonded Turntrans-68.8-9.2175.267.30000113.3L71 I75 M112 Q113 E114L71-T116 HydrophobicContact CB-CG2 4.01Å; L71-T116 HydrophobicContact CD1-CG2 4.44Å; I75-T116 HydrophobicContact CD1-CG2 3.79Å; M112-T116 PolarHBondContact O-N 3.4Å; Q113-T116 PolarHBondContact O-N 3.24Å; Q113-T116 VanDerWaalsContact O-N 3.11Å; Q113-T116 PolarHBondContact O-OG1 2.89Å; E114-T116 VanDerWaalsContact C-N 3.32Å; E114-T116 PolarHBondContact O-N 3.36Å
117H51.3Low63Low134 Ų13468.9 Ų68.962%0.6232%0.323SS*.THydrogen-bonded Turntrans-114.6-6-172.8-64.7-6.3000114.7E114 F115E114-H117 PolarHBondContact O-N 2.94Å; F115-H117 PolarHBondContact O-N 3.36Å; F115-H117 VanDerWaalsContact O-N 3.15Å
118F47.2Very low61.6Low164 Ų16474.6 Ų74.672%0.71935%0.345SS*.  trans-124.5103.3-175.6-76.6-82.4000113S120F118-S120 PolarHBondContact O-N 3.36Å
119Y42.2Very low60.8Low112 Ų11275 Ų7544%0.43935%0.348SS..  trans-84.326.7173.3-77.1-83.8000114.1Y62 S64 M121Y62-Y119 WeakPolarHBondContact OH-CD1 3.44Å; Y62-Y119 WeakPolarHBondContact OH-CE1 3.16Å; S64-Y119 VanDerWaalsContact C-OH 3.3Å; S64-Y119 PolarHBondContact O-OH 3.38Å; Y119-M121 PolarHBondContact O-N 2.98Å
120S37.7Very low60.1Low93 Ų9377 Ų7765%0.6536%0.358SS*.  trans-8390.2178.9173.80000109.3F118 D122F118-S120 PolarHBondContact O-N 3.36Å; S120-D122 VanDerWaalsContact C-N 3.26Å; S120-D122 PolarHBondContact O-N 2.87Å
121M38.6Very low59.8Low97 Ų9773.8 Ų73.848%0.47834%0.344SS..  trans-57.885.9168.5-69.8-149.9-5900110.7Y119 V155Y119-M121 PolarHBondContact O-N 2.98Å; M121-V155 HydrophobicContact SD-CB 4.05Å; M121-V155 HydrophobicContact SD-CG1 3.4Å; M121-V155 WeakPolarHBondContact SD-CG1 3.37Å
122D39Very low59.6Low94 Ų9476.2 Ų76.250%0.50336%0.357SS..  trans-77.9121.2157-117.1-36.4000108.1S120 D124 K493S120-D122 VanDerWaalsContact C-N 3.26Å; S120-D122 PolarHBondContact O-N 2.87Å; D122-D124 PolarHBondContact O-N 3.35Å; D122-K493 VanDerWaalsContact OD1-CE 3.27Å; D122-K493 WeakPolarHBondContact OD1-CE 3.32Å; D122-K493 IonicContact OD1-NZ 2.9Å; D122-K493 PolarHBondContact OD1-NZ 2.7Å
123K40.5Very low59.3Low122 Ų12276.2 Ų76.253%0.5336%0.357SS..  trans-8223.9-152.9-71.4-176.9175.9179.10115.4R157K123-R157 HydrophobicContact CB-CG 4.36Å; K123-R157 WeakPolarHBondContact O-CG 3.25Å; K123-R157 PolarHBondContact O-NE 2.96Å
124D39.3Very low58.8Low29 Ų2976.6 Ų76.616%0.15536%0.359CS..  trans-13496.7-171.5-58.9-53.2000106.6D122 R157 N420D122-D124 PolarHBondContact O-N 3.35Å; D124-R157 IonicContact OD1-CZ 2.93Å; D124-R157 IonicContact OD1-NE 3.27Å; D124-R157 IonicContact OD1-NH2 3.59Å; D124-R157 PolarHBondContact OD1-NH2 3.42Å; D124-N420 PolarHBondContact O-OD1 3.42Å; D124-N420 VanDerWaalsContact O-OD1 3.07Å
125Y47.2Very low58.6Low64 Ų6475.8 Ų75.825%0.25135%0.352SS..  174168.397.4-96.8-86000111.3Y156 N420 G421Y125-Y156 VanDerWaalsContact N-CD2 3.28Å; Y125-Y156 WeakPolarHBondContact O-CD2 3.28Å; Y125-N420 VanDerWaalsContact CD2-CA 3.5Å; Y125-N420 HydrophobicContact CD2-CB 3.4Å; Y125-N420 HydrophobicContact CE2-CB 3.59Å; Y125-N420 HydrophobicContact CG-CB 4.49Å; Y125-G421 WeakPolarHBondContact CD1-O 3.47Å; Y125-G421 WeakPolarHBondContact CE1-O 3.11Å; Y125-G421 WeakPolarHBondContact CE2-O 3.45Å; Y125-G421 PolarHBondContact OH-O 3.38Å; Y125-G421 VanDerWaalsContact OH-O 3.04Å
126F46.7Very low58.4Low50 Ų5074 Ų7422%0.21935%0.345CS..  trans87.999.1-176.8-62.1-74.5000116.1F146 Y150 Y156 H161F126-F146 HydrophobicContact CD1-CZ 4.17Å; F126-F146 AromaticContact CE1-CE2 3.38Å; F126-F146 HydrophobicContact CE1-CE2 3.38Å; F126-F146 AromaticContact CE1-CZ 3.38Å; F126-F146 HydrophobicContact CE1-CZ 3.38Å; F126-F146 HydrophobicContact CZ-CD2 4.34Å; F126-F146 AromaticContact CZ-CE2 3.39Å; F126-F146 HydrophobicContact CZ-CE2 3.39Å; F126-F146 AromaticContact CZ-CZ 3.73Å; F126-F146 HydrophobicContact CZ-CZ 3.73Å; F126-Y150 HydrophobicContact CB-CE2 4.37Å; F126-Y150 HydrophobicContact CG-CE2 4.35Å; F126-Y156 WeakPolarHBondContact O-CD1 3.46Å; F126-Y156 VanDerWaalsContact O-CG 3.26Å; F126-H161 PolarHBondContact O-NE2 3.18Å
127F48.9Very low58.9Low140 Ų14074.1 Ų74.161%0.61435%0.346SS*.  trans-104.212.4171.1-164.3-103.1000113Y156F127-Y156 HydrophobicContact CB-CE1 4.13Å; F127-Y156 HydrophobicContact CD2-CD1 4.38Å; F127-Y156 AromaticContact CD2-CE1 3.96Å; F127-Y156 HydrophobicContact CD2-CE1 3.96Å
128Y63.4Low60.2Low129 Ų12967.8 Ų67.851%0.50632%0.317SS..  trans-132126.6179.8-76.1-80.4000110.8D130Y128-D130 PolarHBondContact O-N 2.97Å
129P74.4Confident61.9Low10 Ų1060.3 Ų60.37%0.06528%0.284CS..SBendtrans-72.2-13.3175.930.6-35.4000112.3I54 A57 E58 G162 L163 V164I54-P129 HydrophobicContact CG2-CG 3.88Å; A57-P129 HydrophobicContact CB-CB 3.82Å; E58-P129 HydrophobicContact CG-CG 4.1Å; P129-G162 WeakPolarHBondContact CB-O 3.45Å; P129-L163 CarbonylContact O-C 3.53Å; P129-L163 WeakPolarHBondContact O-CA 3.39Å; P129-V164 PolarHBondContact O-N 3.27Å
130D79.6Confident64Low43 Ų4355 Ų5523%0.2326%0.263CS..EExtended strand (participates in β ladder)trans-97.2130-174.9-164.916.3000112.4Y128 I132 V164 T166Y128-D130 PolarHBondContact O-N 2.97Å; D130-I132 WeakPolarHBondContact OD2-CG1 3.44Å; D130-V164 CarbonylContact C-O 3.54Å; D130-V164 WeakPolarHBondContact CA-O 3.41Å; D130-T166 PolarHBondContact OD1-OG1 3.04Å
131H83Confident66.4Low4 Ų450.6 Ų50.62%0.01923%0.233CC..EExtended strand (participates in β ladder)trans-118.2107.4171.4176.461000109H143 F146 L163 V164 V165 T166H131-H143 AromaticContact CE1-ND1 3.66Å; H131-H143 AromaticContact NE2-CE1 3.91Å; H131-H143 AromaticContact NE2-ND1 3.1Å; H131-H143 PolarHBondContact NE2-ND1 3.14Å; H131-H143 VanDerWaalsContact NE2-ND1 3.1Å; H131-F146 HydrophobicContact CB-CD1 4.31Å; H131-F146 HydrophobicContact CB-CE1 3.7Å; H131-F146 HydrophobicContact CB-CZ 4.35Å; H131-F146 AromaticContact CD2-CD1 3.97Å; H131-F146 AromaticContact CG-CD1 3.72Å; H131-F146 AromaticContact CG-CE1 3.52Å; H131-F146 AromaticContact ND1-CD1 3.78Å; H131-F146 AromaticContact ND1-CE1 3.58Å; H131-F146 AromaticContact ND1-CZ 3.79Å; H131-L163 HydrophobicContact CB-CD1 3.85Å; H131-V164 PolarHBondContact N-O 3.36Å; H131-V165 WeakPolarHBondContact O-CA 3.27Å; H131-T166 PolarHBondContact O-N 3.21Å
132I82.1Confident68.6Low74 Ų7446.4 Ų46.438%0.37921%0.212SC..EExtended strand (participates in β ladder)trans-97.1122.1-173.9-54.7173.2000109.6D130 E134 K168D130-I132 WeakPolarHBondContact OD2-CG1 3.44Å; I132-E134 WeakPolarHBondContact CG2-OE1 3.44Å; I132-K168 HydrophobicContact CG2-CD 4.44Å
133I82.3Confident70.8Confident0 Ų042.1 Ų42.10%019%0.188CC..EExtended strand (participates in β ladder)trans-100.7117.8173.5-55.6176.7000107.7D137 H143 V165 T166 C167 K168 L172 L176I133-D137 HydrophobicContact CG2-CB 3.99Å; I133-H143 HydrophobicContact CD1-CB 3.94Å; I133-H143 WeakPolarHBondContact CG2-NE2 3.39Å; I133-V165 HydrophobicContact CD1-CG1 3.79Å; I133-V165 HydrophobicContact CG1-CG1 4.42Å; I133-T166 PolarHBondContact N-O 3.24Å; I133-C167 HydrophobicContact CD1-CB 4.47Å; I133-K168 VanDerWaalsContact O-CB 3.31Å; I133-K168 WeakPolarHBondContact O-CB 3.31Å; I133-K168 PolarHBondContact O-N 2.87Å; I133-L172 HydrophobicContact CG2-CD1 3.76Å; I133-L176 HydrophobicContact CD1-CD1 3.36Å
134E77.2Confident73.3Confident84 Ų8436.3 Ų36.339%0.39316%0.163SC..PPolyproline II helixtrans-75164-176.7-68.1-57.414800112.9I132 D136 D137 K168 S169I132-E134 WeakPolarHBondContact CG2-OE1 3.44Å; E134-D136 VanDerWaalsContact C-N 3.31Å; E134-D136 PolarHBondContact O-N 3.49Å; E134-D137 PolarHBondContact O-N 2.7Å; E134-K168 VanDerWaalsContact CD-NZ 3.26Å; E134-K168 IonicContact OE1-NZ 2.79Å; E134-K168 PolarHBondContact OE1-NZ 3.42Å; E134-K168 WeakPolarHBondContact OE2-CD 3.26Å; E134-K168 IonicContact OE2-NZ 3.04Å; E134-K168 PolarHBondContact OE2-NZ 3.28Å; E134-S169 VanDerWaalsContact O-CB 3.23Å; E134-S169 WeakPolarHBondContact O-CB 3.45Å; E134-S169 PolarHBondContact O-N 3.49Å
135R73.4Confident75.6Confident75 Ų7534.9 Ų34.928%0.28316%0.156SC..THydrogen-bonded Turntrans-61.6-30.2-164.8-67.6173.5-166.9-170.51.1115.7K168 S169 C200 S202R135-K168 HydrophobicContact CB-CB 4.4Å; R135-K168 HydrophobicContact CG-CB 3.56Å; R135-K168 HydrophobicContact CG-CD 4.29Å; R135-S169 VanDerWaalsContact O-CA 3.28Å; R135-S169 WeakPolarHBondContact O-CA 3.46Å; R135-C200 VanDerWaalsContact CD-CB 3.5Å; R135-C200 HydrophobicContact CG-CB 3.92Å; R135-C200 PolarHBondContact NE-SG 3.46Å; R135-C200 PolarHBondContact NH2-SG 3.14Å; R135-S202 WeakPolarHBondContact CD-O 3.36Å; R135-S202 PolarHBondContact NH1-O 3.08Å; R135-S202 PolarHBondContact NH1-OG 2.74Å
136D69.2Low77.4Confident23 Ų2332.5 Ų32.512%0.12315%0.146CC..THydrogen-bonded Turntrans-111.26.9-177.8-66.1-52.3000113.2E134 C138 R171 T203 E204 S205E134-D136 VanDerWaalsContact C-N 3.31Å; E134-D136 PolarHBondContact O-N 3.49Å; D136-C138 PolarHBondContact O-N 2.88Å; D136-R171 IonicContact OD1-NH1 3.72Å; D136-R171 IonicContact OD1-NH2 3.63Å; D136-T203 VanDerWaalsContact OD2-C 3.22Å; D136-E204 WeakPolarHBondContact OD2-CA 3.5Å; D136-E204 PolarHBondContact OD2-N 2.81Å; D136-S205 PolarHBondContact OD2-N 2.77Å
137D74.7Confident79.4Confident15 Ų1530.1 Ų30.18%0.0814%0.136CC..  trans-62.1140.9174.4-151.4-29.4000109.9I133 E134 D139 H143 S169 L172 C207I133-D137 HydrophobicContact CG2-CB 3.99Å; E134-D137 PolarHBondContact O-N 2.7Å; D137-D139 PolarHBondContact OD1-N 2.78Å; D137-H143 IonicContact OD1-NE2 2.66Å; D137-H143 IonicContact OD2-CE1 3.59Å; D137-H143 PolarHBondContact OD2-CE1 3.11Å; D137-H143 IonicContact OD2-NE2 3.7Å; D137-H143 PolarHBondContact OD2-NE2 3.33Å; D137-S169 WeakPolarHBondContact O-CB 3.49Å; D137-S169 PolarHBondContact O-OG 2.95Å; D137-L172 HydrophobicContact CB-CD1 4.07Å; D137-L172 VanDerWaalsContact O-CD1 3.26Å; D137-L172 WeakPolarHBondContact O-CD1 3.44Å; D137-L172 WeakPolarHBondContact O-CG 3.28Å; D137-C207 PolarHBondContact OD1-SG 2.85Å
138C78.7Confident81.4Confident2 Ų223.5 Ų23.51%0.01411%0.107CC..  trans-138.32.1-176.938.50000112.1L93 D136 F140 T238L93-C138 HydrophobicContact CD2-CB 4.1Å; D136-C138 PolarHBondContact O-N 2.88Å; C138-F140 VanDerWaalsContact C-N 3.28Å; C138-F140 PolarHBondContact O-N 2.75Å; C138-T238 HydrophobicContact CB-CG2 4.48Å; C138-T238 WeakPolarHBondContact SG-CB 3.45Å; C138-T238 WeakPolarHBondContact SG-CG2 3.48Å
139D81.8Confident82.4Confident6 Ų618.6 Ų18.63%0.0329%0.088CC..  trans-80.477.8174.1-165.5-21000110.6D137 I141 F142 H143 G239 I240 Y413D137-D139 PolarHBondContact OD1-N 2.78Å; D139-I141 VanDerWaalsContact C-N 3.27Å; D139-I141 PolarHBondContact O-N 2.82Å; D139-I141 PolarHBondContact OD1-N 3.06Å; D139-F142 HydrophobicContact CB-CB 3.98Å; D139-F142 VanDerWaalsContact CG-CB 3.43Å; D139-F142 PolarHBondContact O-N 2.78Å; D139-F142 WeakPolarHBondContact OD1-CB 3.16Å; D139-F142 PolarHBondContact OD1-N 2.94Å; D139-H143 PolarHBondContact O-CD2 3.13Å; D139-H143 PolarHBondContact O-N 2.73Å; D139-G239 WeakPolarHBondContact OD2-CA 3.45Å; D139-I240 PolarHBondContact OD2-N 2.79Å; D139-Y413 PolarHBondContact OD1-OH 3.17Å; D139-Y413 PolarHBondContact OD2-OH 2.97Å
140F87Confident82.9Confident1 Ų118.4 Ų18.40%0.0049%0.086CC..Hα-helixtrans-57.6-40.1178174.7-112.1000112.5L85 V89 F101 I105 C138 F142 H143 L144 L172 P175 L176L85-F140 HydrophobicContact CD1-CZ 3.91Å; L85-F140 HydrophobicContact CD2-CE1 4.29Å; L85-F140 HydrophobicContact CD2-CZ 4.09Å; L85-F140 HydrophobicContact CG-CE1 4.36Å; L85-F140 HydrophobicContact CG-CZ 4.17Å; V89-F140 HydrophobicContact CG1-CD1 4.35Å; V89-F140 HydrophobicContact CG2-CD1 3.51Å; V89-F140 HydrophobicContact CG2-CE1 3.52Å; V89-F140 HydrophobicContact CG2-CG 4.08Å; V89-F140 HydrophobicContact CG2-CZ 4.09Å; F101-F140 HydrophobicContact CE1-CB 4.48Å; F101-F140 HydrophobicContact CE1-CD1 4.49Å; I105-F140 HydrophobicContact CD1-CE1 4.13Å; C138-F140 VanDerWaalsContact C-N 3.28Å; C138-F140 PolarHBondContact O-N 2.75Å; F140-F142 VanDerWaalsContact C-N 3.33Å; F140-F142 PolarHBondContact O-N 3.12Å; F140-H143 PolarHBondContact O-N 2.81Å; F140-L144 HydrophobicContact CE1-CB 4.33Å; F140-L144 HydrophobicContact CE1-CD1 3.93Å; F140-L144 HydrophobicContact CE2-CB 4.3Å; F140-L144 HydrophobicContact CE2-CD1 4.33Å; F140-L144 HydrophobicContact CZ-CB 4.08Å; F140-L144 HydrophobicContact CZ-CD1 3.5Å; F140-L144 HydrophobicContact CZ-CG 4.39Å; F140-L144 VanDerWaalsContact O-CB 3.3Å; F140-L144 WeakPolarHBondContact O-CB 3.31Å; F140-L144 PolarHBondContact O-N 2.64Å; F140-L172 HydrophobicContact CB-CD2 3.68Å; F140-L172 HydrophobicContact CD2-CD2 4.34Å; F140-L172 HydrophobicContact CG-CD2 4.49Å; F140-P175 HydrophobicContact CD2-CB 3.91Å; F140-P175 HydrophobicContact CD2-CG 3.97Å; F140-P175 HydrophobicContact CE2-CB 3.67Å; F140-P175 HydrophobicContact CE2-CG 4.2Å; F140-P175 HydrophobicContact CZ-CB 4.09Å; F140-L176 HydrophobicContact CD2-CD2 4.46Å; F140-L176 HydrophobicContact CE2-CD2 4.13Å; F140-L176 HydrophobicContact CE2-CG 4.47Å
141I87.4Confident83.3Confident1 Ų116.4 Ų16.41%0.0058%0.075CC..Hα-helixtrans-64.8-41.9-176.8-54.6-176.8000109.9F100 F101 V104 D139 H143 L144 T145 Y413F100-I141 HydrophobicContact CD1-CD1 4.5Å; F100-I141 HydrophobicContact CE1-CD1 3.86Å; F101-I141 HydrophobicContact CD1-CD1 3.43Å; F101-I141 VanDerWaalsContact CD1-CD1 3.43Å; F101-I141 HydrophobicContact CD1-CG1 3.38Å; F101-I141 HydrophobicContact CE1-CD1 3.76Å; F101-I141 HydrophobicContact CE1-CG1 3.49Å; F101-I141 VanDerWaalsContact CE1-CG1 3.49Å; F101-I141 HydrophobicContact CG-CD1 4.36Å; V104-I141 HydrophobicContact CB-CD1 4.03Å; V104-I141 HydrophobicContact CG1-CD1 3.76Å; V104-I141 HydrophobicContact CG1-CG2 3.72Å; D139-I141 VanDerWaalsContact C-N 3.27Å; D139-I141 PolarHBondContact O-N 2.82Å; D139-I141 PolarHBondContact OD1-N 3.06Å; I141-H143 PolarHBondContact O-N 3.2Å; I141-L144 PolarHBondContact O-N 3.43Å; I141-T145 WeakPolarHBondContact O-CB 3.15Å; I141-T145 PolarHBondContact O-N 3.06Å; I141-T145 PolarHBondContact O-OG1 3.45Å; I141-Y413 HydrophobicContact CB-CD1 4.22Å; I141-Y413 HydrophobicContact CB-CD2 4.12Å; I141-Y413 HydrophobicContact CB-CE1 3.91Å; I141-Y413 HydrophobicContact CB-CE2 3.79Å; I141-Y413 HydrophobicContact CB-CG 4.33Å; I141-Y413 HydrophobicContact CD1-CD2 4.46Å; I141-Y413 HydrophobicContact CD1-CE2 3.95Å; I141-Y413 HydrophobicContact CG1-CE2 4.43Å; I141-Y413 HydrophobicContact CG2-CD1 3.76Å; I141-Y413 HydrophobicContact CG2-CD2 3.41Å; I141-Y413 VanDerWaalsContact CG2-CD2 3.41Å; I141-Y413 HydrophobicContact CG2-CE1 3.97Å; I141-Y413 HydrophobicContact CG2-CE2 3.63Å; I141-Y413 HydrophobicContact CG2-CG 3.49Å; I141-Y413 VanDerWaalsContact CG2-CG 3.49Å
142F84.5Confident83.4Confident9 Ų916.8 Ų16.84%0.0398%0.078CC..Hα-helixtrans-55-53.7176.2175.1-107.3000111.3D139 F140 T145 F146 I240 Y370 Y413 L416D139-F142 HydrophobicContact CB-CB 3.98Å; D139-F142 VanDerWaalsContact CG-CB 3.43Å; D139-F142 PolarHBondContact O-N 2.78Å; D139-F142 WeakPolarHBondContact OD1-CB 3.16Å; D139-F142 PolarHBondContact OD1-N 2.94Å; F140-F142 VanDerWaalsContact C-N 3.33Å; F140-F142 PolarHBondContact O-N 3.12Å; F142-T145 PolarHBondContact O-N 3Å; F142-F146 WeakPolarHBondContact O-CB 3.5Å; F142-F146 PolarHBondContact O-N 3.27Å; F142-I240 HydrophobicContact CD2-CD1 3.81Å; F142-Y370 HydrophobicContact CD1-CE1 4.12Å; F142-Y370 HydrophobicContact CD2-CD1 4.37Å; F142-Y370 AromaticContact CD2-CE1 3.65Å; F142-Y370 HydrophobicContact CD2-CE1 3.65Å; F142-Y370 HydrophobicContact CE1-CE1 4.07Å; F142-Y370 HydrophobicContact CE2-CD1 4.15Å; F142-Y370 AromaticContact CE2-CE1 3.58Å; F142-Y370 HydrophobicContact CE2-CE1 3.58Å; F142-Y370 AromaticContact CG-CE1 3.93Å; F142-Y370 HydrophobicContact CG-CE1 3.93Å; F142-Y370 AromaticContact CZ-CE1 3.8Å; F142-Y370 HydrophobicContact CZ-CE1 3.8Å; F142-Y413 HydrophobicContact CB-CD1 4.42Å; F142-Y413 HydrophobicContact CB-CE1 3.86Å; F142-L416 HydrophobicContact CD2-CD1 3.69Å; F142-L416 HydrophobicContact CD2-CD2 4.47Å; F142-L416 HydrophobicContact CE2-CD1 3.87Å; F142-L416 HydrophobicContact CE2-CD2 3.94Å
143H86.5Confident83.2Confident3 Ų316.3 Ų16.31%0.0148%0.08CC..Hα-helixtrans-68.3-41-176.6-62.4-52.4000112.8H131 I133 D137 D139 F140 I141 T145 F146 I147 L172H131-H143 AromaticContact CE1-ND1 3.66Å; H131-H143 AromaticContact NE2-CE1 3.91Å; H131-H143 AromaticContact NE2-ND1 3.1Å; H131-H143 PolarHBondContact NE2-ND1 3.14Å; H131-H143 VanDerWaalsContact NE2-ND1 3.1Å; I133-H143 HydrophobicContact CD1-CB 3.94Å; I133-H143 WeakPolarHBondContact CG2-NE2 3.39Å; D137-H143 IonicContact OD1-NE2 2.66Å; D137-H143 IonicContact OD2-CE1 3.59Å; D137-H143 PolarHBondContact OD2-CE1 3.11Å; D137-H143 IonicContact OD2-NE2 3.7Å; D137-H143 PolarHBondContact OD2-NE2 3.33Å; D139-H143 PolarHBondContact O-CD2 3.13Å; D139-H143 PolarHBondContact O-N 2.73Å; F140-H143 PolarHBondContact O-N 2.81Å; I141-H143 PolarHBondContact O-N 3.2Å; H143-T145 VanDerWaalsContact C-N 3.3Å; H143-T145 PolarHBondContact O-N 3.06Å; H143-F146 PolarHBondContact O-N 3.36Å; H143-I147 WeakPolarHBondContact O-CB 3.34Å; H143-I147 WeakPolarHBondContact O-CD1 3.32Å; H143-I147 WeakPolarHBondContact O-CG1 3.42Å; H143-I147 PolarHBondContact O-N 3.05Å; H143-L172 VanDerWaalsContact CD2-CD1 3.45Å; H143-L172 WeakPolarHBondContact CD2-CD1 3.44Å
144L91.7Very high83Confident0 Ų016.3 Ų16.30%08%0.081CC..Hα-helixtrans-56-50.1172.4176119.4000110L85 I105 V108 F140 I141 F146 I147 L148 L179L85-L144 HydrophobicContact CD2-CD1 3.97Å; I105-L144 HydrophobicContact CD1-CD2 4.48Å; I105-L144 HydrophobicContact CG1-CD2 4.04Å; I105-L144 HydrophobicContact CG2-CD2 3.96Å; V108-L144 HydrophobicContact CG1-CD2 4.4Å; F140-L144 HydrophobicContact CE1-CB 4.33Å; F140-L144 HydrophobicContact CE1-CD1 3.93Å; F140-L144 HydrophobicContact CE2-CB 4.3Å; F140-L144 HydrophobicContact CE2-CD1 4.33Å; F140-L144 HydrophobicContact CZ-CB 4.08Å; F140-L144 HydrophobicContact CZ-CD1 3.5Å; F140-L144 HydrophobicContact CZ-CG 4.39Å; F140-L144 VanDerWaalsContact O-CB 3.3Å; F140-L144 WeakPolarHBondContact O-CB 3.31Å; F140-L144 PolarHBondContact O-N 2.64Å; I141-L144 PolarHBondContact O-N 3.43Å; L144-F146 PolarHBondContact O-N 3.36Å; L144-I147 PolarHBondContact O-N 3.35Å; L144-L148 HydrophobicContact CD2-CD1 3.87Å; L144-L148 HydrophobicContact CG-CD1 3.92Å; L144-L148 HydrophobicContact CG-CG 4.39Å; L144-L148 WeakPolarHBondContact O-CB 3.32Å; L144-L148 VanDerWaalsContact O-CG 3.26Å; L144-L148 WeakPolarHBondContact O-CG 3.48Å; L144-L148 PolarHBondContact O-N 2.87Å; L144-L179 HydrophobicContact CD1-CD1 3.84Å; L144-L179 HydrophobicContact CD1-CD2 4.02Å; L144-L179 HydrophobicContact CD1-CG 4.45Å; L144-L179 HydrophobicContact CG-CD2 4.47Å
145T87.5Confident82.8Confident0 Ų013.9 Ų13.90%07%0.071CC..Hα-helixtrans-62.7-43.1-178.6-54.50000111.8V108 I141 F142 H143 L148 R149 Y413 L416 F417V108-T145 HydrophobicContact CG1-CG2 4.1Å; V108-T145 HydrophobicContact CG2-CG2 4.03Å; V108-T145 WeakPolarHBondContact CG2-OG1 3.26Å; I141-T145 WeakPolarHBondContact O-CB 3.15Å; I141-T145 PolarHBondContact O-N 3.06Å; I141-T145 PolarHBondContact O-OG1 3.45Å; F142-T145 PolarHBondContact O-N 3Å; H143-T145 VanDerWaalsContact C-N 3.3Å; H143-T145 PolarHBondContact O-N 3.06Å; T145-L148 PolarHBondContact O-N 3.48Å; T145-R149 VanDerWaalsContact O-CB 3.25Å; T145-R149 WeakPolarHBondContact O-CB 3.49Å; T145-R149 PolarHBondContact O-N 3.4Å; T145-Y413 VanDerWaalsContact CG2-O 3.28Å; T145-Y413 WeakPolarHBondContact CG2-O 3.4Å; T145-L416 HydrophobicContact CG2-CB 4.15Å; T145-L416 HydrophobicContact CG2-CD1 3.78Å; T145-F417 HydrophobicContact CG2-CD2 4.19Å; T145-F417 HydrophobicContact CG2-CE2 3.67Å
146F84.5Confident82.3Confident13 Ų1311.4 Ų11.46%0.0576%0.062CC..Hα-helixtrans-58.9-49.1175.7-177.8-82.1000111.7F126 H131 F142 H143 L144 R149 Y150 L163F126-F146 HydrophobicContact CD1-CZ 4.17Å; F126-F146 AromaticContact CE1-CE2 3.38Å; F126-F146 HydrophobicContact CE1-CE2 3.38Å; F126-F146 AromaticContact CE1-CZ 3.38Å; F126-F146 HydrophobicContact CE1-CZ 3.38Å; F126-F146 HydrophobicContact CZ-CD2 4.34Å; F126-F146 AromaticContact CZ-CE2 3.39Å; F126-F146 HydrophobicContact CZ-CE2 3.39Å; F126-F146 AromaticContact CZ-CZ 3.73Å; F126-F146 HydrophobicContact CZ-CZ 3.73Å; H131-F146 HydrophobicContact CB-CD1 4.31Å; H131-F146 HydrophobicContact CB-CE1 3.7Å; H131-F146 HydrophobicContact CB-CZ 4.35Å; H131-F146 AromaticContact CD2-CD1 3.97Å; H131-F146 AromaticContact CG-CD1 3.72Å; H131-F146 AromaticContact CG-CE1 3.52Å; H131-F146 AromaticContact ND1-CD1 3.78Å; H131-F146 AromaticContact ND1-CE1 3.58Å; H131-F146 AromaticContact ND1-CZ 3.79Å; F142-F146 WeakPolarHBondContact O-CB 3.5Å; F142-F146 PolarHBondContact O-N 3.27Å; H143-F146 PolarHBondContact O-N 3.36Å; L144-F146 PolarHBondContact O-N 3.36Å; F146-R149 PolarHBondContact O-N 2.76Å; F146-Y150 HydrophobicContact CE1-CD2 4.24Å; F146-Y150 WeakPolarHBondContact O-CB 3.23Å; F146-Y150 PolarHBondContact O-N 3.24Å; F146-L163 HydrophobicContact CE1-CD1 4.15Å
147I89.4Confident81.6Confident1 Ų113.5 Ų13.51%0.0057%0.068CC..Hα-helixtrans-60.2-51.4179.5-69164.5000109.8H143 L144 R149 Y150 L151 L163 V165 L176 L179 I183 F193H143-I147 WeakPolarHBondContact O-CB 3.34Å; H143-I147 WeakPolarHBondContact O-CD1 3.32Å; H143-I147 WeakPolarHBondContact O-CG1 3.42Å; H143-I147 PolarHBondContact O-N 3.05Å; L144-I147 PolarHBondContact O-N 3.35Å; I147-R149 VanDerWaalsContact C-N 3.34Å; I147-R149 PolarHBondContact O-N 3.11Å; I147-Y150 WeakPolarHBondContact O-CB 3.49Å; I147-Y150 PolarHBondContact O-N 3.3Å; I147-Y150 VanDerWaalsContact O-N 3.16Å; I147-L151 HydrophobicContact CG2-CD1 4.05Å; I147-L151 HydrophobicContact CG2-CG 4.45Å; I147-L151 VanDerWaalsContact O-CG 3.3Å; I147-L151 WeakPolarHBondContact O-CG 3.26Å; I147-L151 PolarHBondContact O-N 3.5Å; I147-L163 HydrophobicContact CB-CD2 4.38Å; I147-L163 HydrophobicContact CG1-CD2 4.11Å; I147-L163 HydrophobicContact CG2-CD2 4.3Å; I147-V165 HydrophobicContact CD1-CG1 4.26Å; I147-V165 HydrophobicContact CD1-CG2 3.86Å; I147-V165 HydrophobicContact CG1-CG2 3.77Å; I147-L176 HydrophobicContact CD1-CD2 3.81Å; I147-L179 HydrophobicContact CD1-CD2 3.97Å; I147-L179 HydrophobicContact CG2-CD2 4.34Å; I147-I183 HydrophobicContact CG2-CD1 4.09Å; I147-F193 HydrophobicContact CG2-CD2 4.37Å; I147-F193 HydrophobicContact CG2-CE2 3.71Å; I147-F193 HydrophobicContact CG2-CZ 4.37Å
148L91.6Very high80.9Confident0 Ų015.2 Ų15.20%09%0.09CC..Hα-helixtrans-61.2-42.8-178.8-65.9179.9000112L74 L78 V108 M112 L144 T145 Y150 L151 C152 F417L74-L148 HydrophobicContact CD2-CD2 4.12Å; L78-L148 HydrophobicContact CD1-CD1 4.08Å; L78-L148 HydrophobicContact CD1-CD2 3.78Å; V108-L148 HydrophobicContact CG1-CD1 3.88Å; M112-L148 HydrophobicContact SD-CB 4.48Å; M112-L148 HydrophobicContact SD-CD2 4.31Å; L144-L148 HydrophobicContact CD2-CD1 3.87Å; L144-L148 HydrophobicContact CG-CD1 3.92Å; L144-L148 HydrophobicContact CG-CG 4.39Å; L144-L148 WeakPolarHBondContact O-CB 3.32Å; L144-L148 VanDerWaalsContact O-CG 3.26Å; L144-L148 WeakPolarHBondContact O-CG 3.48Å; L144-L148 PolarHBondContact O-N 2.87Å; T145-L148 PolarHBondContact O-N 3.48Å; L148-Y150 VanDerWaalsContact C-N 3.34Å; L148-Y150 PolarHBondContact O-N 3Å; L148-L151 PolarHBondContact O-N 3.39Å; L148-C152 PolarHBondContact O-N 2.57Å; L148-C152 VanDerWaalsContact O-N 3.1Å; L148-C152 PolarHBondContact O-SG 2.89Å; L148-C152 VanDerWaalsContact O-SG 3.39Å; L148-F417 HydrophobicContact CB-CZ 4.49Å
149R84.1Confident80.4Confident27 Ų2722.2 Ų22.210%0.10212%0.12CC..Hα-helixtrans-57-48.3173.5178.9-148.3173.5163.21.8111.5T145 F146 I147 L151 C152 C153 L416 F417 L419T145-R149 VanDerWaalsContact O-CB 3.25Å; T145-R149 WeakPolarHBondContact O-CB 3.49Å; T145-R149 PolarHBondContact O-N 3.4Å; F146-R149 PolarHBondContact O-N 2.76Å; I147-R149 VanDerWaalsContact C-N 3.34Å; I147-R149 PolarHBondContact O-N 3.11Å; R149-L151 VanDerWaalsContact C-N 3.29Å; R149-L151 PolarHBondContact O-N 3.27Å; R149-C152 WeakPolarHBondContact O-CB 3.38Å; R149-C152 PolarHBondContact O-N 3.48Å; R149-C152 VanDerWaalsContact O-N 3.11Å; R149-C153 PolarHBondContact O-N 2.91Å; R149-L416 WeakPolarHBondContact CD-O 3.36Å; R149-L416 PolarHBondContact NE-O 3.35Å; R149-L416 PolarHBondContact NH1-O 3.12Å; R149-F417 HydrophobicContact CB-CD1 4.04Å; R149-F417 HydrophobicContact CB-CE1 3.87Å; R149-F417 HydrophobicContact CB-CE2 4.42Å; R149-F417 HydrophobicContact CB-CG 4.39Å; R149-F417 HydrophobicContact CB-CZ 4.07Å; R149-F417 HydrophobicContact CG-CD1 4Å; R149-F417 HydrophobicContact CG-CE1 4.32Å; R149-F417 HydrophobicContact CG-CG 4.28Å; R149-L419 VanDerWaalsContact CZ-O 3.29Å; R149-L419 PolarHBondContact NH1-O 3.44Å; R149-L419 VanDerWaalsContact NH1-O 3.12Å; R149-L419 PolarHBondContact NH2-O 3.38Å
150Y83.7Confident80.4Confident6 Ų623.5 Ų23.52%0.02413%0.129CC..Hα-helixtrans-60.8-43.4-178.5-163.3-73.7000111.4F126 F146 I147 L148 C152 C153 H161 G162 L163F126-Y150 HydrophobicContact CB-CE2 4.37Å; F126-Y150 HydrophobicContact CG-CE2 4.35Å; F146-Y150 HydrophobicContact CE1-CD2 4.24Å; F146-Y150 WeakPolarHBondContact O-CB 3.23Å; F146-Y150 PolarHBondContact O-N 3.24Å; I147-Y150 WeakPolarHBondContact O-CB 3.49Å; I147-Y150 PolarHBondContact O-N 3.3Å; I147-Y150 VanDerWaalsContact O-N 3.16Å; L148-Y150 VanDerWaalsContact C-N 3.34Å; L148-Y150 PolarHBondContact O-N 3Å; Y150-C152 PolarHBondContact O-N 3.01Å; Y150-C153 CarbonylContact O-C 3.57Å; Y150-C153 VanDerWaalsContact O-C 3.27Å; Y150-C153 PolarHBondContact O-N 3.49Å; Y150-H161 AromaticContact CE1-ND1 3.92Å; Y150-H161 AromaticContact CZ-CE1 3.44Å; Y150-H161 VanDerWaalsContact CZ-CE1 3.44Å; Y150-H161 AromaticContact CZ-ND1 3.41Å; Y150-H161 PolarHBondContact OH-CE1 3.37Å; Y150-H161 PolarHBondContact OH-ND1 2.92Å; Y150-G162 PolarHBondContact OH-O 2.65Å; Y150-L163 HydrophobicContact CD1-CB 3.61Å; Y150-L163 HydrophobicContact CD1-CD1 4.38Å; Y150-L163 HydrophobicContact CD1-CD2 4.28Å; Y150-L163 HydrophobicContact CD1-CG 4.3Å; Y150-L163 HydrophobicContact CD2-CD1 3.86Å; Y150-L163 HydrophobicContact CE1-CB 3.52Å; Y150-L163 HydrophobicContact CE1-CD1 4.33Å; Y150-L163 HydrophobicContact CE1-CG 4.42Å; Y150-L163 HydrophobicContact CE2-CD1 3.76Å; Y150-L163 HydrophobicContact CG-CB 4.12Å; Y150-L163 HydrophobicContact CG-CD1 4.1Å; Y150-L163 HydrophobicContact CG-CD2 4.03Å; Y150-L163 HydrophobicContact CG-CG 4.31Å
151L88.8Confident80.2Confident0 Ų024.4 Ų24.40%013%0.133CC..Hα-helixtrans-62.2-31.4177-65.2176.6000112.2F70 L74 I147 L148 R149 I183 L192 F193F70-L151 HydrophobicContact CE1-CB 4.35Å; F70-L151 HydrophobicContact CE1-CD1 4.47Å; F70-L151 HydrophobicContact CZ-CD1 4.3Å; L74-L151 HydrophobicContact CD2-CD1 3.89Å; I147-L151 HydrophobicContact CG2-CD1 4.05Å; I147-L151 HydrophobicContact CG2-CG 4.45Å; I147-L151 VanDerWaalsContact O-CG 3.3Å; I147-L151 WeakPolarHBondContact O-CG 3.26Å; I147-L151 PolarHBondContact O-N 3.5Å; L148-L151 PolarHBondContact O-N 3.39Å; R149-L151 VanDerWaalsContact C-N 3.29Å; R149-L151 PolarHBondContact O-N 3.27Å; L151-I183 HydrophobicContact CD1-CD1 3.93Å; L151-I183 HydrophobicContact CD1-CG1 4.21Å; L151-L192 HydrophobicContact CD2-CD1 4.39Å; L151-L192 HydrophobicContact CD2-CD2 3.86Å; L151-L192 HydrophobicContact CD2-CG 3.77Å; L151-F193 HydrophobicContact CD2-CB 4.1Å; L151-F193 HydrophobicContact CD2-CD2 4.21Å; L151-F193 HydrophobicContact CD2-CG 4.48Å
152C85.4Confident80.2Confident12 Ų1224.4 Ų24.48%0.08113%0.133CC..Hα-helixtrans-68.9-33.5172.3-69.40000113.3M112 F115 L148 R149 Y150M112-C152 WeakPolarHBondContact CG-SG 3.47Å; F115-C152 HydrophobicContact CB-CB 4.17Å; L148-C152 PolarHBondContact O-N 2.57Å; L148-C152 VanDerWaalsContact O-N 3.1Å; L148-C152 PolarHBondContact O-SG 2.89Å; L148-C152 VanDerWaalsContact O-SG 3.39Å; R149-C152 WeakPolarHBondContact O-CB 3.38Å; R149-C152 PolarHBondContact O-N 3.48Å; R149-C152 VanDerWaalsContact O-N 3.11Å; Y150-C152 PolarHBondContact O-N 3.01Å
153C78Confident80.4Confident64 Ų6424 Ų2443%0.43213%0.132SC..  trans-131.663.1-169.7-62.80000113.4R149 Y150 V155R149-C153 PolarHBondContact O-N 2.91Å; Y150-C153 CarbonylContact O-C 3.57Å; Y150-C153 VanDerWaalsContact O-C 3.27Å; Y150-C153 PolarHBondContact O-N 3.49Å; C153-V155 PolarHBondContact O-N 3.38Å
154P78.9Confident80.6Confident1 Ų123.9 Ų23.91%0.00613%0.131CC..  trans-82.912.7-175.736-38.8000114.3F60 Y62 L67 S160 H161 L192F60-P154 HydrophobicContact CD1-CB 4.35Å; F60-P154 HydrophobicContact CE1-CB 3.82Å; F60-P154 HydrophobicContact CE1-CG 3.87Å; F60-P154 HydrophobicContact CZ-CG 4.45Å; Y62-P154 HydrophobicContact CD2-CG 4.05Å; Y62-P154 HydrophobicContact CE2-CG 4.34Å; L67-P154 HydrophobicContact CD1-CG 4.28Å; L67-P154 HydrophobicContact CD2-CG 3.75Å; P154-S160 WeakPolarHBondContact O-CA 3.41Å; P154-H161 PolarHBondContact O-N 3.04Å; P154-L192 HydrophobicContact CB-CD1 3.59Å; P154-L192 HydrophobicContact CG-CD1 3.97Å
155V71.4Confident80.6Confident32 Ų3223.9 Ų23.919%0.19413%0.131CC..EExtended strand (participates in β ladder)trans-114.8120.4179.1-172.50000109.7Y62 M121 C153Y62-V155 HydrophobicContact CD1-CG2 3.71Å; Y62-V155 HydrophobicContact CD2-CG2 3.22Å; Y62-V155 HydrophobicContact CE1-CG2 4.03Å; Y62-V155 HydrophobicContact CE2-CG2 3.54Å; Y62-V155 HydrophobicContact CG-CG2 3.25Å; M121-V155 HydrophobicContact SD-CB 4.05Å; M121-V155 HydrophobicContact SD-CG1 3.4Å; M121-V155 WeakPolarHBondContact SD-CG1 3.37Å; C153-V155 PolarHBondContact O-N 3.38Å
156Y63.6Low80.8Confident23 Ų2324 Ų249%0.0913%0.131CC..EExtended strand (participates in β ladder)trans-122.3122.2-179.4175.9-118.7000110.9Y125 F126 F127 G158 K159 H161Y125-Y156 VanDerWaalsContact N-CD2 3.28Å; Y125-Y156 WeakPolarHBondContact O-CD2 3.28Å; F126-Y156 WeakPolarHBondContact O-CD1 3.46Å; F126-Y156 VanDerWaalsContact O-CG 3.26Å; F127-Y156 HydrophobicContact CB-CE1 4.13Å; F127-Y156 HydrophobicContact CD2-CD1 4.38Å; F127-Y156 AromaticContact CD2-CE1 3.96Å; F127-Y156 HydrophobicContact CD2-CE1 3.96Å; Y156-G158 PolarHBondContact O-N 3.49Å; Y156-K159 PolarHBondContact N-O 2.94Å; Y156-K159 WeakPolarHBondContact O-CA 3.49Å; Y156-K159 PolarHBondContact O-N 3.41Å; Y156-H161 WeakPolarHBondContact CB-NE2 3.46Å
157R54.8Low81Confident68 Ų6823.3 Ų23.326%0.25713%0.129SC..THydrogen-bonded Turntrans50.932-179-67.5-176.1170.3161.9-6.9113.9K123 D124 K159 Y635K123-R157 HydrophobicContact CB-CG 4.36Å; K123-R157 WeakPolarHBondContact O-CG 3.25Å; K123-R157 PolarHBondContact O-NE 2.96Å; D124-R157 IonicContact OD1-CZ 2.93Å; D124-R157 IonicContact OD1-NE 3.27Å; D124-R157 IonicContact OD1-NH2 3.59Å; D124-R157 PolarHBondContact OD1-NH2 3.42Å; R157-K159 VanDerWaalsContact C-N 3.26Å; R157-K159 PolarHBondContact O-N 3.02Å; R157-Y635 VanDerWaalsContact CZ-CD1 3.45Å
158G59.4Low80.8Confident51 Ų5125.5 Ų25.553%0.52614%0.138SC..THydrogen-bonded Turntrans77.55.3-176.700000114.8Y156Y156-G158 PolarHBondContact O-N 3.49Å
159K69Low80.5Confident149 Ų14925.5 Ų25.565%0.64814%0.138SC*.EExtended strand (participates in β ladder)trans-104.1124.5168.3-68.3-170.9176.3-173.40109.3Y156 R157Y156-K159 PolarHBondContact N-O 2.94Å; Y156-K159 WeakPolarHBondContact O-CA 3.49Å; Y156-K159 PolarHBondContact O-N 3.41Å; R157-K159 VanDerWaalsContact C-N 3.26Å; R157-K159 PolarHBondContact O-N 3.02Å
160S81.3Confident80.4Confident32 Ų3226 Ų2622%0.22414%0.143CC..EExtended strand (participates in β ladder)trans-83.3143.6172.651.60000110.6F60 Y62 P154F60-S160 WeakPolarHBondContact O-CB 3.13Å; F60-S160 PolarHBondContact O-OG 3.2Å; Y62-S160 VanDerWaalsContact CB-CB 3.44Å; Y62-S160 PolarHBondContact N-OG 3.39Å; P154-S160 WeakPolarHBondContact O-CA 3.41Å
161H82.7Confident80.4Confident21 Ų2127.7 Ų27.710%0.09715%0.149CC..  trans-151.2152.1169.956.272.4000109.9A57 F126 Y150 P154 Y156A57-H161 CarbonylContact O-C 3.59Å; A57-H161 WeakPolarHBondContact O-CA 3.12Å; F126-H161 PolarHBondContact O-NE2 3.18Å; Y150-H161 AromaticContact CE1-ND1 3.92Å; Y150-H161 AromaticContact CZ-CE1 3.44Å; Y150-H161 VanDerWaalsContact CZ-CE1 3.44Å; Y150-H161 AromaticContact CZ-ND1 3.41Å; Y150-H161 PolarHBondContact OH-CE1 3.37Å; Y150-H161 PolarHBondContact OH-ND1 2.92Å; P154-H161 PolarHBondContact O-N 3.04Å; Y156-H161 WeakPolarHBondContact CB-NE2 3.46Å
162G87.5Confident80.4Confident0 Ų027.7 Ų27.70%015%0.149CC..  trans-85.7174.5172.700000112.6A57 P129 Y150 L192A57-G162 PolarHBondContact O-N 2.81Å; P129-G162 WeakPolarHBondContact CB-O 3.45Å; Y150-G162 PolarHBondContact OH-O 2.65Å; G162-L192 CarbonylContact C-O 3.57Å; G162-L192 WeakPolarHBondContact CA-O 3.31Å
163L89.3Confident80.6Confident1 Ų127.1 Ų27.11%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-106.1136.9177.1-176.662.3000111.2P129 H131 F146 I147 Y150 V165 L192 F193 S194P129-L163 CarbonylContact O-C 3.53Å; P129-L163 WeakPolarHBondContact O-CA 3.39Å; H131-L163 HydrophobicContact CB-CD1 3.85Å; F146-L163 HydrophobicContact CE1-CD1 4.15Å; I147-L163 HydrophobicContact CB-CD2 4.38Å; I147-L163 HydrophobicContact CG1-CD2 4.11Å; I147-L163 HydrophobicContact CG2-CD2 4.3Å; Y150-L163 HydrophobicContact CD1-CB 3.61Å; Y150-L163 HydrophobicContact CD1-CD1 4.38Å; Y150-L163 HydrophobicContact CD1-CD2 4.28Å; Y150-L163 HydrophobicContact CD1-CG 4.3Å; Y150-L163 HydrophobicContact CD2-CD1 3.86Å; Y150-L163 HydrophobicContact CE1-CB 3.52Å; Y150-L163 HydrophobicContact CE1-CD1 4.33Å; Y150-L163 HydrophobicContact CE1-CG 4.42Å; Y150-L163 HydrophobicContact CE2-CD1 3.76Å; Y150-L163 HydrophobicContact CG-CB 4.12Å; Y150-L163 HydrophobicContact CG-CD1 4.1Å; Y150-L163 HydrophobicContact CG-CD2 4.03Å; Y150-L163 HydrophobicContact CG-CG 4.31Å; L163-V165 HydrophobicContact CD2-CG2 3.7Å; L163-V165 HydrophobicContact CG-CG2 3.87Å; L163-L192 PolarHBondContact N-O 2.92Å; L163-F193 HydrophobicContact CB-CD2 4.33Å; L163-F193 HydrophobicContact CD2-CD2 4.17Å; L163-F193 HydrophobicContact CD2-CE2 4.13Å; L163-F193 HydrophobicContact CG-CD2 4.47Å; L163-F193 CarbonylContact O-C 3.53Å; L163-F193 WeakPolarHBondContact O-CA 3.29Å; L163-S194 PolarHBondContact O-N 2.87Å
164V91Very high81.2Confident0 Ų024.1 Ų24.10%013%0.125CC..EExtended strand (participates in β ladder)trans-113.5119.7165.5-176.80000107.1A53 I54 A57 P129 D130 H131 L196A53-V164 HydrophobicContact CB-CG1 4.19Å; A53-V164 HydrophobicContact CB-CG2 4.1Å; I54-V164 HydrophobicContact CG1-CG2 4.34Å; A57-V164 HydrophobicContact CB-CG2 3.81Å; P129-V164 PolarHBondContact O-N 3.27Å; D130-V164 CarbonylContact C-O 3.54Å; D130-V164 WeakPolarHBondContact CA-O 3.41Å; H131-V164 PolarHBondContact N-O 3.36Å; V164-L196 HydrophobicContact CG1-CD1 3.6Å; V164-L196 HydrophobicContact CG1-CG 4.06Å
165V91.2Very high81.8Confident0 Ų024 Ų240%012%0.124CC..EExtended strand (participates in β ladder)trans-101.7110174.5177.50000108.7H131 I133 I147 L163 F193 S194 F195 L196H131-V165 WeakPolarHBondContact O-CA 3.27Å; I133-V165 HydrophobicContact CD1-CG1 3.79Å; I133-V165 HydrophobicContact CG1-CG1 4.42Å; I147-V165 HydrophobicContact CD1-CG1 4.26Å; I147-V165 HydrophobicContact CD1-CG2 3.86Å; I147-V165 HydrophobicContact CG1-CG2 3.77Å; L163-V165 HydrophobicContact CD2-CG2 3.7Å; L163-V165 HydrophobicContact CG-CG2 3.87Å; V165-F193 HydrophobicContact CB-CE2 4.5Å; V165-F193 HydrophobicContact CG2-CE2 3.64Å; V165-F193 HydrophobicContact CG2-CZ 4.16Å; V165-S194 PolarHBondContact N-O 2.69Å; V165-F195 HydrophobicContact CB-CD2 4.06Å; V165-F195 HydrophobicContact CG1-CD2 3.9Å; V165-F195 HydrophobicContact CG1-CE2 4.24Å; V165-F195 CarbonylContact O-C 3.56Å; V165-F195 WeakPolarHBondContact O-CA 3.13Å; V165-L196 PolarHBondContact O-N 3.11Å
166T90.4Very high82.9Confident2 Ų222.6 Ų22.61%0.01212%0.115CC..EExtended strand (participates in β ladder)trans-95.3109.2176.6-61.30000109.3D130 H131 I133 L196 I198D130-T166 PolarHBondContact OD1-OG1 3.04Å; H131-T166 PolarHBondContact O-N 3.21Å; I133-T166 PolarHBondContact N-O 3.24Å; T166-L196 CarbonylContact C-O 3.57Å; T166-L196 WeakPolarHBondContact CA-O 3.35Å; T166-I198 HydrophobicContact CG2-CD1 3.22Å; T166-I198 HydrophobicContact CG2-CG1 3.86Å
167C89.8Confident84.4Confident0 Ų021.6 Ų21.60%011%0.112CC..EExtended strand (participates in β ladder)trans-106.5113.3-175.8-173.20000112.7I133 S169 M173 L176 F195 L196 I198I133-C167 HydrophobicContact CD1-CB 4.47Å; C167-S169 PolarHBondContact SG-O 3.31Å; C167-M173 HydrophobicContact CB-CG 4.49Å; C167-M173 WeakPolarHBondContact O-CE 3.13Å; C167-L176 HydrophobicContact CB-CD1 4.23Å; C167-F195 HydrophobicContact CB-CE2 3.52Å; C167-F195 HydrophobicContact CB-CZ 3.83Å; C167-L196 PolarHBondContact N-O 3.29Å; C167-I198 PolarHBondContact O-N 3.41Å
168K86.1Confident86.3Confident46 Ų4618.5 Ų18.520%0.210%0.1CC..  trans-97-15172.9-52.3167.6-175.5161.40112.8I132 I133 E134 R135 L170 I198I132-K168 HydrophobicContact CG2-CD 4.44Å; I133-K168 VanDerWaalsContact O-CB 3.31Å; I133-K168 WeakPolarHBondContact O-CB 3.31Å; I133-K168 PolarHBondContact O-N 2.87Å; E134-K168 VanDerWaalsContact CD-NZ 3.26Å; E134-K168 IonicContact OE1-NZ 2.79Å; E134-K168 PolarHBondContact OE1-NZ 3.42Å; E134-K168 WeakPolarHBondContact OE2-CD 3.26Å; E134-K168 IonicContact OE2-NZ 3.04Å; E134-K168 PolarHBondContact OE2-NZ 3.28Å; R135-K168 HydrophobicContact CB-CB 4.4Å; R135-K168 HydrophobicContact CG-CB 3.56Å; R135-K168 HydrophobicContact CG-CD 4.29Å; K168-L170 PolarHBondContact O-N 3.39Å; K168-I198 WeakPolarHBondContact CA-O 3.48Å; K168-I198 HydrophobicContact CG-CB 4.16Å; K168-I198 HydrophobicContact CG-CG2 4.39Å
169S84.1Confident88.1Confident0 Ų016.1 Ų16.10%08%0.075CC..  trans-77.4114.4-179.6170.90000112.4E134 R135 D137 C167 R171 L172 M173E134-S169 VanDerWaalsContact O-CB 3.23Å; E134-S169 WeakPolarHBondContact O-CB 3.45Å; E134-S169 PolarHBondContact O-N 3.49Å; R135-S169 VanDerWaalsContact O-CA 3.28Å; R135-S169 WeakPolarHBondContact O-CA 3.46Å; D137-S169 WeakPolarHBondContact O-CB 3.49Å; D137-S169 PolarHBondContact O-OG 2.95Å; C167-S169 PolarHBondContact SG-O 3.31Å; S169-R171 PolarHBondContact O-N 3.05Å; S169-R171 PolarHBondContact OG-N 2.86Å; S169-L172 PolarHBondContact O-N 3.39Å; S169-L172 WeakPolarHBondContact OG-CG 3.38Å; S169-L172 PolarHBondContact OG-N 2.86Å; S169-M173 VanDerWaalsContact O-CG 3.27Å; S169-M173 WeakPolarHBondContact O-CG 3.31Å; S169-M173 PolarHBondContact O-N 2.95Å
170L83.2Confident89.4Confident38 Ų389 Ų920%0.1995%0.045CC..Hα-helixtrans-57.8-36.3175.6-70.9177.4000112.9I34 V36 K168 M173 F199I34-L170 HydrophobicContact CD1-CD2 4.08Å; I34-L170 HydrophobicContact CG2-CD1 4.25Å; V36-L170 HydrophobicContact CG2-CB 3.95Å; K168-L170 PolarHBondContact O-N 3.39Å; L170-M173 HydrophobicContact CD2-CE 4.41Å; L170-M173 HydrophobicContact CD2-SD 3.94Å; L170-F199 HydrophobicContact CD1-CE2 4.19Å; L170-F199 HydrophobicContact CD2-CD2 3.73Å; L170-F199 HydrophobicContact CD2-CE2 3.86Å
171R83.1Confident90.1Very high41 Ų4110.7 Ų10.716%0.1555%0.046CC..Hα-helixtrans-73.1-31.4-178.1-60.3-178.6-162.399.124.5112.3V36 S92 L93 D136 S169 P175 F284V36-R171 HydrophobicContact CG1-CG 4.29Å; S92-R171 VanDerWaalsContact CB-O 3.24Å; S92-R171 WeakPolarHBondContact CB-O 3.5Å; S92-R171 PolarHBondContact OG-O 3.2Å; L93-R171 HydrophobicContact CD2-CB 3.9Å; D136-R171 IonicContact OD1-NH1 3.72Å; D136-R171 IonicContact OD1-NH2 3.63Å; S169-R171 PolarHBondContact O-N 3.05Å; S169-R171 PolarHBondContact OG-N 2.86Å; R171-P175 WeakPolarHBondContact O-CD 3.48Å; R171-F284 VanDerWaalsContact CZ-CG 3.47Å; R171-F284 VanDerWaalsContact NE-CD1 3.29Å
172L87.6Confident90.8Very high0 Ų09.8 Ų9.80%04%0.042CC..Hα-helixtrans-92.9-20.5-179.3-61179.2000113I133 D137 F140 H143 S169 V174 P175 L176I133-L172 HydrophobicContact CG2-CD1 3.76Å; D137-L172 HydrophobicContact CB-CD1 4.07Å; D137-L172 VanDerWaalsContact O-CD1 3.26Å; D137-L172 WeakPolarHBondContact O-CD1 3.44Å; D137-L172 WeakPolarHBondContact O-CG 3.28Å; F140-L172 HydrophobicContact CB-CD2 3.68Å; F140-L172 HydrophobicContact CD2-CD2 4.34Å; F140-L172 HydrophobicContact CG-CD2 4.49Å; H143-L172 VanDerWaalsContact CD2-CD1 3.45Å; H143-L172 WeakPolarHBondContact CD2-CD1 3.44Å; S169-L172 PolarHBondContact O-N 3.39Å; S169-L172 WeakPolarHBondContact OG-CG 3.38Å; S169-L172 PolarHBondContact OG-N 2.86Å; L172-V174 PolarHBondContact O-N 3.03Å; L172-P175 VanDerWaalsContact O-CD 3.24Å; L172-P175 WeakPolarHBondContact O-CD 3.3Å; L172-P175 WeakPolarHBondContact O-CG 3.49Å; L172-L176 HydrophobicContact CB-CD1 3.84Å; L172-L176 HydrophobicContact CB-CG 4.42Å; L172-L176 WeakPolarHBondContact O-CB 3.43Å; L172-L176 WeakPolarHBondContact O-CD1 3.47Å; L172-L176 WeakPolarHBondContact O-CG 3.28Å; L172-L176 PolarHBondContact O-N 3.42Å
173M90.6Very high91.3Very high0 Ų09.8 Ų9.80%04%0.042CC..Hα-helixtrans-52-43.3178.5-88177.9-172.900112.6I14 V43 C167 S169 L170 T177 P197 I198I14-M173 HydrophobicContact CG2-CB 4.32Å; I14-M173 HydrophobicContact CG2-CG 4.47Å; I14-M173 HydrophobicContact CG2-SD 4.49Å; V43-M173 HydrophobicContact CG1-CE 4.47Å; V43-M173 HydrophobicContact CG1-SD 4.08Å; V43-M173 HydrophobicContact CG2-SD 4.17Å; C167-M173 HydrophobicContact CB-CG 4.49Å; C167-M173 WeakPolarHBondContact O-CE 3.13Å; S169-M173 VanDerWaalsContact O-CG 3.27Å; S169-M173 WeakPolarHBondContact O-CG 3.31Å; S169-M173 PolarHBondContact O-N 2.95Å; L170-M173 HydrophobicContact CD2-CE 4.41Å; L170-M173 HydrophobicContact CD2-SD 3.94Å; M173-T177 VanDerWaalsContact O-CB 3.28Å; M173-T177 WeakPolarHBondContact O-CB 3.29Å; M173-T177 PolarHBondContact O-N 2.7Å; M173-T177 PolarHBondContact O-OG1 2.98Å; M173-P197 HydrophobicContact CE-CB 4.15Å; M173-P197 HydrophobicContact CG-CB 4.37Å; M173-P197 HydrophobicContact SD-CB 4.32Å; M173-I198 VanDerWaalsContact CE-C 3.49Å; M173-I198 WeakPolarHBondContact CE-O 3Å
174V90.3Very high91.6Very high1 Ų113.2 Ų13.21%0.0066%0.058CC..Hα-helixtrans-67.1-60.5-178.9-171.50000112Q12 I14 L39 L41 Y88 L172 L176 T177 I178Q12-V174 HydrophobicContact CG-CG1 4.45Å; I14-V174 HydrophobicContact CD1-CG2 4.25Å; L39-V174 HydrophobicContact CD1-CB 4.3Å; L39-V174 HydrophobicContact CD1-CG1 3.9Å; L39-V174 HydrophobicContact CD1-CG2 4.04Å; L41-V174 HydrophobicContact CD1-CG2 3.61Å; L41-V174 HydrophobicContact CD2-CG2 3.34Å; L41-V174 HydrophobicContact CG-CG2 4.12Å; Y88-V174 HydrophobicContact CD1-CG1 3.52Å; Y88-V174 HydrophobicContact CE1-CG1 4.29Å; Y88-V174 HydrophobicContact CG-CG1 4.17Å; L172-V174 PolarHBondContact O-N 3.03Å; V174-L176 PolarHBondContact O-N 3.34Å; V174-T177 WeakPolarHBondContact O-CB 3.25Å; V174-T177 PolarHBondContact O-N 3.42Å; V174-I178 WeakPolarHBondContact O-CG1 3.37Å; V174-I178 PolarHBondContact O-N 3.33Å
175P92Very high91.9Very high0 Ų018.1 Ų18.10%08%0.081CC..Hα-helixtrans-61.7-31.8-179.325.7-36.1000112.1L85 V89 F140 R171 L172 I178 L179L85-P175 HydrophobicContact CD1-CB 4.49Å; V89-P175 HydrophobicContact CG2-CB 3.6Å; V89-P175 HydrophobicContact CG2-CG 4.36Å; F140-P175 HydrophobicContact CD2-CB 3.91Å; F140-P175 HydrophobicContact CD2-CG 3.97Å; F140-P175 HydrophobicContact CE2-CB 3.67Å; F140-P175 HydrophobicContact CE2-CG 4.2Å; F140-P175 HydrophobicContact CZ-CB 4.09Å; R171-P175 WeakPolarHBondContact O-CD 3.48Å; L172-P175 VanDerWaalsContact O-CD 3.24Å; L172-P175 WeakPolarHBondContact O-CD 3.3Å; L172-P175 WeakPolarHBondContact O-CG 3.49Å; P175-I178 PolarHBondContact O-N 2.78Å; P175-L179 PolarHBondContact O-N 2.83Å
176L94.9Very high92.1Very high1 Ų118.1 Ų18.11%0.0058%0.081CC..Hα-helixtrans-71-31.6173.7-68.1170.2000113.4I133 F140 I147 C167 L172 V174 I178 L179 T180 F195I133-L176 HydrophobicContact CD1-CD1 3.36Å; F140-L176 HydrophobicContact CD2-CD2 4.46Å; F140-L176 HydrophobicContact CE2-CD2 4.13Å; F140-L176 HydrophobicContact CE2-CG 4.47Å; I147-L176 HydrophobicContact CD1-CD2 3.81Å; C167-L176 HydrophobicContact CB-CD1 4.23Å; L172-L176 HydrophobicContact CB-CD1 3.84Å; L172-L176 HydrophobicContact CB-CG 4.42Å; L172-L176 WeakPolarHBondContact O-CB 3.43Å; L172-L176 WeakPolarHBondContact O-CD1 3.47Å; L172-L176 WeakPolarHBondContact O-CG 3.28Å; L172-L176 PolarHBondContact O-N 3.42Å; V174-L176 PolarHBondContact O-N 3.34Å; L176-I178 VanDerWaalsContact C-N 3.34Å; L176-L179 HydrophobicContact CD2-CD2 4.12Å; L176-L179 PolarHBondContact O-N 3.41Å; L176-T180 WeakPolarHBondContact O-CB 3.29Å; L176-T180 PolarHBondContact O-N 3.31Å; L176-T180 PolarHBondContact O-OG1 3.43Å; L176-F195 HydrophobicContact CB-CD2 4.49Å; L176-F195 HydrophobicContact CB-CE2 3.66Å; L176-F195 HydrophobicContact CB-CZ 3.93Å; L176-F195 HydrophobicContact CD1-CE2 4.16Å
177T94.2Very high92.4Very high2 Ų222.6 Ų22.61%0.01211%0.108CC..Hα-helixtrans-66.9-39.4171.5-63.10000110.7I14 M173 V174 T180 R181I14-T177 HydrophobicContact CD1-CG2 4.1Å; I14-T177 VanDerWaalsContact CD1-OG1 3.26Å; I14-T177 WeakPolarHBondContact CD1-OG1 3.32Å; M173-T177 VanDerWaalsContact O-CB 3.28Å; M173-T177 WeakPolarHBondContact O-CB 3.29Å; M173-T177 PolarHBondContact O-N 2.7Å; M173-T177 PolarHBondContact O-OG1 2.98Å; V174-T177 WeakPolarHBondContact O-CB 3.25Å; V174-T177 PolarHBondContact O-N 3.42Å; T177-T180 WeakPolarHBondContact O-CB 3.41Å; T177-T180 PolarHBondContact O-N 2.89Å; T177-R181 WeakPolarHBondContact O-CG 3.01Å; T177-R181 PolarHBondContact O-N 3.03Å
178I94.4Very high92.6Very high4 Ų423.3 Ų23.32%0.02111%0.113CC..Hα-helixtrans-65.2-45.2174.1-58.8-59000110.8L85 Y88 V174 P175 L176 T180 R181 I182L85-I178 HydrophobicContact CD1-CB 4.12Å; L85-I178 HydrophobicContact CD1-CG2 3.94Å; Y88-I178 HydrophobicContact CD1-CG1 4.31Å; Y88-I178 HydrophobicContact CD2-CD1 3.82Å; Y88-I178 HydrophobicContact CD2-CG1 3.56Å; Y88-I178 HydrophobicContact CD2-CG2 4.4Å; Y88-I178 HydrophobicContact CE1-CD1 4.43Å; Y88-I178 HydrophobicContact CE2-CD1 3.75Å; Y88-I178 HydrophobicContact CE2-CG1 4.05Å; Y88-I178 HydrophobicContact CG-CD1 4.24Å; Y88-I178 HydrophobicContact CG-CG1 3.73Å; V174-I178 WeakPolarHBondContact O-CG1 3.37Å; V174-I178 PolarHBondContact O-N 3.33Å; P175-I178 PolarHBondContact O-N 2.78Å; L176-I178 VanDerWaalsContact C-N 3.34Å; I178-T180 VanDerWaalsContact C-N 3.27Å; I178-T180 PolarHBondContact O-N 3.48Å; I178-R181 WeakPolarHBondContact O-CB 3.49Å; I178-R181 PolarHBondContact O-N 3.4Å; I178-R181 VanDerWaalsContact O-N 3.14Å; I178-I182 HydrophobicContact CG2-CD1 4.23Å; I178-I182 WeakPolarHBondContact O-CG1 3.38Å; I178-I182 PolarHBondContact O-N 2.84Å
179L96.8Very high93Very high0 Ų022.4 Ų22.40%011%0.112CC..Hα-helixtrans-55.9-43.2172179.364000111.6L78 L144 I147 P175 L176 R181 I182 I183L78-L179 HydrophobicContact CD2-CD1 3.85Å; L144-L179 HydrophobicContact CD1-CD1 3.84Å; L144-L179 HydrophobicContact CD1-CD2 4.02Å; L144-L179 HydrophobicContact CD1-CG 4.45Å; L144-L179 HydrophobicContact CG-CD2 4.47Å; I147-L179 HydrophobicContact CD1-CD2 3.97Å; I147-L179 HydrophobicContact CG2-CD2 4.34Å; P175-L179 PolarHBondContact O-N 2.83Å; L176-L179 HydrophobicContact CD2-CD2 4.12Å; L176-L179 PolarHBondContact O-N 3.41Å; L179-R181 VanDerWaalsContact C-N 3.33Å; L179-R181 PolarHBondContact O-N 3.47Å; L179-I182 WeakPolarHBondContact O-CB 3.28Å; L179-I182 PolarHBondContact O-N 2.89Å; L179-I183 HydrophobicContact CD1-CD1 4.44Å; L179-I183 HydrophobicContact CG-CD1 4.03Å; L179-I183 WeakPolarHBondContact O-CG1 3.47Å; L179-I183 PolarHBondContact O-N 2.66Å
180T97.1Very high93.3Very high1 Ų128.3 Ų28.31%0.00614%0.143CC..Hα-helixtrans-62.4-39.4177.6-61.20000111.8Y17 F22 L176 T177 I178 I183 H184 F193 F195Y17-T180 HydrophobicContact CD1-CG2 3.92Å; Y17-T180 HydrophobicContact CD2-CG2 4.25Å; Y17-T180 HydrophobicContact CG-CG2 3.66Å; F22-T180 HydrophobicContact CE1-CG2 3.77Å; F22-T180 HydrophobicContact CZ-CG2 3.87Å; L176-T180 WeakPolarHBondContact O-CB 3.29Å; L176-T180 PolarHBondContact O-N 3.31Å; L176-T180 PolarHBondContact O-OG1 3.43Å; T177-T180 WeakPolarHBondContact O-CB 3.41Å; T177-T180 PolarHBondContact O-N 2.89Å; I178-T180 VanDerWaalsContact C-N 3.27Å; I178-T180 PolarHBondContact O-N 3.48Å; T180-I183 PolarHBondContact O-N 3.11Å; T180-H184 WeakPolarHBondContact O-CB 3.48Å; T180-H184 PolarHBondContact O-N 3.12Å; T180-F193 HydrophobicContact CG2-CE1 3.97Å; T180-F195 HydrophobicContact CG2-CB 4.1Å
181R96.3Very high93.8Very high67 Ų6729.5 Ų29.525%0.25315%0.147SC..Hα-helixtrans-63.2-43.4173-71.3175.7-179.21633.5111.7N13 F22 T177 I178 L179 I183 H184 E185N13-R181 PolarHBondContact O-NH2 3.45Å; F22-R181 HydrophobicContact CE1-CG 4.44Å; F22-R181 HydrophobicContact CE2-CG 4.35Å; F22-R181 HydrophobicContact CZ-CG 3.73Å; T177-R181 WeakPolarHBondContact O-CG 3.01Å; T177-R181 PolarHBondContact O-N 3.03Å; I178-R181 WeakPolarHBondContact O-CB 3.49Å; I178-R181 PolarHBondContact O-N 3.4Å; I178-R181 VanDerWaalsContact O-N 3.14Å; L179-R181 VanDerWaalsContact C-N 3.33Å; L179-R181 PolarHBondContact O-N 3.47Å; R181-I183 VanDerWaalsContact C-N 3.32Å; R181-I183 PolarHBondContact O-N 3.05Å; R181-H184 WeakPolarHBondContact O-CB 3.46Å; R181-H184 PolarHBondContact O-N 3.4Å; R181-E185 WeakPolarHBondContact O-CB 3.27Å; R181-E185 VanDerWaalsContact O-CG 3.31Å; R181-E185 WeakPolarHBondContact O-CG 3.5Å; R181-E185 PolarHBondContact O-N 3.11Å
182I97.2Very high94.3Very high2 Ų227.6 Ų27.61%0.0114%0.139CC..Hα-helixtrans-61.3-42175.7-63.6166.2000110.9L74 L78 N81 I178 L179 S186L74-I182 HydrophobicContact CD1-CG2 4.07Å; L78-I182 HydrophobicContact CD2-CD1 4.46Å; L78-I182 HydrophobicContact CD2-CG2 3.98Å; L78-I182 HydrophobicContact CG-CG2 4.06Å; N81-I182 HydrophobicContact CB-CD1 3.66Å; N81-I182 HydrophobicContact CB-CG1 3.96Å; I178-I182 HydrophobicContact CG2-CD1 4.23Å; I178-I182 WeakPolarHBondContact O-CG1 3.38Å; I178-I182 PolarHBondContact O-N 2.84Å; L179-I182 WeakPolarHBondContact O-CB 3.28Å; L179-I182 PolarHBondContact O-N 2.89Å; I182-S186 WeakPolarHBondContact O-CB 3.48Å; I182-S186 PolarHBondContact O-N 2.92Å; I182-S186 PolarHBondContact O-OG 2.9Å
183I97.3Very high94.7Very high0 Ų027.8 Ų27.80%014%0.14CC..Hα-helixtrans-61.4-47.9174.5-69.8165.1000110.4F70 L74 I147 L151 L179 T180 R181 S186 P188 F193F70-I183 HydrophobicContact CE2-CG2 4.4Å; F70-I183 HydrophobicContact CZ-CG2 4.2Å; L74-I183 HydrophobicContact CD1-CG1 3.98Å; L74-I183 HydrophobicContact CD2-CG1 4.49Å; I147-I183 HydrophobicContact CG2-CD1 4.09Å; L151-I183 HydrophobicContact CD1-CD1 3.93Å; L151-I183 HydrophobicContact CD1-CG1 4.21Å; L179-I183 HydrophobicContact CD1-CD1 4.44Å; L179-I183 HydrophobicContact CG-CD1 4.03Å; L179-I183 WeakPolarHBondContact O-CG1 3.47Å; L179-I183 PolarHBondContact O-N 2.66Å; T180-I183 PolarHBondContact O-N 3.11Å; R181-I183 VanDerWaalsContact C-N 3.32Å; R181-I183 PolarHBondContact O-N 3.05Å; I183-S186 WeakPolarHBondContact O-CB 3.28Å; I183-S186 PolarHBondContact O-N 3.34Å; I183-S186 VanDerWaalsContact O-N 3.13Å; I183-P188 HydrophobicContact CG2-CB 4.25Å; I183-P188 HydrophobicContact CG2-CG 4.15Å; I183-P188 WeakPolarHBondContact O-CD 3.29Å; I183-F193 HydrophobicContact CD1-CD1 4.12Å; I183-F193 HydrophobicContact CD1-CD2 4.44Å; I183-F193 HydrophobicContact CD1-CE1 3.81Å; I183-F193 HydrophobicContact CD1-CE2 4.15Å; I183-F193 HydrophobicContact CD1-CG 4.43Å; I183-F193 HydrophobicContact CD1-CZ 3.83Å; I183-F193 HydrophobicContact CG2-CB 4.43Å; I183-F193 HydrophobicContact CG2-CD1 3.9Å; I183-F193 HydrophobicContact CG2-CG 4.26Å
184H96.6Very high94.9Very high73 Ų7327.8 Ų27.834%0.33814%0.14SC..Hα-helixtrans-60-47.8178.9174.669.2000112.6Y17 G20 F22 T180 R181 S186 V187Y17-H184 HydrophobicContact CE2-CB 3.99Å; Y17-H184 AromaticContact CE2-CG 3.97Å; Y17-H184 AromaticContact CE2-ND1 3.51Å; Y17-H184 AromaticContact CZ-ND1 3.94Å; Y17-H184 PolarHBondContact OH-ND1 3.25Å; G20-H184 PolarHBondContact O-CE1 3.36Å; G20-H184 PolarHBondContact O-ND1 3Å; F22-H184 HydrophobicContact CE2-CB 4.07Å; F22-H184 AromaticContact CE2-CD2 3.98Å; F22-H184 AromaticContact CE2-CG 3.93Å; F22-H184 HydrophobicContact CZ-CB 4.42Å; T180-H184 WeakPolarHBondContact O-CB 3.48Å; T180-H184 PolarHBondContact O-N 3.12Å; R181-H184 WeakPolarHBondContact O-CB 3.46Å; R181-H184 PolarHBondContact O-N 3.4Å; H184-S186 PolarHBondContact O-N 3.34Å; H184-S186 VanDerWaalsContact O-N 3.15Å; H184-V187 WeakPolarHBondContact O-CA 3.39Å; H184-V187 PolarHBondContact O-N 2.72Å
185E95.8Very high95.1Very high102 Ų10227.8 Ų27.848%0.47714%0.14SC..Hα-helixtrans-57.9-27.6175.9-73.8170.3-168.700112.2R181 V187R181-E185 WeakPolarHBondContact O-CB 3.27Å; R181-E185 VanDerWaalsContact O-CG 3.31Å; R181-E185 WeakPolarHBondContact O-CG 3.5Å; R181-E185 PolarHBondContact O-N 3.11Å; E185-V187 PolarHBondContact O-N 3.11Å
186S96.9Very high95.2Very high1 Ų128.1 Ų28.11%0.00714%0.142CC..THydrogen-bonded Turntrans-81.4-3177.8-54.30000113.4F70 R73 L74 S77 I182 I183 H184F70-S186 WeakPolarHBondContact CD2-O 3.38Å; R73-S186 PolarHBondContact NE-O 3.34Å; R73-S186 PolarHBondContact NH2-O 3.29Å; L74-S186 VanDerWaalsContact CA-OG 3.32Å; L74-S186 WeakPolarHBondContact CA-OG 3.38Å; S77-S186 WeakPolarHBondContact CB-OG 3.47Å; S77-S186 PolarHBondContact OG-OG 2.69Å; S77-S186 VanDerWaalsContact OG-OG 3.09Å; I182-S186 WeakPolarHBondContact O-CB 3.48Å; I182-S186 PolarHBondContact O-N 2.92Å; I182-S186 PolarHBondContact O-OG 2.9Å; I183-S186 WeakPolarHBondContact O-CB 3.28Å; I183-S186 PolarHBondContact O-N 3.34Å; I183-S186 VanDerWaalsContact O-N 3.13Å; H184-S186 PolarHBondContact O-N 3.34Å; H184-S186 VanDerWaalsContact O-N 3.15Å
187V95.8Very high95.1Very high95 Ų9528.1 Ų28.158%0.57614%0.142SC*.  trans57.276.1177.9-168.50000110.9R73 H184 E185R73-V187 PolarHBondContact NH2-O 3.13Å; H184-V187 WeakPolarHBondContact O-CA 3.39Å; H184-V187 PolarHBondContact O-N 2.72Å; E185-V187 PolarHBondContact O-N 3.11Å
188P94.9Very high94.6Very high16 Ų1628.6 Ų28.610%0.10414%0.144CC..PPolyproline II helixtrans-69.6149.2179.730.7-31.9000110.3Y17 F70 I183Y17-P188 WeakPolarHBondContact OH-CG 3.27Å; F70-P188 VanDerWaalsContact CD2-CA 3.45Å; F70-P188 HydrophobicContact CD2-CB 4.07Å; F70-P188 HydrophobicContact CE2-CB 3.59Å; F70-P188 HydrophobicContact CZ-CB 3.85Å; I183-P188 HydrophobicContact CG2-CB 4.25Å; I183-P188 HydrophobicContact CG2-CG 4.15Å; I183-P188 WeakPolarHBondContact O-CD 3.29Å
189P93.3Very high93.7Very high27 Ų2730 Ų3018%0.17515%0.151CC..PPolyproline II helixtrans-49.4143.3166.3-2835.1000111.9F60 L67 F70 K191 L192F60-P189 HydrophobicContact CE2-CB 3.82Å; F60-P189 HydrophobicContact CZ-CB 4.44Å; L67-P189 HydrophobicContact CD1-CG 4.48Å; F70-P189 HydrophobicContact CB-CG 4.5Å; P189-K191 PolarHBondContact O-N 2.96Å; P189-L192 HydrophobicContact CB-CB 4.27Å; P189-L192 HydrophobicContact CG-CD2 4.15Å; P189-L192 VanDerWaalsContact O-CB 3.26Å; P189-L192 WeakPolarHBondContact O-CB 3.44Å; P189-L192 PolarHBondContact O-N 3.21Å; P189-L192 VanDerWaalsContact O-N 3.13Å
190N91Very high92.2Very high124 Ų12431 Ų3166%0.66316%0.157SC*.THydrogen-bonded Turntrans-53.3135.5-179.5-79.8-12.3000110.9F60 L192F60-N190 WeakPolarHBondContact CD2-O 3.25Å; N190-L192 PolarHBondContact O-N 2.88Å
191K93.6Very high90Very high63 Ų6339.5 Ų39.527%0.27419%0.194SC..THydrogen-bonded Turntrans66.72.6178.5-47.1161.7175.1-173.40116L56 S59 F60 P189 F193L56-K191 HydrophobicContact CB-CG 4.43Å; L56-K191 HydrophobicContact CD2-CG 4.41Å; L56-K191 WeakPolarHBondContact O-CB 3.47Å; S59-K191 PolarHBondContact O-NZ 2.88Å; S59-K191 WeakPolarHBondContact OG-CD 3.22Å; S59-K191 WeakPolarHBondContact OG-CE 3.43Å; S59-K191 PolarHBondContact OG-NZ 3.45Å; F60-K191 HydrophobicContact CB-CB 4.38Å; P189-K191 PolarHBondContact O-N 2.96Å; K191-F193 PolarHBondContact O-N 2.97Å
192L93.6Very high87.4Confident0 Ų039.9 Ų39.90%021%0.207CC..SBendtrans-66.8-35.8179.5178.563.4000112.9F60 L67 F70 L151 P154 G162 L163 P189 N190F60-L192 HydrophobicContact CD1-CD1 4.31Å; F60-L192 HydrophobicContact CD2-CB 4.23Å; F60-L192 HydrophobicContact CE1-CD1 3.88Å; F60-L192 HydrophobicContact CE2-CB 4Å; F60-L192 HydrophobicContact CE2-CD1 4.21Å; F60-L192 HydrophobicContact CZ-CB 4.44Å; F60-L192 HydrophobicContact CZ-CD1 3.83Å; L67-L192 HydrophobicContact CD1-CD2 3.76Å; F70-L192 HydrophobicContact CD1-CD2 4.07Å; F70-L192 HydrophobicContact CE1-CD2 3.75Å; F70-L192 HydrophobicContact CZ-CD2 4.48Å; L151-L192 HydrophobicContact CD2-CD1 4.39Å; L151-L192 HydrophobicContact CD2-CD2 3.86Å; L151-L192 HydrophobicContact CD2-CG 3.77Å; P154-L192 HydrophobicContact CB-CD1 3.59Å; P154-L192 HydrophobicContact CG-CD1 3.97Å; G162-L192 CarbonylContact C-O 3.57Å; G162-L192 WeakPolarHBondContact CA-O 3.31Å; L163-L192 PolarHBondContact N-O 2.92Å; P189-L192 HydrophobicContact CB-CB 4.27Å; P189-L192 HydrophobicContact CG-CD2 4.15Å; P189-L192 VanDerWaalsContact O-CB 3.26Å; P189-L192 WeakPolarHBondContact O-CB 3.44Å; P189-L192 PolarHBondContact O-N 3.21Å; P189-L192 VanDerWaalsContact O-N 3.13Å; N190-L192 PolarHBondContact O-N 2.88Å
193F95.3Very high84.5Confident5 Ų544.6 Ų44.62%0.02224%0.236CC..EExtended strand (participates in β ladder)trans-141.3136.4-172.9-176.7-103.7000111.7Y17 I147 L151 L163 V165 T180 I183 K191 F195Y17-F193 AromaticContact CD1-CD1 3.92Å; Y17-F193 HydrophobicContact CD1-CD1 3.92Å; Y17-F193 HydrophobicContact CD1-CE1 4.33Å; Y17-F193 AromaticContact CE1-CD1 3.93Å; Y17-F193 HydrophobicContact CE1-CD1 3.93Å; Y17-F193 WeakPolarHBondContact CE1-O 3.32Å; I147-F193 HydrophobicContact CG2-CD2 4.37Å; I147-F193 HydrophobicContact CG2-CE2 3.71Å; I147-F193 HydrophobicContact CG2-CZ 4.37Å; L151-F193 HydrophobicContact CD2-CB 4.1Å; L151-F193 HydrophobicContact CD2-CD2 4.21Å; L151-F193 HydrophobicContact CD2-CG 4.48Å; L163-F193 HydrophobicContact CB-CD2 4.33Å; L163-F193 HydrophobicContact CD2-CD2 4.17Å; L163-F193 HydrophobicContact CD2-CE2 4.13Å; L163-F193 HydrophobicContact CG-CD2 4.47Å; L163-F193 CarbonylContact O-C 3.53Å; L163-F193 WeakPolarHBondContact O-CA 3.29Å; V165-F193 HydrophobicContact CB-CE2 4.5Å; V165-F193 HydrophobicContact CG2-CE2 3.64Å; V165-F193 HydrophobicContact CG2-CZ 4.16Å; T180-F193 HydrophobicContact CG2-CE1 3.97Å; I183-F193 HydrophobicContact CD1-CD1 4.12Å; I183-F193 HydrophobicContact CD1-CD2 4.44Å; I183-F193 HydrophobicContact CD1-CE1 3.81Å; I183-F193 HydrophobicContact CD1-CE2 4.15Å; I183-F193 HydrophobicContact CD1-CG 4.43Å; I183-F193 HydrophobicContact CD1-CZ 3.83Å; I183-F193 HydrophobicContact CG2-CB 4.43Å; I183-F193 HydrophobicContact CG2-CD1 3.9Å; I183-F193 HydrophobicContact CG2-CG 4.26Å; K191-F193 PolarHBondContact O-N 2.97Å; F193-F195 HydrophobicContact CE1-CB 4.05Å; F193-F195 HydrophobicContact CZ-CB 4.19Å
194S95.6Very high81.4Confident0 Ų051.8 Ų51.80%027%0.27CS..EExtended strand (participates in β ladder)trans-136.4147.7169.7-58.40000110.1Y17 L163 V165Y17-S194 CarbonylContact O-C 3.5Å; Y17-S194 WeakPolarHBondContact O-CA 3.38Å; Y17-S194 WeakPolarHBondContact O-CB 3.44Å; L163-S194 PolarHBondContact O-N 2.87Å; V165-S194 PolarHBondContact N-O 2.69Å
195F95.7Very high78.8Confident1 Ų150.1 Ų50.10%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-128.9125.3175.7174.6-104.4000109.7P16 Y17 V165 C167 L176 T180 F193 P197P16-F195 CarbonylContact C-O 3.49Å; P16-F195 WeakPolarHBondContact CA-O 3.49Å; Y17-F195 PolarHBondContact N-O 3.02Å; Y17-F195 PolarHBondContact O-N 3.1Å; V165-F195 HydrophobicContact CB-CD2 4.06Å; V165-F195 HydrophobicContact CG1-CD2 3.9Å; V165-F195 HydrophobicContact CG1-CE2 4.24Å; V165-F195 CarbonylContact O-C 3.56Å; V165-F195 WeakPolarHBondContact O-CA 3.13Å; C167-F195 HydrophobicContact CB-CE2 3.52Å; C167-F195 HydrophobicContact CB-CZ 3.83Å; L176-F195 HydrophobicContact CB-CD2 4.49Å; L176-F195 HydrophobicContact CB-CE2 3.66Å; L176-F195 HydrophobicContact CB-CZ 3.93Å; L176-F195 HydrophobicContact CD1-CE2 4.16Å; T180-F195 HydrophobicContact CG2-CB 4.1Å; F193-F195 HydrophobicContact CE1-CB 4.05Å; F193-F195 HydrophobicContact CZ-CB 4.19Å; F195-P197 HydrophobicContact CE1-CB 4.08Å; F195-P197 HydrophobicContact CE1-CG 4.2Å; F195-P197 HydrophobicContact CZ-CB 4.41Å
196L93.7Very high76.3Confident6 Ų646.9 Ų46.93%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-122.498.7-176.1-60.7-179.7000109.6P16 V18 N50 A53 V164 V165 T166 C167 I198P16-L196 HydrophobicContact CB-CD2 4.18Å; V18-L196 HydrophobicContact CG2-CD2 3.65Å; N50-L196 HydrophobicContact CB-CD1 3.84Å; A53-L196 HydrophobicContact CB-CD1 4Å; V164-L196 HydrophobicContact CG1-CD1 3.6Å; V164-L196 HydrophobicContact CG1-CG 4.06Å; V165-L196 PolarHBondContact O-N 3.11Å; T166-L196 CarbonylContact C-O 3.57Å; T166-L196 WeakPolarHBondContact CA-O 3.35Å; C167-L196 PolarHBondContact N-O 3.29Å; L196-I198 PolarHBondContact O-N 3.48Å
197P91.5Very high73.5Confident1 Ų147.2 Ų47.21%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-71.8126.6170.730.5-32.5000109.4I14 P16 V43 S45 M173 F195I14-P197 HydrophobicContact CG2-CB 3.58Å; I14-P197 HydrophobicContact CG2-CG 3.83Å; P16-P197 HydrophobicContact CG-CG 4.37Å; V43-P197 HydrophobicContact CG1-CB 4.24Å; S45-P197 WeakPolarHBondContact CA-O 3.2Å; M173-P197 HydrophobicContact CE-CB 4.15Å; M173-P197 HydrophobicContact CG-CB 4.37Å; M173-P197 HydrophobicContact SD-CB 4.32Å; F195-P197 HydrophobicContact CE1-CB 4.08Å; F195-P197 HydrophobicContact CE1-CG 4.2Å; F195-P197 HydrophobicContact CZ-CB 4.41Å
198I85.2Confident71.3Confident12 Ų1244.4 Ų44.46%0.06224%0.238CC..  trans-115.2112.6175-64-174.4000108.9Q47 T166 C167 K168 M173 L196Q47-I198 HydrophobicContact CG-CD1 4.04Å; Q47-I198 HydrophobicContact CG-CG1 4.17Å; Q47-I198 HydrophobicContact CG-CG2 4.13Å; T166-I198 HydrophobicContact CG2-CD1 3.22Å; T166-I198 HydrophobicContact CG2-CG1 3.86Å; C167-I198 PolarHBondContact O-N 3.41Å; K168-I198 WeakPolarHBondContact CA-O 3.48Å; K168-I198 HydrophobicContact CG-CB 4.16Å; K168-I198 HydrophobicContact CG-CG2 4.39Å; M173-I198 VanDerWaalsContact CE-C 3.49Å; M173-I198 WeakPolarHBondContact CE-O 3Å; L196-I198 PolarHBondContact O-N 3.48Å
199F75.7Confident69.3Low35 Ų3543.8 Ų43.815%0.15424%0.235CC..  trans-76.1136.1173.8-177.4-117.5000111.1D32 I34 V43 S45 L170 K201D32-F199 HydrophobicContact CB-CD1 3.76Å; D32-F199 HydrophobicContact CB-CE1 4.05Å; D32-F199 HydrophobicContact CB-CG 4.03Å; D32-F199 WeakPolarHBondContact OD2-CD1 3.42Å; I34-F199 HydrophobicContact CD1-CD2 3.3Å; I34-F199 HydrophobicContact CD1-CE1 4.39Å; I34-F199 HydrophobicContact CD1-CE2 3.09Å; I34-F199 HydrophobicContact CD1-CG 4.07Å; I34-F199 HydrophobicContact CD1-CZ 3.69Å; I34-F199 HydrophobicContact CG1-CD2 4.25Å; I34-F199 HydrophobicContact CG1-CE2 3.54Å; I34-F199 HydrophobicContact CG1-CZ 3.76Å; V43-F199 HydrophobicContact CG1-CB 4.35Å; S45-F199 PolarHBondContact OG-N 3.2Å; L170-F199 HydrophobicContact CD1-CE2 4.19Å; L170-F199 HydrophobicContact CD2-CD2 3.73Å; L170-F199 HydrophobicContact CD2-CE2 3.86Å; F199-K201 HydrophobicContact CE1-CD 4.37Å; F199-K201 HydrophobicContact CE1-CG 3.58Å; F199-K201 HydrophobicContact CZ-CG 3.83Å
200C63.3Low68.2Low21 Ų2143.2 Ų43.214%0.14223%0.229CC..  trans-147.5123.2-177.2-88.20000111.1R135R135-C200 VanDerWaalsContact CD-CB 3.5Å; R135-C200 HydrophobicContact CG-CB 3.92Å; R135-C200 PolarHBondContact NE-SG 3.46Å; R135-C200 PolarHBondContact NH2-SG 3.14Å
201K51.2Low67.8Low178 Ų17837.3 Ų37.377%0.77420%0.198SC*.  trans-79.1-16.2-171.8-74.5-175.4178178.50116.4F199F199-K201 HydrophobicContact CE1-CD 4.37Å; F199-K201 HydrophobicContact CE1-CG 3.58Å; F199-K201 HydrophobicContact CZ-CG 3.83Å
202S42.7Very low67.6Low75 Ų7534.3 Ų34.352%0.52419%0.185SC..  trans-97.7129.3-179.486.20000111.7R135R135-S202 WeakPolarHBondContact CD-O 3.36Å; R135-S202 PolarHBondContact NH1-O 3.08Å; R135-S202 PolarHBondContact NH1-OG 2.74Å
203T36.5Very low67.6Low102 Ų10234.3 Ų34.363%0.62619%0.185SC*.  trans-107.256-166.654.30000112.5D136D136-T203 VanDerWaalsContact OD2-C 3.22Å
204E32.6Very low67.7Low151 Ų15134.1 Ų34.171%0.70618%0.184SC*.  trans-126.8122.7175-66.5-168.6157.600112.8D136D136-E204 WeakPolarHBondContact OD2-CA 3.5Å; D136-E204 PolarHBondContact OD2-N 2.81Å
205S41.3Very low67.7Low38 Ų3834.1 Ų34.127%0.26618%0.184SC..  trans89.8146.4157.81340000117.4D136D136-S205 PolarHBondContact OD2-N 2.77Å
206C43.1Very low67.7Low33 Ų3334.1 Ų34.122%0.22318%0.184CC..  cis-158152.9-26.7-52.40000106.1R329C206-R329 WeakPolarHBondContact CA-O 3.48Å; C206-R329 WeakPolarHBondContact CB-O 3.4Å; C206-R329 VanDerWaalsContact SG-CA 3.53Å; C206-R329 WeakPolarHBondContact SG-CB 3.12Å; C206-R329 VanDerWaalsContact SG-CG 3.56Å; C206-R329 PolarHBondContact SG-O 2.89Å
207C38.8Very low67.7Low8 Ų839.4 Ų39.45%0.05421%0.208CC..  trans-134.6115.4154.2-129.70000109.4D137 S331D137-C207 PolarHBondContact OD1-SG 2.85Å; C207-S331 PolarHBondContact N-OG 3.02Å; C207-S331 VanDerWaalsContact O-CB 3.32Å; C207-S331 WeakPolarHBondContact O-CB 3.28Å; C207-S331 PolarHBondContact O-OG 3.24Å
208N49.2Very low67.6Low37 Ų3741.7 Ų41.720%0.19822%0.224CC..  trans-103.2119.9-176.3-76.9-5.7000110.2R210N208-R210 PolarHBondContact O-N 3.19Å
209G53.2Low67.9Low3 Ų341.7 Ų41.73%0.03123%0.225CC..  trans-61.4124.4168.600000110.4
210R69.8Low68.7Low15 Ų1543.8 Ų43.86%0.05724%0.238CC..  trans-104.429.1177.7-68.7-170.8167.5-165.2-16.5112.5N208 N358 V365 S369 Y370 F372 A373N208-R210 PolarHBondContact O-N 3.19Å; R210-N358 PolarHBondContact NH2-OD1 2.92Å; R210-V365 VanDerWaalsContact NH2-CG1 3.32Å; R210-S369 VanDerWaalsContact NH1-CB 3.34Å; R210-Y370 WeakPolarHBondContact CD-O 3.33Å; R210-Y370 PolarHBondContact NH1-O 2.97Å; R210-F372 HydrophobicContact CB-CD1 4.11Å; R210-F372 HydrophobicContact CB-CD2 4.49Å; R210-F372 HydrophobicContact CB-CE1 3.85Å; R210-F372 HydrophobicContact CB-CE2 4.27Å; R210-F372 HydrophobicContact CB-CG 4.38Å; R210-F372 HydrophobicContact CB-CZ 3.89Å; R210-F372 HydrophobicContact CG-CE1 4.27Å; R210-F372 HydrophobicContact CG-CE2 4.05Å; R210-F372 HydrophobicContact CG-CZ 3.79Å; R210-F372 WeakPolarHBondContact O-CD1 3.49Å; R210-A373 PolarHBondContact O-N 3.02Å
211S81.5Confident70.2Confident0 Ų043.8 Ų43.80%024%0.236CC..EExtended strand (participates in β ladder)trans-101136.9173.21760000110.3Y227 H242 S243 A373S211-Y227 PolarHBondContact OG-OH 2.83Å; S211-H242 WeakPolarHBondContact CB-O 3.27Å; S211-S243 VanDerWaalsContact O-CA 3.28Å; S211-S243 WeakPolarHBondContact O-CA 3.39Å; S211-S243 PolarHBondContact OG-OG 3.43Å; S211-A373 CarbonylContact C-O 3.49Å; S211-A373 VanDerWaalsContact CA-O 3.25Å; S211-A373 WeakPolarHBondContact CA-O 3.5Å
212I90.6Very high72.3Confident0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans-125131175-59.6178.6000108.9M214 I245 L247 L350 F353 I354 F357 F372 A373 I374 N375I212-M214 HydrophobicContact CG2-CG 4.48Å; I212-I245 WeakPolarHBondContact CA-O 3.49Å; I212-I245 HydrophobicContact CG1-CB 4.19Å; I212-I245 HydrophobicContact CG2-CB 4.21Å; I212-I245 HydrophobicContact CG2-CG2 4.08Å; I212-L247 HydrophobicContact CG2-CD1 4.39Å; I212-L247 HydrophobicContact CG2-CG 4.28Å; I212-L350 HydrophobicContact CB-CD1 4.07Å; I212-L350 HydrophobicContact CD1-CD1 3.51Å; I212-L350 HydrophobicContact CG1-CD1 4.34Å; I212-L350 HydrophobicContact CG2-CD1 3.9Å; I212-F353 HydrophobicContact CD1-CB 4.14Å; I212-I354 HydrophobicContact CD1-CG1 4.41Å; I212-F357 HydrophobicContact CD1-CE2 4.15Å; I212-F372 HydrophobicContact CD1-CE1 4.22Å; I212-A373 PolarHBondContact N-O 2.83Å; I212-I374 HydrophobicContact CB-CG2 4.37Å; I212-I374 CarbonylContact O-C 3.57Å; I212-I374 VanDerWaalsContact O-CA 3.22Å; I212-I374 WeakPolarHBondContact O-CA 3.07Å; I212-N375 PolarHBondContact O-N 2.96Å
213A94Very high74.7Confident0 Ų035.7 Ų35.70%020%0.199CC..EExtended strand (participates in β ladder)trans-93.6135.5174.400000110.2I215 Y227 I245 I246 L247A213-I215 HydrophobicContact CB-CD1 4.22Å; A213-Y227 HydrophobicContact CB-CE1 3.92Å; A213-I245 PolarHBondContact N-O 3.31Å; A213-I246 HydrophobicContact CB-CB 4.46Å; A213-I246 HydrophobicContact CB-CG1 4.21Å; A213-I246 HydrophobicContact CB-CG2 4.18Å; A213-L247 PolarHBondContact O-N 2.91Å
214M95.6Very high77.4Confident0 Ų030.8 Ų30.80%017%0.17CC..EExtended strand (participates in β ladder)trans-124.6113.2176.3-60.9-176.678.200109.8I212 Y216 L247 S346 L350 I374 N375 W377I212-M214 HydrophobicContact CG2-CG 4.48Å; M214-Y216 HydrophobicContact CB-CE2 3.96Å; M214-Y216 WeakPolarHBondContact CE-OH 3.37Å; M214-L247 CarbonylContact C-O 3.02Å; M214-L247 WeakPolarHBondContact CA-O 3.45Å; M214-L247 HydrophobicContact CE-CD1 4.17Å; M214-L247 HydrophobicContact CG-CB 4.4Å; M214-L247 HydrophobicContact CG-CD1 4.3Å; M214-S346 WeakPolarHBondContact CE-OG 3.49Å; M214-L350 HydrophobicContact SD-CD2 4.13Å; M214-I374 HydrophobicContact SD-CD1 4.49Å; M214-N375 PolarHBondContact N-O 2.75Å; M214-W377 PolarHBondContact O-N 3.32Å
215I96.4Very high80.4Confident0 Ų023.6 Ų23.60%014%0.136CC..EExtended strand (participates in β ladder)trans-111.3112.1-171.6-40.6-54.7000109.9A213 S219 A224 I246 L247 V248 E249 I252 F256 W377A213-I215 HydrophobicContact CB-CD1 4.22Å; I215-S219 WeakPolarHBondContact CG2-OG 3.49Å; I215-A224 HydrophobicContact CD1-CB 4.05Å; I215-A224 HydrophobicContact CG2-CB 4.04Å; I215-I246 HydrophobicContact CG1-CG2 4.12Å; I215-L247 PolarHBondContact N-O 2.77Å; I215-V248 HydrophobicContact CB-CG1 4.31Å; I215-V248 HydrophobicContact CB-CG2 4.24Å; I215-V248 HydrophobicContact CG1-CG2 4.09Å; I215-E249 PolarHBondContact O-N 3.26Å; I215-I252 HydrophobicContact CG2-CD1 3.77Å; I215-F256 HydrophobicContact CG1-CE2 4.05Å; I215-F256 HydrophobicContact CG1-CZ 3.97Å; I215-F256 HydrophobicContact CG2-CD2 4.12Å; I215-F256 HydrophobicContact CG2-CE2 4.09Å; I215-W377 HydrophobicContact CD1-CB 3.76Å; I215-W377 HydrophobicContact CD1-CG 3.59Å; I215-W377 HydrophobicContact CG2-CB 4.29Å
216Y95.1Very high82.8Confident2 Ų227.9 Ų27.91%0.00815%0.146CC..  trans-98.3162.7-179.4-68.5-86.2000112.3M214 S218 S219 E249 I252 F340 V343 S346 I376 W377 Q378 L387M214-Y216 HydrophobicContact CB-CE2 3.96Å; M214-Y216 WeakPolarHBondContact CE-OH 3.37Å; Y216-S218 VanDerWaalsContact C-N 3.26Å; Y216-S218 PolarHBondContact O-N 2.82Å; Y216-S218 VanDerWaalsContact O-N 3.15Å; Y216-S219 WeakPolarHBondContact O-CB 3.18Å; Y216-S219 PolarHBondContact O-N 2.96Å; Y216-S219 PolarHBondContact O-OG 3.27Å; Y216-E249 WeakPolarHBondContact CA-OE2 3.49Å; Y216-I252 VanDerWaalsContact O-CD1 3.23Å; Y216-I252 WeakPolarHBondContact O-CD1 3.38Å; Y216-F340 AromaticContact CD1-CE2 3.91Å; Y216-F340 HydrophobicContact CD1-CE2 3.91Å; Y216-F340 AromaticContact CD1-CZ 3.83Å; Y216-F340 HydrophobicContact CD1-CZ 3.83Å; Y216-F340 AromaticContact CE1-CE2 3.65Å; Y216-F340 HydrophobicContact CE1-CE2 3.65Å; Y216-F340 AromaticContact CE1-CZ 3.63Å; Y216-F340 HydrophobicContact CE1-CZ 3.63Å; Y216-F340 HydrophobicContact CG-CZ 4.41Å; Y216-V343 HydrophobicContact CE1-CG2 4Å; Y216-S346 PolarHBondContact OH-OG 2.83Å; Y216-I376 HydrophobicContact CD2-CG2 4.04Å; Y216-I376 HydrophobicContact CE2-CG2 3.92Å; Y216-W377 PolarHBondContact N-O 3.11Å; Y216-W377 VanDerWaalsContact N-O 3.13Å; Y216-Q378 VanDerWaalsContact CB-NE2 3.26Å; Y216-Q378 HydrophobicContact CD2-CB 4.35Å; Y216-L387 HydrophobicContact CD2-CD1 4.1Å; Y216-L387 HydrophobicContact CE1-CD1 4.25Å; Y216-L387 HydrophobicContact CE1-CD2 4.35Å; Y216-L387 HydrophobicContact CE2-CD1 3.45Å; Y216-L387 VanDerWaalsContact CE2-CD1 3.45Å; Y216-L387 HydrophobicContact CE2-CD2 4.44Å; Y216-L387 WeakPolarHBondContact OH-CD2 3.42Å
217Q93.7Very high85.2Confident116 Ų11626.6 Ų26.654%0.54214%0.137SC..THydrogen-bonded Turntrans-52.3-40.2-174.1-180174.8-6.100114.4S219 E249 S251 I252Q217-S219 VanDerWaalsContact C-N 3.28Å; Q217-S219 PolarHBondContact O-N 3.3Å; Q217-E249 WeakPolarHBondContact CB-OE2 3.43Å; Q217-E249 PolarHBondContact N-OE2 3.36Å; Q217-S251 WeakPolarHBondContact CB-OG 3.32Å; Q217-S251 WeakPolarHBondContact CG-OG 3.12Å; Q217-S251 PolarHBondContact OE1-OG 3.35Å; Q217-I252 HydrophobicContact CB-CG2 4.39Å; Q217-I252 HydrophobicContact CG-CG2 4.11Å
218S90.6Very high87.7Confident49 Ų4926.2 Ų26.234%0.34313%0.134SC..THydrogen-bonded Turntrans-83.20.8-177.732.60000113.9Y216 Q378 T379Y216-S218 VanDerWaalsContact C-N 3.26Å; Y216-S218 PolarHBondContact O-N 2.82Å; Y216-S218 VanDerWaalsContact O-N 3.15Å; S218-Q378 PolarHBondContact OG-NE2 3.41Å; S218-Q378 PolarHBondContact OG-OE1 3Å; S218-T379 VanDerWaalsContact O-CG2 3.32Å; S218-T379 WeakPolarHBondContact O-CG2 3.43Å; S218-T379 PolarHBondContact O-OG1 3.16Å
219S92.1Very high89.7Confident12 Ų1224.8 Ų24.88%0.08413%0.127CC..SBendtrans-61.6153.4175.560.90000113.2I215 Y216 Q217 I221 W377I215-S219 WeakPolarHBondContact CG2-OG 3.49Å; Y216-S219 WeakPolarHBondContact O-CB 3.18Å; Y216-S219 PolarHBondContact O-N 2.96Å; Y216-S219 PolarHBondContact O-OG 3.27Å; Q217-S219 VanDerWaalsContact C-N 3.28Å; Q217-S219 PolarHBondContact O-N 3.3Å; S219-I221 PolarHBondContact O-N 3.09Å; S219-I221 VanDerWaalsContact O-N 3.08Å; S219-W377 WeakPolarHBondContact CB-O 3.37Å
220D92.2Very high91.3Very high79 Ų7926 Ų2642%0.42214%0.135SC..  trans-71.398157.2177.54.3000109D222 S223 A224D220-D222 PolarHBondContact O-N 3.42Å; D220-D222 PolarHBondContact OD1-N 3.38Å; D220-S223 PolarHBondContact O-N 3Å; D220-S223 PolarHBondContact OD1-N 3.43Å; D220-S223 VanDerWaalsContact OD2-CB 3.26Å; D220-S223 WeakPolarHBondContact OD2-CB 3.27Å; D220-S223 PolarHBondContact OD2-OG 3Å; D220-A224 VanDerWaalsContact O-CB 3.31Å; D220-A224 WeakPolarHBondContact O-CB 3.39Å; D220-A224 PolarHBondContact O-N 2.93Å
221I94.6Very high92.2Very high21 Ų2125.5 Ų25.511%0.10813%0.134CC..Hα-helixtrans-55.3-35.9-179.3-64.1175.4000111.7S219 A225 I252 R255 F256 R259S219-I221 PolarHBondContact O-N 3.09Å; S219-I221 VanDerWaalsContact O-N 3.08Å; I221-A225 WeakPolarHBondContact O-CB 3.41Å; I221-A225 PolarHBondContact O-N 2.93Å; I221-I252 HydrophobicContact CD1-CB 4.07Å; I221-I252 HydrophobicContact CD1-CG2 4.02Å; I221-I252 HydrophobicContact CG1-CD1 4.42Å; I221-R255 HydrophobicContact CD1-CB 4.22Å; I221-F256 HydrophobicContact CG2-CB 4.44Å; I221-F256 HydrophobicContact CG2-CD2 4.16Å; I221-R259 HydrophobicContact CG2-CB 4.21Å; I221-R259 HydrophobicContact CG2-CG 4.5Å
222D93.9Very high92.4Very high37 Ų3725.5 Ų25.520%0.19813%0.134CC..Hα-helixtrans-69.5-51.4-178-175.249.6000111D220 A224 A225 R226 R259D220-D222 PolarHBondContact O-N 3.42Å; D220-D222 PolarHBondContact OD1-N 3.38Å; D222-A224 VanDerWaalsContact C-N 3.32Å; D222-A224 PolarHBondContact O-N 3.28Å; D222-A225 PolarHBondContact O-N 3.13Å; D222-R226 WeakPolarHBondContact O-CG 3.34Å; D222-R226 PolarHBondContact O-N 3.03Å; D222-R226 IonicContact OD1-NE 3.62Å; D222-R226 PolarHBondContact OD1-NE 3.2Å; D222-R226 IonicContact OD1-NH2 3.93Å; D222-R226 IonicContact OD2-CZ 3.17Å; D222-R226 IonicContact OD2-NE 3.1Å; D222-R226 PolarHBondContact OD2-NE 3.32Å; D222-R226 IonicContact OD2-NH2 2.7Å; D222-R226 PolarHBondContact OD2-NH2 2.98Å; D222-R259 IonicContact OD1-CZ 3.98Å; D222-R259 IonicContact OD1-NE 3.83Å; D222-R259 PolarHBondContact OD1-NE 3.18Å; D222-R259 IonicContact OD1-NH2 2.84Å; D222-R259 PolarHBondContact OD1-NH2 3.02Å; D222-R259 IonicContact OD2-NH2 3.48Å
223S93.2Very high92.2Very high46 Ų4628.7 Ų28.732%0.32215%0.149SC..Hα-helixtrans-62-41.2178.2-65.50000111.8D220 R226 Y227 W377D220-S223 PolarHBondContact O-N 3Å; D220-S223 PolarHBondContact OD1-N 3.43Å; D220-S223 VanDerWaalsContact OD2-CB 3.26Å; D220-S223 WeakPolarHBondContact OD2-CB 3.27Å; D220-S223 PolarHBondContact OD2-OG 3Å; S223-R226 PolarHBondContact O-N 2.94Å; S223-Y227 PolarHBondContact O-N 3.34Å; S223-W377 VanDerWaalsContact CB-CZ3 3.43Å; S223-W377 WeakPolarHBondContact O-CH2 3.23Å
224A94.8Very high91.6Very high0 Ų029.9 Ų29.90%016%0.155CC..Hα-helixtrans-61-46.4175.500000112.3I215 D220 D222 Y227 C228 F256 W377I215-A224 HydrophobicContact CD1-CB 4.05Å; I215-A224 HydrophobicContact CG2-CB 4.04Å; D220-A224 VanDerWaalsContact O-CB 3.31Å; D220-A224 WeakPolarHBondContact O-CB 3.39Å; D220-A224 PolarHBondContact O-N 2.93Å; D222-A224 VanDerWaalsContact C-N 3.32Å; D222-A224 PolarHBondContact O-N 3.28Å; A224-Y227 WeakPolarHBondContact O-CB 3.35Å; A224-Y227 PolarHBondContact O-N 3.26Å; A224-C228 PolarHBondContact O-N 3.49Å; A224-C228 VanDerWaalsContact O-N 3.07Å; A224-C228 PolarHBondContact O-SG 3.04Å; A224-F256 HydrophobicContact CB-CE2 3.93Å; A224-W377 HydrophobicContact CB-CB 4.14Å; A224-W377 HydrophobicContact CB-CD2 3.54Å; A224-W377 HydrophobicContact CB-CE3 3.7Å; A224-W377 HydrophobicContact CB-CG 3.75Å; A224-W377 HydrophobicContact CB-CZ3 4.37Å
225A94.8Very high90.6Very high0 Ų030.2 Ų30.20%016%0.158CC..Hα-helixtrans-66.4-41178.800000111.5I221 D222 Y227 C228 V229 F256 R259 M260 L263I221-A225 WeakPolarHBondContact O-CB 3.41Å; I221-A225 PolarHBondContact O-N 2.93Å; D222-A225 PolarHBondContact O-N 3.13Å; A225-Y227 VanDerWaalsContact C-N 3.31Å; A225-Y227 PolarHBondContact O-N 2.97Å; A225-C228 PolarHBondContact O-N 2.71Å; A225-V229 WeakPolarHBondContact O-CG2 3.37Å; A225-V229 PolarHBondContact O-N 3.49Å; A225-F256 HydrophobicContact CB-CD2 4.35Å; A225-F256 HydrophobicContact CB-CE2 3.95Å; A225-R259 HydrophobicContact CB-CB 4.23Å; A225-R259 HydrophobicContact CB-CG 3.85Å; A225-M260 HydrophobicContact CB-CG 3.85Å; A225-L263 HydrophobicContact CB-CD1 3.61Å
226R92Very high89.8Confident128 Ų12830.4 Ų30.448%0.48316%0.159SC..Hα-helixtrans-60.6-40.4174.2-72.4-177.4-160.7-157.78.9111.8D222 S223 S230 L263D222-R226 WeakPolarHBondContact O-CG 3.34Å; D222-R226 PolarHBondContact O-N 3.03Å; D222-R226 IonicContact OD1-NE 3.62Å; D222-R226 PolarHBondContact OD1-NE 3.2Å; D222-R226 IonicContact OD1-NH2 3.93Å; D222-R226 IonicContact OD2-CZ 3.17Å; D222-R226 IonicContact OD2-NE 3.1Å; D222-R226 PolarHBondContact OD2-NE 3.32Å; D222-R226 IonicContact OD2-NH2 2.7Å; D222-R226 PolarHBondContact OD2-NH2 2.98Å; S223-R226 PolarHBondContact O-N 2.94Å; R226-S230 WeakPolarHBondContact O-CB 3.45Å; R226-S230 PolarHBondContact O-N 3.46Å; R226-S230 PolarHBondContact O-OG 3.17Å; R226-L263 HydrophobicContact CB-CD1 4.4Å; R226-L263 HydrophobicContact CG-CD1 3.73Å; R226-L263 HydrophobicContact CG-CD2 3.9Å; R226-L263 HydrophobicContact CG-CG 4.5Å
227Y92.7Very high88.8Confident6 Ų630.3 Ų30.32%0.02416%0.159CC..Hα-helixtrans-59-51.1173.7161.6-92.7000111.8S211 A213 S223 A224 A225 V229 S230 S231 S243 N375 W377 A403 L408S211-Y227 PolarHBondContact OG-OH 2.83Å; A213-Y227 HydrophobicContact CB-CE1 3.92Å; S223-Y227 PolarHBondContact O-N 3.34Å; A224-Y227 WeakPolarHBondContact O-CB 3.35Å; A224-Y227 PolarHBondContact O-N 3.26Å; A225-Y227 VanDerWaalsContact C-N 3.31Å; A225-Y227 PolarHBondContact O-N 2.97Å; Y227-V229 PolarHBondContact O-N 2.93Å; Y227-S230 PolarHBondContact O-N 3Å; Y227-S231 WeakPolarHBondContact O-CB 3.31Å; Y227-S231 PolarHBondContact O-N 2.92Å; Y227-S231 PolarHBondContact O-OG 3.36Å; Y227-S243 PolarHBondContact OH-OG 3.07Å; Y227-N375 WeakPolarHBondContact CD2-ND2 3.46Å; Y227-N375 HydrophobicContact CE1-CB 4.34Å; Y227-N375 WeakPolarHBondContact CE2-ND2 3.17Å; Y227-W377 HydrophobicContact CD1-CZ2 4.19Å; Y227-W377 AromaticContact CD1-NE1 3.55Å; Y227-W377 HydrophobicContact CD2-CZ2 4.16Å; Y227-W377 AromaticContact CG-CZ2 3.62Å; Y227-W377 HydrophobicContact CG-CZ2 3.62Å; Y227-W377 AromaticContact CG-NE1 3.89Å; Y227-A403 WeakPolarHBondContact CD2-O 3.45Å; Y227-L408 HydrophobicContact CE2-CD1 4.36Å
228C92.7Very high87.8Confident0 Ų025 Ų250%013%0.134CC..Hα-helixtrans-62.5-43.8-178.1-71.30000112.2A224 A225 S231 L232 I246 F256 M260A224-C228 PolarHBondContact O-N 3.49Å; A224-C228 VanDerWaalsContact O-N 3.07Å; A224-C228 PolarHBondContact O-SG 3.04Å; A225-C228 PolarHBondContact O-N 2.71Å; C228-S231 PolarHBondContact O-OG 3.25Å; C228-S231 VanDerWaalsContact O-OG 3.05Å; C228-L232 VanDerWaalsContact O-CD1 3.31Å; C228-L232 WeakPolarHBondContact O-CD1 3.32Å; C228-L232 WeakPolarHBondContact O-CG 3.38Å; C228-L232 PolarHBondContact O-N 3.47Å; C228-I246 HydrophobicContact CB-CD1 3.75Å; C228-F256 HydrophobicContact CB-CZ 4.43Å; C228-M260 HydrophobicContact CB-SD 4.23Å
229V90.4Very high86.9Confident6 Ų623 Ų234%0.03612%0.121CC..Hα-helixtrans-65.9-45.9176.7173.80000110.6A225 Y227 S231 L232 Q233 M260 L263 I264 P314 I316A225-V229 WeakPolarHBondContact O-CG2 3.37Å; A225-V229 PolarHBondContact O-N 3.49Å; Y227-V229 PolarHBondContact O-N 2.93Å; V229-S231 VanDerWaalsContact C-N 3.34Å; V229-S231 PolarHBondContact O-N 2.99Å; V229-L232 PolarHBondContact O-N 3.42Å; V229-Q233 HydrophobicContact CG1-CG 4.47Å; V229-Q233 WeakPolarHBondContact O-CG 3.17Å; V229-Q233 PolarHBondContact O-N 2.83Å; V229-M260 HydrophobicContact CG2-CB 4.47Å; V229-M260 HydrophobicContact CG2-CG 4.37Å; V229-L263 HydrophobicContact CG2-CB 4.29Å; V229-I264 HydrophobicContact CG1-CG1 4.35Å; V229-I264 HydrophobicContact CG2-CG1 4.15Å; V229-P314 HydrophobicContact CG1-CG 4.33Å; V229-I316 HydrophobicContact CG2-CD1 4.48Å
230S87.5Confident85.9Confident29 Ų2923 Ų2320%0.20312%0.12CC..Hα-helixtrans-66.2-35-179.5-57.80000112.2R226 Y227 L232 Q233 N234R226-S230 WeakPolarHBondContact O-CB 3.45Å; R226-S230 PolarHBondContact O-N 3.46Å; R226-S230 PolarHBondContact O-OG 3.17Å; Y227-S230 PolarHBondContact O-N 3Å; S230-L232 PolarHBondContact O-N 3.17Å; S230-Q233 PolarHBondContact O-N 3.02Å; S230-N234 VanDerWaalsContact O-CB 3.26Å; S230-N234 WeakPolarHBondContact O-CB 3.5Å; S230-N234 PolarHBondContact O-N 3.03Å; S230-N234 PolarHBondContact O-ND2 3.42Å
231S88.1Confident84.8Confident5 Ų519.7 Ų19.74%0.03511%0.105CC..Hα-helixtrans-69.2-23.5178.973.20000112.8Y227 C228 V229Y227-S231 WeakPolarHBondContact O-CB 3.31Å; Y227-S231 PolarHBondContact O-N 2.92Å; Y227-S231 PolarHBondContact O-OG 3.36Å; C228-S231 PolarHBondContact O-OG 3.25Å; C228-S231 VanDerWaalsContact O-OG 3.05Å; V229-S231 VanDerWaalsContact C-N 3.34Å; V229-S231 PolarHBondContact O-N 2.99Å
232L86.4Confident84.1Confident0 Ų019 Ų190%010%0.101CC..Hα-helixtrans-81.6-38.8172.8-69.5159.2000112.1C228 V229 S230 M236 G237 H242 P314 I316 P333 V334 A335C228-L232 VanDerWaalsContact O-CD1 3.31Å; C228-L232 WeakPolarHBondContact O-CD1 3.32Å; C228-L232 WeakPolarHBondContact O-CG 3.38Å; C228-L232 PolarHBondContact O-N 3.47Å; V229-L232 PolarHBondContact O-N 3.42Å; S230-L232 PolarHBondContact O-N 3.17Å; L232-M236 CarbonylContact O-C 3.5Å; L232-G237 PolarHBondContact O-N 2.87Å; L232-H242 WeakPolarHBondContact CD2-NE2 3.45Å; L232-P314 HydrophobicContact CB-CB 3.7Å; L232-P314 HydrophobicContact CB-CG 3.81Å; L232-P314 HydrophobicContact CD1-CB 3.88Å; L232-P314 HydrophobicContact CG-CB 4.35Å; L232-I316 HydrophobicContact CD1-CD1 4.17Å; L232-I316 HydrophobicContact CD1-CG1 3.98Å; L232-P333 HydrophobicContact CB-CB 4.47Å; L232-P333 VanDerWaalsContact O-CB 3.28Å; L232-P333 WeakPolarHBondContact O-CB 3.47Å; L232-V334 VanDerWaalsContact CD2-C 3.43Å; L232-A335 HydrophobicContact CD1-CB 3.79Å; L232-A335 HydrophobicContact CD2-CB 3.82Å; L232-A335 HydrophobicContact CG-CB 4.3Å
233Q84.6Confident83.6Confident67 Ų6717.2 Ų17.231%0.3139%0.092SC..Hα-helixtrans-72.5-48.1179.3-70.5175.8-34.300111.9V229 S230 A235 M236 P314V229-Q233 HydrophobicContact CG1-CG 4.47Å; V229-Q233 WeakPolarHBondContact O-CG 3.17Å; V229-Q233 PolarHBondContact O-N 2.83Å; S230-Q233 PolarHBondContact O-N 3.02Å; Q233-A235 PolarHBondContact O-N 3.19Å; Q233-M236 PolarHBondContact O-N 3.01Å; Q233-P314 HydrophobicContact CG-CG 3.4Å
234N81.6Confident83.3Confident24 Ų2415.9 Ų15.913%0.1288%0.081CC..G310 helixtrans-62.9130.3179.9-67.2-42.8000109.4F100 S230 M236 G237 S405F100-N234 HydrophobicContact CD1-CB 4.14Å; F100-N234 HydrophobicContact CD2-CB 3.86Å; F100-N234 HydrophobicContact CE1-CB 4.31Å; F100-N234 HydrophobicContact CE2-CB 4.05Å; F100-N234 HydrophobicContact CG-CB 3.91Å; F100-N234 HydrophobicContact CZ-CB 4.27Å; S230-N234 VanDerWaalsContact O-CB 3.26Å; S230-N234 WeakPolarHBondContact O-CB 3.5Å; S230-N234 PolarHBondContact O-N 3.03Å; S230-N234 PolarHBondContact O-ND2 3.42Å; N234-M236 PolarHBondContact O-N 3.3Å; N234-G237 PolarHBondContact O-N 3.4Å; N234-S405 PolarHBondContact ND2-OG 2.92Å; N234-S405 VanDerWaalsContact ND2-OG 3.11Å
235A75.3Confident83.1Confident8 Ų815.9 Ų15.97%0.0668%0.081CC..G310 helixtrans55.521.7-179.800000114.3F95 S97 F100 F101 Q233 G237 T238F95-A235 HydrophobicContact CE2-CB 4.45Å; F95-A235 VanDerWaalsContact CZ-CA 3.47Å; F95-A235 HydrophobicContact CZ-CB 4.29Å; S97-A235 PolarHBondContact OG-N 2.83Å; F100-A235 HydrophobicContact CE1-CB 4.36Å; F101-A235 HydrophobicContact CZ-CB 4.35Å; Q233-A235 PolarHBondContact O-N 3.19Å; A235-G237 PolarHBondContact O-N 3.33Å; A235-T238 PolarHBondContact O-N 3.12Å; A235-T238 PolarHBondContact O-OG1 2.85Å
236M79.7Confident83.1Confident3 Ų315.9 Ų15.92%0.0158%0.081CC..G310 helixtrans53.827.1-179-70.1-61.8-73.400115.1F95 L232 Q233 N234 T238 Y281 H312 G332 P333F95-M236 HydrophobicContact CB-CG 3.57Å; F95-M236 HydrophobicContact CB-SD 4.2Å; F95-M236 HydrophobicContact CD1-CB 3.98Å; F95-M236 HydrophobicContact CD1-CG 3.25Å; F95-M236 HydrophobicContact CD2-CG 3.89Å; F95-M236 HydrophobicContact CE1-CB 4.05Å; F95-M236 HydrophobicContact CE1-CG 3.81Å; F95-M236 HydrophobicContact CE2-CG 4.42Å; F95-M236 HydrophobicContact CG-CB 4.37Å; F95-M236 HydrophobicContact CG-CG 3.3Å; F95-M236 HydrophobicContact CG-SD 4.48Å; F95-M236 HydrophobicContact CZ-CG 4.4Å; L232-M236 CarbonylContact O-C 3.5Å; Q233-M236 PolarHBondContact O-N 3.01Å; N234-M236 PolarHBondContact O-N 3.3Å; M236-T238 VanDerWaalsContact C-N 3.3Å; M236-T238 HydrophobicContact CB-CG2 4.46Å; M236-T238 PolarHBondContact O-N 3.49Å; M236-Y281 HydrophobicContact CE-CD1 3.7Å; M236-Y281 HydrophobicContact CE-CE1 4.16Å; M236-H312 HydrophobicContact CE-CB 3.57Å; M236-H312 HydrophobicContact SD-CB 3.45Å; M236-H312 WeakPolarHBondContact SD-CB 3.44Å; M236-G332 CarbonylContact O-C 3.27Å; M236-G332 WeakPolarHBondContact O-CA 3.31Å; M236-P333 HydrophobicContact CE-CB 4.5Å; M236-P333 HydrophobicContact CE-CG 3.74Å; M236-P333 WeakPolarHBondContact O-CD 3.48Å; M236-P333 VanDerWaalsContact O-N 3.11Å; M236-P333 HydrophobicContact SD-CG 4.46Å
237G73.6Confident83.4Confident1 Ų19.8 Ų9.81%0.016%0.058CC..G310 helixtrans68.823.8-176.500000114.3L232 N234 A235 H242L232-G237 PolarHBondContact O-N 2.87Å; N234-G237 PolarHBondContact O-N 3.4Å; A235-G237 PolarHBondContact O-N 3.33Å; G237-H242 WeakPolarHBondContact CA-ND1 3.41Å; G237-H242 PolarHBondContact O-CE1 3.44Å; G237-H242 VanDerWaalsContact O-CG 3.32Å; G237-H242 PolarHBondContact O-ND1 3.42Å
238T72.6Confident83.6Confident3 Ų39.5 Ų9.52%0.0186%0.057CC..  trans-99.7-15.8-179.868.50000114.4C138 A235 M236 F284C138-T238 HydrophobicContact CB-CG2 4.48Å; C138-T238 WeakPolarHBondContact SG-CB 3.45Å; C138-T238 WeakPolarHBondContact SG-CG2 3.48Å; A235-T238 PolarHBondContact O-N 3.12Å; A235-T238 PolarHBondContact O-OG1 2.85Å; M236-T238 VanDerWaalsContact C-N 3.3Å; M236-T238 HydrophobicContact CB-CG2 4.46Å; M236-T238 PolarHBondContact O-N 3.49Å; T238-F284 HydrophobicContact CG2-CE2 4.01Å
239G72.3Confident83.8Confident7 Ų711.1 Ų11.17%0.0727%0.065CC..SBendtrans-86165.1-177.900000115D139 G241 H242D139-G239 WeakPolarHBondContact OD2-CA 3.45Å; G239-G241 PolarHBondContact O-N 2.96Å; G239-H242 VanDerWaalsContact O-CB 3.29Å; G239-H242 WeakPolarHBondContact O-CB 3.41Å; G239-H242 PolarHBondContact O-N 3.01Å
240I71.3Confident84.2Confident13 Ų1316.3 Ų16.37%0.0679%0.089CC..THydrogen-bonded Turntrans-52.3-29.8177.6-71.5172.2000113.5D139 F142 H242 Y370 M412 Y413D139-I240 PolarHBondContact OD2-N 2.79Å; F142-I240 HydrophobicContact CD2-CD1 3.81Å; I240-H242 VanDerWaalsContact C-N 3.29Å; I240-H242 PolarHBondContact O-N 3.47Å; I240-Y370 HydrophobicContact CD1-CD1 3.43Å; I240-Y370 VanDerWaalsContact CD1-CD1 3.43Å; I240-Y370 HydrophobicContact CD1-CE1 3.66Å; I240-Y370 HydrophobicContact CD1-CG 4.34Å; I240-Y370 HydrophobicContact CG1-CD1 3.74Å; I240-Y370 HydrophobicContact CG1-CE1 3.97Å; I240-Y370 HydrophobicContact CG1-CG 4.24Å; I240-M412 HydrophobicContact CG2-CB 3.87Å; I240-M412 HydrophobicContact CG2-CE 3.75Å; I240-M412 HydrophobicContact CG2-CG 4.15Å; I240-Y413 HydrophobicContact CB-CE1 4.32Å; I240-Y413 HydrophobicContact CD1-CD1 4.28Å; I240-Y413 HydrophobicContact CD1-CE1 3.84Å; I240-Y413 HydrophobicContact CG1-CE1 4.27Å; I240-Y413 PolarHBondContact N-OH 3.43Å
241G68.3Low84.6Confident10 Ų1018 Ų1810%0.10310%0.101CC..THydrogen-bonded Turntrans-77.9-6.4-179.200000115.9G239 S243 L408G239-G241 PolarHBondContact O-N 2.96Å; G241-S243 PolarHBondContact O-N 3.43Å; G241-L408 VanDerWaalsContact CA-CD2 3.5Å
242H80.4Confident85Confident6 Ų618 Ų183%0.02810%0.1CC..  trans-75.9121.1-175.4172-136000112.6S211 L232 G237 G239 I240 T244 G332 V334S211-H242 WeakPolarHBondContact CB-O 3.27Å; L232-H242 WeakPolarHBondContact CD2-NE2 3.45Å; G237-H242 WeakPolarHBondContact CA-ND1 3.41Å; G237-H242 PolarHBondContact O-CE1 3.44Å; G237-H242 VanDerWaalsContact O-CG 3.32Å; G237-H242 PolarHBondContact O-ND1 3.42Å; G239-H242 VanDerWaalsContact O-CB 3.29Å; G239-H242 WeakPolarHBondContact O-CB 3.41Å; G239-H242 PolarHBondContact O-N 3.01Å; I240-H242 VanDerWaalsContact C-N 3.29Å; I240-H242 PolarHBondContact O-N 3.47Å; H242-T244 WeakPolarHBondContact CE1-CG2 3.3Å; H242-T244 WeakPolarHBondContact ND1-CG2 3.47Å; H242-T244 PolarHBondContact O-N 2.91Å; H242-G332 PolarHBondContact CE1-O 2.87Å; H242-V334 PolarHBondContact CE1-O 3.34Å; H242-V334 PolarHBondContact NE2-O 2.85Å
243S83.4Confident85.5Confident0 Ų019.2 Ų19.20%011%0.105CC..EExtended strand (participates in β ladder)trans-90.592175.6-60.40000112.4S211 Y227 G241 I245S211-S243 VanDerWaalsContact O-CA 3.28Å; S211-S243 WeakPolarHBondContact O-CA 3.39Å; S211-S243 PolarHBondContact OG-OG 3.43Å; Y227-S243 PolarHBondContact OH-OG 3.07Å; G241-S243 PolarHBondContact O-N 3.43Å; S243-I245 VanDerWaalsContact C-N 3.28Å; S243-I245 PolarHBondContact O-N 2.86Å
244T85.9Confident86.1Confident17 Ų1724.1 Ų24.110%0.10413%0.125CC..EExtended strand (participates in β ladder)trans-67.2-28.1175.348.40000113H242 A335 F336H242-T244 WeakPolarHBondContact CE1-CG2 3.3Å; H242-T244 WeakPolarHBondContact ND1-CG2 3.47Å; H242-T244 PolarHBondContact O-N 2.91Å; T244-A335 CarbonylContact O-C 3.59Å; T244-A335 VanDerWaalsContact O-CA 3.3Å; T244-A335 WeakPolarHBondContact O-CA 3.46Å; T244-F336 PolarHBondContact O-N 3.37Å
245I92.1Very high86.8Confident0 Ų031 Ų310%015%0.149CC..EExtended strand (participates in β ladder)trans-116.5128.8178.3-58.4-62.7000109.5I212 A213 S243 L247 V325 F327 F336 L338 F353 F357I212-I245 WeakPolarHBondContact CA-O 3.49Å; I212-I245 HydrophobicContact CG1-CB 4.19Å; I212-I245 HydrophobicContact CG2-CB 4.21Å; I212-I245 HydrophobicContact CG2-CG2 4.08Å; A213-I245 PolarHBondContact N-O 3.31Å; S243-I245 VanDerWaalsContact C-N 3.28Å; S243-I245 PolarHBondContact O-N 2.86Å; I245-L247 HydrophobicContact CG2-CD2 3.86Å; I245-L247 HydrophobicContact CG2-CG 4.22Å; I245-V325 HydrophobicContact CD1-CG1 3.81Å; I245-F327 HydrophobicContact CD1-CE1 3.64Å; I245-F327 HydrophobicContact CD1-CZ 3.58Å; I245-F327 HydrophobicContact CG1-CE1 3.82Å; I245-F327 HydrophobicContact CG1-CZ 3.84Å; I245-F336 HydrophobicContact CD1-CB 4.05Å; I245-F336 HydrophobicContact CD1-CD2 4.23Å; I245-L338 HydrophobicContact CD1-CD1 4.33Å; I245-L338 HydrophobicContact CG2-CD1 3.85Å; I245-F353 HydrophobicContact CD1-CD1 4.42Å; I245-F353 HydrophobicContact CD1-CE1 4.23Å; I245-F353 HydrophobicContact CD1-CZ 4.48Å; I245-F353 HydrophobicContact CG1-CD1 4.45Å; I245-F353 HydrophobicContact CG1-CG 4.46Å; I245-F353 HydrophobicContact CG2-CD2 3.88Å; I245-F353 HydrophobicContact CG2-CE2 3.94Å; I245-F353 HydrophobicContact CG2-CG 4.39Å; I245-F353 HydrophobicContact CG2-CZ 4.47Å; I245-F357 HydrophobicContact CG1-CE2 4.32Å; I245-F357 HydrophobicContact CG1-CZ 4.15Å
246I95.2Very high87.8Confident0 Ų030.6 Ų30.60%015%0.146CC..EExtended strand (participates in β ladder)trans-123.2110.4177.5-54.6168.7000107.6A213 I215 C228 V248 F256 A335 F336 V337 L338A213-I246 HydrophobicContact CB-CB 4.46Å; A213-I246 HydrophobicContact CB-CG1 4.21Å; A213-I246 HydrophobicContact CB-CG2 4.18Å; I215-I246 HydrophobicContact CG1-CG2 4.12Å; C228-I246 HydrophobicContact CB-CD1 3.75Å; I246-V248 HydrophobicContact CG2-CG2 3.76Å; I246-F256 HydrophobicContact CG2-CE1 3.97Å; I246-F256 HydrophobicContact CG2-CZ 4.22Å; I246-A335 HydrophobicContact CD1-CB 3.7Å; I246-A335 HydrophobicContact CG1-CB 4.26Å; I246-F336 PolarHBondContact N-O 2.86Å; I246-V337 HydrophobicContact CB-CG1 4.5Å; I246-V337 HydrophobicContact CB-CG2 4.33Å; I246-V337 HydrophobicContact CD1-CG2 4.24Å; I246-V337 HydrophobicContact CG2-CG1 4.42Å; I246-V337 CarbonylContact O-C 3.12Å; I246-V337 WeakPolarHBondContact O-CA 3.45Å; I246-L338 PolarHBondContact O-N 3.21Å
247L96.9Very high88.6Confident0 Ų030.9 Ų30.90%015%0.147CC..EExtended strand (participates in β ladder)trans-92.4126.9174.4-57.1-175.8000108.4I212 A213 M214 I215 I245 L338 F340 L349 L350 F353I212-L247 HydrophobicContact CG2-CD1 4.39Å; I212-L247 HydrophobicContact CG2-CG 4.28Å; A213-L247 PolarHBondContact O-N 2.91Å; M214-L247 CarbonylContact C-O 3.02Å; M214-L247 WeakPolarHBondContact CA-O 3.45Å; M214-L247 HydrophobicContact CE-CD1 4.17Å; M214-L247 HydrophobicContact CG-CB 4.4Å; M214-L247 HydrophobicContact CG-CD1 4.3Å; I215-L247 PolarHBondContact N-O 2.77Å; I245-L247 HydrophobicContact CG2-CD2 3.86Å; I245-L247 HydrophobicContact CG2-CG 4.22Å; L247-L338 CarbonylContact C-O 3.59Å; L247-L338 WeakPolarHBondContact CA-O 3.17Å; L247-L338 HydrophobicContact CD2-CB 3.97Å; L247-L338 HydrophobicContact CD2-CD1 4.04Å; L247-F340 HydrophobicContact CB-CD1 3.81Å; L247-F340 HydrophobicContact CB-CE1 3.8Å; L247-L349 HydrophobicContact CD1-CB 4.19Å; L247-L349 HydrophobicContact CD2-CB 4.39Å; L247-L349 HydrophobicContact CD2-CD1 4.48Å; L247-L350 HydrophobicContact CD1-CB 4.36Å; L247-F353 HydrophobicContact CD2-CD2 4.46Å; L247-F353 HydrophobicContact CD2-CE2 4.05Å
248V97.9Very high89.6Confident0 Ų036 Ų360%018%0.175CC..EExtended strand (participates in β ladder)trans-129134.6-177-173.90000110.7I215 I246 E250 I252 Y253 F256 V337 L338 C339 F340I215-V248 HydrophobicContact CB-CG1 4.31Å; I215-V248 HydrophobicContact CB-CG2 4.24Å; I215-V248 HydrophobicContact CG1-CG2 4.09Å; I246-V248 HydrophobicContact CG2-CG2 3.76Å; V248-E250 PolarHBondContact O-N 2.65Å; V248-I252 HydrophobicContact CG1-CD1 4.19Å; V248-I252 HydrophobicContact CG1-CG1 3.98Å; V248-Y253 HydrophobicContact CB-CD2 4.15Å; V248-Y253 HydrophobicContact CG1-CD2 4.41Å; V248-F256 HydrophobicContact CG1-CB 4.08Å; V248-F256 HydrophobicContact CG1-CD1 4.15Å; V248-F256 HydrophobicContact CG1-CG 4.15Å; V248-F256 HydrophobicContact CG2-CD1 3.66Å; V248-F256 HydrophobicContact CG2-CE1 3.74Å; V248-F256 HydrophobicContact CG2-CG 4.37Å; V248-V337 HydrophobicContact CB-CG1 4.47Å; V248-V337 HydrophobicContact CG2-CG1 3.61Å; V248-L338 PolarHBondContact N-O 3.31Å; V248-C339 CarbonylContact O-C 3.53Å; V248-C339 VanDerWaalsContact O-CA 3.26Å; V248-C339 WeakPolarHBondContact O-CA 3.44Å; V248-F340 WeakPolarHBondContact O-CD1 3.26Å; V248-F340 PolarHBondContact O-N 3.35Å
249E97.3Very high90.7Very high35 Ų3539.8 Ų39.816%0.16419%0.189CC..EExtended strand (participates in β ladder)trans-66.3133.5176.7-163.5174.9158.300111.4I215 Y216 Q217 S251 I252 Y253 F340I215-E249 PolarHBondContact O-N 3.26Å; Y216-E249 WeakPolarHBondContact CA-OE2 3.49Å; Q217-E249 WeakPolarHBondContact CB-OE2 3.43Å; Q217-E249 PolarHBondContact N-OE2 3.36Å; E249-S251 PolarHBondContact O-N 3.33Å; E249-S251 VanDerWaalsContact O-N 3.09Å; E249-I252 HydrophobicContact CB-CG1 4.29Å; E249-I252 VanDerWaalsContact O-CG1 3.29Å; E249-I252 WeakPolarHBondContact O-CG1 3.21Å; E249-I252 PolarHBondContact O-N 3.43Å; E249-Y253 PolarHBondContact O-N 3.01Å; E249-F340 CarbonylContact C-O 3.54Å; E249-F340 WeakPolarHBondContact CA-O 3.35Å; E249-F340 HydrophobicContact CB-CD2 4.35Å; E249-F340 HydrophobicContact CB-CE2 3.63Å; E249-F340 HydrophobicContact CB-CZ 3.75Å; E249-F340 HydrophobicContact CG-CD2 4.3Å; E249-F340 HydrophobicContact CG-CE2 3.77Å; E249-F340 HydrophobicContact CG-CZ 4.4Å
250E97.2Very high91.7Very high114 Ų11439.5 Ų39.553%0.53319%0.185SC..Hα-helixtrans-53.6-36.5-172.4-176.8177.8-138.100112.4V248 I252 Y253 F340 R341V248-E250 PolarHBondContact O-N 2.65Å; E250-I252 PolarHBondContact O-N 3.49Å; E250-Y253 PolarHBondContact O-N 3.09Å; E250-F340 PolarHBondContact N-O 3.08Å; E250-R341 HydrophobicContact CB-CG 4.22Å; E250-R341 VanDerWaalsContact OE2-CG 3.28Å; E250-R341 WeakPolarHBondContact OE2-CG 3.2Å
251S96.6Very high92.6Very high65 Ų6541.7 Ų41.746%0.45520%0.197SC..Hα-helixtrans-60.5-26.8-179.460.70000113.9Q217 E249Q217-S251 WeakPolarHBondContact CB-OG 3.32Å; Q217-S251 WeakPolarHBondContact CG-OG 3.12Å; Q217-S251 PolarHBondContact OE1-OG 3.35Å; E249-S251 PolarHBondContact O-N 3.33Å; E249-S251 VanDerWaalsContact O-N 3.09Å
252I96.9Very high93.6Very high5 Ų542.8 Ų42.83%0.02620%0.203CC..Hα-helixtrans-115.7-8-179.658.6162.3000113.6I215 Y216 Q217 I221 V248 E249 E250 K254 R255 F256I215-I252 HydrophobicContact CG2-CD1 3.77Å; Y216-I252 VanDerWaalsContact O-CD1 3.23Å; Y216-I252 WeakPolarHBondContact O-CD1 3.38Å; Q217-I252 HydrophobicContact CB-CG2 4.39Å; Q217-I252 HydrophobicContact CG-CG2 4.11Å; I221-I252 HydrophobicContact CD1-CB 4.07Å; I221-I252 HydrophobicContact CD1-CG2 4.02Å; I221-I252 HydrophobicContact CG1-CD1 4.42Å; V248-I252 HydrophobicContact CG1-CD1 4.19Å; V248-I252 HydrophobicContact CG1-CG1 3.98Å; E249-I252 HydrophobicContact CB-CG1 4.29Å; E249-I252 VanDerWaalsContact O-CG1 3.29Å; E249-I252 WeakPolarHBondContact O-CG1 3.21Å; E249-I252 PolarHBondContact O-N 3.43Å; E250-I252 PolarHBondContact O-N 3.49Å; I252-K254 PolarHBondContact O-N 3.44Å; I252-R255 WeakPolarHBondContact O-CB 3.48Å; I252-R255 PolarHBondContact O-N 3.25Å; I252-F256 PolarHBondContact O-N 3.34Å
253Y97.2Very high94Very high26 Ų2643.9 Ų43.910%0.10221%0.209CC..Hα-helixtrans-46.1-54.4-173.1178.7-96.2000113.6V248 E249 E250 R255 F256 I257 D319 V337 C339V248-Y253 HydrophobicContact CB-CD2 4.15Å; V248-Y253 HydrophobicContact CG1-CD2 4.41Å; E249-Y253 PolarHBondContact O-N 3.01Å; E250-Y253 PolarHBondContact O-N 3.09Å; Y253-R255 PolarHBondContact O-N 3.27Å; Y253-F256 WeakPolarHBondContact O-CB 3.49Å; Y253-F256 PolarHBondContact O-N 3.32Å; Y253-I257 HydrophobicContact CD1-CG1 4.33Å; Y253-I257 HydrophobicContact CE1-CG1 4.04Å; Y253-I257 HydrophobicContact CE2-CD1 4.32Å; Y253-I257 HydrophobicContact CE2-CG1 4.25Å; Y253-I257 WeakPolarHBondContact O-CG1 3.42Å; Y253-I257 PolarHBondContact O-N 3.33Å; Y253-D319 WeakPolarHBondContact CE1-OD1 3.48Å; Y253-D319 PolarHBondContact OH-N 3.3Å; Y253-D319 PolarHBondContact OH-OD1 2.87Å; Y253-V337 HydrophobicContact CD2-CG1 4.43Å; Y253-V337 HydrophobicContact CE2-CG1 3.89Å; Y253-C339 HydrophobicContact CD2-CB 3.98Å; Y253-C339 HydrophobicContact CE2-CB 4.27Å; Y253-C339 HydrophobicContact CG-CB 4.45Å
254K96.4Very high94Very high169 Ų16944.1 Ų44.174%0.73521%0.21SC*.Hα-helixtrans-61.8-41.6179.9-72-174.7179.3178.40113I252 F256 N258I252-K254 PolarHBondContact O-N 3.44Å; K254-F256 VanDerWaalsContact C-N 3.3Å; K254-F256 PolarHBondContact O-N 2.89Å; K254-N258 WeakPolarHBondContact O-CB 3.38Å; K254-N258 PolarHBondContact O-N 3.45Å; K254-N258 PolarHBondContact O-ND2 3.28Å; K254-N258 PolarHBondContact O-OD1 3.47Å
255R96.6Very high93.7Very high168 Ų16846.3 Ų46.363%0.63422%0.221SC*.Hα-helixtrans-64.9-39.3178.2-70.6175.962.8-166.4-2.1110.8I221 I252 Y253 R259I221-R255 HydrophobicContact CD1-CB 4.22Å; I252-R255 WeakPolarHBondContact O-CB 3.48Å; I252-R255 PolarHBondContact O-N 3.25Å; Y253-R255 PolarHBondContact O-N 3.27Å; R255-R259 WeakPolarHBondContact O-CB 3.45Å; R255-R259 PolarHBondContact O-N 3.13Å
256F97.2Very high92.3Very high0 Ų050.8 Ų50.80%025%0.249CC..Hα-helixtrans-66.5-48.5177.8-175.6-99.2000112I215 I221 A224 A225 C228 I246 V248 I252 Y253 K254 N258 R259 M260I215-F256 HydrophobicContact CG1-CE2 4.05Å; I215-F256 HydrophobicContact CG1-CZ 3.97Å; I215-F256 HydrophobicContact CG2-CD2 4.12Å; I215-F256 HydrophobicContact CG2-CE2 4.09Å; I221-F256 HydrophobicContact CG2-CB 4.44Å; I221-F256 HydrophobicContact CG2-CD2 4.16Å; A224-F256 HydrophobicContact CB-CE2 3.93Å; A225-F256 HydrophobicContact CB-CD2 4.35Å; A225-F256 HydrophobicContact CB-CE2 3.95Å; C228-F256 HydrophobicContact CB-CZ 4.43Å; I246-F256 HydrophobicContact CG2-CE1 3.97Å; I246-F256 HydrophobicContact CG2-CZ 4.22Å; V248-F256 HydrophobicContact CG1-CB 4.08Å; V248-F256 HydrophobicContact CG1-CD1 4.15Å; V248-F256 HydrophobicContact CG1-CG 4.15Å; V248-F256 HydrophobicContact CG2-CD1 3.66Å; V248-F256 HydrophobicContact CG2-CE1 3.74Å; V248-F256 HydrophobicContact CG2-CG 4.37Å; I252-F256 PolarHBondContact O-N 3.34Å; Y253-F256 WeakPolarHBondContact O-CB 3.49Å; Y253-F256 PolarHBondContact O-N 3.32Å; K254-F256 VanDerWaalsContact C-N 3.3Å; K254-F256 PolarHBondContact O-N 2.89Å; F256-N258 PolarHBondContact O-N 2.95Å; F256-R259 PolarHBondContact O-N 3.28Å; F256-R259 VanDerWaalsContact O-N 3.13Å; F256-M260 HydrophobicContact CD1-CE 3.52Å; F256-M260 HydrophobicContact CD1-CG 4.49Å; F256-M260 HydrophobicContact CD1-SD 4.11Å; F256-M260 HydrophobicContact CE1-CE 3.29Å; F256-M260 HydrophobicContact CE1-CG 4.12Å; F256-M260 HydrophobicContact CE1-SD 3.38Å; F256-M260 WeakPolarHBondContact CE1-SD 3.28Å; F256-M260 HydrophobicContact CZ-CE 4.25Å; F256-M260 HydrophobicContact CZ-CG 4.25Å; F256-M260 HydrophobicContact CZ-SD 3.76Å; F256-M260 PolarHBondContact O-N 3.36Å
257I96.1Very high90.3Very high9 Ų955.2 Ų55.25%0.04627%0.272CS..Hα-helixtrans-56.8-49.5174.5-65.9-59.1000110.9Y253 R259 M260 D261 L304 Y318 V337Y253-I257 HydrophobicContact CD1-CG1 4.33Å; Y253-I257 HydrophobicContact CE1-CG1 4.04Å; Y253-I257 HydrophobicContact CE2-CD1 4.32Å; Y253-I257 HydrophobicContact CE2-CG1 4.25Å; Y253-I257 WeakPolarHBondContact O-CG1 3.42Å; Y253-I257 PolarHBondContact O-N 3.33Å; I257-R259 PolarHBondContact O-N 2.92Å; I257-M260 HydrophobicContact CD1-CE 3.57Å; I257-M260 PolarHBondContact O-N 2.64Å; I257-D261 PolarHBondContact O-N 2.85Å; I257-L304 HydrophobicContact CG2-CD1 4.01Å; I257-Y318 HydrophobicContact CD1-CD2 4.29Å; I257-Y318 HydrophobicContact CD1-CG 4.05Å; I257-Y318 HydrophobicContact CG1-CD2 4.38Å; I257-Y318 HydrophobicContact CG2-CD2 4.17Å; I257-Y318 HydrophobicContact CG2-CE2 4.06Å; I257-Y318 HydrophobicContact CG2-CG 4.49Å; I257-V337 HydrophobicContact CD1-CB 4.12Å; I257-V337 HydrophobicContact CD1-CG1 3.86Å; I257-V337 HydrophobicContact CD1-CG2 4.19Å
258N94.6Very high87.8Confident109 Ų10959.3 Ų59.358%0.58330%0.297SS*.Hα-helixtrans-59.9-35.8177.9-70-6.5000112.2K254 F256 S262K254-N258 WeakPolarHBondContact O-CB 3.38Å; K254-N258 PolarHBondContact O-N 3.45Å; K254-N258 PolarHBondContact O-ND2 3.28Å; K254-N258 PolarHBondContact O-OD1 3.47Å; F256-N258 PolarHBondContact O-N 2.95Å; N258-S262 PolarHBondContact O-N 3.28Å
259R94.9Very high85Confident83 Ų8363.7 Ų63.731%0.31333%0.334SS..Hα-helixtrans-69.8-43.9177.6-171.663.1-173.7150.4-9111.4I221 D222 A225 R255 F256 I257 D261 S262 L263I221-R259 HydrophobicContact CG2-CB 4.21Å; I221-R259 HydrophobicContact CG2-CG 4.5Å; D222-R259 IonicContact OD1-CZ 3.98Å; D222-R259 IonicContact OD1-NE 3.83Å; D222-R259 PolarHBondContact OD1-NE 3.18Å; D222-R259 IonicContact OD1-NH2 2.84Å; D222-R259 PolarHBondContact OD1-NH2 3.02Å; D222-R259 IonicContact OD2-NH2 3.48Å; A225-R259 HydrophobicContact CB-CB 4.23Å; A225-R259 HydrophobicContact CB-CG 3.85Å; R255-R259 WeakPolarHBondContact O-CB 3.45Å; R255-R259 PolarHBondContact O-N 3.13Å; F256-R259 PolarHBondContact O-N 3.28Å; F256-R259 VanDerWaalsContact O-N 3.13Å; I257-R259 PolarHBondContact O-N 2.92Å; R259-D261 VanDerWaalsContact C-N 3.33Å; R259-D261 PolarHBondContact O-N 3.27Å; R259-S262 PolarHBondContact NH1-OG 2.83Å; R259-S262 PolarHBondContact O-N 3.48Å; R259-S262 PolarHBondContact O-OG 2.73Å; R259-L263 HydrophobicContact CG-CD1 4.3Å; R259-L263 WeakPolarHBondContact O-CG 3.16Å; R259-L263 PolarHBondContact O-N 2.84Å
260M93.1Very high82.2Confident0 Ų066.6 Ų66.60%036%0.358CS..Hα-helixtrans-59.7-43.9174.4-72.6-168.4-61.500111.7A225 C228 V229 F256 I257 S262 L263 I264 L304 I316 V337A225-M260 HydrophobicContact CB-CG 3.85Å; C228-M260 HydrophobicContact CB-SD 4.23Å; V229-M260 HydrophobicContact CG2-CB 4.47Å; V229-M260 HydrophobicContact CG2-CG 4.37Å; F256-M260 HydrophobicContact CD1-CE 3.52Å; F256-M260 HydrophobicContact CD1-CG 4.49Å; F256-M260 HydrophobicContact CD1-SD 4.11Å; F256-M260 HydrophobicContact CE1-CE 3.29Å; F256-M260 HydrophobicContact CE1-CG 4.12Å; F256-M260 HydrophobicContact CE1-SD 3.38Å; F256-M260 WeakPolarHBondContact CE1-SD 3.28Å; F256-M260 HydrophobicContact CZ-CE 4.25Å; F256-M260 HydrophobicContact CZ-CG 4.25Å; F256-M260 HydrophobicContact CZ-SD 3.76Å; F256-M260 PolarHBondContact O-N 3.36Å; I257-M260 HydrophobicContact CD1-CE 3.57Å; I257-M260 PolarHBondContact O-N 2.64Å; M260-S262 VanDerWaalsContact C-N 3.33Å; M260-S262 PolarHBondContact O-N 3.46Å; M260-L263 PolarHBondContact O-N 3.37Å; M260-I264 WeakPolarHBondContact O-CB 3.28Å; M260-I264 VanDerWaalsContact O-CG1 3.3Å; M260-I264 WeakPolarHBondContact O-CG1 3.49Å; M260-I264 PolarHBondContact O-N 3.2Å; M260-L304 HydrophobicContact CB-CD1 4.39Å; M260-I316 HydrophobicContact CB-CD1 4.14Å; M260-I316 HydrophobicContact CE-CD1 4.21Å; M260-I316 HydrophobicContact CE-CG2 4.03Å; M260-I316 HydrophobicContact CG-CD1 4.34Å; M260-I316 HydrophobicContact SD-CD1 3.54Å; M260-I316 VanDerWaalsContact SD-CD1 3.54Å; M260-V337 HydrophobicContact CE-CG2 3.86Å
261D91.3Very high79.1Confident60 Ų6070.3 Ų70.332%0.32138%0.375SS..Hα-helixtrans-57.7-46.3174.5-175.843.2000111.3I257 R259 L263 I264 N265 L304I257-D261 PolarHBondContact O-N 2.85Å; R259-D261 VanDerWaalsContact C-N 3.33Å; R259-D261 PolarHBondContact O-N 3.27Å; D261-L263 PolarHBondContact O-N 2.93Å; D261-I264 PolarHBondContact O-N 3.45Å; D261-N265 WeakPolarHBondContact O-CB 3.22Å; D261-N265 VanDerWaalsContact O-CG 3.23Å; D261-N265 PolarHBondContact O-N 3.09Å; D261-N265 PolarHBondContact O-ND2 3.18Å; D261-N265 PolarHBondContact OD1-ND2 3.2Å; D261-L304 HydrophobicContact CB-CD1 3.91Å; D261-L304 HydrophobicContact CB-CD2 3.94Å
262S89.5Confident76.2Confident33 Ų3376 Ų7623%0.23140%0.395CS..Hα-helixtrans-60.6-42.4175.8770000112.7N258 R259 M260 N265 V266N258-S262 PolarHBondContact O-N 3.28Å; R259-S262 PolarHBondContact NH1-OG 2.83Å; R259-S262 PolarHBondContact O-N 3.48Å; R259-S262 PolarHBondContact O-OG 2.73Å; M260-S262 VanDerWaalsContact C-N 3.33Å; M260-S262 PolarHBondContact O-N 3.46Å; S262-N265 PolarHBondContact O-N 3.45Å; S262-V266 VanDerWaalsContact O-CB 3.28Å; S262-V266 WeakPolarHBondContact O-CB 2.95Å; S262-V266 WeakPolarHBondContact O-CG2 3.04Å; S262-V266 PolarHBondContact O-N 2.93Å
263L88.2Confident73.3Confident28 Ų2879.6 Ų79.615%0.14741%0.414CS..Hα-helixtrans-68.7-38.4-179-73.4170.4000111.9A225 R226 V229 R259 M260 D261 N265A225-L263 HydrophobicContact CB-CD1 3.61Å; R226-L263 HydrophobicContact CB-CD1 4.4Å; R226-L263 HydrophobicContact CG-CD1 3.73Å; R226-L263 HydrophobicContact CG-CD2 3.9Å; R226-L263 HydrophobicContact CG-CG 4.5Å; V229-L263 HydrophobicContact CG2-CB 4.29Å; R259-L263 HydrophobicContact CG-CD1 4.3Å; R259-L263 WeakPolarHBondContact O-CG 3.16Å; R259-L263 PolarHBondContact O-N 2.84Å; M260-L263 PolarHBondContact O-N 3.37Å; D261-L263 PolarHBondContact O-N 2.93Å; L263-N265 VanDerWaalsContact C-N 3.33Å
264I83.5Confident70.3Confident5 Ų587.3 Ų87.33%0.02645%0.451CS..Hα-helixtrans-61.4-47.4172.8-70.4167.1000108.3V229 M260 D261 L304 Y306 I316V229-I264 HydrophobicContact CG1-CG1 4.35Å; V229-I264 HydrophobicContact CG2-CG1 4.15Å; M260-I264 WeakPolarHBondContact O-CB 3.28Å; M260-I264 VanDerWaalsContact O-CG1 3.3Å; M260-I264 WeakPolarHBondContact O-CG1 3.49Å; M260-I264 PolarHBondContact O-N 3.2Å; D261-I264 PolarHBondContact O-N 3.45Å; I264-L304 HydrophobicContact CD1-CB 4.26Å; I264-Y306 HydrophobicContact CG2-CD2 3.74Å; I264-Y306 HydrophobicContact CG2-CG 4.28Å; I264-Y306 WeakPolarHBondContact O-CD2 3.49Å; I264-Y306 WeakPolarHBondContact O-CE2 3.33Å; I264-I316 HydrophobicContact CD1-CD1 3.75Å; I264-I316 HydrophobicContact CD1-CG1 4.13Å
265N78.5Confident67.4Low63 Ų6386.6 Ų86.634%0.33746%0.455SS..Hα-helixtrans-73.7-30-174.9-68.4-33.9000115.5D261 S262 L263 N267 T268D261-N265 WeakPolarHBondContact O-CB 3.22Å; D261-N265 VanDerWaalsContact O-CG 3.23Å; D261-N265 PolarHBondContact O-N 3.09Å; D261-N265 PolarHBondContact O-ND2 3.18Å; D261-N265 PolarHBondContact OD1-ND2 3.2Å; S262-N265 PolarHBondContact O-N 3.45Å; L263-N265 VanDerWaalsContact C-N 3.33Å; N265-N267 VanDerWaalsContact C-N 3.29Å; N265-N267 PolarHBondContact O-N 2.75Å; N265-T268 PolarHBondContact O-N 3.32Å; N265-T268 PolarHBondContact O-OG1 3.08Å
266V64.4Low64.6Low94 Ų9486.2 Ų86.257%0.5746%0.455SS*.Hα-helixtrans-67.7-18.3-170.61620000114.6S262 T268S262-V266 VanDerWaalsContact O-CB 3.28Å; S262-V266 WeakPolarHBondContact O-CB 2.95Å; S262-V266 WeakPolarHBondContact O-CG2 3.04Å; S262-V266 PolarHBondContact O-N 2.93Å; V266-T268 PolarHBondContact O-N 3.36Å
267N52.6Low61.9Low93 Ų9394.9 Ų94.950%0.49750%0.495SS..THydrogen-bonded Turntrans-71.710.1177.2-76.6-3.5000114.8N265 I310N265-N267 VanDerWaalsContact C-N 3.29Å; N265-N267 PolarHBondContact O-N 2.75Å; N267-I310 HydrophobicContact CB-CD1 4.08Å
268T44Very low59.3Low86 Ų86103.6 Ų103.653%0.52853%0.533SS..THydrogen-bonded Turntrans-82.3-15.317722.50000114.6N265 V266 S270 Y306N265-T268 PolarHBondContact O-N 3.32Å; N265-T268 PolarHBondContact O-OG1 3.08Å; V266-T268 PolarHBondContact O-N 3.36Å; T268-S270 PolarHBondContact O-N 3.39Å; T268-Y306 WeakPolarHBondContact CA-OH 3.38Å; T268-Y306 VanDerWaalsContact CB-OH 3.31Å; T268-Y306 WeakPolarHBondContact CB-OH 3.32Å; T268-Y306 HydrophobicContact CG2-CE1 4.43Å; T268-Y306 WeakPolarHBondContact CG2-OH 3.49Å; T268-Y306 PolarHBondContact N-OH 3.07Å
269A38.7Very low57.1Low93 Ų93100.3 Ų100.377%0.76952%0.518SS*.  trans-83.2-5.8-164.100000115.3
270S38Very low55.7Low96 Ų96103.2 Ų103.267%0.67154%0.535SS*.SBendtrans-90.3111.6174.754.20000110.7T268 E272T268-S270 PolarHBondContact O-N 3.39Å; S270-E272 PolarHBondContact O-N 3.21Å
271E33Very low54.8Low191 Ų191104.5 Ų104.589%0.89354%0.54SS*.SBendtrans-51.997.3171-63.1172.2154.900111.2
272E35.5Very low54Low184 Ų184101.8 Ų101.886%0.8653%0.526SS*.  trans-178.278.7157-103.9172.7-15300108.1S270S270-E272 PolarHBondContact O-N 3.21Å
273L35.4Very low53.3Low82 Ų82104.6 Ų104.643%0.42954%0.544SS..  trans-136.247.1-172.7-111.1161.5000112.1K309L273-K309 HydrophobicContact CD2-CB 4.15Å; L273-K309 HydrophobicContact CD2-CD 4.45Å
274E35.1Very low52.5Low187 Ų187104.6 Ų104.687%0.87454%0.542SS*.SBendtrans-106.9-8.7176.7-77.3-163.615600116.2
275N35.7Very low52.2Low155 Ų155104.4 Ų104.483%0.82954%0.541SS*.  trans-130.912.9-173.9-83.6-25.2000117.8E277N275-E277 PolarHBondContact O-N 3.46Å
276Y38.2Very low52.2Low159 Ų159102.1 Ų102.162%0.62453%0.53SS*.  trans-8389.4173-74.8-79.8000110.4K278 P311Y276-K278 PolarHBondContact O-N 3.42Å; Y276-P311 HydrophobicContact CD1-CG 3.68Å; Y276-P311 HydrophobicContact CE1-CG 3.77Å; Y276-P311 HydrophobicContact CG-CG 4.46Å
277E38.8Very low52.9Low182 Ų182102.2 Ų102.285%0.8553%0.527SS*.  trans-47.2135.7156.3-75.3-173.8149.500108.4N275 S279N275-E277 PolarHBondContact O-N 3.46Å; E277-S279 PolarHBondContact O-N 3.26Å
278K42.5Very low54.2Low193 Ų19398.4 Ų98.484%0.83951%0.506SS*.  trans-31.695.3-178.7-75.4177.2173.7178.40111.8Y276 E280Y276-K278 PolarHBondContact O-N 3.42Å; K278-E280 PolarHBondContact O-N 2.98Å; K278-E280 VanDerWaalsContact O-N 3.11Å
279S48.8Very low56.2Low39 Ų3994.3 Ų94.327%0.27348%0.481SS..  trans-86.795.5-178.463.60000107.9E277 P311E277-S279 PolarHBondContact O-N 3.26Å; S279-P311 WeakPolarHBondContact OG-CA 2.98Å; S279-P311 WeakPolarHBondContact OG-CB 3.31Å; S279-P311 VanDerWaalsContact OG-CG 3.26Å; S279-P311 WeakPolarHBondContact OG-CG 3.34Å
280E64.5Low58.3Low144 Ų14494.9 Ų94.967%0.67347%0.467SS*.PPolyproline II helixtrans-59156.5163.5-70.5-176.4160.200109.7K278K278-E280 PolarHBondContact O-N 2.98Å; K278-E280 VanDerWaalsContact O-N 3.11Å
281Y75.6Confident60.6Low27 Ų2794.5 Ų94.511%0.10646%0.455CS..PPolyproline II helixtrans-54155.7168.9-70.1-84000109.8M236 T286 T289 S313 I315 P333M236-Y281 HydrophobicContact CE-CD1 3.7Å; M236-Y281 HydrophobicContact CE-CE1 4.16Å; Y281-T286 PolarHBondContact O-OG1 3.01Å; Y281-T289 HydrophobicContact CD1-CG2 4.36Å; Y281-T289 HydrophobicContact CD2-CG2 4.13Å; Y281-T289 HydrophobicContact CE1-CG2 4.41Å; Y281-T289 HydrophobicContact CE2-CG2 4.18Å; Y281-T289 HydrophobicContact CG-CG2 4.23Å; Y281-S313 WeakPolarHBondContact CE1-O 3.41Å; Y281-S313 PolarHBondContact OH-O 3.15Å; Y281-I315 HydrophobicContact CE2-CD1 4.21Å; Y281-I315 WeakPolarHBondContact OH-CG1 3.33Å; Y281-P333 HydrophobicContact CD1-CG 4.2Å; Y281-P333 HydrophobicContact CE1-CG 3.66Å
282P74.2Confident63.2Low4 Ų485.8 Ų85.83%0.02642%0.415CS..PPolyproline II helixtrans-56.1144.2172.4-22.536.5000108.4E94 F284 C285 T286 H312E94-P282 HydrophobicContact CB-CB 4.28Å; E94-P282 HydrophobicContact CB-CG 4.17Å; P282-F284 HydrophobicContact CB-CD1 3.47Å; P282-F284 VanDerWaalsContact CB-CD1 3.47Å; P282-F284 HydrophobicContact CB-CE1 3.34Å; P282-F284 HydrophobicContact CB-CZ 4.31Å; P282-F284 HydrophobicContact CG-CD1 4.47Å; P282-F284 HydrophobicContact CG-CE1 3.89Å; P282-F284 PolarHBondContact O-N 2.89Å; P282-C285 PolarHBondContact O-N 3.17Å; P282-T286 PolarHBondContact O-N 2.9Å; P282-T286 PolarHBondContact O-OG1 3.13Å; P282-T286 VanDerWaalsContact O-OG1 3.07Å; P282-H312 WeakPolarHBondContact CD-ND1 3.49Å
283P73.5Confident65.7Low92 Ų9280.2 Ų80.260%0.59739%0.387SS*.Hα-helixtrans-50.8-28.3-169.5-29.734.2000114.6
284F71.2Confident68.1Low28 Ų2884.1 Ų84.112%0.12340%0.401CS..Hα-helixtrans-72.3-28.4-179.277.1-95.8000114.8R171 T238 P282R171-F284 VanDerWaalsContact CZ-CG 3.47Å; R171-F284 VanDerWaalsContact NE-CD1 3.29Å; T238-F284 HydrophobicContact CG2-CE2 4.01Å; P282-F284 HydrophobicContact CB-CD1 3.47Å; P282-F284 VanDerWaalsContact CB-CD1 3.47Å; P282-F284 HydrophobicContact CB-CE1 3.34Å; P282-F284 HydrophobicContact CB-CZ 4.31Å; P282-F284 HydrophobicContact CG-CD1 4.47Å; P282-F284 HydrophobicContact CG-CE1 3.89Å; P282-F284 PolarHBondContact O-N 2.89Å
285C78.3Confident70.7Confident0 Ų077.5 Ų77.50%037%0.369CS..Hα-helixtrans-94.1-23.4174-71.50000112.2P282 N287 Y288 T289 S331P282-C285 PolarHBondContact O-N 3.17Å; C285-N287 VanDerWaalsContact C-N 3.35Å; C285-N287 PolarHBondContact O-N 3.16Å; C285-Y288 PolarHBondContact O-N 2.87Å; C285-Y288 VanDerWaalsContact O-N 3.12Å; C285-T289 HydrophobicContact CB-CG2 4.45Å; C285-T289 WeakPolarHBondContact O-CG2 3.24Å; C285-T289 PolarHBondContact O-N 2.74Å; C285-T289 PolarHBondContact O-OG1 3.1Å; C285-S331 PolarHBondContact SG-O 3.02Å; C285-S331 VanDerWaalsContact SG-O 3.42Å
286T78.8Confident73.2Confident16 Ų1670.2 Ų70.210%0.09833%0.33CS..Hα-helixtrans-58.3-44.9-172.6-53.90000112.5Y281 P282 Y288 T289 H290Y281-T286 PolarHBondContact O-OG1 3.01Å; P282-T286 PolarHBondContact O-N 2.9Å; P282-T286 PolarHBondContact O-OG1 3.13Å; P282-T286 VanDerWaalsContact O-OG1 3.07Å; T286-Y288 VanDerWaalsContact C-N 3.33Å; T286-Y288 PolarHBondContact O-N 3.33Å; T286-T289 WeakPolarHBondContact CA-OG1 3.39Å; T286-T289 PolarHBondContact O-N 2.79Å; T286-T289 PolarHBondContact O-OG1 3.28Å; T286-H290 WeakPolarHBondContact O-CB 3.35Å; T286-H290 PolarHBondContact O-N 3.43Å
287N78.1Confident75.4Confident95 Ų9568.4 Ų68.451%0.50833%0.331SS..Hα-helixtrans-62-42.3178-72.3-20.4000112.1C285 E291C285-N287 VanDerWaalsContact C-N 3.35Å; C285-N287 PolarHBondContact O-N 3.16Å; N287-E291 VanDerWaalsContact O-CB 3.28Å; N287-E291 WeakPolarHBondContact O-CB 3.47Å; N287-E291 PolarHBondContact O-N 3.38Å
288Y81Confident77.8Confident14 Ų1463.6 Ų63.66%0.05532%0.317CS..Hα-helixtrans-68.1-46.6179179-130000112C285 T286 H290 E291 V292 S328 R330 V334C285-Y288 PolarHBondContact O-N 2.87Å; C285-Y288 VanDerWaalsContact O-N 3.12Å; T286-Y288 VanDerWaalsContact C-N 3.33Å; T286-Y288 PolarHBondContact O-N 3.33Å; Y288-H290 VanDerWaalsContact C-N 3.34Å; Y288-H290 PolarHBondContact O-N 2.91Å; Y288-E291 PolarHBondContact O-N 3.3Å; Y288-V292 HydrophobicContact CD2-CG2 3.85Å; Y288-V292 HydrophobicContact CE1-CG2 4.32Å; Y288-V292 HydrophobicContact CE2-CG2 3.39Å; Y288-V292 HydrophobicContact CG-CG2 4.47Å; Y288-V292 VanDerWaalsContact O-CG2 3.31Å; Y288-V292 WeakPolarHBondContact O-CG2 3.46Å; Y288-V292 PolarHBondContact O-N 2.88Å; Y288-S328 WeakPolarHBondContact CD2-OG 3.07Å; Y288-S328 WeakPolarHBondContact CE2-OG 3.44Å; Y288-R330 HydrophobicContact CD2-CB 4.02Å; Y288-R330 WeakPolarHBondContact CE1-O 3.38Å; Y288-R330 HydrophobicContact CG-CB 3.87Å; Y288-V334 HydrophobicContact CD1-CG2 4.04Å; Y288-V334 HydrophobicContact CE1-CB 3.78Å; Y288-V334 HydrophobicContact CE1-CG2 3.58Å
289T84.7Confident80.1Confident0 Ų056.9 Ų56.90%029%0.293CS..Hα-helixtrans-64.4-37.8179.956.10000111.9Y281 C285 T286 K293 I315 V334Y281-T289 HydrophobicContact CD1-CG2 4.36Å; Y281-T289 HydrophobicContact CD2-CG2 4.13Å; Y281-T289 HydrophobicContact CE1-CG2 4.41Å; Y281-T289 HydrophobicContact CE2-CG2 4.18Å; Y281-T289 HydrophobicContact CG-CG2 4.23Å; C285-T289 HydrophobicContact CB-CG2 4.45Å; C285-T289 WeakPolarHBondContact O-CG2 3.24Å; C285-T289 PolarHBondContact O-N 2.74Å; C285-T289 PolarHBondContact O-OG1 3.1Å; T286-T289 WeakPolarHBondContact CA-OG1 3.39Å; T286-T289 PolarHBondContact O-N 2.79Å; T286-T289 PolarHBondContact O-OG1 3.28Å; T289-K293 WeakPolarHBondContact O-CB 3.08Å; T289-K293 VanDerWaalsContact O-CG 3.27Å; T289-K293 WeakPolarHBondContact O-CG 3.49Å; T289-K293 PolarHBondContact O-N 2.95Å; T289-I315 HydrophobicContact CG2-CD1 3.64Å; T289-V334 HydrophobicContact CG2-CG2 4.3Å
290H83.8Confident82.1Confident104 Ų10458 Ų5848%0.48131%0.309SS..Hα-helixtrans-65.4-44.6171.9-76.5171.6000112.6T286 Y288 V292 K293 F294T286-H290 WeakPolarHBondContact O-CB 3.35Å; T286-H290 PolarHBondContact O-N 3.43Å; Y288-H290 VanDerWaalsContact C-N 3.34Å; Y288-H290 PolarHBondContact O-N 2.91Å; H290-V292 PolarHBondContact O-N 3.34Å; H290-K293 PolarHBondContact O-N 3.15Å; H290-F294 WeakPolarHBondContact O-CB 3.39Å; H290-F294 PolarHBondContact O-N 3.03Å
291E86Confident83.5Confident89 Ų8951.5 Ų51.542%0.41628%0.281SS..Hα-helixtrans-60.3-45.5177.1-175.4-179.5167.700111.4N287 Y288 F294 Y295 R330N287-E291 VanDerWaalsContact O-CB 3.28Å; N287-E291 WeakPolarHBondContact O-CB 3.47Å; N287-E291 PolarHBondContact O-N 3.38Å; Y288-E291 PolarHBondContact O-N 3.3Å; E291-F294 PolarHBondContact O-N 3.48Å; E291-Y295 WeakPolarHBondContact O-CB 3.39Å; E291-Y295 PolarHBondContact O-N 2.84Å; E291-R330 IonicContact OE2-NH1 3.47Å; E291-R330 PolarHBondContact OE2-NH1 2.99Å
292V87.8Confident84.4Confident8 Ų855.1 Ų55.15%0.04830%0.297CS..Hα-helixtrans-61.3-46.6176.3169.80000110.9Y288 H290 Y295 T296 V317 V334 F336Y288-V292 HydrophobicContact CD2-CG2 3.85Å; Y288-V292 HydrophobicContact CE1-CG2 4.32Å; Y288-V292 HydrophobicContact CE2-CG2 3.39Å; Y288-V292 HydrophobicContact CG-CG2 4.47Å; Y288-V292 VanDerWaalsContact O-CG2 3.31Å; Y288-V292 WeakPolarHBondContact O-CG2 3.46Å; Y288-V292 PolarHBondContact O-N 2.88Å; H290-V292 PolarHBondContact O-N 3.34Å; V292-Y295 PolarHBondContact O-N 2.68Å; V292-T296 VanDerWaalsContact O-CB 3.28Å; V292-T296 WeakPolarHBondContact O-CB 3.09Å; V292-T296 PolarHBondContact O-N 3.08Å; V292-T296 PolarHBondContact O-OG1 3.12Å; V292-V317 HydrophobicContact CG1-CG2 3.71Å; V292-V334 HydrophobicContact CG1-CG1 3.82Å; V292-V334 HydrophobicContact CG2-CG1 4.17Å; V292-V334 HydrophobicContact CG2-CG2 4.37Å; V292-F336 HydrophobicContact CG1-CZ 4.5Å
293K87.3Confident85.2Confident66 Ų6657.3 Ų57.329%0.28731%0.308SS..Hα-helixtrans-58.4-51.8178.8-77.2173.2178.9178.90111.4T289 H290 Y295 T296 D297 I303T289-K293 WeakPolarHBondContact O-CB 3.08Å; T289-K293 VanDerWaalsContact O-CG 3.27Å; T289-K293 WeakPolarHBondContact O-CG 3.49Å; T289-K293 PolarHBondContact O-N 2.95Å; H290-K293 PolarHBondContact O-N 3.15Å; K293-Y295 PolarHBondContact O-N 3.42Å; K293-T296 PolarHBondContact O-N 3.49Å; K293-D297 PolarHBondContact O-N 3.28Å; K293-I303 HydrophobicContact CB-CD1 4.21Å; K293-I303 HydrophobicContact CG-CD1 3.84Å
294F87.2Confident85.9Confident165 Ų16553.7 Ų53.772%0.72428%0.284SS*.Hα-helixtrans-61.1-43.6178.8-178.6-95.5000112.5H290 E291 D297 S298H290-F294 WeakPolarHBondContact O-CB 3.39Å; H290-F294 PolarHBondContact O-N 3.03Å; E291-F294 PolarHBondContact O-N 3.48Å; F294-D297 PolarHBondContact O-N 3.41Å; F294-S298 PolarHBondContact O-N 3.16Å
295Y88Confident86.3Confident48 Ų4854.5 Ų54.519%0.18829%0.292CS..Hα-helixtrans-69-36.8-179.1-179-107.6000112.2E291 V292 K293 D297 S298 V299 S324 K326E291-Y295 WeakPolarHBondContact O-CB 3.39Å; E291-Y295 PolarHBondContact O-N 2.84Å; V292-Y295 PolarHBondContact O-N 2.68Å; K293-Y295 PolarHBondContact O-N 3.42Å; Y295-D297 VanDerWaalsContact C-N 3.32Å; Y295-D297 PolarHBondContact O-N 2.86Å; Y295-S298 WeakPolarHBondContact CD2-OG 3.19Å; Y295-S298 WeakPolarHBondContact O-CB 3.22Å; Y295-S298 PolarHBondContact O-N 3.38Å; Y295-S298 VanDerWaalsContact O-N 3.08Å; Y295-S298 PolarHBondContact O-OG 3.15Å; Y295-V299 HydrophobicContact CE1-CG1 4.06Å; Y295-V299 HydrophobicContact CE2-CG1 3.89Å; Y295-V299 PolarHBondContact O-N 3.02Å; Y295-S324 WeakPolarHBondContact CE1-O 3.48Å; Y295-S324 PolarHBondContact OH-O 3.43Å; Y295-K326 HydrophobicContact CD1-CD 4.46Å; Y295-K326 HydrophobicContact CD2-CD 4.32Å; Y295-K326 HydrophobicContact CE1-CB 4.22Å; Y295-K326 HydrophobicContact CE1-CD 3.98Å; Y295-K326 HydrophobicContact CE1-CG 3.91Å; Y295-K326 HydrophobicContact CE2-CD 3.85Å
296T88.3Confident85.9Confident1 Ų155.3 Ų55.31%0.00630%0.296CS..Hα-helixtrans-58.9-44.6177.2-60.30000111.4V292 K293 S298 V299 G300 A301 I303 V317V292-T296 VanDerWaalsContact O-CB 3.28Å; V292-T296 WeakPolarHBondContact O-CB 3.09Å; V292-T296 PolarHBondContact O-N 3.08Å; V292-T296 PolarHBondContact O-OG1 3.12Å; K293-T296 PolarHBondContact O-N 3.49Å; T296-S298 VanDerWaalsContact C-N 3.27Å; T296-S298 PolarHBondContact O-N 2.83Å; T296-V299 WeakPolarHBondContact O-CG2 3.37Å; T296-V299 PolarHBondContact O-N 2.89Å; T296-G300 PolarHBondContact O-N 3.05Å; T296-A301 HydrophobicContact CG2-CB 3.72Å; T296-A301 WeakPolarHBondContact CG2-O 3.41Å; T296-A301 PolarHBondContact O-N 3.3Å; T296-I303 HydrophobicContact CG2-CD1 3.86Å; T296-I303 HydrophobicContact CG2-CG1 3.47Å; T296-I303 VanDerWaalsContact CG2-CG1 3.47Å; T296-V317 HydrophobicContact CG2-CG1 3.82Å
297D84.8Confident84.8Confident122 Ų12260.3 Ų60.365%0.65232%0.322SS*.Hα-helixtrans-60.3-38.7175.4-67.8-20.8000111.5K293 F294 Y295 V299 G300K293-D297 PolarHBondContact O-N 3.28Å; F294-D297 PolarHBondContact O-N 3.41Å; Y295-D297 VanDerWaalsContact C-N 3.32Å; Y295-D297 PolarHBondContact O-N 2.86Å; D297-V299 VanDerWaalsContact C-N 3.3Å; D297-V299 PolarHBondContact O-N 3.36Å; D297-G300 PolarHBondContact O-N 2.98Å
298S90.4Very high83.5Confident80 Ų8063.8 Ų63.856%0.55934%0.335SS*.Hα-helixtrans-67.2-26.4-178.879.90000114.4F294 Y295 T296F294-S298 PolarHBondContact O-N 3.16Å; Y295-S298 WeakPolarHBondContact CD2-OG 3.19Å; Y295-S298 WeakPolarHBondContact O-CB 3.22Å; Y295-S298 PolarHBondContact O-N 3.38Å; Y295-S298 VanDerWaalsContact O-N 3.08Å; Y295-S298 PolarHBondContact O-OG 3.15Å; T296-S298 VanDerWaalsContact C-N 3.27Å; T296-S298 PolarHBondContact O-N 2.83Å
299V90.9Very high81.9Confident53 Ų5369.7 Ų69.732%0.32136%0.361SS..Hα-helixtrans-101.71.1-179.7-600000113.1Y295 T296 D297 A301 I320Y295-V299 HydrophobicContact CE1-CG1 4.06Å; Y295-V299 HydrophobicContact CE2-CG1 3.89Å; Y295-V299 PolarHBondContact O-N 3.02Å; T296-V299 WeakPolarHBondContact O-CG2 3.37Å; T296-V299 PolarHBondContact O-N 2.89Å; D297-V299 VanDerWaalsContact C-N 3.3Å; D297-V299 PolarHBondContact O-N 3.36Å; V299-A301 VanDerWaalsContact C-N 3.26Å; V299-A301 HydrophobicContact CG2-CB 3.93Å; V299-A301 PolarHBondContact O-N 3.44Å; V299-I320 HydrophobicContact CG2-CD1 4.43Å
300G89.7Confident80.4Confident61 Ų6172.2 Ų72.263%0.62937%0.374SS*.THydrogen-bonded Turntrans71.717.2179.700000114.6T296 D297T296-G300 PolarHBondContact O-N 3.05Å; D297-G300 PolarHBondContact O-N 2.98Å
301A93.8Very high79.1Confident9 Ų968.9 Ų68.97%0.07436%0.361CS..  trans-79.9169.4172.800000110.4T296 V299 V317 Y318 I320T296-A301 HydrophobicContact CG2-CB 3.72Å; T296-A301 WeakPolarHBondContact CG2-O 3.41Å; T296-A301 PolarHBondContact O-N 3.3Å; V299-A301 VanDerWaalsContact C-N 3.26Å; V299-A301 HydrophobicContact CG2-CB 3.93Å; V299-A301 PolarHBondContact O-N 3.44Å; A301-V317 HydrophobicContact CB-CG1 4.11Å; A301-Y318 WeakPolarHBondContact CB-O 3.2Å; A301-I320 HydrophobicContact CB-CB 3.87Å; A301-I320 HydrophobicContact CB-CD1 4.5Å; A301-I320 HydrophobicContact CB-CG1 4.23Å
302K94Very high78.3Confident103 Ų10366.7 Ų66.745%0.44835%0.351SS..EExtended strand (participates in β ladder)trans-115.2157-177.2-65.1177.7-170147.80111.2V317 Y318 D319K302-V317 CarbonylContact O-C 3.53Å; K302-V317 WeakPolarHBondContact O-CA 3.15Å; K302-Y318 HydrophobicContact CB-CD1 3.9Å; K302-Y318 HydrophobicContact CB-CD2 4.2Å; K302-Y318 HydrophobicContact CB-CE1 3.39Å; K302-Y318 HydrophobicContact CB-CE2 3.74Å; K302-Y318 HydrophobicContact CB-CG 4.29Å; K302-Y318 HydrophobicContact CD-CE2 3.59Å; K302-Y318 WeakPolarHBondContact CD-OH 3.49Å; K302-Y318 HydrophobicContact CG-CE2 4.3Å; K302-Y318 PolarHBondContact N-O 3.29Å; K302-Y318 WeakPolarHBondContact O-CD1 3.29Å; K302-Y318 PolarHBondContact O-N 3.12Å; K302-D319 WeakPolarHBondContact CE-OD2 3.3Å; K302-D319 IonicContact NZ-OD2 2.67Å; K302-D319 PolarHBondContact NZ-OD2 3.48Å
303I90.8Very high77.8Confident50 Ų5066.8 Ų66.826%0.25635%0.352SS..EExtended strand (participates in β ladder)trans-121.9130.8179.3-58.7-176.2000109.8K293 T296 C305 I315 I316 V317K293-I303 HydrophobicContact CB-CD1 4.21Å; K293-I303 HydrophobicContact CG-CD1 3.84Å; T296-I303 HydrophobicContact CG2-CD1 3.86Å; T296-I303 HydrophobicContact CG2-CG1 3.47Å; T296-I303 VanDerWaalsContact CG2-CG1 3.47Å; I303-C305 HydrophobicContact CG2-CB 3.83Å; I303-I315 HydrophobicContact CG2-CG2 3.83Å; I303-I316 CarbonylContact C-O 3.51Å; I303-I316 WeakPolarHBondContact CA-O 3.17Å; I303-V317 HydrophobicContact CG1-CG2 4.46Å
304L89.2Confident77.8Confident15 Ų1563.7 Ų63.78%0.07934%0.339CS..EExtended strand (participates in β ladder)trans-95.4120.8154.1-58.3175.3000107.9I257 M260 D261 I264 I316 Y318I257-L304 HydrophobicContact CG2-CD1 4.01Å; M260-L304 HydrophobicContact CB-CD1 4.39Å; D261-L304 HydrophobicContact CB-CD1 3.91Å; D261-L304 HydrophobicContact CB-CD2 3.94Å; I264-L304 HydrophobicContact CD1-CB 4.26Å; L304-I316 HydrophobicContact CB-CB 4.2Å; L304-I316 PolarHBondContact N-O 3.09Å; L304-I316 PolarHBondContact O-N 2.93Å; L304-Y318 HydrophobicContact CD1-CE1 4.49Å; L304-Y318 HydrophobicContact CD2-CE1 3.92Å; L304-Y318 HydrophobicContact CG-CD1 4.06Å; L304-Y318 HydrophobicContact CG-CE1 3.64Å
305C80Confident77.9Confident46 Ų4655.8 Ų55.831%0.31130%0.304SS..EExtended strand (participates in β ladder)trans-145.5138.4173.8176.90000106.6I303I303-C305 HydrophobicContact CG2-CB 3.83Å
306Y69.8Low78.1Confident17 Ų1753.5 Ų53.57%0.06730%0.295CS..  trans-62158.2176.2-160.1-101.5000111.7I264 T268 I310 S313I264-Y306 HydrophobicContact CG2-CD2 3.74Å; I264-Y306 HydrophobicContact CG2-CG 4.28Å; I264-Y306 WeakPolarHBondContact O-CD2 3.49Å; I264-Y306 WeakPolarHBondContact O-CE2 3.33Å; T268-Y306 WeakPolarHBondContact CA-OH 3.38Å; T268-Y306 VanDerWaalsContact CB-OH 3.31Å; T268-Y306 WeakPolarHBondContact CB-OH 3.32Å; T268-Y306 HydrophobicContact CG2-CE1 4.43Å; T268-Y306 WeakPolarHBondContact CG2-OH 3.49Å; T268-Y306 PolarHBondContact N-OH 3.07Å; Y306-I310 HydrophobicContact CD1-CB 3.72Å; Y306-I310 HydrophobicContact CD1-CD1 3.76Å; Y306-I310 HydrophobicContact CD1-CG1 3.75Å; Y306-I310 HydrophobicContact CE1-CB 3.89Å; Y306-I310 HydrophobicContact CE1-CD1 3.22Å; Y306-I310 HydrophobicContact CE1-CG1 3.34Å; Y306-I310 HydrophobicContact CE2-CD1 3.95Å; Y306-I310 HydrophobicContact CG-CD1 4.4Å; Y306-I310 VanDerWaalsContact OH-CD1 3.25Å; Y306-I310 WeakPolarHBondContact OH-CD1 2.82Å; Y306-S313 VanDerWaalsContact CB-CB 3.46Å; Y306-S313 WeakPolarHBondContact CB-OG 3.48Å; Y306-S313 PolarHBondContact N-OG 3Å; Y306-S313 VanDerWaalsContact N-OG 3.1Å
307N55.4Low78.4Confident121 Ų12153.5 Ų53.565%0.64730%0.295SS*.  trans-56.2148.5172.8-149.6-13.1000110.6K309N307-K309 PolarHBondContact O-N 3.21Å
308Q50.8Low78.9Confident168 Ų16849.5 Ų49.579%0.78527%0.271SS*.THydrogen-bonded Turntrans-60.48.7-167-63.3179.3-7.600117.2
309K46.7Very low79.1Confident137 Ų13749 Ų4960%0.59626%0.262SS*.THydrogen-bonded Turntrans-99.5-19.2-171.9-64.9-169.8176-170.40115.5L273 N307L273-K309 HydrophobicContact CD2-CB 4.15Å; L273-K309 HydrophobicContact CD2-CD 4.45Å; N307-K309 PolarHBondContact O-N 3.21Å
310I53.4Low79.2Confident54 Ų5447.3 Ų47.328%0.27725%0.251SS..SBendtrans-95.8122.9174.2-70.3-179.1000108.6N267 Y306 H312N267-I310 HydrophobicContact CB-CD1 4.08Å; Y306-I310 HydrophobicContact CD1-CB 3.72Å; Y306-I310 HydrophobicContact CD1-CD1 3.76Å; Y306-I310 HydrophobicContact CD1-CG1 3.75Å; Y306-I310 HydrophobicContact CE1-CB 3.89Å; Y306-I310 HydrophobicContact CE1-CD1 3.22Å; Y306-I310 HydrophobicContact CE1-CG1 3.34Å; Y306-I310 HydrophobicContact CE2-CD1 3.95Å; Y306-I310 HydrophobicContact CG-CD1 4.4Å; Y306-I310 VanDerWaalsContact OH-CD1 3.25Å; Y306-I310 WeakPolarHBondContact OH-CD1 2.82Å; I310-H312 PolarHBondContact O-N 2.97Å
311P56.3Low79.3Confident34 Ų3448 Ų4822%0.22124%0.243CC..THydrogen-bonded Turntrans-54.7126.5169.9-15.724.9000109.6Y276 S279Y276-P311 HydrophobicContact CD1-CG 3.68Å; Y276-P311 HydrophobicContact CE1-CG 3.77Å; Y276-P311 HydrophobicContact CG-CG 4.46Å; S279-P311 WeakPolarHBondContact OG-CA 2.98Å; S279-P311 WeakPolarHBondContact OG-CB 3.31Å; S279-P311 VanDerWaalsContact OG-CG 3.26Å; S279-P311 WeakPolarHBondContact OG-CG 3.34Å
312H69.5Low79.1Confident42 Ų4249.6 Ų49.619%0.19425%0.253CS..THydrogen-bonded Turntrans72.536.2162.3-43.1-44.4000117.4E94 M236 P282 I310E94-H312 PolarHBondContact O-NE2 3.24Å; M236-H312 HydrophobicContact CE-CB 3.57Å; M236-H312 HydrophobicContact SD-CB 3.45Å; M236-H312 WeakPolarHBondContact SD-CB 3.44Å; P282-H312 WeakPolarHBondContact CD-ND1 3.49Å; I310-H312 PolarHBondContact O-N 2.97Å
313S77.8Confident78.8Confident10 Ų1049.1 Ų49.17%0.0726%0.263CS..  trans-55.2144.7172.5175.70000112.9Y281 Y306Y281-S313 WeakPolarHBondContact CE1-O 3.41Å; Y281-S313 PolarHBondContact OH-O 3.15Å; Y306-S313 VanDerWaalsContact CB-CB 3.46Å; Y306-S313 WeakPolarHBondContact CB-OG 3.48Å; Y306-S313 PolarHBondContact N-OG 3Å; Y306-S313 VanDerWaalsContact N-OG 3.1Å
314P87.1Confident78.8Confident1 Ų147.9 Ų47.91%0.00626%0.258CS..  trans-55.3147.9161.9-26.837.9000112.5V229 L232 Q233 P333V229-P314 HydrophobicContact CG1-CG 4.33Å; L232-P314 HydrophobicContact CB-CB 3.7Å; L232-P314 HydrophobicContact CB-CG 3.81Å; L232-P314 HydrophobicContact CD1-CB 3.88Å; L232-P314 HydrophobicContact CG-CB 4.35Å; Q233-P314 HydrophobicContact CG-CG 3.4Å; P314-P333 WeakPolarHBondContact CA-O 3.42Å
315I89.7Confident78.6Confident0 Ų047.4 Ų47.40%026%0.256CS..EExtended strand (participates in β ladder)trans-114.7115.4171.1-60.4176.8000107.2Y281 T289 I303 V317 P333 V334 A335Y281-I315 HydrophobicContact CE2-CD1 4.21Å; Y281-I315 WeakPolarHBondContact OH-CG1 3.33Å; T289-I315 HydrophobicContact CG2-CD1 3.64Å; I303-I315 HydrophobicContact CG2-CG2 3.83Å; I315-V317 HydrophobicContact CG2-CG2 4.38Å; I315-P333 PolarHBondContact N-O 3.22Å; I315-V334 HydrophobicContact CB-CG2 4.15Å; I315-V334 HydrophobicContact CD1-CG2 4.36Å; I315-V334 VanDerWaalsContact O-CA 3.29Å; I315-V334 WeakPolarHBondContact O-CA 3.44Å; I315-A335 PolarHBondContact O-N 3Å
316I92.4Very high78.4Confident0 Ų050.9 Ų50.90%027%0.266CS..EExtended strand (participates in β ladder)trans-111.6113178.8-54.6-170.2000108.6V229 L232 M260 I264 I303 L304 V337V229-I316 HydrophobicContact CG2-CD1 4.48Å; L232-I316 HydrophobicContact CD1-CD1 4.17Å; L232-I316 HydrophobicContact CD1-CG1 3.98Å; M260-I316 HydrophobicContact CB-CD1 4.14Å; M260-I316 HydrophobicContact CE-CD1 4.21Å; M260-I316 HydrophobicContact CE-CG2 4.03Å; M260-I316 HydrophobicContact CG-CD1 4.34Å; M260-I316 HydrophobicContact SD-CD1 3.54Å; M260-I316 VanDerWaalsContact SD-CD1 3.54Å; I264-I316 HydrophobicContact CD1-CD1 3.75Å; I264-I316 HydrophobicContact CD1-CG1 4.13Å; I303-I316 CarbonylContact C-O 3.51Å; I303-I316 WeakPolarHBondContact CA-O 3.17Å; L304-I316 HydrophobicContact CB-CB 4.2Å; L304-I316 PolarHBondContact N-O 3.09Å; L304-I316 PolarHBondContact O-N 2.93Å; I316-V337 HydrophobicContact CG2-CG2 3.29Å
317V93.9Very high78.2Confident0 Ų051.6 Ų51.60%027%0.269CS..EExtended strand (participates in β ladder)trans-90.9129.4175.2-177.70000108.7V292 T296 A301 K302 I303 I315 I320 A335 F336 V337V292-V317 HydrophobicContact CG1-CG2 3.71Å; T296-V317 HydrophobicContact CG2-CG1 3.82Å; A301-V317 HydrophobicContact CB-CG1 4.11Å; K302-V317 CarbonylContact O-C 3.53Å; K302-V317 WeakPolarHBondContact O-CA 3.15Å; I303-V317 HydrophobicContact CG1-CG2 4.46Å; I315-V317 HydrophobicContact CG2-CG2 4.38Å; V317-I320 HydrophobicContact CG1-CB 4.39Å; V317-I320 HydrophobicContact CG1-CD1 4.12Å; V317-I320 HydrophobicContact CG1-CG2 4.49Å; V317-A335 PolarHBondContact N-O 3.24Å; V317-F336 HydrophobicContact CB-CD1 3.63Å; V317-F336 HydrophobicContact CB-CE1 3.95Å; V317-F336 HydrophobicContact CB-CG 4.46Å; V317-F336 HydrophobicContact CG1-CD1 3.8Å; V317-F336 HydrophobicContact CG1-CE1 4.06Å; V317-F336 HydrophobicContact CG2-CD1 4.16Å; V317-F336 HydrophobicContact CG2-CE1 3.99Å; V317-F336 CarbonylContact O-C 3.56Å; V317-F336 WeakPolarHBondContact O-CA 3.46Å; V317-V337 PolarHBondContact O-N 3.36Å
318Y95.4Very high78.4Confident38 Ų3846.8 Ų46.815%0.14925%0.245CC..EExtended strand (participates in β ladder)trans-141.7170.9-178.371.3-80.6000111.3I257 A301 K302 L304 I320I257-Y318 HydrophobicContact CD1-CD2 4.29Å; I257-Y318 HydrophobicContact CD1-CG 4.05Å; I257-Y318 HydrophobicContact CG1-CD2 4.38Å; I257-Y318 HydrophobicContact CG2-CD2 4.17Å; I257-Y318 HydrophobicContact CG2-CE2 4.06Å; I257-Y318 HydrophobicContact CG2-CG 4.49Å; A301-Y318 WeakPolarHBondContact CB-O 3.2Å; K302-Y318 HydrophobicContact CB-CD1 3.9Å; K302-Y318 HydrophobicContact CB-CD2 4.2Å; K302-Y318 HydrophobicContact CB-CE1 3.39Å; K302-Y318 HydrophobicContact CB-CE2 3.74Å; K302-Y318 HydrophobicContact CB-CG 4.29Å; K302-Y318 HydrophobicContact CD-CE2 3.59Å; K302-Y318 WeakPolarHBondContact CD-OH 3.49Å; K302-Y318 HydrophobicContact CG-CE2 4.3Å; K302-Y318 PolarHBondContact N-O 3.29Å; K302-Y318 WeakPolarHBondContact O-CD1 3.29Å; K302-Y318 PolarHBondContact O-N 3.12Å; L304-Y318 HydrophobicContact CD1-CE1 4.49Å; L304-Y318 HydrophobicContact CD2-CE1 3.92Å; L304-Y318 HydrophobicContact CG-CD1 4.06Å; L304-Y318 HydrophobicContact CG-CE1 3.64Å; Y318-I320 PolarHBondContact O-N 2.92Å
319D94.2Very high78.7Confident71 Ų7143.5 Ų43.538%0.3823%0.226SC..SBendtrans57.636.4-169.7-62.5-12.9000111.9Y253 K302Y253-D319 WeakPolarHBondContact CE1-OD1 3.48Å; Y253-D319 PolarHBondContact OH-N 3.3Å; Y253-D319 PolarHBondContact OH-OD1 2.87Å; K302-D319 WeakPolarHBondContact CE-OD2 3.3Å; K302-D319 IonicContact NZ-OD2 2.67Å; K302-D319 PolarHBondContact NZ-OD2 3.48Å
320I92.9Very high79.4Confident16 Ų1641.3 Ų41.38%0.08221%0.214CC..  trans-106.9145.3179.4-167.3167.6000111.1V299 A301 V317 Y318 V325 F336 L338V299-I320 HydrophobicContact CG2-CD1 4.43Å; A301-I320 HydrophobicContact CB-CB 3.87Å; A301-I320 HydrophobicContact CB-CD1 4.5Å; A301-I320 HydrophobicContact CB-CG1 4.23Å; V317-I320 HydrophobicContact CG1-CB 4.39Å; V317-I320 HydrophobicContact CG1-CD1 4.12Å; V317-I320 HydrophobicContact CG1-CG2 4.49Å; Y318-I320 PolarHBondContact O-N 2.92Å; I320-V325 HydrophobicContact CD1-CG2 4.22Å; I320-V325 HydrophobicContact CG1-CG2 4.45Å; I320-V325 HydrophobicContact CG2-CG2 4.26Å; I320-F336 HydrophobicContact CD1-CD1 3.89Å; I320-F336 HydrophobicContact CD1-CE1 4.13Å; I320-F336 HydrophobicContact CG2-CB 4.46Å; I320-F336 HydrophobicContact CG2-CD1 4.44Å; I320-L338 HydrophobicContact CG2-CD2 4.15Å; I320-L338 HydrophobicContact CG2-CG 4.33Å
321T91.9Very high80.1Confident75 Ų7539.4 Ų39.446%0.4621%0.205SC..  trans-83.1147.6173.955.80000111.1S323 S324 V325T321-S323 VanDerWaalsContact C-N 3.27Å; T321-S323 PolarHBondContact O-N 3.47Å; T321-S324 WeakPolarHBondContact O-CB 3.44Å; T321-S324 PolarHBondContact O-N 2.77Å; T321-S324 WeakPolarHBondContact OG1-CB 3.35Å; T321-S324 PolarHBondContact OG1-OG 2.86Å; T321-V325 PolarHBondContact O-N 2.91Å
322P90.6Very high81.2Confident43 Ų4337.9 Ų37.928%0.27920%0.196SC..G310 helixtrans-53.5-41.3-179.1-25.230.8000114S324 V325 L338 L349 Y352 F353P322-S324 PolarHBondContact O-N 2.88Å; P322-V325 WeakPolarHBondContact O-CB 3.47Å; P322-V325 PolarHBondContact O-N 3.26Å; P322-L338 HydrophobicContact CB-CD2 4.12Å; P322-L338 HydrophobicContact CG-CD2 3.84Å; P322-L349 HydrophobicContact CB-CD2 3.89Å; P322-L349 HydrophobicContact CG-CD2 3.49Å; P322-L349 VanDerWaalsContact CG-CD2 3.49Å; P322-Y352 HydrophobicContact CB-CE1 4.24Å; P322-F353 HydrophobicContact CB-CZ 4.1Å
323S88Confident82Confident94 Ų9435.9 Ų35.966%0.65719%0.187SC*.G310 helixtrans-70-17.517952.90000114.3T321T321-S323 VanDerWaalsContact C-N 3.27Å; T321-S323 PolarHBondContact O-N 3.47Å
324S88.8Confident82.4Confident24 Ų2435.4 Ų35.417%0.16818%0.183CC..G310 helixtrans-89.7-7.7175.6-57.70000112Y295 T321 P322 K326Y295-S324 WeakPolarHBondContact CE1-O 3.48Å; Y295-S324 PolarHBondContact OH-O 3.43Å; T321-S324 WeakPolarHBondContact O-CB 3.44Å; T321-S324 PolarHBondContact O-N 2.77Å; T321-S324 WeakPolarHBondContact OG1-CB 3.35Å; T321-S324 PolarHBondContact OG1-OG 2.86Å; P322-S324 PolarHBondContact O-N 2.88Å; S324-K326 PolarHBondContact O-N 3.26Å; S324-K326 VanDerWaalsContact O-N 3.09Å
325V85.5Confident82.6Confident5 Ų535.4 Ų35.43%0.0318%0.183CC..  trans-71.1110.8175.81800000108.8I245 I320 T321 P322 F327 F336 L338 F353I245-V325 HydrophobicContact CD1-CG1 3.81Å; I320-V325 HydrophobicContact CD1-CG2 4.22Å; I320-V325 HydrophobicContact CG1-CG2 4.45Å; I320-V325 HydrophobicContact CG2-CG2 4.26Å; T321-V325 PolarHBondContact O-N 2.91Å; P322-V325 WeakPolarHBondContact O-CB 3.47Å; P322-V325 PolarHBondContact O-N 3.26Å; V325-F327 HydrophobicContact CG1-CE1 3.97Å; V325-F327 HydrophobicContact CG1-CE2 3.92Å; V325-F327 HydrophobicContact CG1-CZ 3.62Å; V325-F336 HydrophobicContact CG1-CB 4.35Å; V325-F336 HydrophobicContact CG1-CD1 4.31Å; V325-F336 HydrophobicContact CG1-CD2 3.83Å; V325-F336 HydrophobicContact CG1-CE2 4.19Å; V325-F336 HydrophobicContact CG1-CG 3.9Å; V325-F336 HydrophobicContact CG2-CB 4.23Å; V325-F336 HydrophobicContact CG2-CD1 4.4Å; V325-F336 HydrophobicContact CG2-CG 4.32Å; V325-L338 HydrophobicContact CG2-CD1 4.22Å; V325-L338 HydrophobicContact CG2-CD2 3.99Å; V325-F353 HydrophobicContact CB-CE1 4.14Å; V325-F353 HydrophobicContact CG1-CE1 4.31Å; V325-F353 HydrophobicContact CG2-CE1 4.34Å; V325-F353 HydrophobicContact CG2-CZ 4.36Å
326K75.8Confident82.8Confident119 Ų11935.6 Ų35.652%0.51718%0.184SC..  trans-94.7113173.5-77.2-170.3177.1-179.80110.4Y295 S324 S328Y295-K326 HydrophobicContact CD1-CD 4.46Å; Y295-K326 HydrophobicContact CD2-CD 4.32Å; Y295-K326 HydrophobicContact CE1-CB 4.22Å; Y295-K326 HydrophobicContact CE1-CD 3.98Å; Y295-K326 HydrophobicContact CE1-CG 3.91Å; Y295-K326 HydrophobicContact CE2-CD 3.85Å; S324-K326 PolarHBondContact O-N 3.26Å; S324-K326 VanDerWaalsContact O-N 3.09Å; K326-S328 PolarHBondContact O-N 3.2Å
327F66.5Low83Confident31 Ų3135.6 Ų35.614%0.13618%0.184CC..  trans-76.3105.8164.5-59.3-72.3000108.2I245 V325 F353 H356 F357I245-F327 HydrophobicContact CD1-CE1 3.64Å; I245-F327 HydrophobicContact CD1-CZ 3.58Å; I245-F327 HydrophobicContact CG1-CE1 3.82Å; I245-F327 HydrophobicContact CG1-CZ 3.84Å; V325-F327 HydrophobicContact CG1-CE1 3.97Å; V325-F327 HydrophobicContact CG1-CE2 3.92Å; V325-F327 HydrophobicContact CG1-CZ 3.62Å; F327-F353 AromaticContact CE2-CD1 3.63Å; F327-F353 HydrophobicContact CE2-CD1 3.63Å; F327-F353 AromaticContact CE2-CE1 3.97Å; F327-F353 HydrophobicContact CE2-CE1 3.97Å; F327-F353 AromaticContact CZ-CD1 3.45Å; F327-F353 HydrophobicContact CZ-CD1 3.45Å; F327-F353 VanDerWaalsContact CZ-CD1 3.45Å; F327-F353 AromaticContact CZ-CE1 3.81Å; F327-F353 HydrophobicContact CZ-CE1 3.81Å; F327-F353 HydrophobicContact CZ-CG 4.43Å; F327-H356 AromaticContact CD2-CE1 3.78Å; F327-H356 AromaticContact CD2-CG 3.91Å; F327-H356 AromaticContact CD2-ND1 3.61Å; F327-H356 HydrophobicContact CE2-CB 4.47Å; F327-F357 HydrophobicContact CD1-CD1 4.26Å; F327-F357 AromaticContact CD1-CE1 3.35Å; F327-F357 HydrophobicContact CD1-CE1 3.35Å; F327-F357 AromaticContact CD1-CZ 3.67Å; F327-F357 HydrophobicContact CD1-CZ 3.67Å; F327-F357 HydrophobicContact CE1-CD1 4.44Å; F327-F357 AromaticContact CE1-CE1 3.39Å; F327-F357 HydrophobicContact CE1-CE1 3.39Å; F327-F357 HydrophobicContact CE1-CE2 4.05Å; F327-F357 AromaticContact CE1-CZ 3.15Å; F327-F357 HydrophobicContact CE1-CZ 3.15Å; F327-F357 HydrophobicContact CG-CD1 4.49Å; F327-F357 AromaticContact CG-CE1 3.98Å; F327-F357 HydrophobicContact CG-CE1 3.98Å; F327-F357 HydrophobicContact CZ-CE1 4.05Å; F327-F357 HydrophobicContact CZ-CE2 4.1Å; F327-F357 AromaticContact CZ-CZ 3.64Å; F327-F357 HydrophobicContact CZ-CZ 3.64Å
328S60.3Low83.1Confident20 Ų2035.7 Ų35.714%0.1418%0.184CC..  trans-81.8158.8169.2101.20000109.3Y288 K326 R330Y288-S328 WeakPolarHBondContact CD2-OG 3.07Å; Y288-S328 WeakPolarHBondContact CE2-OG 3.44Å; K326-S328 PolarHBondContact O-N 3.2Å; S328-R330 PolarHBondContact O-N 3.48Å; S328-R330 VanDerWaalsContact O-N 3.09Å; S328-R330 WeakPolarHBondContact OG-CB 3.24Å; S328-R330 PolarHBondContact OG-N 3.02Å; S328-R330 PolarHBondContact OG-O 2.84Å
329R56.8Low83.1Confident99 Ų9936.9 Ų36.937%0.37420%0.197SC..SBendtrans-65.70.1170.6-78.7-172.5-175.9-160.4-4.2113.4C206 E364C206-R329 WeakPolarHBondContact CA-O 3.48Å; C206-R329 WeakPolarHBondContact CB-O 3.4Å; C206-R329 VanDerWaalsContact SG-CA 3.53Å; C206-R329 WeakPolarHBondContact SG-CB 3.12Å; C206-R329 VanDerWaalsContact SG-CG 3.56Å; C206-R329 PolarHBondContact SG-O 2.89Å; R329-E364 IonicContact CZ-OE1 3.43Å; R329-E364 IonicContact NH1-OE1 3.33Å; R329-E364 PolarHBondContact NH1-OE1 3.3Å; R329-E364 IonicContact NH2-OE1 2.78Å; R329-E364 PolarHBondContact NH2-OE1 3.1Å
330R60.8Low83.2Confident91 Ų9133.5 Ų33.534%0.34318%0.18SC..  trans-115.5142.8-171.6-57.8174.6177.2158.9-4.8110.5Y288 E291 S328Y288-R330 HydrophobicContact CD2-CB 4.02Å; Y288-R330 WeakPolarHBondContact CE1-O 3.38Å; Y288-R330 HydrophobicContact CG-CB 3.87Å; E291-R330 IonicContact OE2-NH1 3.47Å; E291-R330 PolarHBondContact OE2-NH1 2.99Å; S328-R330 PolarHBondContact O-N 3.48Å; S328-R330 VanDerWaalsContact O-N 3.09Å; S328-R330 WeakPolarHBondContact OG-CB 3.24Å; S328-R330 PolarHBondContact OG-N 3.02Å; S328-R330 PolarHBondContact OG-O 2.84Å
331S67.8Low83.3Confident15 Ų1540.4 Ų40.411%0.10520%0.204CC..  trans-96.8152.4-176.6-30.70000111C207 C285C207-S331 PolarHBondContact N-OG 3.02Å; C207-S331 VanDerWaalsContact O-CB 3.32Å; C207-S331 WeakPolarHBondContact O-CB 3.28Å; C207-S331 PolarHBondContact O-OG 3.24Å; C285-S331 PolarHBondContact SG-O 3.02Å; C285-S331 VanDerWaalsContact SG-O 3.42Å
332G78.6Confident83.3Confident2 Ų240.4 Ų40.42%0.02120%0.204CC..  trans176.6-179.7169.400000111.5M236 H242 V334M236-G332 CarbonylContact O-C 3.27Å; M236-G332 WeakPolarHBondContact O-CA 3.31Å; H242-G332 PolarHBondContact CE1-O 2.87Å; G332-V334 PolarHBondContact O-N 2.73Å
333P86.4Confident83.2Confident0 Ų040.7 Ų40.70%021%0.206CC..SBendtrans-8056.6-175.635.8-38.7000110L232 M236 Y281 P314 I315L232-P333 HydrophobicContact CB-CB 4.47Å; L232-P333 VanDerWaalsContact O-CB 3.28Å; L232-P333 WeakPolarHBondContact O-CB 3.47Å; M236-P333 HydrophobicContact CE-CB 4.5Å; M236-P333 HydrophobicContact CE-CG 3.74Å; M236-P333 WeakPolarHBondContact O-CD 3.48Å; M236-P333 VanDerWaalsContact O-N 3.11Å; M236-P333 HydrophobicContact SD-CG 4.46Å; Y281-P333 HydrophobicContact CD1-CG 4.2Å; Y281-P333 HydrophobicContact CE1-CG 3.66Å; P314-P333 WeakPolarHBondContact CA-O 3.42Å; I315-P333 PolarHBondContact N-O 3.22Å
334V87.9Confident83.2Confident0 Ų043.9 Ų43.90%021%0.207CC..EExtended strand (participates in β ladder)trans-117.6129.1-176.6-179.50000109.7L232 H242 Y288 T289 V292 I315 G332 F336L232-V334 VanDerWaalsContact CD2-C 3.43Å; H242-V334 PolarHBondContact CE1-O 3.34Å; H242-V334 PolarHBondContact NE2-O 2.85Å; Y288-V334 HydrophobicContact CD1-CG2 4.04Å; Y288-V334 HydrophobicContact CE1-CB 3.78Å; Y288-V334 HydrophobicContact CE1-CG2 3.58Å; T289-V334 HydrophobicContact CG2-CG2 4.3Å; V292-V334 HydrophobicContact CG1-CG1 3.82Å; V292-V334 HydrophobicContact CG2-CG1 4.17Å; V292-V334 HydrophobicContact CG2-CG2 4.37Å; I315-V334 HydrophobicContact CB-CG2 4.15Å; I315-V334 HydrophobicContact CD1-CG2 4.36Å; I315-V334 VanDerWaalsContact O-CA 3.29Å; I315-V334 WeakPolarHBondContact O-CA 3.44Å; G332-V334 PolarHBondContact O-N 2.73Å; V334-F336 HydrophobicContact CG1-CE2 4.06Å; V334-F336 HydrophobicContact CG1-CZ 4.15Å
335A91Very high83.3Confident0 Ų045.3 Ų45.30%021%0.212CC..EExtended strand (participates in β ladder)trans-125.8149.4168.400000112L232 T244 I246 I315 V317L232-A335 HydrophobicContact CD1-CB 3.79Å; L232-A335 HydrophobicContact CD2-CB 3.82Å; L232-A335 HydrophobicContact CG-CB 4.3Å; T244-A335 CarbonylContact O-C 3.59Å; T244-A335 VanDerWaalsContact O-CA 3.3Å; T244-A335 WeakPolarHBondContact O-CA 3.46Å; I246-A335 HydrophobicContact CD1-CB 3.7Å; I246-A335 HydrophobicContact CG1-CB 4.26Å; I315-A335 PolarHBondContact O-N 3Å; V317-A335 PolarHBondContact N-O 3.24Å
336F93.1Very high83.7Confident4 Ų445.1 Ų45.12%0.01821%0.21CC..EExtended strand (participates in β ladder)trans-109125.1171.4-57.4-90.9000109.9T244 I245 I246 V292 V317 I320 V325 V334T244-F336 PolarHBondContact O-N 3.37Å; I245-F336 HydrophobicContact CD1-CB 4.05Å; I245-F336 HydrophobicContact CD1-CD2 4.23Å; I246-F336 PolarHBondContact N-O 2.86Å; V292-F336 HydrophobicContact CG1-CZ 4.5Å; V317-F336 HydrophobicContact CB-CD1 3.63Å; V317-F336 HydrophobicContact CB-CE1 3.95Å; V317-F336 HydrophobicContact CB-CG 4.46Å; V317-F336 HydrophobicContact CG1-CD1 3.8Å; V317-F336 HydrophobicContact CG1-CE1 4.06Å; V317-F336 HydrophobicContact CG2-CD1 4.16Å; V317-F336 HydrophobicContact CG2-CE1 3.99Å; V317-F336 CarbonylContact O-C 3.56Å; V317-F336 WeakPolarHBondContact O-CA 3.46Å; I320-F336 HydrophobicContact CD1-CD1 3.89Å; I320-F336 HydrophobicContact CD1-CE1 4.13Å; I320-F336 HydrophobicContact CG2-CB 4.46Å; I320-F336 HydrophobicContact CG2-CD1 4.44Å; V325-F336 HydrophobicContact CG1-CB 4.35Å; V325-F336 HydrophobicContact CG1-CD1 4.31Å; V325-F336 HydrophobicContact CG1-CD2 3.83Å; V325-F336 HydrophobicContact CG1-CE2 4.19Å; V325-F336 HydrophobicContact CG1-CG 3.9Å; V325-F336 HydrophobicContact CG2-CB 4.23Å; V325-F336 HydrophobicContact CG2-CD1 4.4Å; V325-F336 HydrophobicContact CG2-CG 4.32Å; V334-F336 HydrophobicContact CG1-CE2 4.06Å; V334-F336 HydrophobicContact CG1-CZ 4.15Å
337V96.1Very high84.3Confident0 Ų040.1 Ų40.10%019%0.19CC..EExtended strand (participates in β ladder)trans-101.4121.5178.9-167.30000109.1I246 V248 Y253 I257 M260 I316 V317I246-V337 HydrophobicContact CB-CG1 4.5Å; I246-V337 HydrophobicContact CB-CG2 4.33Å; I246-V337 HydrophobicContact CD1-CG2 4.24Å; I246-V337 HydrophobicContact CG2-CG1 4.42Å; I246-V337 CarbonylContact O-C 3.12Å; I246-V337 WeakPolarHBondContact O-CA 3.45Å; V248-V337 HydrophobicContact CB-CG1 4.47Å; V248-V337 HydrophobicContact CG2-CG1 3.61Å; Y253-V337 HydrophobicContact CD2-CG1 4.43Å; Y253-V337 HydrophobicContact CE2-CG1 3.89Å; I257-V337 HydrophobicContact CD1-CB 4.12Å; I257-V337 HydrophobicContact CD1-CG1 3.86Å; I257-V337 HydrophobicContact CD1-CG2 4.19Å; M260-V337 HydrophobicContact CE-CG2 3.86Å; I316-V337 HydrophobicContact CG2-CG2 3.29Å; V317-V337 PolarHBondContact O-N 3.36Å
338L96.6Very high85.4Confident2 Ų242.4 Ų42.41%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-122.4141-178.2-61.8126.7000109.9I245 I246 L247 V248 I320 P322 V325 F353I245-L338 HydrophobicContact CD1-CD1 4.33Å; I245-L338 HydrophobicContact CG2-CD1 3.85Å; I246-L338 PolarHBondContact O-N 3.21Å; L247-L338 CarbonylContact C-O 3.59Å; L247-L338 WeakPolarHBondContact CA-O 3.17Å; L247-L338 HydrophobicContact CD2-CB 3.97Å; L247-L338 HydrophobicContact CD2-CD1 4.04Å; V248-L338 PolarHBondContact N-O 3.31Å; I320-L338 HydrophobicContact CG2-CD2 4.15Å; I320-L338 HydrophobicContact CG2-CG 4.33Å; P322-L338 HydrophobicContact CB-CD2 4.12Å; P322-L338 HydrophobicContact CG-CD2 3.84Å; V325-L338 HydrophobicContact CG2-CD1 4.22Å; V325-L338 HydrophobicContact CG2-CD2 3.99Å; L338-F353 HydrophobicContact CD1-CE2 3.7Å; L338-F353 HydrophobicContact CD1-CZ 3.5Å; L338-F353 HydrophobicContact CD2-CZ 4.27Å
339C96.2Very high86.8Confident63 Ų6342.5 Ų42.543%0.42621%0.208SC..EExtended strand (participates in β ladder)trans-87.4148.4175.770.70000112.1V248 Y253V248-C339 CarbonylContact O-C 3.53Å; V248-C339 VanDerWaalsContact O-CA 3.26Å; V248-C339 WeakPolarHBondContact O-CA 3.44Å; Y253-C339 HydrophobicContact CD2-CB 3.98Å; Y253-C339 HydrophobicContact CE2-CB 4.27Å; Y253-C339 HydrophobicContact CG-CB 4.45Å
340F96.2Very high88.4Confident1 Ų137.8 Ų37.80%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-135.3158.8163.464.7-96.9000110Y216 L247 V248 E249 E250 T342 E345 L349Y216-F340 AromaticContact CD1-CE2 3.91Å; Y216-F340 HydrophobicContact CD1-CE2 3.91Å; Y216-F340 AromaticContact CD1-CZ 3.83Å; Y216-F340 HydrophobicContact CD1-CZ 3.83Å; Y216-F340 AromaticContact CE1-CE2 3.65Å; Y216-F340 HydrophobicContact CE1-CE2 3.65Å; Y216-F340 AromaticContact CE1-CZ 3.63Å; Y216-F340 HydrophobicContact CE1-CZ 3.63Å; Y216-F340 HydrophobicContact CG-CZ 4.41Å; L247-F340 HydrophobicContact CB-CD1 3.81Å; L247-F340 HydrophobicContact CB-CE1 3.8Å; V248-F340 WeakPolarHBondContact O-CD1 3.26Å; V248-F340 PolarHBondContact O-N 3.35Å; E249-F340 CarbonylContact C-O 3.54Å; E249-F340 WeakPolarHBondContact CA-O 3.35Å; E249-F340 HydrophobicContact CB-CD2 4.35Å; E249-F340 HydrophobicContact CB-CE2 3.63Å; E249-F340 HydrophobicContact CB-CZ 3.75Å; E249-F340 HydrophobicContact CG-CD2 4.3Å; E249-F340 HydrophobicContact CG-CE2 3.77Å; E249-F340 HydrophobicContact CG-CZ 4.4Å; E250-F340 PolarHBondContact N-O 3.08Å; F340-T342 WeakPolarHBondContact CD2-O 3.24Å; F340-E345 HydrophobicContact CB-CB 4.38Å; F340-E345 HydrophobicContact CB-CG 4.11Å; F340-L349 HydrophobicContact CB-CD1 3.96Å
341R94.8Very high89.5Confident160 Ų16035.4 Ų35.460%0.60419%0.186SC*.SBendtrans-107.2-26.1-175.9-59.3178-92.1-171.7-14.5113.2E250 E345E250-R341 HydrophobicContact CB-CG 4.22Å; E250-R341 VanDerWaalsContact OE2-CG 3.28Å; E250-R341 WeakPolarHBondContact OE2-CG 3.2Å; R341-E345 WeakPolarHBondContact CA-OE2 3.37Å; R341-E345 WeakPolarHBondContact CB-OE2 3.36Å; R341-E345 PolarHBondContact N-OE2 3.44Å; R341-E345 IonicContact NE-OE1 3.65Å; R341-E345 IonicContact NE-OE2 3.43Å; R341-E345 IonicContact NH2-OE1 3.06Å
342T91.1Very high90.3Very high75 Ų7539 Ų3946%0.4620%0.198SC..SBendtrans-138.1158.5-177680000111.6F340 K344 E345 S346F340-T342 WeakPolarHBondContact CD2-O 3.24Å; T342-K344 VanDerWaalsContact C-N 3.27Å; T342-K344 PolarHBondContact O-N 2.94Å; T342-E345 PolarHBondContact O-N 3.44Å; T342-E345 VanDerWaalsContact O-N 3.14Å; T342-E345 WeakPolarHBondContact OG1-CB 3.17Å; T342-E345 PolarHBondContact OG1-N 3.35Å; T342-E345 VanDerWaalsContact OG1-N 3.13Å; T342-S346 PolarHBondContact O-N 3.28Å
343V88.6Confident90.6Very high50 Ų5039 Ų3930%0.30320%0.197SC..Hα-helixtrans-52.9-45.2171.6168.10000111.4Y216 E345 S346 V347 L387 M390Y216-V343 HydrophobicContact CE1-CG2 4Å; V343-E345 PolarHBondContact O-N 2.99Å; V343-S346 PolarHBondContact O-N 3.18Å; V343-S346 PolarHBondContact O-OG 3.44Å; V343-V347 WeakPolarHBondContact O-CG2 3.43Å; V343-V347 PolarHBondContact O-N 3.14Å; V343-L387 HydrophobicContact CB-CD2 4.44Å; V343-L387 HydrophobicContact CG1-CD2 3.42Å; V343-L387 VanDerWaalsContact CG1-CD2 3.42Å; V343-L387 HydrophobicContact CG1-CG 4.43Å; V343-L387 HydrophobicContact CG2-CD2 4.39Å; V343-M390 HydrophobicContact CG1-CE 4.16Å; V343-M390 HydrophobicContact CG1-SD 3.71Å
344K88.1Confident90.2Very high160 Ų16039 Ų3970%0.69620%0.198SC*.Hα-helixtrans-61.3-43178.2-71.5-176.3179-179.40112.3T342 S346 V347 S348 M390T342-K344 VanDerWaalsContact C-N 3.27Å; T342-K344 PolarHBondContact O-N 2.94Å; K344-S346 VanDerWaalsContact C-N 3.34Å; K344-V347 PolarHBondContact O-N 2.88Å; K344-S348 PolarHBondContact O-N 2.93Å; K344-S348 PolarHBondContact O-OG 3.21Å; K344-S348 VanDerWaalsContact O-OG 3.13Å; K344-M390 HydrophobicContact CG-CE 4.04Å
345E92.2Very high89.6Confident55 Ų5542.4 Ų42.426%0.25722%0.216SC..Hα-helixtrans-63.3-41.3176-173.5176-160.600111.4F340 R341 T342 V343 V347 S348 L349F340-E345 HydrophobicContact CB-CB 4.38Å; F340-E345 HydrophobicContact CB-CG 4.11Å; R341-E345 WeakPolarHBondContact CA-OE2 3.37Å; R341-E345 WeakPolarHBondContact CB-OE2 3.36Å; R341-E345 PolarHBondContact N-OE2 3.44Å; R341-E345 IonicContact NE-OE1 3.65Å; R341-E345 IonicContact NE-OE2 3.43Å; R341-E345 IonicContact NH2-OE1 3.06Å; T342-E345 PolarHBondContact O-N 3.44Å; T342-E345 VanDerWaalsContact O-N 3.14Å; T342-E345 WeakPolarHBondContact OG1-CB 3.17Å; T342-E345 PolarHBondContact OG1-N 3.35Å; T342-E345 VanDerWaalsContact OG1-N 3.13Å; V343-E345 PolarHBondContact O-N 2.99Å; E345-V347 VanDerWaalsContact C-N 3.34Å; E345-V347 PolarHBondContact O-N 3.33Å; E345-S348 PolarHBondContact O-N 3.27Å; E345-L349 HydrophobicContact CG-CD1 4.29Å; E345-L349 WeakPolarHBondContact O-CG 3.48Å; E345-L349 PolarHBondContact O-N 2.65Å
346S92.7Very high88.8Confident0 Ų045 Ų450%023%0.228CC..Hα-helixtrans-60.5-41.3177.176.40000112.7M214 Y216 T342 V343 K344 L350M214-S346 WeakPolarHBondContact CE-OG 3.49Å; Y216-S346 PolarHBondContact OH-OG 2.83Å; T342-S346 PolarHBondContact O-N 3.28Å; V343-S346 PolarHBondContact O-N 3.18Å; V343-S346 PolarHBondContact O-OG 3.44Å; K344-S346 VanDerWaalsContact C-N 3.34Å; S346-L350 WeakPolarHBondContact O-CB 3.35Å; S346-L350 PolarHBondContact O-N 3.47Å
347V88.8Confident87.8Confident14 Ų1445.1 Ų45.19%0.08523%0.228CC..Hα-helixtrans-70.6-39.6177.5175.80000111V343 K344 E345 L350 T351 M390 L391 S394V343-V347 WeakPolarHBondContact O-CG2 3.43Å; V343-V347 PolarHBondContact O-N 3.14Å; K344-V347 PolarHBondContact O-N 2.88Å; E345-V347 VanDerWaalsContact C-N 3.34Å; E345-V347 PolarHBondContact O-N 3.33Å; V347-L350 WeakPolarHBondContact O-CB 3.26Å; V347-L350 PolarHBondContact O-N 3.43Å; V347-T351 PolarHBondContact O-N 2.88Å; V347-T351 PolarHBondContact O-OG1 2.76Å; V347-T351 VanDerWaalsContact O-OG1 3.09Å; V347-M390 HydrophobicContact CB-CE 4.34Å; V347-M390 HydrophobicContact CG2-CB 4.22Å; V347-M390 HydrophobicContact CG2-CE 4.01Å; V347-L391 HydrophobicContact CG2-CD2 4.29Å; V347-S394 WeakPolarHBondContact CG1-OG 2.94Å
348S88.6Confident86.3Confident79 Ų7946.6 Ų46.655%0.55224%0.236SC*.Hα-helixtrans-62.4-43174.7-65.20000112.5K344 E345 T351 Y352K344-S348 PolarHBondContact O-N 2.93Å; K344-S348 PolarHBondContact O-OG 3.21Å; K344-S348 VanDerWaalsContact O-OG 3.13Å; E345-S348 PolarHBondContact O-N 3.27Å; S348-T351 PolarHBondContact O-N 3.43Å; S348-Y352 WeakPolarHBondContact O-CB 2.99Å; S348-Y352 PolarHBondContact O-N 2.77Å
349L91.5Very high84.5Confident22 Ų2248.8 Ų48.812%0.11525%0.248CC..Hα-helixtrans-64.3-41.6175-74.1171.8000111.5L247 P322 F340 E345 Y352 F353L247-L349 HydrophobicContact CD1-CB 4.19Å; L247-L349 HydrophobicContact CD2-CB 4.39Å; L247-L349 HydrophobicContact CD2-CD1 4.48Å; P322-L349 HydrophobicContact CB-CD2 3.89Å; P322-L349 HydrophobicContact CG-CD2 3.49Å; P322-L349 VanDerWaalsContact CG-CD2 3.49Å; F340-L349 HydrophobicContact CB-CD1 3.96Å; E345-L349 HydrophobicContact CG-CD1 4.29Å; E345-L349 WeakPolarHBondContact O-CG 3.48Å; E345-L349 PolarHBondContact O-N 2.65Å; L349-Y352 WeakPolarHBondContact O-CB 3.4Å; L349-Y352 PolarHBondContact O-N 3.15Å; L349-F353 HydrophobicContact CB-CE2 4.49Å; L349-F353 WeakPolarHBondContact O-CD2 3.32Å; L349-F353 PolarHBondContact O-N 3.19Å
350L89.9Confident82.3Confident0 Ų049.1 Ų49.10%024%0.243CC..Hα-helixtrans-59.5-50.8176.3179.872.3000111.4I212 M214 L247 S346 V347 Y352 F353 I354 I374 L391 V396I212-L350 HydrophobicContact CB-CD1 4.07Å; I212-L350 HydrophobicContact CD1-CD1 3.51Å; I212-L350 HydrophobicContact CG1-CD1 4.34Å; I212-L350 HydrophobicContact CG2-CD1 3.9Å; M214-L350 HydrophobicContact SD-CD2 4.13Å; L247-L350 HydrophobicContact CD1-CB 4.36Å; S346-L350 WeakPolarHBondContact O-CB 3.35Å; S346-L350 PolarHBondContact O-N 3.47Å; V347-L350 WeakPolarHBondContact O-CB 3.26Å; V347-L350 PolarHBondContact O-N 3.43Å; L350-Y352 VanDerWaalsContact C-N 3.28Å; L350-Y352 PolarHBondContact O-N 3.13Å; L350-F353 PolarHBondContact O-N 2.88Å; L350-F353 VanDerWaalsContact O-N 3.15Å; L350-I354 HydrophobicContact CD1-CD1 3.96Å; L350-I354 HydrophobicContact CD1-CG1 4.4Å; L350-I354 HydrophobicContact CD2-CD1 4.27Å; L350-I354 HydrophobicContact CG-CD1 3.73Å; L350-I354 HydrophobicContact CG-CG1 4.44Å; L350-I354 WeakPolarHBondContact O-CG1 3.5Å; L350-I354 PolarHBondContact O-N 3.37Å; L350-I374 HydrophobicContact CD1-CG2 3.86Å; L350-I374 HydrophobicContact CD2-CG2 4.25Å; L350-L391 HydrophobicContact CD2-CD2 3.08Å; L350-V396 HydrophobicContact CD2-CG2 3.78Å; L350-V396 HydrophobicContact CG-CG2 4.48Å
351T83.7Confident79.7Confident42 Ų4252.7 Ų52.726%0.25826%0.259SS..Hα-helixtrans-57.4-44.1176.8-57.90000110.7V347 S348 F353 I354 D355 S394V347-T351 PolarHBondContact O-N 2.88Å; V347-T351 PolarHBondContact O-OG1 2.76Å; V347-T351 VanDerWaalsContact O-OG1 3.09Å; S348-T351 PolarHBondContact O-N 3.43Å; T351-F353 VanDerWaalsContact C-N 3.33Å; T351-F353 PolarHBondContact O-N 3.06Å; T351-I354 PolarHBondContact O-N 2.98Å; T351-D355 WeakPolarHBondContact O-CB 3.43Å; T351-D355 PolarHBondContact O-N 2.91Å; T351-S394 PolarHBondContact OG1-OG 3.07Å
352Y84.8Confident77Confident91 Ų9147 Ų4736%0.35724%0.243SC..Hα-helixtrans-54.6-46.3175.6169.4-98.3000112.7P322 S348 L349 L350 H356P322-Y352 HydrophobicContact CB-CE1 4.24Å; S348-Y352 WeakPolarHBondContact O-CB 2.99Å; S348-Y352 PolarHBondContact O-N 2.77Å; L349-Y352 WeakPolarHBondContact O-CB 3.4Å; L349-Y352 PolarHBondContact O-N 3.15Å; L350-Y352 VanDerWaalsContact C-N 3.28Å; L350-Y352 PolarHBondContact O-N 3.13Å; Y352-H356 WeakPolarHBondContact O-CB 3.39Å; Y352-H356 PolarHBondContact O-N 3.21Å
353F84.7Confident74.4Confident0 Ų043.7 Ų43.70%022%0.223CC..Hα-helixtrans-71-42.1179.4-71.7-58.7000112.5I212 I245 L247 P322 V325 F327 L338 L349 L350 T351 D355 H356 F357I212-F353 HydrophobicContact CD1-CB 4.14Å; I245-F353 HydrophobicContact CD1-CD1 4.42Å; I245-F353 HydrophobicContact CD1-CE1 4.23Å; I245-F353 HydrophobicContact CD1-CZ 4.48Å; I245-F353 HydrophobicContact CG1-CD1 4.45Å; I245-F353 HydrophobicContact CG1-CG 4.46Å; I245-F353 HydrophobicContact CG2-CD2 3.88Å; I245-F353 HydrophobicContact CG2-CE2 3.94Å; I245-F353 HydrophobicContact CG2-CG 4.39Å; I245-F353 HydrophobicContact CG2-CZ 4.47Å; L247-F353 HydrophobicContact CD2-CD2 4.46Å; L247-F353 HydrophobicContact CD2-CE2 4.05Å; P322-F353 HydrophobicContact CB-CZ 4.1Å; V325-F353 HydrophobicContact CB-CE1 4.14Å; V325-F353 HydrophobicContact CG1-CE1 4.31Å; V325-F353 HydrophobicContact CG2-CE1 4.34Å; V325-F353 HydrophobicContact CG2-CZ 4.36Å; F327-F353 AromaticContact CE2-CD1 3.63Å; F327-F353 HydrophobicContact CE2-CD1 3.63Å; F327-F353 AromaticContact CE2-CE1 3.97Å; F327-F353 HydrophobicContact CE2-CE1 3.97Å; F327-F353 AromaticContact CZ-CD1 3.45Å; F327-F353 HydrophobicContact CZ-CD1 3.45Å; F327-F353 VanDerWaalsContact CZ-CD1 3.45Å; F327-F353 AromaticContact CZ-CE1 3.81Å; F327-F353 HydrophobicContact CZ-CE1 3.81Å; F327-F353 HydrophobicContact CZ-CG 4.43Å; L338-F353 HydrophobicContact CD1-CE2 3.7Å; L338-F353 HydrophobicContact CD1-CZ 3.5Å; L338-F353 HydrophobicContact CD2-CZ 4.27Å; L349-F353 HydrophobicContact CB-CE2 4.49Å; L349-F353 WeakPolarHBondContact O-CD2 3.32Å; L349-F353 PolarHBondContact O-N 3.19Å; L350-F353 PolarHBondContact O-N 2.88Å; L350-F353 VanDerWaalsContact O-N 3.15Å; T351-F353 VanDerWaalsContact C-N 3.33Å; T351-F353 PolarHBondContact O-N 3.06Å; F353-D355 VanDerWaalsContact C-N 3.32Å; F353-D355 PolarHBondContact O-N 3.17Å; F353-H356 CarbonylContact O-C 3.39Å; F353-H356 WeakPolarHBondContact O-CB 3.36Å; F353-H356 PolarHBondContact O-N 3.33Å; F353-H356 VanDerWaalsContact O-N 3.12Å; F353-F357 HydrophobicContact CB-CD2 4.3Å; F353-F357 HydrophobicContact CB-CE2 4.1Å; F353-F357 WeakPolarHBondContact O-CD2 3.48Å; F353-F357 WeakPolarHBondContact O-CG 3.45Å; F353-F357 PolarHBondContact O-N 2.94Å
354I78.8Confident72Confident1 Ų147.8 Ų47.81%0.00524%0.239CC..Hα-helixtrans-59.3-45.4176.7-70.2172.2000110.6I212 L350 T351 H356 F357 N358 F372 S394 V396I212-I354 HydrophobicContact CD1-CG1 4.41Å; L350-I354 HydrophobicContact CD1-CD1 3.96Å; L350-I354 HydrophobicContact CD1-CG1 4.4Å; L350-I354 HydrophobicContact CD2-CD1 4.27Å; L350-I354 HydrophobicContact CG-CD1 3.73Å; L350-I354 HydrophobicContact CG-CG1 4.44Å; L350-I354 WeakPolarHBondContact O-CG1 3.5Å; L350-I354 PolarHBondContact O-N 3.37Å; T351-I354 PolarHBondContact O-N 2.98Å; I354-H356 VanDerWaalsContact C-N 3.29Å; I354-H356 PolarHBondContact O-N 3.22Å; I354-F357 PolarHBondContact O-N 3.09Å; I354-N358 WeakPolarHBondContact CG2-ND2 3.32Å; I354-N358 WeakPolarHBondContact O-CB 3.39Å; I354-N358 PolarHBondContact O-N 3.28Å; I354-N358 PolarHBondContact O-ND2 2.79Å; I354-F372 HydrophobicContact CD1-CD1 4.38Å; I354-F372 HydrophobicContact CD1-CG 4.49Å; I354-F372 HydrophobicContact CG1-CD1 3.88Å; I354-F372 HydrophobicContact CG1-CD2 4.47Å; I354-F372 HydrophobicContact CG1-CE1 4.01Å; I354-F372 HydrophobicContact CG1-CG 4.15Å; I354-F372 HydrophobicContact CG1-CZ 4.4Å; I354-F372 HydrophobicContact CG2-CD2 4.18Å; I354-F372 HydrophobicContact CG2-CE2 4.33Å; I354-S394 WeakPolarHBondContact CD1-O 3.49Å; I354-V396 HydrophobicContact CD1-CG2 3.44Å; I354-V396 VanDerWaalsContact CD1-CG2 3.44Å
355D73.8Confident69.4Low72 Ų7241.6 Ų41.639%0.38521%0.214SC..Hα-helixtrans-60.4-41.5175.6-69.2-14.6000111.1T351 F353 F357 N358 N359T351-D355 WeakPolarHBondContact O-CB 3.43Å; T351-D355 PolarHBondContact O-N 2.91Å; F353-D355 VanDerWaalsContact C-N 3.32Å; F353-D355 PolarHBondContact O-N 3.17Å; D355-F357 PolarHBondContact O-N 3.23Å; D355-N358 PolarHBondContact O-N 2.82Å; D355-N359 WeakPolarHBondContact O-CB 3.04Å; D355-N359 PolarHBondContact O-N 2.6Å
356H74.5Confident66.8Low55 Ų5541.9 Ų41.926%0.25522%0.223SC..Hα-helixtrans-65.5-37.2176.5-163.1-46.9000112.4F327 Y352 F353 I354 N363F327-H356 AromaticContact CD2-CE1 3.78Å; F327-H356 AromaticContact CD2-CG 3.91Å; F327-H356 AromaticContact CD2-ND1 3.61Å; F327-H356 HydrophobicContact CE2-CB 4.47Å; Y352-H356 WeakPolarHBondContact O-CB 3.39Å; Y352-H356 PolarHBondContact O-N 3.21Å; F353-H356 CarbonylContact O-C 3.39Å; F353-H356 WeakPolarHBondContact O-CB 3.36Å; F353-H356 PolarHBondContact O-N 3.33Å; F353-H356 VanDerWaalsContact O-N 3.12Å; I354-H356 VanDerWaalsContact C-N 3.29Å; I354-H356 PolarHBondContact O-N 3.22Å; H356-N363 PolarHBondContact O-ND2 3.29Å
357F71.7Confident64Low5 Ų544 Ų442%0.02224%0.236CC..Hα-helixtrans-74.1-33.2177.3-74.1-62000113.1I212 I245 F327 F353 I354 D355 N359 N363 F372I212-F357 HydrophobicContact CD1-CE2 4.15Å; I245-F357 HydrophobicContact CG1-CE2 4.32Å; I245-F357 HydrophobicContact CG1-CZ 4.15Å; F327-F357 HydrophobicContact CD1-CD1 4.26Å; F327-F357 AromaticContact CD1-CE1 3.35Å; F327-F357 HydrophobicContact CD1-CE1 3.35Å; F327-F357 AromaticContact CD1-CZ 3.67Å; F327-F357 HydrophobicContact CD1-CZ 3.67Å; F327-F357 HydrophobicContact CE1-CD1 4.44Å; F327-F357 AromaticContact CE1-CE1 3.39Å; F327-F357 HydrophobicContact CE1-CE1 3.39Å; F327-F357 HydrophobicContact CE1-CE2 4.05Å; F327-F357 AromaticContact CE1-CZ 3.15Å; F327-F357 HydrophobicContact CE1-CZ 3.15Å; F327-F357 HydrophobicContact CG-CD1 4.49Å; F327-F357 AromaticContact CG-CE1 3.98Å; F327-F357 HydrophobicContact CG-CE1 3.98Å; F327-F357 HydrophobicContact CZ-CE1 4.05Å; F327-F357 HydrophobicContact CZ-CE2 4.1Å; F327-F357 AromaticContact CZ-CZ 3.64Å; F327-F357 HydrophobicContact CZ-CZ 3.64Å; F353-F357 HydrophobicContact CB-CD2 4.3Å; F353-F357 HydrophobicContact CB-CE2 4.1Å; F353-F357 WeakPolarHBondContact O-CD2 3.48Å; F353-F357 WeakPolarHBondContact O-CG 3.45Å; F353-F357 PolarHBondContact O-N 2.94Å; I354-F357 PolarHBondContact O-N 3.09Å; D355-F357 PolarHBondContact O-N 3.23Å; F357-N359 VanDerWaalsContact C-N 3.3Å; F357-N363 PolarHBondContact O-ND2 3.2Å; F357-F372 HydrophobicContact CB-CE1 4.45Å; F357-F372 HydrophobicContact CB-CE2 3.75Å; F357-F372 HydrophobicContact CB-CZ 3.32Å; F357-F372 AromaticContact CD2-CE1 3.65Å; F357-F372 HydrophobicContact CD2-CE1 3.65Å; F357-F372 HydrophobicContact CD2-CE2 4.45Å; F357-F372 AromaticContact CD2-CZ 3.31Å; F357-F372 HydrophobicContact CD2-CZ 3.31Å; F357-F372 HydrophobicContact CE2-CE1 4.15Å; F357-F372 HydrophobicContact CE2-CZ 4.19Å; F357-F372 HydrophobicContact CG-CE1 4.29Å; F357-F372 HydrophobicContact CG-CE2 4.43Å; F357-F372 AromaticContact CG-CZ 3.52Å; F357-F372 HydrophobicContact CG-CZ 3.52Å
358N65.4Low61.7Low31 Ų3147.1 Ų47.117%0.16625%0.252CS..Hα-helixtrans-80.4-11.3176.2-71-24.9000112.8R210 I354 D355 H360R210-N358 PolarHBondContact NH2-OD1 2.92Å; I354-N358 WeakPolarHBondContact CG2-ND2 3.32Å; I354-N358 WeakPolarHBondContact O-CB 3.39Å; I354-N358 PolarHBondContact O-N 3.28Å; I354-N358 PolarHBondContact O-ND2 2.79Å; D355-N358 PolarHBondContact O-N 2.82Å; N358-H360 PolarHBondContact O-CD2 3.23Å; N358-H360 PolarHBondContact O-N 2.93Å
359N59Low59.6Low49 Ų4945.6 Ų45.626%0.26224%0.241SC..  trans-68.8100.8176.6-160.8-21.2000111.2D355 F357 K361 S362 N363 C611D355-N359 WeakPolarHBondContact O-CB 3.04Å; D355-N359 PolarHBondContact O-N 2.6Å; F357-N359 VanDerWaalsContact C-N 3.3Å; N359-K361 PolarHBondContact O-N 2.92Å; N359-K361 PolarHBondContact OD1-N 3.44Å; N359-S362 PolarHBondContact O-N 3.45Å; N359-S362 PolarHBondContact O-OG 3.28Å; N359-N363 PolarHBondContact O-N 3.37Å; N359-C611 VanDerWaalsContact CA-SG 3.56Å; N359-C611 VanDerWaalsContact CB-SG 3.57Å; N359-C611 PolarHBondContact OD1-SG 2.8Å
360H49.9Very low57.8Low69 Ų6946.5 Ų46.532%0.31924%0.243SC..THydrogen-bonded Turntrans-59.1-18.5-178.5-64.6-70.5000113.7N358 N363N358-H360 PolarHBondContact O-CD2 3.23Å; N358-H360 PolarHBondContact O-N 2.93Å; H360-N363 CarbonylContact C-O 3.6Å; H360-N363 VanDerWaalsContact CA-O 3.3Å; H360-N363 WeakPolarHBondContact CA-O 3.48Å; H360-N363 CarbonylContact O-C 3.58Å
361K41.3Very low56.8Low77 Ų7748.7 Ų48.734%0.33525%0.254SS..THydrogen-bonded Turntrans-75-36.1178-77.7178.6175.4165.10113.8N359 N434 Y439N359-K361 PolarHBondContact O-N 2.92Å; N359-K361 PolarHBondContact OD1-N 3.44Å; K361-N434 WeakPolarHBondContact CE-OD1 3.44Å; K361-N434 PolarHBondContact NZ-OD1 2.91Å; K361-Y439 PolarHBondContact NZ-OH 3.48Å; K361-Y439 VanDerWaalsContact NZ-OH 3.11Å
362S37.4Very low56.5Low40 Ų4046.9 Ų46.928%0.2824%0.242SC..THydrogen-bonded Turntrans-84.2-36176.3390000111.4N359N359-S362 PolarHBondContact O-N 3.45Å; N359-S362 PolarHBondContact O-OG 3.28Å
363N37.1Very low56.5Low6 Ų642.6 Ų42.63%0.03223%0.226CC..  trans-122.3109.3-174.3-57-38.4000107.4H356 F357 N359 H360 V365H356-N363 PolarHBondContact O-ND2 3.29Å; F357-N363 PolarHBondContact O-ND2 3.2Å; N359-N363 PolarHBondContact O-N 3.37Å; H360-N363 CarbonylContact C-O 3.6Å; H360-N363 VanDerWaalsContact CA-O 3.3Å; H360-N363 WeakPolarHBondContact CA-O 3.48Å; H360-N363 CarbonylContact O-C 3.58Å; N363-V365 HydrophobicContact CB-CG2 3.57Å; N363-V365 WeakPolarHBondContact O-CG2 3.37Å; N363-V365 PolarHBondContact O-N 3.34Å
364E38.9Very low56.9Low135 Ų13542.6 Ų42.663%0.63123%0.226SC*.  trans-66.476.4163.7-79.4164.4-13100107.3R329 S366R329-E364 IonicContact CZ-OE1 3.43Å; R329-E364 IonicContact NH1-OE1 3.33Å; R329-E364 PolarHBondContact NH1-OE1 3.3Å; R329-E364 IonicContact NH2-OE1 2.78Å; R329-E364 PolarHBondContact NH2-OE1 3.1Å; E364-S366 PolarHBondContact O-N 2.85Å
365V33.7Very low57.6Low31 Ų3142.5 Ų42.519%0.18823%0.225CC..  trans-72.7122.4-178.1-169.70000106.8R210 N363R210-V365 VanDerWaalsContact NH2-CG1 3.32Å; N363-V365 HydrophobicContact CB-CG2 3.57Å; N363-V365 WeakPolarHBondContact O-CG2 3.37Å; N363-V365 PolarHBondContact O-N 3.34Å
366S36.8Very low58.5Low61 Ų6139.1 Ų39.143%0.42721%0.207SC..  trans-45.2135.9169.7172.10000109.8E364 L368 S369E364-S366 PolarHBondContact O-N 2.85Å; S366-L368 CarbonylContact O-C 3.57Å; S366-L368 PolarHBondContact O-N 2.98Å; S366-L368 PolarHBondContact OG-N 3.16Å; S366-S369 VanDerWaalsContact O-CA 3.28Å; S366-S369 WeakPolarHBondContact O-CA 3.3Å; S366-S369 WeakPolarHBondContact O-CB 3.45Å; S366-S369 PolarHBondContact O-N 3.02Å
367P34.7Very low59.5Low44 Ų4437.1 Ų37.129%0.28620%0.197SC..THydrogen-bonded Turntrans-58.4-9.1175.320.1-29.3000113.4S369 T427P367-S369 PolarHBondContact O-N 3.34Å; P367-T427 HydrophobicContact CG-CG2 4.29Å
368L39.7Very low60.4Low79 Ų7937 Ų3741%0.41420%0.197SC..THydrogen-bonded Turntrans-78.120.7164.4-61.7169.8000113.1S366 Y370S366-L368 CarbonylContact O-C 3.57Å; S366-L368 PolarHBondContact O-N 2.98Å; S366-L368 PolarHBondContact OG-N 3.16Å; L368-Y370 PolarHBondContact O-N 3.44Å; L368-Y370 VanDerWaalsContact O-N 3.12Å
369S44.5Very low61.5Low48 Ų4839.2 Ų39.234%0.33621%0.212SC..PPolyproline II helixtrans-50.2117.3-165.1750000112R210 S366 P367R210-S369 VanDerWaalsContact NH1-CB 3.34Å; S366-S369 VanDerWaalsContact O-CA 3.28Å; S366-S369 WeakPolarHBondContact O-CA 3.3Å; S366-S369 WeakPolarHBondContact O-CB 3.45Å; S366-S369 PolarHBondContact O-N 3.02Å; P367-S369 PolarHBondContact O-N 3.34Å
370Y54Low62.8Low40 Ų4039.8 Ų39.816%0.15722%0.215CC..PPolyproline II helixtrans-56.5143.2-171.9-52.6-79.5000112.5F142 R210 I240 L368F142-Y370 HydrophobicContact CD1-CE1 4.12Å; F142-Y370 HydrophobicContact CD2-CD1 4.37Å; F142-Y370 AromaticContact CD2-CE1 3.65Å; F142-Y370 HydrophobicContact CD2-CE1 3.65Å; F142-Y370 HydrophobicContact CE1-CE1 4.07Å; F142-Y370 HydrophobicContact CE2-CD1 4.15Å; F142-Y370 AromaticContact CE2-CE1 3.58Å; F142-Y370 HydrophobicContact CE2-CE1 3.58Å; F142-Y370 AromaticContact CG-CE1 3.93Å; F142-Y370 HydrophobicContact CG-CE1 3.93Å; F142-Y370 AromaticContact CZ-CE1 3.8Å; F142-Y370 HydrophobicContact CZ-CE1 3.8Å; R210-Y370 WeakPolarHBondContact CD-O 3.33Å; R210-Y370 PolarHBondContact NH1-O 2.97Å; I240-Y370 HydrophobicContact CD1-CD1 3.43Å; I240-Y370 VanDerWaalsContact CD1-CD1 3.43Å; I240-Y370 HydrophobicContact CD1-CE1 3.66Å; I240-Y370 HydrophobicContact CD1-CG 4.34Å; I240-Y370 HydrophobicContact CG1-CD1 3.74Å; I240-Y370 HydrophobicContact CG1-CE1 3.97Å; I240-Y370 HydrophobicContact CG1-CG 4.24Å; L368-Y370 PolarHBondContact O-N 3.44Å; L368-Y370 VanDerWaalsContact O-N 3.12Å
371E68.1Low64.5Low47 Ų4736.6 Ų36.622%0.2220%0.2CC..PPolyproline II helixtrans-56.8139.1171.1-68.2-168.8151.100110.7A373 D397 N398 M412 R415 L419E371-A373 PolarHBondContact O-N 3.48Å; E371-D397 WeakPolarHBondContact CA-OD2 3.39Å; E371-D397 HydrophobicContact CB-CB 3.98Å; E371-D397 HydrophobicContact CG-CB 4.28Å; E371-N398 WeakPolarHBondContact CB-ND2 3.28Å; E371-N398 PolarHBondContact OE2-ND2 2.85Å; E371-M412 HydrophobicContact CB-CE 4.41Å; E371-R415 IonicContact OE1-NE 3.06Å; E371-R415 IonicContact OE1-NH2 3.96Å; E371-R415 IonicContact OE2-CZ 3.81Å; E371-R415 IonicContact OE2-NE 2.85Å; E371-R415 PolarHBondContact OE2-NE 3.04Å; E371-R415 IonicContact OE2-NH2 2.93Å; E371-R415 PolarHBondContact OE2-NH2 3.43Å; E371-L419 HydrophobicContact CG-CD1 4.32Å; E371-L419 WeakPolarHBondContact OE1-CD1 3.36Å; E371-L419 WeakPolarHBondContact OE1-CD2 3.36Å; E371-L419 VanDerWaalsContact OE2-CD1 3.24Å; E371-L419 WeakPolarHBondContact OE2-CD1 3.47Å
372F77.2Confident66.5Low3 Ų337.3 Ų37.31%0.01321%0.208CC..PPolyproline II helixtrans-74125.9176.5-106.8-78.2000110.3R210 I212 I354 F357 D397 N398R210-F372 HydrophobicContact CB-CD1 4.11Å; R210-F372 HydrophobicContact CB-CD2 4.49Å; R210-F372 HydrophobicContact CB-CE1 3.85Å; R210-F372 HydrophobicContact CB-CE2 4.27Å; R210-F372 HydrophobicContact CB-CG 4.38Å; R210-F372 HydrophobicContact CB-CZ 3.89Å; R210-F372 HydrophobicContact CG-CE1 4.27Å; R210-F372 HydrophobicContact CG-CE2 4.05Å; R210-F372 HydrophobicContact CG-CZ 3.79Å; R210-F372 WeakPolarHBondContact O-CD1 3.49Å; I212-F372 HydrophobicContact CD1-CE1 4.22Å; I354-F372 HydrophobicContact CD1-CD1 4.38Å; I354-F372 HydrophobicContact CD1-CG 4.49Å; I354-F372 HydrophobicContact CG1-CD1 3.88Å; I354-F372 HydrophobicContact CG1-CD2 4.47Å; I354-F372 HydrophobicContact CG1-CE1 4.01Å; I354-F372 HydrophobicContact CG1-CG 4.15Å; I354-F372 HydrophobicContact CG1-CZ 4.4Å; I354-F372 HydrophobicContact CG2-CD2 4.18Å; I354-F372 HydrophobicContact CG2-CE2 4.33Å; F357-F372 HydrophobicContact CB-CE1 4.45Å; F357-F372 HydrophobicContact CB-CE2 3.75Å; F357-F372 HydrophobicContact CB-CZ 3.32Å; F357-F372 AromaticContact CD2-CE1 3.65Å; F357-F372 HydrophobicContact CD2-CE1 3.65Å; F357-F372 HydrophobicContact CD2-CE2 4.45Å; F357-F372 AromaticContact CD2-CZ 3.31Å; F357-F372 HydrophobicContact CD2-CZ 3.31Å; F357-F372 HydrophobicContact CE2-CE1 4.15Å; F357-F372 HydrophobicContact CE2-CZ 4.19Å; F357-F372 HydrophobicContact CG-CE1 4.29Å; F357-F372 HydrophobicContact CG-CE2 4.43Å; F357-F372 AromaticContact CG-CZ 3.52Å; F357-F372 HydrophobicContact CG-CZ 3.52Å; F372-D397 PolarHBondContact N-OD2 2.83Å; F372-D397 VanDerWaalsContact N-OD2 3.1Å; F372-D397 PolarHBondContact O-N 2.85Å; F372-D397 VanDerWaalsContact O-N 3.13Å; F372-N398 PolarHBondContact O-N 3.1Å
373A85.8Confident68.8Low1 Ų137.6 Ų37.61%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-108.7140.2174.300000110.6R210 S211 I212 E371 N398 F400 M412R210-A373 PolarHBondContact O-N 3.02Å; S211-A373 CarbonylContact C-O 3.49Å; S211-A373 VanDerWaalsContact CA-O 3.25Å; S211-A373 WeakPolarHBondContact CA-O 3.5Å; I212-A373 PolarHBondContact N-O 2.83Å; E371-A373 PolarHBondContact O-N 3.48Å; A373-N398 CarbonylContact C-O 3.58Å; A373-N398 WeakPolarHBondContact CA-O 3.43Å; A373-N398 HydrophobicContact CB-CB 4.2Å; A373-F400 HydrophobicContact CB-CD2 4.46Å; A373-F400 HydrophobicContact CB-CE2 4.21Å; A373-M412 HydrophobicContact CB-CE 4.13Å; A373-M412 HydrophobicContact CB-SD 4.19Å
374I92.1Very high71.2Confident0 Ų037.3 Ų37.30%020%0.204CC..EExtended strand (participates in β ladder)trans-123.5145.8166.568175.3000109.4I212 M214 L350 I376 L391 V396 N398 V399 F400I212-I374 HydrophobicContact CB-CG2 4.37Å; I212-I374 CarbonylContact O-C 3.57Å; I212-I374 VanDerWaalsContact O-CA 3.22Å; I212-I374 WeakPolarHBondContact O-CA 3.07Å; M214-I374 HydrophobicContact SD-CD1 4.49Å; L350-I374 HydrophobicContact CD1-CG2 3.86Å; L350-I374 HydrophobicContact CD2-CG2 4.25Å; I374-I376 HydrophobicContact CD1-CD1 3.92Å; I374-I376 HydrophobicContact CD1-CG1 3.99Å; I374-I376 HydrophobicContact CG1-CG1 4.34Å; I374-L391 HydrophobicContact CD1-CD1 3.33Å; I374-L391 HydrophobicContact CD1-CD2 4.05Å; I374-L391 HydrophobicContact CD1-CG 4.21Å; I374-V396 HydrophobicContact CB-CG1 4.4Å; I374-V396 HydrophobicContact CD1-CG1 3.98Å; I374-V396 HydrophobicContact CD1-CG2 4.41Å; I374-V396 HydrophobicContact CG1-CG1 3.85Å; I374-V396 HydrophobicContact CG2-CG1 3.85Å; I374-V396 HydrophobicContact CG2-CG2 3.8Å; I374-N398 PolarHBondContact N-O 2.81Å; I374-V399 HydrophobicContact CD1-CB 4.2Å; I374-V399 HydrophobicContact CD1-CG1 3.84Å; I374-V399 HydrophobicContact CD1-CG2 3.72Å; I374-V399 HydrophobicContact CG1-CB 4.06Å; I374-V399 HydrophobicContact CG1-CG1 3.92Å; I374-V399 HydrophobicContact CG1-CG2 3.9Å; I374-F400 WeakPolarHBondContact O-CB 3.43Å; I374-F400 PolarHBondContact O-N 3.47Å
375N93.5Very high73.4Confident0 Ų033.4 Ų33.40%018%0.183CC..EExtended strand (participates in β ladder)trans-119107.2171.1-168.411.1000109.4I212 M214 Y227 W377 F400 A403 L408I212-N375 PolarHBondContact O-N 2.96Å; M214-N375 PolarHBondContact N-O 2.75Å; Y227-N375 WeakPolarHBondContact CD2-ND2 3.46Å; Y227-N375 HydrophobicContact CE1-CB 4.34Å; Y227-N375 WeakPolarHBondContact CE2-ND2 3.17Å; N375-W377 PolarHBondContact ND2-NE1 3.32Å; N375-F400 WeakPolarHBondContact CA-O 3.33Å; N375-F400 HydrophobicContact CB-CB 4.33Å; N375-A403 PolarHBondContact ND2-O 3.31Å; N375-A403 PolarHBondContact OD1-N 2.89Å; N375-A403 VanDerWaalsContact OD1-N 3.13Å; N375-L408 HydrophobicContact CB-CD1 3.92Å
376I94.3Very high75.8Confident0 Ų038 Ų380%020%0.203CC..EExtended strand (participates in β ladder)trans-88.4121.6-180-59.4176.6000108.5Y216 I374 Q378 L387 L391 V399 F400 V401 N402Y216-I376 HydrophobicContact CD2-CG2 4.04Å; Y216-I376 HydrophobicContact CE2-CG2 3.92Å; I374-I376 HydrophobicContact CD1-CD1 3.92Å; I374-I376 HydrophobicContact CD1-CG1 3.99Å; I374-I376 HydrophobicContact CG1-CG1 4.34Å; I376-Q378 HydrophobicContact CG2-CB 3.8Å; I376-L387 HydrophobicContact CD1-CB 4.27Å; I376-L387 HydrophobicContact CD1-CD1 4.42Å; I376-L387 HydrophobicContact CG2-CD1 4.02Å; I376-L391 HydrophobicContact CD1-CD1 3.66Å; I376-V399 HydrophobicContact CD1-CG1 3.56Å; I376-V399 HydrophobicContact CG1-CG1 4.21Å; I376-F400 PolarHBondContact N-O 3.36Å; I376-V401 WeakPolarHBondContact O-CA 3.42Å; I376-N402 PolarHBondContact O-N 2.94Å; I376-N402 PolarHBondContact O-OD1 2.94Å
377W94Very high78.2Confident13 Ų1335.1 Ų35.15%0.04918%0.183CC..EExtended strand (participates in β ladder)trans-98.8102.3171.4-70.781.3000109.5M214 I215 Y216 S219 S223 A224 Y227 N375 N402 A403M214-W377 PolarHBondContact O-N 3.32Å; I215-W377 HydrophobicContact CD1-CB 3.76Å; I215-W377 HydrophobicContact CD1-CG 3.59Å; I215-W377 HydrophobicContact CG2-CB 4.29Å; Y216-W377 PolarHBondContact N-O 3.11Å; Y216-W377 VanDerWaalsContact N-O 3.13Å; S219-W377 WeakPolarHBondContact CB-O 3.37Å; S223-W377 VanDerWaalsContact CB-CZ3 3.43Å; S223-W377 WeakPolarHBondContact O-CH2 3.23Å; A224-W377 HydrophobicContact CB-CB 4.14Å; A224-W377 HydrophobicContact CB-CD2 3.54Å; A224-W377 HydrophobicContact CB-CE3 3.7Å; A224-W377 HydrophobicContact CB-CG 3.75Å; A224-W377 HydrophobicContact CB-CZ3 4.37Å; Y227-W377 HydrophobicContact CD1-CZ2 4.19Å; Y227-W377 AromaticContact CD1-NE1 3.55Å; Y227-W377 HydrophobicContact CD2-CZ2 4.16Å; Y227-W377 AromaticContact CG-CZ2 3.62Å; Y227-W377 HydrophobicContact CG-CZ2 3.62Å; Y227-W377 AromaticContact CG-NE1 3.89Å; N375-W377 PolarHBondContact ND2-NE1 3.32Å; W377-N402 VanDerWaalsContact CA-OD1 3.24Å; W377-N402 WeakPolarHBondContact CA-OD1 3.39Å; W377-N402 HydrophobicContact CE3-CB 4.31Å; W377-N402 HydrophobicContact CZ3-CB 4.3Å; W377-A403 VanDerWaalsContact CZ2-O 3.27Å; W377-A403 WeakPolarHBondContact CZ2-O 3.42Å
378Q91.6Very high80.7Confident3 Ų333.1 Ų33.11%0.01417%0.169CC..  trans-161.2134.4-173.217752.8-94.300109.7Y216 S218 I376 I383 V384 N402Y216-Q378 VanDerWaalsContact CB-NE2 3.26Å; Y216-Q378 HydrophobicContact CD2-CB 4.35Å; S218-Q378 PolarHBondContact OG-NE2 3.41Å; S218-Q378 PolarHBondContact OG-OE1 3Å; I376-Q378 HydrophobicContact CG2-CB 3.8Å; Q378-I383 HydrophobicContact CG-CB 4.09Å; Q378-I383 HydrophobicContact CG-CG2 4.05Å; Q378-V384 HydrophobicContact CB-CG2 3.8Å; Q378-V384 HydrophobicContact CG-CG2 3.61Å; Q378-N402 PolarHBondContact N-OD1 3.5Å; Q378-N402 PolarHBondContact O-ND2 3.39Å; Q378-N402 PolarHBondContact O-OD1 3.31Å
379T87.6Confident82.7Confident77 Ų7734.7 Ų34.747%0.47218%0.175SC..SBendtrans-97.5-22.9179.258.70000113.7S218 S381S218-T379 VanDerWaalsContact O-CG2 3.32Å; S218-T379 WeakPolarHBondContact O-CG2 3.43Å; S218-T379 PolarHBondContact O-OG1 3.16Å; T379-S381 PolarHBondContact O-N 3.46Å
380D86.7Confident84.4Confident61 Ų6135.7 Ų35.733%0.32618%0.175SC..  trans-80.9114.1177.8-174.2-35.6000110.5N382 I383 V384D380-N382 VanDerWaalsContact C-N 3.3Å; D380-N382 PolarHBondContact O-N 2.95Å; D380-N382 WeakPolarHBondContact OD1-CA 3.35Å; D380-N382 VanDerWaalsContact OD1-CB 3.31Å; D380-N382 WeakPolarHBondContact OD1-CB 3.3Å; D380-N382 PolarHBondContact OD1-N 3.12Å; D380-I383 HydrophobicContact CB-CB 4.2Å; D380-I383 HydrophobicContact CB-CD1 3.85Å; D380-I383 HydrophobicContact CB-CG1 3.95Å; D380-I383 PolarHBondContact O-N 3.18Å; D380-I383 PolarHBondContact OD1-N 3.48Å; D380-V384 WeakPolarHBondContact O-CG2 3.4Å; D380-V384 PolarHBondContact O-N 3.41Å; D380-V384 VanDerWaalsContact O-N 3.13Å
381S85.2Confident85.7Confident2 Ų233.9 Ų33.91%0.01417%0.168CC..Hα-helixtrans-64-33.6-177.658.50000113.2T379 I383 V384 W385 S655T379-S381 PolarHBondContact O-N 3.46Å; S381-I383 VanDerWaalsContact C-N 3.34Å; S381-V384 PolarHBondContact O-N 3.42Å; S381-W385 PolarHBondContact O-N 2.89Å; S381-S655 PolarHBondContact OG-OG 3.11Å; S381-S655 VanDerWaalsContact OG-OG 3.1Å
382N84.1Confident85.9Confident92 Ų9233.1 Ų33.149%0.49217%0.165SC..Hα-helixtrans-66.4-41.1179.6-66.1-45.6000110.7D380 V384 W385 Q386D380-N382 VanDerWaalsContact C-N 3.3Å; D380-N382 PolarHBondContact O-N 2.95Å; D380-N382 WeakPolarHBondContact OD1-CA 3.35Å; D380-N382 VanDerWaalsContact OD1-CB 3.31Å; D380-N382 WeakPolarHBondContact OD1-CB 3.3Å; D380-N382 PolarHBondContact OD1-N 3.12Å; N382-V384 VanDerWaalsContact C-N 3.35Å; N382-W385 PolarHBondContact O-N 2.83Å; N382-Q386 WeakPolarHBondContact O-CB 3.45Å; N382-Q386 VanDerWaalsContact O-CG 3.27Å; N382-Q386 WeakPolarHBondContact O-CG 3.43Å; N382-Q386 PolarHBondContact O-N 3.12Å
383I85Confident85.5Confident46 Ų4635.2 Ų35.224%0.23618%0.176CC..Hα-helixtrans-64-43.1175.2-60.6179.5000110Q378 D380 S381 W385 Q386 L387Q378-I383 HydrophobicContact CG-CB 4.09Å; Q378-I383 HydrophobicContact CG-CG2 4.05Å; D380-I383 HydrophobicContact CB-CB 4.2Å; D380-I383 HydrophobicContact CB-CD1 3.85Å; D380-I383 HydrophobicContact CB-CG1 3.95Å; D380-I383 PolarHBondContact O-N 3.18Å; D380-I383 PolarHBondContact OD1-N 3.48Å; S381-I383 VanDerWaalsContact C-N 3.34Å; I383-W385 PolarHBondContact O-N 3.43Å; I383-Q386 PolarHBondContact O-N 3.44Å; I383-L387 HydrophobicContact CG2-CD1 3.82Å; I383-L387 HydrophobicContact CG2-CG 4.18Å; I383-L387 WeakPolarHBondContact O-CB 3.17Å; I383-L387 VanDerWaalsContact O-CG 3.23Å; I383-L387 WeakPolarHBondContact O-CG 3.44Å; I383-L387 PolarHBondContact O-N 3.47Å
384V88.6Confident84.7Confident0 Ų035.5 Ų35.50%018%0.178CC..Hα-helixtrans-59.8-45.2176.7176.10000111.6Q378 D380 S381 N382 L387 F388 V401 W647Q378-V384 HydrophobicContact CB-CG2 3.8Å; Q378-V384 HydrophobicContact CG-CG2 3.61Å; D380-V384 WeakPolarHBondContact O-CG2 3.4Å; D380-V384 PolarHBondContact O-N 3.41Å; D380-V384 VanDerWaalsContact O-N 3.13Å; S381-V384 PolarHBondContact O-N 3.42Å; N382-V384 VanDerWaalsContact C-N 3.35Å; V384-L387 PolarHBondContact O-N 3.17Å; V384-F388 WeakPolarHBondContact O-CB 3.37Å; V384-F388 PolarHBondContact O-N 3.5Å; V384-V401 HydrophobicContact CG1-CG1 4.26Å; V384-V401 HydrophobicContact CG1-CG2 3.53Å; V384-V401 HydrophobicContact CG2-CG1 4.02Å; V384-W647 HydrophobicContact CB-CH2 3.67Å; V384-W647 HydrophobicContact CB-CZ3 3.87Å; V384-W647 HydrophobicContact CG1-CE3 4.02Å; V384-W647 HydrophobicContact CG1-CH2 3.64Å; V384-W647 HydrophobicContact CG1-CZ3 3.31Å; V384-W647 HydrophobicContact CG2-CH2 4.13Å
385W84.7Confident83.5Confident53 Ų5336.4 Ų36.420%0.20119%0.188CC..Hα-helixtrans-64.6-42.1177.8-77.2117.3000112.4S381 N382 I383 F388 Q389 L501 H517 L645 V653S381-W385 PolarHBondContact O-N 2.89Å; N382-W385 PolarHBondContact O-N 2.83Å; I383-W385 PolarHBondContact O-N 3.43Å; W385-F388 HydrophobicContact CE3-CD1 4.19Å; W385-F388 HydrophobicContact CZ3-CD1 4.19Å; W385-F388 PolarHBondContact O-N 3.42Å; W385-Q389 WeakPolarHBondContact O-CG 3.25Å; W385-Q389 PolarHBondContact O-N 2.74Å; W385-L501 HydrophobicContact CH2-CD2 4.33Å; W385-H517 HydrophobicContact CH2-CB 3.91Å; W385-H517 HydrophobicContact CZ3-CB 4.09Å; W385-L645 HydrophobicContact CE3-CD2 4.05Å; W385-L645 HydrophobicContact CH2-CD2 3.77Å; W385-L645 HydrophobicContact CZ2-CD2 4.33Å; W385-L645 HydrophobicContact CZ3-CD2 3.6Å; W385-V653 HydrophobicContact CZ2-CG1 4.46Å
386Q84.5Confident82.8Confident129 Ų12936.4 Ų36.460%0.60319%0.188SC*.Hα-helixtrans-62.4-44.6175.1-72.8174.47.900111.6N382 I383 Q389 M390N382-Q386 WeakPolarHBondContact O-CB 3.45Å; N382-Q386 VanDerWaalsContact O-CG 3.27Å; N382-Q386 WeakPolarHBondContact O-CG 3.43Å; N382-Q386 PolarHBondContact O-N 3.12Å; I383-Q386 PolarHBondContact O-N 3.44Å; Q386-Q389 PolarHBondContact O-N 3.12Å; Q386-M390 WeakPolarHBondContact O-CG 3.45Å; Q386-M390 PolarHBondContact O-N 3.35Å
387L87.4Confident82Confident0 Ų037.2 Ų37.20%019%0.192CC..Hα-helixtrans-58.9-50.3174.2-75.6170.7000110.6Y216 V343 I376 I383 V384 Q389 M390 L391Y216-L387 HydrophobicContact CD2-CD1 4.1Å; Y216-L387 HydrophobicContact CE1-CD1 4.25Å; Y216-L387 HydrophobicContact CE1-CD2 4.35Å; Y216-L387 HydrophobicContact CE2-CD1 3.45Å; Y216-L387 VanDerWaalsContact CE2-CD1 3.45Å; Y216-L387 HydrophobicContact CE2-CD2 4.44Å; Y216-L387 WeakPolarHBondContact OH-CD2 3.42Å; V343-L387 HydrophobicContact CB-CD2 4.44Å; V343-L387 HydrophobicContact CG1-CD2 3.42Å; V343-L387 VanDerWaalsContact CG1-CD2 3.42Å; V343-L387 HydrophobicContact CG1-CG 4.43Å; V343-L387 HydrophobicContact CG2-CD2 4.39Å; I376-L387 HydrophobicContact CD1-CB 4.27Å; I376-L387 HydrophobicContact CD1-CD1 4.42Å; I376-L387 HydrophobicContact CG2-CD1 4.02Å; I383-L387 HydrophobicContact CG2-CD1 3.82Å; I383-L387 HydrophobicContact CG2-CG 4.18Å; I383-L387 WeakPolarHBondContact O-CB 3.17Å; I383-L387 VanDerWaalsContact O-CG 3.23Å; I383-L387 WeakPolarHBondContact O-CG 3.44Å; I383-L387 PolarHBondContact O-N 3.47Å; V384-L387 PolarHBondContact O-N 3.17Å; L387-Q389 VanDerWaalsContact C-N 3.27Å; L387-Q389 PolarHBondContact O-N 2.79Å; L387-M390 WeakPolarHBondContact O-CA 3.42Å; L387-M390 WeakPolarHBondContact O-CB 3.1Å; L387-M390 PolarHBondContact O-N 2.86Å; L387-L391 HydrophobicContact CB-CD1 4.18Å; L387-L391 WeakPolarHBondContact O-CB 3.37Å; L387-L391 VanDerWaalsContact O-CD1 3.31Å; L387-L391 WeakPolarHBondContact O-CD1 3.04Å; L387-L391 WeakPolarHBondContact O-CG 3.36Å; L387-L391 PolarHBondContact O-N 2.75Å
388F86.3Confident81.5Confident1 Ų136.6 Ų36.60%0.00419%0.19CC..Hα-helixtrans-53-46.9179.2178.4-108.9000111.3V384 W385 M390 L391 L392 V399 H517 V643 L645V384-F388 WeakPolarHBondContact O-CB 3.37Å; V384-F388 PolarHBondContact O-N 3.5Å; W385-F388 HydrophobicContact CE3-CD1 4.19Å; W385-F388 HydrophobicContact CZ3-CD1 4.19Å; W385-F388 PolarHBondContact O-N 3.42Å; F388-M390 PolarHBondContact O-N 3.42Å; F388-L391 PolarHBondContact O-N 3.04Å; F388-L392 HydrophobicContact CE1-CD2 4.06Å; F388-L392 HydrophobicContact CE2-CD2 4.17Å; F388-L392 HydrophobicContact CZ-CD2 3.78Å; F388-L392 WeakPolarHBondContact O-CG 3.17Å; F388-L392 PolarHBondContact O-N 2.82Å; F388-V399 HydrophobicContact CD2-CB 4.22Å; F388-V399 HydrophobicContact CD2-CG1 4.47Å; F388-V399 HydrophobicContact CD2-CG2 3.99Å; F388-V399 HydrophobicContact CE2-CG2 4.23Å; F388-H517 AromaticContact CE1-CD2 3.54Å; F388-H517 AromaticContact CZ-CD2 3.84Å; F388-V643 HydrophobicContact CE2-CG1 3.89Å; F388-V643 HydrophobicContact CZ-CG1 4.33Å; F388-L645 HydrophobicContact CD2-CB 4Å; F388-L645 HydrophobicContact CD2-CD1 3.99Å; F388-L645 HydrophobicContact CD2-CD2 4.35Å; F388-L645 HydrophobicContact CD2-CG 4.35Å; F388-L645 HydrophobicContact CE2-CB 3.75Å; F388-L645 HydrophobicContact CG-CD1 4.47Å; F388-L645 HydrophobicContact CG-CD2 4.22Å; F388-L645 HydrophobicContact CZ-CB 4.16Å
389Q80.6Confident81.5Confident112 Ų11236.5 Ų36.552%0.52319%0.189SC..Hα-helixtrans-60.8-42.2175.9-67.6-62-33.200112.9W385 Q386 L387 L391W385-Q389 WeakPolarHBondContact O-CG 3.25Å; W385-Q389 PolarHBondContact O-N 2.74Å; Q386-Q389 PolarHBondContact O-N 3.12Å; L387-Q389 VanDerWaalsContact C-N 3.27Å; L387-Q389 PolarHBondContact O-N 2.79Å; Q389-L391 VanDerWaalsContact C-N 3.28Å; Q389-L391 PolarHBondContact O-N 3.41Å
390M80.8Confident81.7Confident70 Ų7032.9 Ų32.935%0.34517%0.167SC..Hα-helixtrans-66.2-31.9176.7-68.6-179.768.500112.7V343 K344 V347 Q386 L387 F388V343-M390 HydrophobicContact CG1-CE 4.16Å; V343-M390 HydrophobicContact CG1-SD 3.71Å; K344-M390 HydrophobicContact CG-CE 4.04Å; V347-M390 HydrophobicContact CB-CE 4.34Å; V347-M390 HydrophobicContact CG2-CB 4.22Å; V347-M390 HydrophobicContact CG2-CE 4.01Å; Q386-M390 WeakPolarHBondContact O-CG 3.45Å; Q386-M390 PolarHBondContact O-N 3.35Å; L387-M390 WeakPolarHBondContact O-CA 3.42Å; L387-M390 WeakPolarHBondContact O-CB 3.1Å; L387-M390 PolarHBondContact O-N 2.86Å; F388-M390 PolarHBondContact O-N 3.42Å
391L81.2Confident81.9Confident2 Ų230 Ų301%0.0115%0.151CC..Hα-helixtrans-82-17.4-174.8-68.7164.6000113.9V347 L350 I374 I376 L387 F388 Q389 L393 S394V347-L391 HydrophobicContact CG2-CD2 4.29Å; L350-L391 HydrophobicContact CD2-CD2 3.08Å; I374-L391 HydrophobicContact CD1-CD1 3.33Å; I374-L391 HydrophobicContact CD1-CD2 4.05Å; I374-L391 HydrophobicContact CD1-CG 4.21Å; I376-L391 HydrophobicContact CD1-CD1 3.66Å; L387-L391 HydrophobicContact CB-CD1 4.18Å; L387-L391 WeakPolarHBondContact O-CB 3.37Å; L387-L391 VanDerWaalsContact O-CD1 3.31Å; L387-L391 WeakPolarHBondContact O-CD1 3.04Å; L387-L391 WeakPolarHBondContact O-CG 3.36Å; L387-L391 PolarHBondContact O-N 2.75Å; F388-L391 PolarHBondContact O-N 3.04Å; Q389-L391 VanDerWaalsContact C-N 3.28Å; Q389-L391 PolarHBondContact O-N 3.41Å; L391-L393 PolarHBondContact O-N 3.05Å; L391-S394 PolarHBondContact O-N 2.99Å
392L73.2Confident82.3Confident30 Ų3030.7 Ų30.716%0.15716%0.155CC..THydrogen-bonded Turntrans-53-27177.2-68.9178.8000112.8F388 C519 K521 V643F388-L392 HydrophobicContact CE1-CD2 4.06Å; F388-L392 HydrophobicContact CE2-CD2 4.17Å; F388-L392 HydrophobicContact CZ-CD2 3.78Å; F388-L392 WeakPolarHBondContact O-CG 3.17Å; F388-L392 PolarHBondContact O-N 2.82Å; L392-C519 WeakPolarHBondContact CD2-SG 3.27Å; L392-K521 WeakPolarHBondContact O-CD 3.35Å; L392-V643 HydrophobicContact CD2-CB 4.05Å; L392-V643 HydrophobicContact CD2-CG1 4.02Å; L392-V643 HydrophobicContact CD2-CG2 4.16Å
393L67.6Low82.6Confident47 Ų4726.3 Ų26.325%0.24613%0.132CC..THydrogen-bonded Turntrans-97.6-16.9-178.1-55.4-171.9000114.1L391 G395 R450 A454 M457L391-L393 PolarHBondContact O-N 3.05Å; L393-G395 PolarHBondContact O-N 2.93Å; L393-G395 VanDerWaalsContact O-N 3.08Å; L393-R450 PolarHBondContact O-NH2 3.14Å; L393-A454 HydrophobicContact CD1-CB 3.92Å; L393-M457 HydrophobicContact CD2-CB 4.35Å; L393-M457 HydrophobicContact CD2-CE 3Å; L393-M457 HydrophobicContact CD2-SD 3.48Å; L393-M457 WeakPolarHBondContact CD2-SD 3.45Å; L393-M457 HydrophobicContact CG-CE 4.41Å
394S69.1Low82.8Confident7 Ų726.2 Ų26.25%0.04914%0.135CC..THydrogen-bonded Turntrans-76.47.7-171.9-60.60000114.2V347 T351 I354 L391 V396V347-S394 WeakPolarHBondContact CG1-OG 2.94Å; T351-S394 PolarHBondContact OG1-OG 3.07Å; I354-S394 WeakPolarHBondContact CD1-O 3.49Å; L391-S394 PolarHBondContact O-N 2.99Å; S394-V396 VanDerWaalsContact C-N 3.28Å; S394-V396 PolarHBondContact O-N 3.05Å
395G68.2Low82.7Confident19 Ų1926.5 Ų26.520%0.19614%0.137CC..THydrogen-bonded Turntrans80.53.7-177.700000114.5L393 K521L393-G395 PolarHBondContact O-N 2.93Å; L393-G395 VanDerWaalsContact O-N 3.08Å; G395-K521 VanDerWaalsContact C-NZ 3.33Å; G395-K521 PolarHBondContact O-NZ 3.06Å
396V78Confident82.9Confident0 Ų028 Ų280%014%0.143CC..  trans-77134.5177.8-178.50000111.8L350 I354 I374 S394 N398 V399 K521L350-V396 HydrophobicContact CD2-CG2 3.78Å; L350-V396 HydrophobicContact CG-CG2 4.48Å; I354-V396 HydrophobicContact CD1-CG2 3.44Å; I354-V396 VanDerWaalsContact CD1-CG2 3.44Å; I374-V396 HydrophobicContact CB-CG1 4.4Å; I374-V396 HydrophobicContact CD1-CG1 3.98Å; I374-V396 HydrophobicContact CD1-CG2 4.41Å; I374-V396 HydrophobicContact CG1-CG1 3.85Å; I374-V396 HydrophobicContact CG2-CG1 3.85Å; I374-V396 HydrophobicContact CG2-CG2 3.8Å; S394-V396 VanDerWaalsContact C-N 3.28Å; S394-V396 PolarHBondContact O-N 3.05Å; V396-N398 WeakPolarHBondContact CG1-O 3.2Å; V396-V399 HydrophobicContact CG1-CG2 3.85Å; V396-K521 VanDerWaalsContact C-NZ 3.26Å; V396-K521 PolarHBondContact O-NZ 3.04Å
397D77.6Confident83.1Confident18 Ų1823.9 Ų23.910%0.09612%0.123CC..  trans-104.7-34-179.5-51.3-48.6000111.7E371 F372 K521 V643 T644E371-D397 WeakPolarHBondContact CA-OD2 3.39Å; E371-D397 HydrophobicContact CB-CB 3.98Å; E371-D397 HydrophobicContact CG-CB 4.28Å; F372-D397 PolarHBondContact N-OD2 2.83Å; F372-D397 VanDerWaalsContact N-OD2 3.1Å; F372-D397 PolarHBondContact O-N 2.85Å; F372-D397 VanDerWaalsContact O-N 3.13Å; D397-K521 WeakPolarHBondContact OD1-CE 3.28Å; D397-K521 IonicContact OD1-NZ 2.88Å; D397-K521 PolarHBondContact OD1-NZ 2.95Å; D397-V643 WeakPolarHBondContact O-CA 3.22Å; D397-T644 PolarHBondContact O-N 3.1Å
398N84.6Confident83.2Confident0 Ų023.9 Ų23.90%012%0.123CC..EExtended strand (participates in β ladder)trans-123.8119.1-178-63.4-72.9000111.3E371 F372 A373 I374 V396 F400 M412 R415 Y646E371-N398 WeakPolarHBondContact CB-ND2 3.28Å; E371-N398 PolarHBondContact OE2-ND2 2.85Å; F372-N398 PolarHBondContact O-N 3.1Å; A373-N398 CarbonylContact C-O 3.58Å; A373-N398 WeakPolarHBondContact CA-O 3.43Å; A373-N398 HydrophobicContact CB-CB 4.2Å; I374-N398 PolarHBondContact N-O 2.81Å; V396-N398 WeakPolarHBondContact CG1-O 3.2Å; N398-F400 HydrophobicContact CB-CD2 4.39Å; N398-F400 HydrophobicContact CB-CE2 3.78Å; N398-M412 HydrophobicContact CB-SD 3.97Å; N398-R415 WeakPolarHBondContact OD1-CD 3.17Å; N398-R415 PolarHBondContact OD1-NE 3.05Å; N398-R415 PolarHBondContact OD1-NH1 2.79Å; N398-R415 PolarHBondContact OD1-NH2 2.85Å; N398-Y646 HydrophobicContact CB-CE2 4.45Å; N398-Y646 WeakPolarHBondContact OD1-CE2 3.32Å
399V90.2Very high83.3Confident1 Ų123.9 Ų23.91%0.00612%0.124CC..EExtended strand (participates in β ladder)trans-110.5113.6174.9-177.30000109.1I374 I376 F388 V396 T644 L645 Y646I374-V399 HydrophobicContact CD1-CB 4.2Å; I374-V399 HydrophobicContact CD1-CG1 3.84Å; I374-V399 HydrophobicContact CD1-CG2 3.72Å; I374-V399 HydrophobicContact CG1-CB 4.06Å; I374-V399 HydrophobicContact CG1-CG1 3.92Å; I374-V399 HydrophobicContact CG1-CG2 3.9Å; I376-V399 HydrophobicContact CD1-CG1 3.56Å; I376-V399 HydrophobicContact CG1-CG1 4.21Å; F388-V399 HydrophobicContact CD2-CB 4.22Å; F388-V399 HydrophobicContact CD2-CG1 4.47Å; F388-V399 HydrophobicContact CD2-CG2 3.99Å; F388-V399 HydrophobicContact CE2-CG2 4.23Å; V396-V399 HydrophobicContact CG1-CG2 3.85Å; V399-T644 PolarHBondContact N-O 3.41Å; V399-L645 HydrophobicContact CB-CD1 3.87Å; V399-L645 HydrophobicContact CG1-CD1 3.55Å; V399-L645 CarbonylContact O-C 3.47Å; V399-L645 WeakPolarHBondContact O-CA 3.18Å; V399-Y646 PolarHBondContact O-N 2.97Å
400F91.4Very high83.7Confident0 Ų018.5 Ų18.50%010%0.099CC..EExtended strand (participates in β ladder)trans-99.1145172.3-66.3-89.8000110.3A373 I374 N375 I376 N398 A403 L408 T411 M412 I513 Y646A373-F400 HydrophobicContact CB-CD2 4.46Å; A373-F400 HydrophobicContact CB-CE2 4.21Å; I374-F400 WeakPolarHBondContact O-CB 3.43Å; I374-F400 PolarHBondContact O-N 3.47Å; N375-F400 WeakPolarHBondContact CA-O 3.33Å; N375-F400 HydrophobicContact CB-CB 4.33Å; I376-F400 PolarHBondContact N-O 3.36Å; N398-F400 HydrophobicContact CB-CD2 4.39Å; N398-F400 HydrophobicContact CB-CE2 3.78Å; F400-A403 HydrophobicContact CB-CB 3.82Å; F400-A403 HydrophobicContact CD1-CB 4.11Å; F400-A403 HydrophobicContact CG-CB 4.28Å; F400-L408 HydrophobicContact CB-CD1 4.3Å; F400-L408 HydrophobicContact CD1-CG 4.42Å; F400-L408 HydrophobicContact CD2-CD1 3.77Å; F400-L408 HydrophobicContact CD2-CG 3.95Å; F400-L408 HydrophobicContact CE1-CG 4.42Å; F400-L408 HydrophobicContact CE2-CD1 4.26Å; F400-L408 HydrophobicContact CE2-CG 3.95Å; F400-L408 HydrophobicContact CG-CD1 3.98Å; F400-L408 HydrophobicContact CG-CG 4.18Å; F400-L408 HydrophobicContact CZ-CG 4.2Å; F400-T411 HydrophobicContact CE1-CG2 3.75Å; F400-T411 HydrophobicContact CZ-CG2 4.02Å; F400-M412 HydrophobicContact CE2-CG 3.97Å; F400-M412 HydrophobicContact CE2-SD 3.68Å; F400-M412 HydrophobicContact CZ-CG 3.85Å; F400-M412 HydrophobicContact CZ-SD 3.8Å; F400-I513 HydrophobicContact CD1-CD1 3.75Å; F400-I513 HydrophobicContact CE1-CD1 4.22Å; F400-Y646 CarbonylContact C-O 3.58Å; F400-Y646 WeakPolarHBondContact CA-O 3.11Å; F400-Y646 VanDerWaalsContact CD1-CB 3.46Å; F400-Y646 AromaticContact CD1-CD2 3.99Å; F400-Y646 HydrophobicContact CD1-CD2 3.99Å; F400-Y646 AromaticContact CD1-CG 3.87Å; F400-Y646 HydrophobicContact CD1-CG 3.87Å; F400-Y646 HydrophobicContact CD2-CD2 4.5Å; F400-Y646 HydrophobicContact CE1-CD1 4.25Å; F400-Y646 AromaticContact CE1-CD2 3.59Å; F400-Y646 HydrophobicContact CE1-CD2 3.59Å; F400-Y646 HydrophobicContact CE1-CE2 4.2Å; F400-Y646 AromaticContact CE1-CG 3.6Å; F400-Y646 HydrophobicContact CE1-CG 3.6Å; F400-Y646 HydrophobicContact CE2-CD2 4.14Å; F400-Y646 HydrophobicContact CG-CD2 4.43Å; F400-Y646 AromaticContact CZ-CD2 3.67Å; F400-Y646 HydrophobicContact CZ-CD2 3.67Å; F400-Y646 AromaticContact CZ-CE2 3.94Å; F400-Y646 HydrophobicContact CZ-CE2 3.94Å; F400-Y646 HydrophobicContact CZ-CG 4.17Å
401V92.2Very high84Confident0 Ų015.4 Ų15.40%08%0.084CC..EExtended strand (participates in β ladder)trans-120.4117176.2-175.60000108.7I376 V384 A403 L645 Y646 W647 S648I376-V401 WeakPolarHBondContact O-CA 3.42Å; V384-V401 HydrophobicContact CG1-CG1 4.26Å; V384-V401 HydrophobicContact CG1-CG2 3.53Å; V384-V401 HydrophobicContact CG2-CG1 4.02Å; V401-A403 VanDerWaalsContact C-N 3.26Å; V401-A403 PolarHBondContact O-N 3.42Å; V401-L645 HydrophobicContact CG2-CD1 3.69Å; V401-Y646 PolarHBondContact N-O 2.75Å; V401-W647 HydrophobicContact CB-CD2 4.26Å; V401-W647 HydrophobicContact CB-CG 4.37Å; V401-W647 HydrophobicContact CG1-CD2 4.27Å; V401-W647 HydrophobicContact CG2-CD2 4.3Å; V401-W647 HydrophobicContact CG2-CE3 4.06Å; V401-S648 WeakPolarHBondContact O-CB 3.41Å; V401-S648 PolarHBondContact O-N 3.13Å
402N92.2Very high84.1Confident18 Ų1815.9 Ų15.910%0.0969%0.086CC..SBendtrans51.143.2179-54.3-45.1000113I376 W377 Q378 S648 C651I376-N402 PolarHBondContact O-N 2.94Å; I376-N402 PolarHBondContact O-OD1 2.94Å; W377-N402 VanDerWaalsContact CA-OD1 3.24Å; W377-N402 WeakPolarHBondContact CA-OD1 3.39Å; W377-N402 HydrophobicContact CE3-CB 4.31Å; W377-N402 HydrophobicContact CZ3-CB 4.3Å; Q378-N402 PolarHBondContact N-OD1 3.5Å; Q378-N402 PolarHBondContact O-ND2 3.39Å; Q378-N402 PolarHBondContact O-OD1 3.31Å; N402-S648 VanDerWaalsContact O-CB 3.31Å; N402-S648 WeakPolarHBondContact O-CB 3.36Å; N402-S648 PolarHBondContact O-OG 3.21Å; N402-C651 PolarHBondContact ND2-SG 3.45Å
403A90.4Very high84.6Confident0 Ų014.5 Ų14.50%08%0.079CC..  trans-83.8135.2179.400000111.4Y227 N375 W377 F400 V401 L408 I513Y227-A403 WeakPolarHBondContact CD2-O 3.45Å; N375-A403 PolarHBondContact ND2-O 3.31Å; N375-A403 PolarHBondContact OD1-N 2.89Å; N375-A403 VanDerWaalsContact OD1-N 3.13Å; W377-A403 VanDerWaalsContact CZ2-O 3.27Å; W377-A403 WeakPolarHBondContact CZ2-O 3.42Å; F400-A403 HydrophobicContact CB-CB 3.82Å; F400-A403 HydrophobicContact CD1-CB 4.11Å; F400-A403 HydrophobicContact CG-CB 4.28Å; V401-A403 VanDerWaalsContact C-N 3.26Å; V401-A403 PolarHBondContact O-N 3.42Å; A403-L408 HydrophobicContact CB-CB 4.21Å; A403-I513 HydrophobicContact CB-CD1 3.22Å
404S89.4Confident85.3Confident43 Ų4312.4 Ų12.430%0.3017%0.068SC..  trans-71163.216568.20000111.4R406 Q407 L408S404-R406 VanDerWaalsContact C-N 3.3Å; S404-R406 PolarHBondContact O-N 2.8Å; S404-Q407 VanDerWaalsContact N-OE1 3.09Å; S404-Q407 PolarHBondContact O-N 3.38Å; S404-Q407 WeakPolarHBondContact OG-CB 3.39Å; S404-Q407 WeakPolarHBondContact OG-CG 3.35Å; S404-Q407 PolarHBondContact OG-N 2.94Å; S404-Q407 PolarHBondContact OG-OE1 3.36Å; S404-L408 WeakPolarHBondContact O-CB 3.06Å; S404-L408 PolarHBondContact O-N 3.03Å
405S87.9Confident85.6Confident7 Ų712.5 Ų12.55%0.0497%0.067CC..Hα-helixtrans-61.3-41.1-177.158.90000111.7N234 A409N234-S405 PolarHBondContact ND2-OG 2.92Å; N234-S405 VanDerWaalsContact ND2-OG 3.11Å; S405-A409 VanDerWaalsContact O-CB 3.3Å; S405-A409 WeakPolarHBondContact O-CB 3.03Å; S405-A409 PolarHBondContact O-N 3.22Å
406R88.3Confident85.8Confident83 Ų8312.8 Ų12.831%0.3136%0.064SC..Hα-helixtrans-61.1-50.3176.2-70.2170.1167.590.32.6111.8F100 E103 S404 A409 A410 L511F100-R406 HydrophobicContact CD2-CG 3.94Å; F100-R406 HydrophobicContact CE2-CG 4.43Å; E103-R406 WeakPolarHBondContact OE2-CD 3.49Å; E103-R406 IonicContact OE2-NE 3.86Å; E103-R406 PolarHBondContact OE2-NE 3.2Å; S404-R406 VanDerWaalsContact C-N 3.3Å; S404-R406 PolarHBondContact O-N 2.8Å; R406-A409 PolarHBondContact O-N 2.92Å; R406-A410 WeakPolarHBondContact O-CB 3.13Å; R406-A410 PolarHBondContact O-N 3.42Å; R406-L511 HydrophobicContact CB-CD1 3.86Å; R406-L511 HydrophobicContact CB-CD2 3.94Å; R406-L511 HydrophobicContact CB-CG 4.32Å
407Q89.1Confident85.5Confident43 Ų4313.3 Ų13.320%0.2017%0.066CC..Hα-helixtrans-64.1-42.8-179-69.8174.8-59.200112.2S404 T411 L511 I513S404-Q407 VanDerWaalsContact N-OE1 3.09Å; S404-Q407 PolarHBondContact O-N 3.38Å; S404-Q407 WeakPolarHBondContact OG-CB 3.39Å; S404-Q407 WeakPolarHBondContact OG-CG 3.35Å; S404-Q407 PolarHBondContact OG-N 2.94Å; S404-Q407 PolarHBondContact OG-OE1 3.36Å; Q407-T411 VanDerWaalsContact O-CB 3.28Å; Q407-T411 WeakPolarHBondContact O-CB 3.31Å; Q407-T411 PolarHBondContact O-N 3.31Å; Q407-T411 PolarHBondContact O-OG1 3.15Å; Q407-L511 WeakPolarHBondContact CA-O 3.17Å; Q407-L511 WeakPolarHBondContact CB-O 3.46Å; Q407-L511 HydrophobicContact CG-CD1 3.74Å; Q407-L511 HydrophobicContact CG-CG 4.32Å; Q407-L511 VanDerWaalsContact CG-O 3.31Å; Q407-L511 WeakPolarHBondContact CG-O 3.41Å; Q407-I513 HydrophobicContact CB-CD1 3.62Å; Q407-I513 HydrophobicContact CB-CG1 3.68Å; Q407-I513 HydrophobicContact CG-CG1 4.37Å
408L89Confident84.7Confident0 Ų017.3 Ų17.30%09%0.085CC..Hα-helixtrans-62.3-48.5176.2-174152.9000110.6Y227 G241 N375 F400 A403 S404 T411 M412Y227-L408 HydrophobicContact CE2-CD1 4.36Å; G241-L408 VanDerWaalsContact CA-CD2 3.5Å; N375-L408 HydrophobicContact CB-CD1 3.92Å; F400-L408 HydrophobicContact CB-CD1 4.3Å; F400-L408 HydrophobicContact CD1-CG 4.42Å; F400-L408 HydrophobicContact CD2-CD1 3.77Å; F400-L408 HydrophobicContact CD2-CG 3.95Å; F400-L408 HydrophobicContact CE1-CG 4.42Å; F400-L408 HydrophobicContact CE2-CD1 4.26Å; F400-L408 HydrophobicContact CE2-CG 3.95Å; F400-L408 HydrophobicContact CG-CD1 3.98Å; F400-L408 HydrophobicContact CG-CG 4.18Å; F400-L408 HydrophobicContact CZ-CG 4.2Å; A403-L408 HydrophobicContact CB-CB 4.21Å; S404-L408 WeakPolarHBondContact O-CB 3.06Å; S404-L408 PolarHBondContact O-N 3.03Å; L408-T411 PolarHBondContact O-N 3.4Å; L408-M412 HydrophobicContact CD2-CG 4.05Å; L408-M412 WeakPolarHBondContact O-CB 3.21Å; L408-M412 VanDerWaalsContact O-CG 3.27Å; L408-M412 WeakPolarHBondContact O-CG 3.49Å; L408-M412 PolarHBondContact O-N 3.05Å
409A87.7Confident83Confident1 Ų118.6 Ų18.61%0.0089%0.091CC..Hα-helixtrans-59.5-53.4178.100000111.9F100 V104 S405 R406 T411 M412 Y413F100-A409 HydrophobicContact CE2-CB 3.86Å; F100-A409 HydrophobicContact CZ-CB 3.64Å; V104-A409 HydrophobicContact CG2-CB 4.26Å; S405-A409 VanDerWaalsContact O-CB 3.3Å; S405-A409 WeakPolarHBondContact O-CB 3.03Å; S405-A409 PolarHBondContact O-N 3.22Å; R406-A409 PolarHBondContact O-N 2.92Å; A409-T411 VanDerWaalsContact C-N 3.32Å; A409-T411 PolarHBondContact O-N 3.2Å; A409-M412 PolarHBondContact O-N 2.84Å; A409-Y413 HydrophobicContact CB-CD2 4.25Å; A409-Y413 HydrophobicContact CB-CE2 4.05Å; A409-Y413 WeakPolarHBondContact O-CD2 3.46Å; A409-Y413 PolarHBondContact O-N 3.37Å
410A89.1Confident80.8Confident0 Ų021.7 Ų21.70%011%0.108CC..Hα-helixtrans-57-44.9178.700000112.1V104 E107 R406 T414 L511 L512V104-A410 HydrophobicContact CG2-CB 4.4Å; E107-A410 HydrophobicContact CB-CB 4.35Å; E107-A410 HydrophobicContact CG-CB 4.18Å; R406-A410 WeakPolarHBondContact O-CB 3.13Å; R406-A410 PolarHBondContact O-N 3.42Å; A410-T414 WeakPolarHBondContact O-CB 3.47Å; A410-T414 VanDerWaalsContact O-CG2 3.28Å; A410-T414 WeakPolarHBondContact O-CG2 3.39Å; A410-T414 PolarHBondContact O-N 2.88Å; A410-T414 PolarHBondContact O-OG1 3.39Å; A410-L511 HydrophobicContact CB-CB 4.25Å; A410-L511 HydrophobicContact CB-CD2 3.65Å; A410-L511 HydrophobicContact CB-CG 3.91Å; A410-L512 HydrophobicContact CB-CD2 4.02Å
411T87Confident78Confident5 Ų523 Ų233%0.03112%0.121CC..Hα-helixtrans-61.7-49.9176.5-530000111.2F400 Q407 L408 A409 Y413 T414 R415 I513 Y646F400-T411 HydrophobicContact CE1-CG2 3.75Å; F400-T411 HydrophobicContact CZ-CG2 4.02Å; Q407-T411 VanDerWaalsContact O-CB 3.28Å; Q407-T411 WeakPolarHBondContact O-CB 3.31Å; Q407-T411 PolarHBondContact O-N 3.31Å; Q407-T411 PolarHBondContact O-OG1 3.15Å; L408-T411 PolarHBondContact O-N 3.4Å; A409-T411 VanDerWaalsContact C-N 3.32Å; A409-T411 PolarHBondContact O-N 3.2Å; T411-Y413 PolarHBondContact O-N 3.03Å; T411-T414 PolarHBondContact O-OG1 3.47Å; T411-T414 VanDerWaalsContact O-OG1 3.11Å; T411-R415 WeakPolarHBondContact O-CB 3.07Å; T411-R415 PolarHBondContact O-N 3.47Å; T411-I513 PolarHBondContact OG1-N 3.03Å; T411-I513 VanDerWaalsContact OG1-N 3.11Å; T411-Y646 HydrophobicContact CG2-CD1 3.77Å; T411-Y646 HydrophobicContact CG2-CE1 3.37Å; T411-Y646 HydrophobicContact CG2-CE2 4.37Å; T411-Y646 HydrophobicContact CG2-CG 4.39Å
412M84Confident75.1Confident11 Ų1126 Ų265%0.05414%0.142CC..Hα-helixtrans-62.5-41.7-179.8-72.8-64-6700113.3I240 E371 A373 N398 F400 L408 A409 R415I240-M412 HydrophobicContact CG2-CB 3.87Å; I240-M412 HydrophobicContact CG2-CE 3.75Å; I240-M412 HydrophobicContact CG2-CG 4.15Å; E371-M412 HydrophobicContact CB-CE 4.41Å; A373-M412 HydrophobicContact CB-CE 4.13Å; A373-M412 HydrophobicContact CB-SD 4.19Å; N398-M412 HydrophobicContact CB-SD 3.97Å; F400-M412 HydrophobicContact CE2-CG 3.97Å; F400-M412 HydrophobicContact CE2-SD 3.68Å; F400-M412 HydrophobicContact CZ-CG 3.85Å; F400-M412 HydrophobicContact CZ-SD 3.8Å; L408-M412 HydrophobicContact CD2-CG 4.05Å; L408-M412 WeakPolarHBondContact O-CB 3.21Å; L408-M412 VanDerWaalsContact O-CG 3.27Å; L408-M412 WeakPolarHBondContact O-CG 3.49Å; L408-M412 PolarHBondContact O-N 3.05Å; A409-M412 PolarHBondContact O-N 2.84Å; M412-R415 WeakPolarHBondContact O-CB 3.36Å
413Y84.2Confident72Confident2 Ų227.3 Ų27.31%0.00815%0.152CC..Hα-helixtrans-69.5-49.2178.1-69.3-60.1000111.5V104 D139 I141 F142 T145 I240 A409 T411 R415 L416V104-Y413 HydrophobicContact CG1-CD2 3.61Å; V104-Y413 HydrophobicContact CG1-CE2 4.24Å; V104-Y413 HydrophobicContact CG1-CG 4.46Å; D139-Y413 PolarHBondContact OD1-OH 3.17Å; D139-Y413 PolarHBondContact OD2-OH 2.97Å; I141-Y413 HydrophobicContact CB-CD1 4.22Å; I141-Y413 HydrophobicContact CB-CD2 4.12Å; I141-Y413 HydrophobicContact CB-CE1 3.91Å; I141-Y413 HydrophobicContact CB-CE2 3.79Å; I141-Y413 HydrophobicContact CB-CG 4.33Å; I141-Y413 HydrophobicContact CD1-CD2 4.46Å; I141-Y413 HydrophobicContact CD1-CE2 3.95Å; I141-Y413 HydrophobicContact CG1-CE2 4.43Å; I141-Y413 HydrophobicContact CG2-CD1 3.76Å; I141-Y413 HydrophobicContact CG2-CD2 3.41Å; I141-Y413 VanDerWaalsContact CG2-CD2 3.41Å; I141-Y413 HydrophobicContact CG2-CE1 3.97Å; I141-Y413 HydrophobicContact CG2-CE2 3.63Å; I141-Y413 HydrophobicContact CG2-CG 3.49Å; I141-Y413 VanDerWaalsContact CG2-CG 3.49Å; F142-Y413 HydrophobicContact CB-CD1 4.42Å; F142-Y413 HydrophobicContact CB-CE1 3.86Å; T145-Y413 VanDerWaalsContact CG2-O 3.28Å; T145-Y413 WeakPolarHBondContact CG2-O 3.4Å; I240-Y413 HydrophobicContact CB-CE1 4.32Å; I240-Y413 HydrophobicContact CD1-CD1 4.28Å; I240-Y413 HydrophobicContact CD1-CE1 3.84Å; I240-Y413 HydrophobicContact CG1-CE1 4.27Å; I240-Y413 PolarHBondContact N-OH 3.43Å; A409-Y413 HydrophobicContact CB-CD2 4.25Å; A409-Y413 HydrophobicContact CB-CE2 4.05Å; A409-Y413 WeakPolarHBondContact O-CD2 3.46Å; A409-Y413 PolarHBondContact O-N 3.37Å; T411-Y413 PolarHBondContact O-N 3.03Å; Y413-R415 PolarHBondContact O-N 3.49Å; Y413-L416 HydrophobicContact CD1-CD1 4.5Å; Y413-L416 WeakPolarHBondContact O-CB 3.25Å; Y413-L416 VanDerWaalsContact O-CG 3.28Å; Y413-L416 WeakPolarHBondContact O-CG 3.43Å; Y413-L416 PolarHBondContact O-N 2.92Å
414T81.7Confident69Low3 Ų334.3 Ų34.32%0.01818%0.18CC..Hα-helixtrans-63.4-28177.355.40000113.3E107 V108 K111 A410 T411 L416 F417 L512E107-T414 HydrophobicContact CB-CG2 4.09Å; V108-T414 HydrophobicContact CG2-CG2 4.28Å; K111-T414 HydrophobicContact CB-CG2 4.21Å; A410-T414 WeakPolarHBondContact O-CB 3.47Å; A410-T414 VanDerWaalsContact O-CG2 3.28Å; A410-T414 WeakPolarHBondContact O-CG2 3.39Å; A410-T414 PolarHBondContact O-N 2.88Å; A410-T414 PolarHBondContact O-OG1 3.39Å; T411-T414 PolarHBondContact O-OG1 3.47Å; T411-T414 VanDerWaalsContact O-OG1 3.11Å; T414-L416 PolarHBondContact O-N 2.61Å; T414-L416 VanDerWaalsContact O-N 3.16Å; T414-F417 WeakPolarHBondContact O-CB 3.48Å; T414-F417 WeakPolarHBondContact O-CD2 3.37Å; T414-F417 PolarHBondContact O-N 2.94Å; T414-L512 HydrophobicContact CG2-CD2 3.91Å; T414-L512 VanDerWaalsContact OG1-CD2 3.25Å; T414-L512 WeakPolarHBondContact OG1-CD2 3.32Å
415R75.7Confident65.9Low8 Ų835.6 Ų35.63%0.0318%0.18CC..Hα-helixtrans-60.4-21.2172.5-171.9-172.8165.6104-6.9112.4E371 N398 T411 M412 Y413 F417 E418 L419 T644 Y646E371-R415 IonicContact OE1-NE 3.06Å; E371-R415 IonicContact OE1-NH2 3.96Å; E371-R415 IonicContact OE2-CZ 3.81Å; E371-R415 IonicContact OE2-NE 2.85Å; E371-R415 PolarHBondContact OE2-NE 3.04Å; E371-R415 IonicContact OE2-NH2 2.93Å; E371-R415 PolarHBondContact OE2-NH2 3.43Å; N398-R415 WeakPolarHBondContact OD1-CD 3.17Å; N398-R415 PolarHBondContact OD1-NE 3.05Å; N398-R415 PolarHBondContact OD1-NH1 2.79Å; N398-R415 PolarHBondContact OD1-NH2 2.85Å; T411-R415 WeakPolarHBondContact O-CB 3.07Å; T411-R415 PolarHBondContact O-N 3.47Å; M412-R415 WeakPolarHBondContact O-CB 3.36Å; Y413-R415 PolarHBondContact O-N 3.49Å; R415-F417 PolarHBondContact O-N 3.23Å; R415-F417 VanDerWaalsContact O-N 3.17Å; R415-E418 CarbonylContact O-C 3.58Å; R415-E418 WeakPolarHBondContact O-CA 3.34Å; R415-E418 PolarHBondContact O-N 3.41Å; R415-L419 HydrophobicContact CB-CD1 4.48Å; R415-L419 HydrophobicContact CG-CD1 3.62Å; R415-L419 HydrophobicContact CG-CD2 4.5Å; R415-L419 HydrophobicContact CG-CG 3.74Å; R415-L419 WeakPolarHBondContact O-CG 3.47Å; R415-L419 PolarHBondContact O-N 3.23Å; R415-T644 PolarHBondContact NH1-OG1 3.44Å; R415-T644 PolarHBondContact NH2-OG1 3.45Å; R415-Y646 WeakPolarHBondContact CD-OH 3.28Å; R415-Y646 PolarHBondContact NH1-OH 2.75Å
416L72Confident62.9Low26 Ų2640.4 Ų40.414%0.13621%0.212CC..THydrogen-bonded Turntrans-58.5-25.8169.1-64.2170.2000112.5F142 T145 R149 Y413 T414 E418F142-L416 HydrophobicContact CD2-CD1 3.69Å; F142-L416 HydrophobicContact CD2-CD2 4.47Å; F142-L416 HydrophobicContact CE2-CD1 3.87Å; F142-L416 HydrophobicContact CE2-CD2 3.94Å; T145-L416 HydrophobicContact CG2-CB 4.15Å; T145-L416 HydrophobicContact CG2-CD1 3.78Å; R149-L416 WeakPolarHBondContact CD-O 3.36Å; R149-L416 PolarHBondContact NE-O 3.35Å; R149-L416 PolarHBondContact NH1-O 3.12Å; Y413-L416 HydrophobicContact CD1-CD1 4.5Å; Y413-L416 WeakPolarHBondContact O-CB 3.25Å; Y413-L416 VanDerWaalsContact O-CG 3.28Å; Y413-L416 WeakPolarHBondContact O-CG 3.43Å; Y413-L416 PolarHBondContact O-N 2.92Å; T414-L416 PolarHBondContact O-N 2.61Å; T414-L416 VanDerWaalsContact O-N 3.16Å; L416-E418 VanDerWaalsContact C-N 3.34Å
417F71.6Confident59.9Low11 Ų1141.1 Ų41.15%0.04823%0.225CC..THydrogen-bonded Turntrans-76-23.8172.6-71.5-99.1000113.2V108 K111 F115 T145 L148 R149 T414 R415V108-F417 HydrophobicContact CG1-CE2 4.06Å; V108-F417 HydrophobicContact CG1-CZ 4.31Å; K111-F417 HydrophobicContact CB-CD2 4.3Å; K111-F417 HydrophobicContact CB-CE2 4.37Å; K111-F417 HydrophobicContact CG-CB 3.91Å; K111-F417 HydrophobicContact CG-CD1 4.29Å; K111-F417 HydrophobicContact CG-CD2 3.78Å; K111-F417 HydrophobicContact CG-CE2 4.33Å; K111-F417 HydrophobicContact CG-CG 3.75Å; F115-F417 HydrophobicContact CD2-CB 4.48Å; F115-F417 AromaticContact CD2-CD1 3.85Å; F115-F417 HydrophobicContact CD2-CD1 3.85Å; F115-F417 HydrophobicContact CE2-CB 3.65Å; F115-F417 AromaticContact CE2-CD1 3.85Å; F115-F417 HydrophobicContact CE2-CD1 3.85Å; F115-F417 HydrophobicContact CE2-CG 4.16Å; F115-F417 HydrophobicContact CG-CD1 4.36Å; F115-F417 HydrophobicContact CZ-CB 3.91Å; F115-F417 HydrophobicContact CZ-CD1 4.34Å; F115-F417 WeakPolarHBondContact CZ-O 3.45Å; T145-F417 HydrophobicContact CG2-CD2 4.19Å; T145-F417 HydrophobicContact CG2-CE2 3.67Å; L148-F417 HydrophobicContact CB-CZ 4.49Å; R149-F417 HydrophobicContact CB-CD1 4.04Å; R149-F417 HydrophobicContact CB-CE1 3.87Å; R149-F417 HydrophobicContact CB-CE2 4.42Å; R149-F417 HydrophobicContact CB-CG 4.39Å; R149-F417 HydrophobicContact CB-CZ 4.07Å; R149-F417 HydrophobicContact CG-CD1 4Å; R149-F417 HydrophobicContact CG-CE1 4.32Å; R149-F417 HydrophobicContact CG-CG 4.28Å; T414-F417 WeakPolarHBondContact O-CB 3.48Å; T414-F417 WeakPolarHBondContact O-CD2 3.37Å; T414-F417 PolarHBondContact O-N 2.94Å; R415-F417 PolarHBondContact O-N 3.23Å; R415-F417 VanDerWaalsContact O-N 3.17Å
418E60.5Low56.9Low102 Ų10247.8 Ų47.848%0.47726%0.256SS..THydrogen-bonded Turntrans-97.1-26-174.3-57-178166.200111.9K111 R415 L416 N420K111-E418 VanDerWaalsContact CE-OE1 3.29Å; K111-E418 WeakPolarHBondContact CE-OE1 3.34Å; K111-E418 IonicContact NZ-OE1 2.72Å; K111-E418 PolarHBondContact NZ-OE1 3.42Å; R415-E418 CarbonylContact O-C 3.58Å; R415-E418 WeakPolarHBondContact O-CA 3.34Å; R415-E418 PolarHBondContact O-N 3.41Å; L416-E418 VanDerWaalsContact C-N 3.34Å; E418-N420 PolarHBondContact O-N 3.31Å
419L50.3Low54.2Low27 Ų2752.2 Ų52.214%0.14128%0.283CS..  trans-85.2115.1-178.1-72.2165.8000112.8R149 E371 R415 G421 P642R149-L419 VanDerWaalsContact CZ-O 3.29Å; R149-L419 PolarHBondContact NH1-O 3.44Å; R149-L419 VanDerWaalsContact NH1-O 3.12Å; R149-L419 PolarHBondContact NH2-O 3.38Å; E371-L419 HydrophobicContact CG-CD1 4.32Å; E371-L419 WeakPolarHBondContact OE1-CD1 3.36Å; E371-L419 WeakPolarHBondContact OE1-CD2 3.36Å; E371-L419 VanDerWaalsContact OE2-CD1 3.24Å; E371-L419 WeakPolarHBondContact OE2-CD1 3.47Å; R415-L419 HydrophobicContact CB-CD1 4.48Å; R415-L419 HydrophobicContact CG-CD1 3.62Å; R415-L419 HydrophobicContact CG-CD2 4.5Å; R415-L419 HydrophobicContact CG-CG 3.74Å; R415-L419 WeakPolarHBondContact O-CG 3.47Å; R415-L419 PolarHBondContact O-N 3.23Å; L419-G421 PolarHBondContact O-N 2.95Å; L419-G421 VanDerWaalsContact O-N 3.14Å; L419-P642 HydrophobicContact CD2-CG 4.42Å
420N43.1Very low51.6Low66 Ų6655.9 Ų55.935%0.35331%0.308SS..  trans-63.6102.5155.2-74-9000107.4D124 Y125 E418D124-N420 PolarHBondContact O-OD1 3.42Å; D124-N420 VanDerWaalsContact O-OD1 3.07Å; Y125-N420 VanDerWaalsContact CD2-CA 3.5Å; Y125-N420 HydrophobicContact CD2-CB 3.4Å; Y125-N420 HydrophobicContact CE2-CB 3.59Å; Y125-N420 HydrophobicContact CG-CB 4.49Å; E418-N420 PolarHBondContact O-N 3.31Å
421G33.7Very low49.2Very low27 Ų2766.3 Ų66.328%0.27835%0.354SS..  trans-54.3166.8-172.400000112.7Y125 L419Y125-G421 WeakPolarHBondContact CD1-O 3.47Å; Y125-G421 WeakPolarHBondContact CE1-O 3.11Å; Y125-G421 WeakPolarHBondContact CE2-O 3.45Å; Y125-G421 PolarHBondContact OH-O 3.38Å; Y125-G421 VanDerWaalsContact OH-O 3.04Å; L419-G421 PolarHBondContact O-N 2.95Å; L419-G421 VanDerWaalsContact O-N 3.14Å
422S30.3Very low47.3Very low62 Ų6268.2 Ų68.243%0.43437%0.366SS..  trans-113.9143.2-179.559.60000112.9
423S27.1Very low45.6Very low46 Ų4674 Ų7432%0.32240%0.397SS..  trans4.3113.7164.252.70000118.8F425S423-F425 PolarHBondContact O-N 3.49Å
424Y26.7Very low44.1Very low147 Ų14777.1 Ų77.158%0.57641%0.414SS*.PPolyproline II helixtrans-59.9122.7162.5-152.7-96.2000110.2
425F24.7Very low42.8Very low70 Ų7081.1 Ų81.131%0.30744%0.442SS..PPolyproline II helixtrans-88.1136.6158.2-89.3-84.6000108.7S423 T427 L614S423-F425 PolarHBondContact O-N 3.49Å; F425-T427 PolarHBondContact O-N 2.86Å; F425-L614 WeakPolarHBondContact CE2-O 3.05Å; F425-L614 WeakPolarHBondContact CZ-O 3.39Å
426P24.9Very low42.3Very low109 Ų10982 Ų8271%0.70845%0.453SS*.PPolyproline II helixtrans-66.6121.6175.225.6-30000110.1E428P426-E428 PolarHBondContact O-N 3.41Å; P426-E428 VanDerWaalsContact O-N 3.16Å
427T25.4Very low42.5Very low97 Ų9786.4 Ų86.460%0.59548%0.481SS*.  trans-82.478.8174.944.90000110.7P367 F425P367-T427 HydrophobicContact CG-CG2 4.29Å; F425-T427 PolarHBondContact O-N 2.86Å
428E27.1Very low42.8Very low184 Ų18487 Ų8786%0.8649%0.485SS*.  trans-14485.3155.5-84.5-164.9160.800109.5P426 S430P426-E428 PolarHBondContact O-N 3.41Å; P426-E428 VanDerWaalsContact O-N 3.16Å; E428-S430 PolarHBondContact O-N 2.82Å
429V31.8Very low43.7Very low93 Ų9384.4 Ų84.456%0.56447%0.471SS*.  trans-84.694170.6-1720000107.9
430S32.8Very low45.1Very low77 Ų7789.5 Ų89.554%0.53849%0.492SS..  trans-64.4145.7163.254.90000110E428 T432E428-S430 PolarHBondContact O-N 2.82Å; S430-T432 PolarHBondContact O-N 3.41Å; S430-T432 VanDerWaalsContact O-N 3.07Å; S430-T432 PolarHBondContact O-OG1 3.48Å
431K37.8Very low47.1Very low219 Ų21989.1 Ų89.195%0.95249%0.492SS*.  trans-60.2110.4179-71.8179.4177.5177.40110.1
432T47.6Very low49.6Very low45 Ų4587.9 Ų87.928%0.27648%0.479SS..  trans-126.3157.4178.638.90000114.5S430 N434 S605 N609S430-T432 PolarHBondContact O-N 3.41Å; S430-T432 VanDerWaalsContact O-N 3.07Å; S430-T432 PolarHBondContact O-OG1 3.48Å; T432-N434 PolarHBondContact O-N 2.9Å; T432-N434 PolarHBondContact O-ND2 2.9Å; T432-S605 WeakPolarHBondContact CB-OG 3.26Å; T432-S605 WeakPolarHBondContact CG2-OG 3.42Å; T432-S605 PolarHBondContact OG1-OG 3.17Å; T432-N609 PolarHBondContact OG1-ND2 3.35Å
433N47.9Very low52.1Low132 Ų13286.5 Ų86.571%0.70647%0.47SS*.  trans-80.584.2-161.2-149.62.4000111.8S435 G436N433-S435 PolarHBondContact O-N 2.76Å; N433-G436 PolarHBondContact O-N 3.4Å
434N52.9Low54.9Low69 Ų6988.4 Ų88.437%0.36948%0.479SS..THydrogen-bonded Turntrans-67.70.1-171.8-73.8-44.8000116.7K361 T432K361-N434 WeakPolarHBondContact CE-OD1 3.44Å; K361-N434 PolarHBondContact NZ-OD1 2.91Å; T432-N434 PolarHBondContact O-N 2.9Å; T432-N434 PolarHBondContact O-ND2 2.9Å
435S54.7Low57.8Low87 Ų8782.7 Ų82.761%0.60846%0.46SS*.THydrogen-bonded Turntrans-107.50.3178.455.50000113.3N433N433-S435 PolarHBondContact O-N 2.76Å
436G65.6Low60.7Low26 Ų2679.5 Ų79.527%0.26845%0.446SS..SBendtrans-65.4152.7-177.500000113.8N433 L438 Y439 K440N433-G436 PolarHBondContact O-N 3.4Å; G436-L438 VanDerWaalsContact C-N 3.26Å; G436-L438 PolarHBondContact O-N 3.39Å; G436-Y439 PolarHBondContact O-N 3.28Å; G436-K440 PolarHBondContact O-N 3.35Å
437T76.2Confident63.4Low118 Ų11881.4 Ų81.472%0.72444%0.443SS*.Hα-helixtrans-56.5-39.6174.844.60000111.9Y439 K440 T441T437-Y439 PolarHBondContact O-N 3.37Å; T437-K440 PolarHBondContact O-N 2.86Å; T437-T441 PolarHBondContact O-N 2.89Å; T437-T441 PolarHBondContact O-OG1 3.41Å
438L77.6Confident66.4Low25 Ų2579.9 Ų79.913%0.13143%0.434CS..Hα-helixtrans-62.8-42.4178.8-176.661.5000113G436 K440 T441 L442 C598 I606G436-L438 VanDerWaalsContact C-N 3.26Å; G436-L438 PolarHBondContact O-N 3.39Å; L438-K440 VanDerWaalsContact C-N 3.33Å; L438-K440 PolarHBondContact O-N 2.69Å; L438-T441 PolarHBondContact O-N 3.49Å; L438-L442 HydrophobicContact CD1-CD1 4.11Å; L438-L442 HydrophobicContact CD1-CG 4.01Å; L438-L442 HydrophobicContact CG-CD1 4.09Å; L438-L442 HydrophobicContact CG-CG 4.35Å; L438-L442 WeakPolarHBondContact O-CB 3.27Å; L438-L442 WeakPolarHBondContact O-CG 3.23Å; L438-L442 PolarHBondContact O-N 3.47Å; L438-C598 HydrophobicContact CD2-CB 4.02Å; L438-I606 HydrophobicContact CB-CD1 4.17Å; L438-I606 HydrophobicContact CD2-CD1 3.46Å; L438-I606 VanDerWaalsContact CD2-CD1 3.46Å; L438-I606 HydrophobicContact CG-CD1 3.75Å
439Y79.8Confident69.3Low46 Ų4671.1 Ų71.118%0.1839%0.393CS..Hα-helixtrans-58.1-46.8175.4178.7-84000111K361 G436 T437 S443 I606 N609 L610K361-Y439 PolarHBondContact NZ-OH 3.48Å; K361-Y439 VanDerWaalsContact NZ-OH 3.11Å; G436-Y439 PolarHBondContact O-N 3.28Å; T437-Y439 PolarHBondContact O-N 3.37Å; Y439-S443 WeakPolarHBondContact CE1-OG 3.26Å; Y439-S443 VanDerWaalsContact O-CB 3.3Å; Y439-S443 WeakPolarHBondContact O-CB 3.28Å; Y439-S443 PolarHBondContact O-N 3.43Å; Y439-S443 PolarHBondContact O-OG 3.25Å; Y439-I606 HydrophobicContact CD2-CG2 3.97Å; Y439-N609 HydrophobicContact CE2-CB 4.33Å; Y439-L610 HydrophobicContact CD2-CD2 3.96Å; Y439-L610 HydrophobicContact CE1-CD2 4.14Å; Y439-L610 HydrophobicContact CE2-CD2 3.41Å; Y439-L610 VanDerWaalsContact CE2-CD2 3.41Å; Y439-L610 HydrophobicContact CE2-CG 4.28Å
440K80.4Confident71.7Confident135 Ų13568.7 Ų68.759%0.58737%0.374SS*.Hα-helixtrans-63.6-42.4178.2-67.7-178-179.8178.70111.9G436 T437 L438 T444G436-K440 PolarHBondContact O-N 3.35Å; T437-K440 PolarHBondContact O-N 2.86Å; L438-K440 VanDerWaalsContact C-N 3.33Å; L438-K440 PolarHBondContact O-N 2.69Å; K440-T444 WeakPolarHBondContact O-CB 3.34Å; K440-T444 PolarHBondContact O-N 3.4Å; K440-T444 PolarHBondContact O-OG1 3.04Å
441T85Confident74Confident58 Ų5867.6 Ų67.636%0.35637%0.369SS..Hα-helixtrans-62.6-51.8178.1-590000111.1T437 L438 S443 T444 V445 H594T437-T441 PolarHBondContact O-N 2.89Å; T437-T441 PolarHBondContact O-OG1 3.41Å; L438-T441 PolarHBondContact O-N 3.49Å; T441-S443 PolarHBondContact O-N 3.18Å; T441-T444 WeakPolarHBondContact O-CB 3.48Å; T441-T444 PolarHBondContact O-N 2.98Å; T441-T444 VanDerWaalsContact O-N 3.12Å; T441-V445 HydrophobicContact CG2-CG2 4.5Å; T441-V445 WeakPolarHBondContact O-CG2 3.38Å; T441-V445 PolarHBondContact O-N 2.82Å; T441-H594 VanDerWaalsContact CG2-CE1 3.46Å; T441-H594 WeakPolarHBondContact CG2-CE1 3.28Å
442L85.4Confident76.3Confident0 Ų057.3 Ų57.30%033%0.325CS..Hα-helixtrans-62.1-44.1179.4-69-179.6000111.5L438 T444 V445 I446 L561 I606 L607 L610L438-L442 HydrophobicContact CD1-CD1 4.11Å; L438-L442 HydrophobicContact CD1-CG 4.01Å; L438-L442 HydrophobicContact CG-CD1 4.09Å; L438-L442 HydrophobicContact CG-CG 4.35Å; L438-L442 WeakPolarHBondContact O-CB 3.27Å; L438-L442 WeakPolarHBondContact O-CG 3.23Å; L438-L442 PolarHBondContact O-N 3.47Å; L442-T444 VanDerWaalsContact C-N 3.26Å; L442-T444 PolarHBondContact O-N 3.22Å; L442-V445 PolarHBondContact O-N 2.92Å; L442-I446 WeakPolarHBondContact O-CD1 3.01Å; L442-I446 WeakPolarHBondContact O-CG1 3.28Å; L442-I446 PolarHBondContact O-N 3.24Å; L442-L561 HydrophobicContact CD2-CD1 4.04Å; L442-L561 HydrophobicContact CD2-CD2 3.64Å; L442-I606 HydrophobicContact CD1-CB 4.44Å; L442-I606 HydrophobicContact CD1-CG2 3.76Å; L442-L607 HydrophobicContact CD1-CD2 4.45Å; L442-L610 HydrophobicContact CB-CD1 4.13Å
443S82.5Confident78.1Confident34 Ų3455.1 Ų55.124%0.23831%0.312CS..Hα-helixtrans-53.3-45.1173.3-58.70000111.6Y439 T441 F447 L610Y439-S443 WeakPolarHBondContact CE1-OG 3.26Å; Y439-S443 VanDerWaalsContact O-CB 3.3Å; Y439-S443 WeakPolarHBondContact O-CB 3.28Å; Y439-S443 PolarHBondContact O-N 3.43Å; Y439-S443 PolarHBondContact O-OG 3.25Å; T441-S443 PolarHBondContact O-N 3.18Å; S443-F447 VanDerWaalsContact O-CB 3.22Å; S443-F447 WeakPolarHBondContact O-CB 3.22Å; S443-F447 PolarHBondContact O-N 2.95Å; S443-L610 WeakPolarHBondContact OG-CD2 3.45Å
444T85.8Confident79.5Confident85 Ų8550.5 Ų50.552%0.52129%0.292SS..Hα-helixtrans-67.6-43.6-178.8-56.50000111.6K440 T441 L442 F447 T448K440-T444 WeakPolarHBondContact O-CB 3.34Å; K440-T444 PolarHBondContact O-N 3.4Å; K440-T444 PolarHBondContact O-OG1 3.04Å; T441-T444 WeakPolarHBondContact O-CB 3.48Å; T441-T444 PolarHBondContact O-N 2.98Å; T441-T444 VanDerWaalsContact O-N 3.12Å; L442-T444 VanDerWaalsContact C-N 3.26Å; L442-T444 PolarHBondContact O-N 3.22Å; T444-F447 PolarHBondContact O-N 3.07Å; T444-T448 WeakPolarHBondContact O-CB 3.38Å; T444-T448 PolarHBondContact O-N 3.27Å; T444-T448 PolarHBondContact O-OG1 2.56Å
445V87.8Confident80.8Confident27 Ų2749.9 Ų49.916%0.16429%0.293CS..Hα-helixtrans-61.2-48178.7170.40000110.1T441 L442 T448 A449 V559 A592T441-V445 HydrophobicContact CG2-CG2 4.5Å; T441-V445 WeakPolarHBondContact O-CG2 3.38Å; T441-V445 PolarHBondContact O-N 2.82Å; L442-V445 PolarHBondContact O-N 2.92Å; V445-T448 PolarHBondContact O-N 3.48Å; V445-A449 WeakPolarHBondContact O-CB 3.08Å; V445-A449 PolarHBondContact O-N 3.2Å; V445-V559 HydrophobicContact CG1-CG1 3.68Å; V445-V559 HydrophobicContact CG1-CG2 4.31Å; V445-A592 HydrophobicContact CG1-CB 3.82Å
446I85.2Confident81.9Confident3 Ų345.8 Ų45.82%0.01526%0.264CS..Hα-helixtrans-66.5-43.5-179.4-67.6153.5000111.2L442 T448 A449 R450 P525 V527 V559 L607 L610 E612 P613L442-I446 WeakPolarHBondContact O-CD1 3.01Å; L442-I446 WeakPolarHBondContact O-CG1 3.28Å; L442-I446 PolarHBondContact O-N 3.24Å; I446-T448 VanDerWaalsContact C-N 3.3Å; I446-T448 PolarHBondContact O-N 3.32Å; I446-A449 WeakPolarHBondContact O-CB 3.45Å; I446-A449 PolarHBondContact O-N 2.92Å; I446-R450 PolarHBondContact O-N 2.71Å; I446-P525 HydrophobicContact CG2-CB 4.33Å; I446-P525 HydrophobicContact CG2-CG 4.3Å; I446-V527 HydrophobicContact CD1-CG2 4.27Å; I446-V527 HydrophobicContact CG1-CG2 4.13Å; I446-V559 HydrophobicContact CG1-CG2 4.45Å; I446-L607 HydrophobicContact CD1-CD2 4.04Å; I446-L610 HydrophobicContact CD1-CD1 3.41Å; I446-L610 VanDerWaalsContact CD1-CD1 3.41Å; I446-E612 HydrophobicContact CG2-CB 3.94Å; I446-E612 WeakPolarHBondContact CG2-O 3.47Å; I446-P613 HydrophobicContact CD1-CG 4.49Å
447F82.4Confident82.1Confident149 Ų14945.9 Ų45.965%0.65426%0.258SS*.Hα-helixtrans-61.1-40.4175.9-175.7-96.9000112.1S443 T444 R450 A451S443-F447 VanDerWaalsContact O-CB 3.22Å; S443-F447 WeakPolarHBondContact O-CB 3.22Å; S443-F447 PolarHBondContact O-N 2.95Å; T444-F447 PolarHBondContact O-N 3.07Å; F447-R450 WeakPolarHBondContact O-CB 3.34Å; F447-R450 PolarHBondContact O-N 3.21Å; F447-A451 PolarHBondContact O-N 3.17Å
448T87.5Confident81.6Confident65 Ų6545.7 Ų45.740%0.39926%0.257SS..Hα-helixtrans-64.7-42.8176.4-57.60000111.1T444 V445 I446 R450 A451 A452T444-T448 WeakPolarHBondContact O-CB 3.38Å; T444-T448 PolarHBondContact O-N 3.27Å; T444-T448 PolarHBondContact O-OG1 2.56Å; V445-T448 PolarHBondContact O-N 3.48Å; I446-T448 VanDerWaalsContact C-N 3.3Å; I446-T448 PolarHBondContact O-N 3.32Å; T448-R450 VanDerWaalsContact C-N 3.32Å; T448-R450 PolarHBondContact O-N 3.49Å; T448-A451 PolarHBondContact O-N 3.04Å; T448-A452 WeakPolarHBondContact O-CB 3.26Å; T448-A452 PolarHBondContact O-N 3.34Å
449A88Confident81Confident1 Ų148.8 Ų48.81%0.00827%0.269CS..Hα-helixtrans-62.6-39175.100000111.7V445 I446 A452 Q453 P525 A557 V559V445-A449 WeakPolarHBondContact O-CB 3.08Å; V445-A449 PolarHBondContact O-N 3.2Å; I446-A449 WeakPolarHBondContact O-CB 3.45Å; I446-A449 PolarHBondContact O-N 2.92Å; A449-A452 WeakPolarHBondContact O-CB 3.28Å; A449-A452 PolarHBondContact O-N 3.04Å; A449-Q453 WeakPolarHBondContact O-CB 3.4Å; A449-Q453 PolarHBondContact O-N 2.9Å; A449-P525 HydrophobicContact CB-CB 4.01Å; A449-P525 HydrophobicContact CB-CG 4.09Å; A449-A557 HydrophobicContact CB-CB 3.81Å; A449-A557 VanDerWaalsContact O-CB 3.23Å; A449-A557 WeakPolarHBondContact O-CB 3.38Å; A449-V559 HydrophobicContact CB-CG2 3.64Å
450R82.6Confident80.1Confident42 Ų4247.9 Ų47.916%0.15827%0.274CS..Hα-helixtrans-62.5-47174.9-170.969.8167.6135.27.6112L393 I446 F447 T448 A452 Q453 A454 P525 E612L393-R450 PolarHBondContact O-NH2 3.14Å; I446-R450 PolarHBondContact O-N 2.71Å; F447-R450 WeakPolarHBondContact O-CB 3.34Å; F447-R450 PolarHBondContact O-N 3.21Å; T448-R450 VanDerWaalsContact C-N 3.32Å; T448-R450 PolarHBondContact O-N 3.49Å; R450-A452 VanDerWaalsContact C-N 3.29Å; R450-A452 PolarHBondContact O-N 3.27Å; R450-Q453 WeakPolarHBondContact O-CB 3.06Å; R450-Q453 PolarHBondContact O-N 3.19Å; R450-A454 PolarHBondContact O-N 3.32Å; R450-P525 HydrophobicContact CB-CG 3.83Å; R450-P525 VanDerWaalsContact CD-CD 3.43Å; R450-E612 VanDerWaalsContact CD-OE2 3.22Å; R450-E612 WeakPolarHBondContact CD-OE2 3.3Å; R450-E612 VanDerWaalsContact CG-OE2 3.28Å; R450-E612 WeakPolarHBondContact CG-OE2 3.37Å; R450-E612 IonicContact CZ-OE1 3.65Å; R450-E612 IonicContact NE-OE1 3.67Å; R450-E612 PolarHBondContact NE-OE1 2.9Å; R450-E612 IonicContact NE-OE2 3.08Å; R450-E612 PolarHBondContact NE-OE2 3.28Å; R450-E612 IonicContact NH2-OE1 3.4Å
451A82.4Confident79.3Confident53 Ų5345 Ų4544%0.43826%0.26SS..Hα-helixtrans-61.7-39.2176.100000111.7F447 T448 A454 S455F447-A451 PolarHBondContact O-N 3.17Å; T448-A451 PolarHBondContact O-N 3.04Å; A451-A454 PolarHBondContact O-N 3.28Å; A451-S455 PolarHBondContact O-N 2.92Å
452A85.4Confident78.2Confident3 Ų349.8 Ų49.83%0.02528%0.278CS..Hα-helixtrans-62.2-47.2175.600000112.3T448 A449 R450 A454 S455 S456 V587 S589 L590T448-A452 WeakPolarHBondContact O-CB 3.26Å; T448-A452 PolarHBondContact O-N 3.34Å; A449-A452 WeakPolarHBondContact O-CB 3.28Å; A449-A452 PolarHBondContact O-N 3.04Å; R450-A452 VanDerWaalsContact C-N 3.29Å; R450-A452 PolarHBondContact O-N 3.27Å; A452-A454 PolarHBondContact O-N 2.97Å; A452-S455 PolarHBondContact O-N 2.87Å; A452-S456 WeakPolarHBondContact O-CB 3.12Å; A452-S456 PolarHBondContact O-N 3.39Å; A452-V587 HydrophobicContact CB-CG1 3.61Å; A452-S589 WeakPolarHBondContact CB-OG 3.46Å; A452-L590 HydrophobicContact CB-CD2 4.43Å; A452-L590 HydrophobicContact CB-CG 4.43Å
453Q85Confident77.4Confident0 Ų053.2 Ų53.20%030%0.296CS..Hα-helixtrans-56.5-49.2174.2169.3-1801.700111.5A449 R450 S455 S456 M457 P522 G524 G555 A557A449-Q453 WeakPolarHBondContact O-CB 3.4Å; A449-Q453 PolarHBondContact O-N 2.9Å; R450-Q453 WeakPolarHBondContact O-CB 3.06Å; R450-Q453 PolarHBondContact O-N 3.19Å; Q453-S455 VanDerWaalsContact C-N 3.34Å; Q453-S455 PolarHBondContact O-N 3.2Å; Q453-S456 PolarHBondContact O-N 3.17Å; Q453-M457 HydrophobicContact CG-CE 3.6Å; Q453-M457 PolarHBondContact O-N 3.06Å; Q453-P522 VanDerWaalsContact NE2-CB 3.31Å; Q453-P522 VanDerWaalsContact NE2-CG 3.27Å; Q453-G524 VanDerWaalsContact OE1-CA 3.25Å; Q453-G555 WeakPolarHBondContact CG-O 3.21Å; Q453-A557 HydrophobicContact CB-CB 4Å
454A77.7Confident76.7Confident35 Ų3551.8 Ų51.829%0.28929%0.286SS..Hα-helixtrans-60-44.7-179.800000111.8L393 R450 A451 A452 S456 T458L393-A454 HydrophobicContact CD1-CB 3.92Å; R450-A454 PolarHBondContact O-N 3.32Å; A451-A454 PolarHBondContact O-N 3.28Å; A452-A454 PolarHBondContact O-N 2.97Å; A454-S456 PolarHBondContact O-N 3.46Å; A454-T458 WeakPolarHBondContact O-CG2 2.67Å
455S79.3Confident75.9Confident56 Ų5649.7 Ų49.739%0.39227%0.27SS..Hα-helixtrans-60.7-43.5174.9-1770000112.2A451 A452 Q453 T458A451-S455 PolarHBondContact O-N 2.92Å; A452-S455 PolarHBondContact O-N 2.87Å; Q453-S455 VanDerWaalsContact C-N 3.34Å; Q453-S455 PolarHBondContact O-N 3.2Å; S455-T458 PolarHBondContact O-OG1 3.46Å
456S77.9Confident75.1Confident1 Ų151.4 Ų51.41%0.00728%0.284CS..Hα-helixtrans-69-42.7-177.4-175.90000113.1A452 Q453 A454 T458 K459 I464 L590A452-S456 WeakPolarHBondContact O-CB 3.12Å; A452-S456 PolarHBondContact O-N 3.39Å; Q453-S456 PolarHBondContact O-N 3.17Å; A454-S456 PolarHBondContact O-N 3.46Å; S456-T458 VanDerWaalsContact C-N 3.25Å; S456-T458 PolarHBondContact O-N 2.9Å; S456-K459 WeakPolarHBondContact O-CB 3.34Å; S456-K459 PolarHBondContact O-N 3.19Å; S456-I464 WeakPolarHBondContact OG-CD1 3.4Å; S456-I464 WeakPolarHBondContact OG-CG1 2.99Å; S456-L590 WeakPolarHBondContact OG-CD1 3.49Å
457M69.5Low74.8Confident27 Ų2752.1 Ų52.113%0.13329%0.287CS..Hα-helixtrans-61.2-31.8-179.7-103.1-165.4-77.200114L393 Q453 K459 G460 Y461 P522L393-M457 HydrophobicContact CD2-CB 4.35Å; L393-M457 HydrophobicContact CD2-CE 3Å; L393-M457 HydrophobicContact CD2-SD 3.48Å; L393-M457 WeakPolarHBondContact CD2-SD 3.45Å; L393-M457 HydrophobicContact CG-CE 4.41Å; Q453-M457 HydrophobicContact CG-CE 3.6Å; Q453-M457 PolarHBondContact O-N 3.06Å; M457-K459 PolarHBondContact O-N 2.89Å; M457-G460 PolarHBondContact O-N 3.18Å; M457-Y461 HydrophobicContact CG-CE1 4.25Å; M457-P522 HydrophobicContact CE-CB 4.43Å; M457-P522 HydrophobicContact CE-CG 3.11Å; M457-P522 HydrophobicContact CG-CG 4.17Å; M457-P522 WeakPolarHBondContact SD-CD 3.22Å; M457-P522 HydrophobicContact SD-CG 3.17Å; M457-P522 WeakPolarHBondContact SD-CG 3.47Å
458T65.9Low74.3Confident114 Ų11445 Ų4570%0.69926%0.256SS*.THydrogen-bonded Turntrans-60.8-16.4175.463.80000113.4A454 S455 S456A454-T458 WeakPolarHBondContact O-CG2 2.67Å; S455-T458 PolarHBondContact O-OG1 3.46Å; S456-T458 VanDerWaalsContact C-N 3.25Å; S456-T458 PolarHBondContact O-N 2.9Å
459K66.1Low73.3Confident90 Ų9044.9 Ų44.939%0.39125%0.252SS..THydrogen-bonded Turntrans-92-15.2176.7-49.8-176.2-176.4-177.90113.9S456 M457 L463 S586S456-K459 WeakPolarHBondContact O-CB 3.34Å; S456-K459 PolarHBondContact O-N 3.19Å; M457-K459 PolarHBondContact O-N 2.89Å; K459-L463 HydrophobicContact CB-CB 4.4Å; K459-L463 HydrophobicContact CB-CD2 3.97Å; K459-L463 HydrophobicContact CD-CD2 3.92Å; K459-S586 VanDerWaalsContact NZ-CB 3.32Å; K459-S586 PolarHBondContact NZ-OG 3.48Å
460G60.9Low72.2Confident27 Ų2750.1 Ų50.128%0.27828%0.277SS..  trans91.1146.9-177.200000114.8M457 E462 L463 I464M457-G460 PolarHBondContact O-N 3.18Å; G460-E462 VanDerWaalsContact C-N 3.26Å; G460-E462 PolarHBondContact O-N 2.97Å; G460-L463 WeakPolarHBondContact O-CB 3.48Å; G460-L463 PolarHBondContact O-N 3.33Å; G460-L463 VanDerWaalsContact O-N 3.12Å; G460-I464 PolarHBondContact O-N 2.96Å
461Y63.6Low70.7Confident75 Ų7554.3 Ų54.329%0.29430%0.302SS..Hα-helixtrans-61.4-32.3-176.8-54-77.2000113.5M457 L463 I464 Q465 I520 P522M457-Y461 HydrophobicContact CG-CE1 4.25Å; Y461-L463 PolarHBondContact O-N 2.98Å; Y461-I464 PolarHBondContact O-N 3.34Å; Y461-Q465 PolarHBondContact O-N 2.78Å; Y461-I520 PolarHBondContact OH-O 3.32Å; Y461-P522 WeakPolarHBondContact OH-CD 3.34Å
462E62.2Low69.3Low159 Ų15960.3 Ų60.374%0.74332%0.321SS*.Hα-helixtrans-63-31.7178.1-65.4160.9175.700111.6G460 Q465 S466G460-E462 VanDerWaalsContact C-N 3.26Å; G460-E462 PolarHBondContact O-N 2.97Å; E462-Q465 WeakPolarHBondContact O-CB 3.29Å; E462-Q465 PolarHBondContact O-N 3.22Å; E462-S466 PolarHBondContact O-N 3.44Å
463L68.4Low67.7Low72 Ų7266.3 Ų66.338%0.37736%0.357SS..Hα-helixtrans-78.3-37179-157133.1000111.4K459 G460 Y461 Q465 S466 E467K459-L463 HydrophobicContact CB-CB 4.4Å; K459-L463 HydrophobicContact CB-CD2 3.97Å; K459-L463 HydrophobicContact CD-CD2 3.92Å; G460-L463 WeakPolarHBondContact O-CB 3.48Å; G460-L463 PolarHBondContact O-N 3.33Å; G460-L463 VanDerWaalsContact O-N 3.12Å; Y461-L463 PolarHBondContact O-N 2.98Å; L463-Q465 VanDerWaalsContact C-N 3.29Å; L463-Q465 PolarHBondContact O-N 3.07Å; L463-S466 WeakPolarHBondContact CA-OG 3.32Å; L463-S466 PolarHBondContact O-N 3.35Å; L463-S466 PolarHBondContact O-OG 2.95Å; L463-E467 HydrophobicContact CD2-CG 4.37Å; L463-E467 WeakPolarHBondContact CD2-OE1 3.23Å; L463-E467 WeakPolarHBondContact O-CB 3.48Å; L463-E467 VanDerWaalsContact O-CG 3.29Å; L463-E467 WeakPolarHBondContact O-CG 3.36Å; L463-E467 PolarHBondContact O-N 2.81Å
464I68.3Low66.2Low3 Ų367.4 Ų67.42%0.01536%0.363CS..Hα-helixtrans-61.2-43.4169.3-56.3174.7000109.8S456 G460 Y461 E467 V468 L585S456-I464 WeakPolarHBondContact OG-CD1 3.4Å; S456-I464 WeakPolarHBondContact OG-CG1 2.99Å; G460-I464 PolarHBondContact O-N 2.96Å; Y461-I464 PolarHBondContact O-N 3.34Å; I464-E467 PolarHBondContact O-N 3.33Å; I464-V468 HydrophobicContact CG2-CG2 4.32Å; I464-V468 WeakPolarHBondContact O-CB 3.39Å; I464-V468 VanDerWaalsContact O-CG2 3.25Å; I464-V468 WeakPolarHBondContact O-CG2 3.47Å; I464-V468 PolarHBondContact O-N 3.36Å; I464-L585 HydrophobicContact CG2-CD2 4.43Å
465Q68.3Low64.9Low41 Ų4170.1 Ų70.119%0.19239%0.386CS..Hα-helixtrans-58.5-49.7174.7-176.8-160.5-6.300110.4Y461 E462 L463 E467 V468 L469 F484 F553Y461-Q465 PolarHBondContact O-N 2.78Å; E462-Q465 WeakPolarHBondContact O-CB 3.29Å; E462-Q465 PolarHBondContact O-N 3.22Å; L463-Q465 VanDerWaalsContact C-N 3.29Å; L463-Q465 PolarHBondContact O-N 3.07Å; Q465-E467 VanDerWaalsContact C-N 3.34Å; Q465-E467 PolarHBondContact O-N 3.17Å; Q465-V468 PolarHBondContact O-N 3.47Å; Q465-L469 HydrophobicContact CG-CD1 3.6Å; Q465-L469 HydrophobicContact CG-CG 4.21Å; Q465-L469 VanDerWaalsContact O-CB 3.28Å; Q465-L469 WeakPolarHBondContact O-CB 3.46Å; Q465-L469 WeakPolarHBondContact O-CG 3.06Å; Q465-L469 PolarHBondContact O-N 2.85Å; Q465-F484 HydrophobicContact CB-CD2 4.44Å; Q465-F484 HydrophobicContact CB-CE2 4.27Å; Q465-F484 VanDerWaalsContact CD-CE2 3.4Å; Q465-F484 VanDerWaalsContact CD-CZ 3.42Å; Q465-F484 HydrophobicContact CG-CD2 3.83Å; Q465-F484 HydrophobicContact CG-CE2 3.93Å; Q465-F484 HydrophobicContact CG-CG 4.24Å; Q465-F484 HydrophobicContact CG-CZ 4.43Å; Q465-F553 HydrophobicContact CB-CD1 4.5Å; Q465-F553 HydrophobicContact CB-CE1 4.43Å; Q465-F553 HydrophobicContact CG-CE1 4.32Å
466S71.2Confident63.5Low64 Ų6470.9 Ų70.945%0.44840%0.402SS..Hα-helixtrans-60.2-43.7179.568.70000111.9E462 L463 V468 L469 E470E462-S466 PolarHBondContact O-N 3.44Å; L463-S466 WeakPolarHBondContact CA-OG 3.32Å; L463-S466 PolarHBondContact O-N 3.35Å; L463-S466 PolarHBondContact O-OG 2.95Å; S466-V468 PolarHBondContact O-N 2.92Å; S466-L469 CarbonylContact O-C 3.55Å; S466-L469 PolarHBondContact O-N 3.48Å; S466-E470 WeakPolarHBondContact O-CB 3.36Å; S466-E470 PolarHBondContact O-N 3.34Å
467E77.6Confident62.4Low17 Ų1773.5 Ų73.58%0.07941%0.413CS..Hα-helixtrans-61.7-44.2178-72.7176.7-174.600111.9L463 I464 Q465 L469 E470 R584 L585 S586L463-E467 HydrophobicContact CD2-CG 4.37Å; L463-E467 WeakPolarHBondContact CD2-OE1 3.23Å; L463-E467 WeakPolarHBondContact O-CB 3.48Å; L463-E467 VanDerWaalsContact O-CG 3.29Å; L463-E467 WeakPolarHBondContact O-CG 3.36Å; L463-E467 PolarHBondContact O-N 2.81Å; I464-E467 PolarHBondContact O-N 3.33Å; Q465-E467 VanDerWaalsContact C-N 3.34Å; Q465-E467 PolarHBondContact O-N 3.17Å; E467-L469 VanDerWaalsContact C-N 3.29Å; E467-L469 PolarHBondContact O-N 2.96Å; E467-E470 PolarHBondContact O-N 3.28Å; E467-R584 WeakPolarHBondContact O-CB 3.32Å; E467-L585 HydrophobicContact CB-CD2 4.32Å; E467-L585 WeakPolarHBondContact OE2-CA 3.21Å; E467-S586 VanDerWaalsContact CD-OG 3.26Å; E467-S586 WeakPolarHBondContact OE1-CB 3.34Å; E467-S586 PolarHBondContact OE1-OG 2.99Å; E467-S586 PolarHBondContact OE2-N 3.02Å; E467-S586 PolarHBondContact OE2-OG 2.76Å; E467-S586 VanDerWaalsContact OE2-OG 3.12Å
468V71.7Confident61.9Low0 Ų077.3 Ų77.30%044%0.44CS..Hα-helixtrans-67.2-32.8178.3171.40000111.8I464 Q465 S466 K480 F549 F553 L585I464-V468 HydrophobicContact CG2-CG2 4.32Å; I464-V468 WeakPolarHBondContact O-CB 3.39Å; I464-V468 VanDerWaalsContact O-CG2 3.25Å; I464-V468 WeakPolarHBondContact O-CG2 3.47Å; I464-V468 PolarHBondContact O-N 3.36Å; Q465-V468 PolarHBondContact O-N 3.47Å; S466-V468 PolarHBondContact O-N 2.92Å; V468-K480 HydrophobicContact CG1-CD 4.35Å; V468-K480 PolarHBondContact O-NZ 3.48Å; V468-F549 HydrophobicContact CG1-CD1 3.72Å; V468-F549 HydrophobicContact CG1-CE1 3.57Å; V468-F553 HydrophobicContact CB-CE1 4.05Å; V468-F553 HydrophobicContact CG1-CE1 3.89Å; V468-F553 HydrophobicContact CG1-CZ 3.98Å; V468-F553 HydrophobicContact CG2-CE1 4.44Å; V468-L585 HydrophobicContact CG2-CD2 3.66Å
469L67.4Low61.6Low62 Ų6272.6 Ų72.633%0.32541%0.411SS..Hα-helixtrans-88.8-11.3-179.3-64.5-177.6000113.7Q465 S466 E467 N471 K480Q465-L469 HydrophobicContact CG-CD1 3.6Å; Q465-L469 HydrophobicContact CG-CG 4.21Å; Q465-L469 VanDerWaalsContact O-CB 3.28Å; Q465-L469 WeakPolarHBondContact O-CB 3.46Å; Q465-L469 WeakPolarHBondContact O-CG 3.06Å; Q465-L469 PolarHBondContact O-N 2.85Å; S466-L469 CarbonylContact O-C 3.55Å; S466-L469 PolarHBondContact O-N 3.48Å; E467-L469 VanDerWaalsContact C-N 3.29Å; E467-L469 PolarHBondContact O-N 2.96Å; L469-N471 PolarHBondContact O-N 3.44Å; L469-K480 HydrophobicContact CD2-CB 3.48Å; L469-K480 VanDerWaalsContact CD2-CB 3.48Å; L469-K480 HydrophobicContact CD2-CD 3.81Å; L469-K480 HydrophobicContact CD2-CG 4.32Å
470E64.7Low61.6Low112 Ų11269.1 Ų69.152%0.52340%0.396SS..  trans-64.6130.1-174.2-153.5176.2-17600111.6S466 E467 R584S466-E470 WeakPolarHBondContact O-CB 3.36Å; S466-E470 PolarHBondContact O-N 3.34Å; E467-E470 PolarHBondContact O-N 3.28Å; E470-R584 PolarHBondContact O-NH1 3.5Å
471N52.2Low61.8Low130 Ų13073.6 Ų73.670%0.69541%0.409SS*.SBendtrans61.2136.6178.4-62.3-39.9000117.1L469 R584L469-N471 PolarHBondContact O-N 3.44Å; N471-R584 PolarHBondContact O-NH1 3.38Å; N471-R584 PolarHBondContact O-NH2 2.86Å
472E51.2Low61.9Low179 Ų17974.6 Ų74.684%0.83642%0.42SS*.SBendtrans-17.7142-167-70.1178.6154.400119L474E472-L474 PolarHBondContact O-N 3.28Å
473T51.9Low62.1Low128 Ų12867.1 Ų67.179%0.78539%0.385SS*.  trans-22.5117.3175.744.20000113.6A475T473-A475 PolarHBondContact O-N 3.43Å
474L54Low62Low23 Ų2365.5 Ų65.512%0.1238%0.375CS..  trans-53.7109.6159.4-75.6171.7000106.2E472 G476 F477 F549 V577 T580E472-L474 PolarHBondContact O-N 3.28Å; L474-G476 PolarHBondContact O-N 2.84Å; L474-F477 HydrophobicContact CB-CB 4.09Å; L474-F477 HydrophobicContact CB-CD2 4.41Å; L474-F477 PolarHBondContact O-N 3.23Å; L474-F549 HydrophobicContact CD1-CZ 4.35Å; L474-V577 HydrophobicContact CD1-CG1 4.07Å; L474-T580 HydrophobicContact CD2-CG2 4.37Å
475A51.3Low62.2Low93 Ų9370.6 Ų70.677%0.76940%0.397SS*.THydrogen-bonded Turntrans-53.4117.4-174.900000109.5T473 F477T473-A475 PolarHBondContact O-N 3.43Å; A475-F477 WeakPolarHBondContact O-CD2 3.44Å
476G50.4Low62.1Low71 Ų7170.7 Ų70.773%0.73240%0.396SS*.THydrogen-bonded Turntrans93.52.4-178.300000117.1L474L474-G476 PolarHBondContact O-N 2.84Å
477F54.4Low62Low56 Ų5668.1 Ų68.125%0.24638%0.377CS..  trans-134.875.3-173.2-61.4-87.1000114L474 A475 I479 L545L474-F477 HydrophobicContact CB-CB 4.09Å; L474-F477 HydrophobicContact CB-CD2 4.41Å; L474-F477 PolarHBondContact O-N 3.23Å; A475-F477 WeakPolarHBondContact O-CD2 3.44Å; F477-I479 HydrophobicContact CD1-CD1 4.13Å; F477-I479 PolarHBondContact O-N 3.19Å; F477-L545 HydrophobicContact CD1-CD1 4.18Å; F477-L545 HydrophobicContact CE1-CD1 3.92Å; F477-L545 HydrophobicContact CZ-CD1 4.42Å
478P57.6Low61.5Low107 Ų10771.9 Ų71.970%0.69540%0.395SS*.THydrogen-bonded Turntrans-69.88.4175.930.1-35.4000114.5K480P478-K480 VanDerWaalsContact C-N 3.33Å; P478-K480 PolarHBondContact O-N 2.96Å
479I61.2Low61.3Low16 Ų1680.9 Ų80.98%0.08243%0.429CS..Hα-helixtrans-72.9-21.1-161.8-74.1167.6000114.2F477 E481 D482 A483 T542 K546 F549F477-I479 HydrophobicContact CD1-CD1 4.13Å; F477-I479 PolarHBondContact O-N 3.19Å; I479-E481 PolarHBondContact O-N 3.38Å; I479-D482 PolarHBondContact O-N 3.41Å; I479-A483 WeakPolarHBondContact O-CB 3.34Å; I479-A483 PolarHBondContact O-N 3.4Å; I479-T542 HydrophobicContact CD1-CG2 3.24Å; I479-K546 HydrophobicContact CB-CG 4.48Å; I479-K546 HydrophobicContact CD1-CG 4.35Å; I479-K546 HydrophobicContact CG2-CB 4.29Å; I479-K546 HydrophobicContact CG2-CD 4.08Å; I479-K546 HydrophobicContact CG2-CG 3.21Å; I479-F549 HydrophobicContact CG2-CD2 4.4Å
480K64.3Low61.1Low17 Ų1779 Ų797%0.07442%0.418CS..Hα-helixtrans-63.6-41.8-171.9-55.4-176.7-176.3-177.50112.3V468 L469 P478 A483 F484 F549 F553V468-K480 HydrophobicContact CG1-CD 4.35Å; V468-K480 PolarHBondContact O-NZ 3.48Å; L469-K480 HydrophobicContact CD2-CB 3.48Å; L469-K480 VanDerWaalsContact CD2-CB 3.48Å; L469-K480 HydrophobicContact CD2-CD 3.81Å; L469-K480 HydrophobicContact CD2-CG 4.32Å; P478-K480 VanDerWaalsContact C-N 3.33Å; P478-K480 PolarHBondContact O-N 2.96Å; K480-A483 PolarHBondContact O-N 2.77Å; K480-F484 PolarHBondContact O-N 2.86Å; K480-F549 HydrophobicContact CD-CE1 4.4Å; K480-F549 HydrophobicContact CD-CZ 4.19Å; K480-F549 HydrophobicContact CG-CD2 4.36Å; K480-F549 HydrophobicContact CG-CE1 4.19Å; K480-F549 HydrophobicContact CG-CE2 3.88Å; K480-F549 HydrophobicContact CG-CZ 3.8Å; K480-F553 WeakPolarHBondContact O-CE2 3.45Å
481E65.7Low61Low120 Ų12074.7 Ų74.756%0.56140%0.399SS*.Hα-helixtrans-68.2-40.8178.1-71.8-172.3-168.500112.4I479 A483 F484 K485I479-E481 PolarHBondContact O-N 3.38Å; E481-A483 VanDerWaalsContact C-N 3.3Å; E481-A483 PolarHBondContact O-N 2.93Å; E481-F484 PolarHBondContact O-N 2.8Å; E481-K485 WeakPolarHBondContact O-CB 3.15Å; E481-K485 WeakPolarHBondContact O-CG 3.2Å; E481-K485 PolarHBondContact O-N 2.95Å; E481-K485 IonicContact OE2-NZ 2.77Å
482D66Low61.4Low97 Ų9771.3 Ų71.352%0.51939%0.385SS..Hα-helixtrans-63.7-39.9177.2-70.6-21.5000111I479 K485 Y486I479-D482 PolarHBondContact O-N 3.41Å; D482-K485 PolarHBondContact O-N 3.01Å; D482-Y486 PolarHBondContact O-N 3.18Å
483A65.6Low62Low1 Ų168.5 Ų68.51%0.00837%0.37CS..Hα-helixtrans-65.1-41.3175.500000111.8I479 K480 E481 Y486 F487 F549 F550 F553I479-A483 WeakPolarHBondContact O-CB 3.34Å; I479-A483 PolarHBondContact O-N 3.4Å; K480-A483 PolarHBondContact O-N 2.77Å; E481-A483 VanDerWaalsContact C-N 3.3Å; E481-A483 PolarHBondContact O-N 2.93Å; A483-Y486 PolarHBondContact O-N 3.5Å; A483-F487 WeakPolarHBondContact O-CB 3.44Å; A483-F487 PolarHBondContact O-N 2.8Å; A483-F549 HydrophobicContact CB-CB 4.01Å; A483-F550 HydrophobicContact CB-CD1 3.99Å; A483-F550 HydrophobicContact CB-CE1 3.67Å; A483-F550 HydrophobicContact CB-CZ 4Å; A483-F550 WeakPolarHBondContact O-CD1 3.49Å; A483-F550 WeakPolarHBondContact O-CE1 3.4Å; A483-F553 HydrophobicContact CB-CD2 4.15Å; A483-F553 HydrophobicContact CB-CE2 3.86Å
484F68.1Low62.1Low39 Ų3965.4 Ų65.417%0.17135%0.346CS..Hα-helixtrans-65.7-44.2175-175.5-104.9000112.4Q465 K480 E481 Y486 F487 M488 F553Q465-F484 HydrophobicContact CB-CD2 4.44Å; Q465-F484 HydrophobicContact CB-CE2 4.27Å; Q465-F484 VanDerWaalsContact CD-CE2 3.4Å; Q465-F484 VanDerWaalsContact CD-CZ 3.42Å; Q465-F484 HydrophobicContact CG-CD2 3.83Å; Q465-F484 HydrophobicContact CG-CE2 3.93Å; Q465-F484 HydrophobicContact CG-CG 4.24Å; Q465-F484 HydrophobicContact CG-CZ 4.43Å; K480-F484 PolarHBondContact O-N 2.86Å; E481-F484 PolarHBondContact O-N 2.8Å; F484-Y486 VanDerWaalsContact C-N 3.32Å; F484-Y486 PolarHBondContact O-N 3.45Å; F484-F487 HydrophobicContact CD2-CD1 4.34Å; F484-F487 HydrophobicContact CE2-CD1 4.25Å; F484-F487 WeakPolarHBondContact O-CB 3.27Å; F484-F487 PolarHBondContact O-N 2.85Å; F484-M488 HydrophobicContact CD1-CG 4.13Å; F484-M488 HydrophobicContact CE1-CG 3.63Å; F484-M488 HydrophobicContact CE1-SD 4.32Å; F484-M488 HydrophobicContact CE2-CG 4.16Å; F484-M488 HydrophobicContact CE2-SD 4.23Å; F484-M488 HydrophobicContact CZ-CG 3.64Å; F484-M488 HydrophobicContact CZ-SD 3.77Å; F484-M488 WeakPolarHBondContact O-CG 3.48Å; F484-M488 PolarHBondContact O-N 3.03Å; F484-F553 HydrophobicContact CB-CD2 4.09Å; F484-F553 HydrophobicContact CB-CE2 3.95Å; F484-F553 HydrophobicContact CB-CZ 4.41Å; F484-F553 HydrophobicContact CD2-CB 4.48Å; F484-F553 HydrophobicContact CD2-CD1 4.35Å; F484-F553 HydrophobicContact CD2-CD2 4.4Å; F484-F553 HydrophobicContact CD2-CG 4.18Å
485K70.6Confident62.2Low109 Ų10965.7 Ų65.747%0.47435%0.347SS..Hα-helixtrans-60-41.8177-75169.9-172.4158.90112E481 D482 M488 R489E481-K485 WeakPolarHBondContact O-CB 3.15Å; E481-K485 WeakPolarHBondContact O-CG 3.2Å; E481-K485 PolarHBondContact O-N 2.95Å; E481-K485 IonicContact OE2-NZ 2.77Å; D482-K485 PolarHBondContact O-N 3.01Å; K485-M488 PolarHBondContact O-N 3.19Å; K485-R489 WeakPolarHBondContact O-CG 3.47Å; K485-R489 PolarHBondContact O-N 2.83Å
486Y67.4Low62.2Low44 Ų4463.5 Ų63.517%0.17333%0.334CS..Hα-helixtrans-66.4-43175.2165.8-78.7000111.5D482 A483 F484 M488 R489 Y490 F550 S630D482-Y486 PolarHBondContact O-N 3.18Å; A483-Y486 PolarHBondContact O-N 3.5Å; F484-Y486 VanDerWaalsContact C-N 3.32Å; F484-Y486 PolarHBondContact O-N 3.45Å; Y486-M488 VanDerWaalsContact C-N 3.32Å; Y486-M488 PolarHBondContact O-N 2.82Å; Y486-R489 PolarHBondContact O-N 2.81Å; Y486-R489 VanDerWaalsContact O-N 3.15Å; Y486-Y490 WeakPolarHBondContact O-CB 3.48Å; Y486-Y490 PolarHBondContact O-N 2.78Å; Y486-F550 AromaticContact CD1-CD1 3.6Å; Y486-F550 HydrophobicContact CD1-CD1 3.6Å; Y486-F550 AromaticContact CD1-CE1 3.03Å; Y486-F550 HydrophobicContact CD1-CE1 3.03Å; Y486-F550 HydrophobicContact CD1-CE2 4.41Å; Y486-F550 AromaticContact CD1-CZ 3.5Å; Y486-F550 HydrophobicContact CD1-CZ 3.5Å; Y486-F550 VanDerWaalsContact CD1-CZ 3.5Å; Y486-F550 HydrophobicContact CE1-CD1 4.2Å; Y486-F550 AromaticContact CE1-CE1 3.93Å; Y486-F550 HydrophobicContact CE1-CE1 3.93Å; Y486-F550 HydrophobicContact CE1-CZ 4.22Å; Y486-F550 AromaticContact CG-CE1 3.57Å; Y486-F550 HydrophobicContact CG-CE1 3.57Å; Y486-F550 AromaticContact CG-CZ 3.76Å; Y486-F550 HydrophobicContact CG-CZ 3.76Å; Y486-S630 VanDerWaalsContact CD2-CB 3.48Å; Y486-S630 VanDerWaalsContact CE2-CA 3.47Å; Y486-S630 PolarHBondContact OH-O 3.46Å
487F67.9Low62Low10 Ų1061 Ų614%0.04431%0.309CS..Hα-helixtrans-56.3-46.1175168.3-110.6000111.8A483 F484 R489 Y490 N491 F553 A554A483-F487 WeakPolarHBondContact O-CB 3.44Å; A483-F487 PolarHBondContact O-N 2.8Å; F484-F487 HydrophobicContact CD2-CD1 4.34Å; F484-F487 HydrophobicContact CE2-CD1 4.25Å; F484-F487 WeakPolarHBondContact O-CB 3.27Å; F484-F487 PolarHBondContact O-N 2.85Å; F487-R489 VanDerWaalsContact C-N 3.35Å; F487-R489 PolarHBondContact O-N 2.86Å; F487-Y490 PolarHBondContact O-N 2.84Å; F487-N491 VanDerWaalsContact CE1-ND2 3.31Å; F487-N491 WeakPolarHBondContact CE1-ND2 3.27Å; F487-N491 WeakPolarHBondContact CE2-ND2 3.4Å; F487-N491 WeakPolarHBondContact CZ-ND2 3.49Å; F487-N491 PolarHBondContact O-N 2.87Å; F487-F553 HydrophobicContact CB-CB 4.29Å; F487-F553 HydrophobicContact CD1-CB 4.02Å; F487-F553 HydrophobicContact CE1-CB 4.5Å; F487-F553 WeakPolarHBondContact CE1-O 3.33Å; F487-F553 HydrophobicContact CG-CB 4.07Å; F487-F553 WeakPolarHBondContact CZ-O 3.17Å; F487-A554 HydrophobicContact CD2-CB 4.04Å; F487-A554 HydrophobicContact CE2-CB 3.58Å; F487-A554 HydrophobicContact CZ-CB 4.37Å
488M68Low61.3Low96 Ų9664.1 Ų64.147%0.47333%0.334SS..Hα-helixtrans-62.6-39.2176.7-69.8-58.2-68.800112.8F484 K485 Y486 S492F484-M488 HydrophobicContact CD1-CG 4.13Å; F484-M488 HydrophobicContact CE1-CG 3.63Å; F484-M488 HydrophobicContact CE1-SD 4.32Å; F484-M488 HydrophobicContact CE2-CG 4.16Å; F484-M488 HydrophobicContact CE2-SD 4.23Å; F484-M488 HydrophobicContact CZ-CG 3.64Å; F484-M488 HydrophobicContact CZ-SD 3.77Å; F484-M488 WeakPolarHBondContact O-CG 3.48Å; F484-M488 PolarHBondContact O-N 3.03Å; K485-M488 PolarHBondContact O-N 3.19Å; Y486-M488 VanDerWaalsContact C-N 3.32Å; Y486-M488 PolarHBondContact O-N 2.82Å; M488-S492 WeakPolarHBondContact O-CB 3.41Å; M488-S492 PolarHBondContact O-N 3.27Å; M488-S492 PolarHBondContact O-OG 3.19Å
489R67.1Low60.7Low188 Ų18860.8 Ų60.871%0.70932%0.32SS*.Hα-helixtrans-67.3-39.5174.1-75.6179.4-179.8177.40.8112.5K485 Y486 F487 S492 K493K485-R489 WeakPolarHBondContact O-CG 3.47Å; K485-R489 PolarHBondContact O-N 2.83Å; Y486-R489 PolarHBondContact O-N 2.81Å; Y486-R489 VanDerWaalsContact O-N 3.15Å; F487-R489 VanDerWaalsContact C-N 3.35Å; F487-R489 PolarHBondContact O-N 2.86Å; R489-S492 PolarHBondContact O-OG 3.13Å; R489-S492 VanDerWaalsContact O-OG 3.07Å; R489-K493 WeakPolarHBondContact O-CB 3.43Å; R489-K493 PolarHBondContact O-N 3.36Å; R489-K493 VanDerWaalsContact O-N 3.09Å
490Y63.9Low59.8Low23 Ų2364.7 Ų64.79%0.0934%0.336CS..Hα-helixtrans-63.2-48.7177.4176.4-94.7000110.7Y486 F487 K493 F494Y486-Y490 WeakPolarHBondContact O-CB 3.48Å; Y486-Y490 PolarHBondContact O-N 2.78Å; F487-Y490 PolarHBondContact O-N 2.84Å; Y490-K493 PolarHBondContact O-N 2.79Å; Y490-F494 HydrophobicContact CD1-CD2 4.31Å; Y490-F494 HydrophobicContact CD2-CD2 4.33Å; Y490-F494 HydrophobicContact CD2-CE2 4.42Å; Y490-F494 AromaticContact CE1-CD2 3.83Å; Y490-F494 HydrophobicContact CE1-CD2 3.83Å; Y490-F494 HydrophobicContact CE1-CE2 4.01Å; Y490-F494 AromaticContact CE2-CD2 3.86Å; Y490-F494 HydrophobicContact CE2-CD2 3.86Å; Y490-F494 AromaticContact CE2-CE2 3.56Å; Y490-F494 HydrophobicContact CE2-CE2 3.56Å; Y490-F494 AromaticContact CZ-CD2 3.59Å; Y490-F494 AromaticContact CZ-CE2 3.31Å; Y490-F494 PolarHBondContact O-N 2.78Å; Y490-F494 WeakPolarHBondContact OH-CE2 3.38Å
491N62Low58.8Low22 Ų2268.3 Ų68.312%0.11836%0.355CS..Hα-helixtrans-64.8-43177.6-76-11.6000113.2F487 K493 F494 L495 I520F487-N491 VanDerWaalsContact CE1-ND2 3.31Å; F487-N491 WeakPolarHBondContact CE1-ND2 3.27Å; F487-N491 WeakPolarHBondContact CE2-ND2 3.4Å; F487-N491 WeakPolarHBondContact CZ-ND2 3.49Å; F487-N491 PolarHBondContact O-N 2.87Å; N491-K493 PolarHBondContact O-N 2.93Å; N491-F494 PolarHBondContact O-N 3.49Å; N491-F494 VanDerWaalsContact O-N 3.16Å; N491-L495 WeakPolarHBondContact O-CB 3.4Å; N491-L495 PolarHBondContact O-N 2.8Å; N491-I520 HydrophobicContact CB-CD1 3.91Å; N491-I520 WeakPolarHBondContact OD1-CD1 3.33Å
492S61.5Low58Low59 Ų5966.5 Ų66.541%0.41335%0.346SS..Hα-helixtrans-64.5-34.1179.768.80000111.7M488 R489 G496 G497M488-S492 WeakPolarHBondContact O-CB 3.41Å; M488-S492 PolarHBondContact O-N 3.27Å; M488-S492 PolarHBondContact O-OG 3.19Å; R489-S492 PolarHBondContact O-OG 3.13Å; R489-S492 VanDerWaalsContact O-OG 3.07Å; S492-G496 PolarHBondContact O-N 2.71Å; S492-G496 VanDerWaalsContact O-N 3.12Å; S492-G497 PolarHBondContact O-N 3.04Å
493K62.3Low57.1Low120 Ų12066.2 Ų66.252%0.52234%0.344SS..Hα-helixtrans-64.9-48.2170.8-163.6-171-179.6-1490111.1D122 R489 Y490 N491 L495 G496D122-K493 VanDerWaalsContact OD1-CE 3.27Å; D122-K493 WeakPolarHBondContact OD1-CE 3.32Å; D122-K493 IonicContact OD1-NZ 2.9Å; D122-K493 PolarHBondContact OD1-NZ 2.7Å; R489-K493 WeakPolarHBondContact O-CB 3.43Å; R489-K493 PolarHBondContact O-N 3.36Å; R489-K493 VanDerWaalsContact O-N 3.09Å; Y490-K493 PolarHBondContact O-N 2.79Å; N491-K493 PolarHBondContact O-N 2.93Å; K493-L495 VanDerWaalsContact C-N 3.33Å; K493-L495 PolarHBondContact O-N 2.79Å; K493-G496 PolarHBondContact O-N 3.3Å
494F55.8Low55.9Low63 Ų6370 Ų7028%0.27637%0.367SS..Hα-helixtrans-64.3-33.1-179.5-107.5-91.2000113.9Y490 N491 I520Y490-F494 HydrophobicContact CD1-CD2 4.31Å; Y490-F494 HydrophobicContact CD2-CD2 4.33Å; Y490-F494 HydrophobicContact CD2-CE2 4.42Å; Y490-F494 AromaticContact CE1-CD2 3.83Å; Y490-F494 HydrophobicContact CE1-CD2 3.83Å; Y490-F494 HydrophobicContact CE1-CE2 4.01Å; Y490-F494 AromaticContact CE2-CD2 3.86Å; Y490-F494 HydrophobicContact CE2-CD2 3.86Å; Y490-F494 AromaticContact CE2-CE2 3.56Å; Y490-F494 HydrophobicContact CE2-CE2 3.56Å; Y490-F494 AromaticContact CZ-CD2 3.59Å; Y490-F494 AromaticContact CZ-CE2 3.31Å; Y490-F494 PolarHBondContact O-N 2.78Å; Y490-F494 WeakPolarHBondContact OH-CE2 3.38Å; N491-F494 PolarHBondContact O-N 3.49Å; N491-F494 VanDerWaalsContact O-N 3.16Å; F494-I520 HydrophobicContact CB-CD1 3.91Å
495L54.7Low54.5Low28 Ų2870.9 Ų70.915%0.14739%0.387CS..THydrogen-bonded Turntrans-92.2-3.6179.6-70.1172.1000113.7N491 K493 G497 L518 I520N491-L495 WeakPolarHBondContact O-CB 3.4Å; N491-L495 PolarHBondContact O-N 2.8Å; K493-L495 VanDerWaalsContact C-N 3.33Å; K493-L495 PolarHBondContact O-N 2.79Å; L495-G497 WeakPolarHBondContact CB-O 3.44Å; L495-G497 PolarHBondContact O-N 2.77Å; L495-L518 HydrophobicContact CD2-CB 4.5Å; L495-L518 HydrophobicContact CD2-CD2 3.83Å; L495-L518 HydrophobicContact CD2-CG 3.67Å; L495-I520 HydrophobicContact CD1-CD1 3.91Å; L495-I520 HydrophobicContact CD1-CG1 4.12Å; L495-I520 HydrophobicContact CD2-CD1 4.22Å; L495-I520 HydrophobicContact CD2-CG1 3.85Å; L495-I520 HydrophobicContact CG-CD1 3.69Å; L495-I520 HydrophobicContact CG-CG1 3.9Å
496G51.5Low53.3Low48 Ų4872.5 Ų72.550%0.49539%0.394SS..THydrogen-bonded Turntrans61.729.6-174.500000113.8S492 K493 K500S492-G496 PolarHBondContact O-N 2.71Å; S492-G496 VanDerWaalsContact O-N 3.12Å; K493-G496 PolarHBondContact O-N 3.3Å; G496-K500 PolarHBondContact O-NZ 2.65Å
497G47Very low52.6Low19 Ų1978.5 Ų78.520%0.19642%0.417CS..THydrogen-bonded Turntrans124.9-175.6-173.500000113.7S492 L495 G499S492-G497 PolarHBondContact O-N 3.04Å; L495-G497 WeakPolarHBondContact CB-O 3.44Å; L495-G497 PolarHBondContact O-N 2.77Å; G497-G499 PolarHBondContact O-N 2.78Å
498P39.9Very low52.1Low121 Ų12186.8 Ų86.879%0.78646%0.455SS*.THydrogen-bonded Turntrans-60.8125.1171.425.6-31000108.6K500P498-K500 PolarHBondContact O-N 3Å
499G44.1Very low52.2Low37 Ų3788.6 Ų88.638%0.38147%0.467SS..THydrogen-bonded Turntrans-27.4102.1-169.100000114G497 L501G497-G499 PolarHBondContact O-N 2.78Å; G499-L501 PolarHBondContact O-N 3.4Å
500K42.4Very low52.8Low97 Ų9781.9 Ų81.942%0.42245%0.447SS..  trans-78.2123.9-175-80.3171.7178.2160.30109.3G496 P498 F502G496-K500 PolarHBondContact O-NZ 2.65Å; P498-K500 PolarHBondContact O-N 3Å; K500-F502 HydrophobicContact CB-CD1 4.15Å; K500-F502 HydrophobicContact CB-CD2 3.68Å; K500-F502 HydrophobicContact CB-CE1 3.8Å; K500-F502 HydrophobicContact CB-CE2 3.29Å; K500-F502 HydrophobicContact CB-CG 4.13Å; K500-F502 HydrophobicContact CB-CZ 3.37Å; K500-F502 HydrophobicContact CD-CD1 4.41Å; K500-F502 HydrophobicContact CD-CE1 3.42Å; K500-F502 VanDerWaalsContact CD-CE1 3.42Å; K500-F502 HydrophobicContact CD-CE2 4.06Å; K500-F502 HydrophobicContact CD-CZ 3.22Å; K500-F502 HydrophobicContact CG-CE1 4.21Å; K500-F502 HydrophobicContact CG-CE2 4.31Å; K500-F502 HydrophobicContact CG-CZ 3.92Å; K500-F502 VanDerWaalsContact O-CD2 3.32Å; K500-F502 WeakPolarHBondContact O-CD2 3.1Å; K500-F502 PolarHBondContact O-N 3.37Å
501L42.9Very low53.8Low93 Ų9382.3 Ų82.349%0.48745%0.451SS..  trans-69.9111.4155.9-63.1164.3000106.1W385 G499 A516 H517 F654W385-L501 HydrophobicContact CH2-CD2 4.33Å; G499-L501 PolarHBondContact O-N 3.4Å; L501-A516 WeakPolarHBondContact CA-O 3.49Å; L501-A516 WeakPolarHBondContact CD2-O 3.32Å; L501-H517 HydrophobicContact CD2-CB 4.14Å; L501-F654 HydrophobicContact CD1-CZ 4.42Å
502F50.3Low54.8Low83 Ų8383.4 Ų83.436%0.36446%0.456SS..  trans-103.773.8177.7-65.1-83.4000109.5K500 T504 V515K500-F502 HydrophobicContact CB-CD1 4.15Å; K500-F502 HydrophobicContact CB-CD2 3.68Å; K500-F502 HydrophobicContact CB-CE1 3.8Å; K500-F502 HydrophobicContact CB-CE2 3.29Å; K500-F502 HydrophobicContact CB-CG 4.13Å; K500-F502 HydrophobicContact CB-CZ 3.37Å; K500-F502 HydrophobicContact CD-CD1 4.41Å; K500-F502 HydrophobicContact CD-CE1 3.42Å; K500-F502 VanDerWaalsContact CD-CE1 3.42Å; K500-F502 HydrophobicContact CD-CE2 4.06Å; K500-F502 HydrophobicContact CD-CZ 3.22Å; K500-F502 HydrophobicContact CG-CE1 4.21Å; K500-F502 HydrophobicContact CG-CE2 4.31Å; K500-F502 HydrophobicContact CG-CZ 3.92Å; K500-F502 VanDerWaalsContact O-CD2 3.32Å; K500-F502 WeakPolarHBondContact O-CD2 3.1Å; K500-F502 PolarHBondContact O-N 3.37Å; F502-T504 PolarHBondContact O-N 2.68Å; F502-V515 CarbonylContact C-O 3.55Å; F502-V515 VanDerWaalsContact CA-O 3.32Å; F502-V515 WeakPolarHBondContact CA-O 3.15Å; F502-V515 HydrophobicContact CB-CB 4.21Å; F502-V515 HydrophobicContact CD2-CG1 4.32Å; F502-V515 PolarHBondContact N-O 3.29Å; F502-V515 CarbonylContact O-C 3.56Å
503L45.3Very low55.9Low91 Ų9181 Ų8148%0.47644%0.438SS..  trans-71.179161.1-77.9164.3000108.1G505 V653 F654L503-G505 PolarHBondContact O-N 3.05Å; L503-V653 HydrophobicContact CD2-CG2 4.14Å; L503-F654 HydrophobicContact CD1-CE2 4Å
504T42.2Very low56.6Low79 Ų7975.8 Ų75.849%0.48542%0.417SS..  trans-62.4109.8156.844.60000105.1F502 P514F502-T504 PolarHBondContact O-N 2.68Å; T504-P514 VanDerWaalsContact OG1-CB 3.28Å; T504-P514 WeakPolarHBondContact OG1-CB 3.44Å
505G36.9Very low57.6Low58 Ų5874 Ų7460%0.59841%0.412SS*.  trans-48.3150.1176.600000110L503 R507L503-G505 PolarHBondContact O-N 3.05Å; G505-R507 VanDerWaalsContact C-N 3.33Å; G505-R507 PolarHBondContact O-N 3.21Å
506K46.7Very low58.7Low144 Ų14472.8 Ų72.863%0.62641%0.405SS*.  trans-50.194.2-178.5-160.7172.7-169.4170.60109.7Q508 T649K506-Q508 PolarHBondContact O-N 3.47Å; K506-T649 HydrophobicContact CB-CG2 4.03Å; K506-T649 WeakPolarHBondContact CD-OG1 3.31Å; K506-T649 WeakPolarHBondContact CE-OG1 3.48Å; K506-T649 HydrophobicContact CG-CG2 4.11Å; K506-T649 VanDerWaalsContact CG-OG1 3.31Å; K506-T649 WeakPolarHBondContact CG-OG1 3.45Å
507R52.9Low59.9Low170 Ų17072.4 Ų72.464%0.64239%0.39SS*.  trans-72.3112.2169.6-78.4-173.4179.1-177.40.6104.5G505 D509 T510G505-R507 VanDerWaalsContact C-N 3.33Å; G505-R507 PolarHBondContact O-N 3.21Å; R507-D509 PolarHBondContact O-N 3.11Å; R507-T510 HydrophobicContact CB-CG2 3.71Å; R507-T510 PolarHBondContact O-N 3.11Å
508Q57.8Low61.2Low183 Ų18373 Ų7386%0.85539%0.389SS*.THydrogen-bonded Turntrans-59.1-19.5-178.2-71-177.2-15.500112K506K506-Q508 PolarHBondContact O-N 3.47Å
509D69.6Low62.8Low135 Ų13568.3 Ų68.372%0.72236%0.358SS*.THydrogen-bonded Turntrans-10011-171.4-46.4-37000114.5K110 R507K110-D509 PolarHBondContact NZ-O 3.33Å; R507-D509 PolarHBondContact O-N 3.11Å
510T79.6Confident64.1Low46 Ų4667.4 Ų67.428%0.28235%0.345SS..  trans-127140.8178.8-172.90000112.7E107 R507 L512E107-T510 PolarHBondContact OE2-OG1 2.81Å; R507-T510 HydrophobicContact CB-CG2 3.71Å; R507-T510 PolarHBondContact O-N 3.11Å; T510-L512 VanDerWaalsContact C-N 3.26Å; T510-L512 HydrophobicContact CG2-CB 4.41Å; T510-L512 WeakPolarHBondContact OG1-CB 3.17Å; T510-L512 VanDerWaalsContact OG1-CG 3.24Å; T510-L512 WeakPolarHBondContact OG1-CG 3.36Å; T510-L512 PolarHBondContact OG1-N 3.47Å; T510-L512 VanDerWaalsContact OG1-N 3.09Å
511L84.3Confident65.6Low33 Ų3363.3 Ų63.317%0.17333%0.327CS..  trans-80.4-6.7170.3-171.963.6000112.3E103 V104 E107 R406 Q407 A410E103-L511 HydrophobicContact CB-CD2 4.12Å; V104-L511 HydrophobicContact CG2-CD2 4.46Å; E107-L511 HydrophobicContact CG-CB 3.74Å; E107-L511 PolarHBondContact OE1-N 2.79Å; R406-L511 HydrophobicContact CB-CD1 3.86Å; R406-L511 HydrophobicContact CB-CD2 3.94Å; R406-L511 HydrophobicContact CB-CG 4.32Å; Q407-L511 WeakPolarHBondContact CA-O 3.17Å; Q407-L511 WeakPolarHBondContact CB-O 3.46Å; Q407-L511 HydrophobicContact CG-CD1 3.74Å; Q407-L511 HydrophobicContact CG-CG 4.32Å; Q407-L511 VanDerWaalsContact CG-O 3.31Å; Q407-L511 WeakPolarHBondContact CG-O 3.41Å; A410-L511 HydrophobicContact CB-CB 4.25Å; A410-L511 HydrophobicContact CB-CD2 3.65Å; A410-L511 HydrophobicContact CB-CG 3.91Å
512L83.6Confident67.2Low45 Ų4559 Ų5924%0.23631%0.305CS..PPolyproline II helixtrans-74.5145.5-176.9-56.3-179.9000112.6E107 A410 T414 T510E107-L512 HydrophobicContact CB-CD2 4.4Å; E107-L512 HydrophobicContact CG-CD2 4.46Å; A410-L512 HydrophobicContact CB-CD2 4.02Å; T414-L512 HydrophobicContact CG2-CD2 3.91Å; T414-L512 VanDerWaalsContact OG1-CD2 3.25Å; T414-L512 WeakPolarHBondContact OG1-CD2 3.32Å; T510-L512 VanDerWaalsContact C-N 3.26Å; T510-L512 HydrophobicContact CG2-CB 4.41Å; T510-L512 WeakPolarHBondContact OG1-CB 3.17Å; T510-L512 VanDerWaalsContact OG1-CG 3.24Å; T510-L512 WeakPolarHBondContact OG1-CG 3.36Å; T510-L512 PolarHBondContact OG1-N 3.47Å; T510-L512 VanDerWaalsContact OG1-N 3.09Å
513I83.5Confident68.1Low7 Ų755.3 Ų55.34%0.03629%0.289CS..PPolyproline II helixtrans-91.4132175.1-56.9179.2000108.8F400 A403 Q407 T411 Y646 W647F400-I513 HydrophobicContact CD1-CD1 3.75Å; F400-I513 HydrophobicContact CE1-CD1 4.22Å; A403-I513 HydrophobicContact CB-CD1 3.22Å; Q407-I513 HydrophobicContact CB-CD1 3.62Å; Q407-I513 HydrophobicContact CB-CG1 3.68Å; Q407-I513 HydrophobicContact CG-CG1 4.37Å; T411-I513 PolarHBondContact OG1-N 3.03Å; T411-I513 VanDerWaalsContact OG1-N 3.11Å; I513-Y646 HydrophobicContact CB-CD1 4.43Å; I513-Y646 WeakPolarHBondContact O-CD1 3.36Å; I513-W647 VanDerWaalsContact CG2-C 3.48Å; I513-W647 WeakPolarHBondContact CG2-O 3.22Å
514P76.6Confident69.5Low12 Ų1251.1 Ų51.18%0.07827%0.267CS..PPolyproline II helixtrans-66.9147177.929-35.9000111.7T504 A516 Y646 W647 T649T504-P514 VanDerWaalsContact OG1-CB 3.28Å; T504-P514 WeakPolarHBondContact OG1-CB 3.44Å; P514-A516 PolarHBondContact O-N 3.3Å; P514-Y646 WeakPolarHBondContact O-CA 3.43Å; P514-W647 WeakPolarHBondContact CG-O 3.34Å; P514-W647 PolarHBondContact O-N 2.7Å; P514-T649 HydrophobicContact CG-CG2 3.61Å
515V77.6Confident71.5Confident26 Ų2647.4 Ų47.416%0.15825%0.245CC..EExtended strand (participates in β ladder)trans-77.4101.5175.9173.50000109F502 L518 T644 L645 Y646F502-V515 CarbonylContact C-O 3.55Å; F502-V515 VanDerWaalsContact CA-O 3.32Å; F502-V515 WeakPolarHBondContact CA-O 3.15Å; F502-V515 HydrophobicContact CB-CB 4.21Å; F502-V515 HydrophobicContact CD2-CG1 4.32Å; F502-V515 PolarHBondContact N-O 3.29Å; F502-V515 CarbonylContact O-C 3.56Å; V515-L518 HydrophobicContact CG1-CB 4.29Å; V515-T644 HydrophobicContact CB-CG2 4.34Å; V515-T644 HydrophobicContact CG1-CG2 3.66Å; V515-T644 HydrophobicContact CG2-CG2 3.88Å; V515-L645 CarbonylContact C-O 3.58Å; V515-Y646 HydrophobicContact CG2-CD1 3.94Å; V515-Y646 HydrophobicContact CG2-CE1 3.46Å; V515-Y646 VanDerWaalsContact CG2-CE1 3.46Å
516A77.1Confident73.6Confident1 Ų144.6 Ų44.61%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-66-43.3173.800000111.3L501 P514 L645 W647L501-A516 WeakPolarHBondContact CA-O 3.49Å; L501-A516 WeakPolarHBondContact CD2-O 3.32Å; P514-A516 PolarHBondContact O-N 3.3Å; A516-L645 WeakPolarHBondContact CA-O 3.47Å; A516-L645 HydrophobicContact CB-CD2 4.33Å; A516-L645 HydrophobicContact CB-CG 4.23Å; A516-L645 PolarHBondContact N-O 3.39Å; A516-W647 HydrophobicContact CB-CB 3.54Å; A516-W647 HydrophobicContact CB-CE3 4.4Å; A516-W647 HydrophobicContact CB-CG 4.46Å
517H77.6Confident75.4Confident41 Ų4137.8 Ų37.819%0.1919%0.186CC..EExtended strand (participates in β ladder)trans-150.3143.1-178.5-169.173.4000111.9W385 F388 L501 T644 L645W385-H517 HydrophobicContact CH2-CB 3.91Å; W385-H517 HydrophobicContact CZ3-CB 4.09Å; F388-H517 AromaticContact CE1-CD2 3.54Å; F388-H517 AromaticContact CZ-CD2 3.84Å; L501-H517 HydrophobicContact CD2-CB 4.14Å; H517-T644 WeakPolarHBondContact O-CA 3.46Å; H517-L645 HydrophobicContact CB-CB 3.99Å; H517-L645 HydrophobicContact CB-CD2 4.33Å; H517-L645 PolarHBondContact N-O 3.37Å; H517-L645 VanDerWaalsContact N-O 3.12Å; H517-L645 PolarHBondContact O-N 3.14Å
518L73.5Confident77Confident32 Ų3229.7 Ų29.717%0.16816%0.156CC..EExtended strand (participates in β ladder)trans-128.3122.2172.3-179.969.5000108.3L495 V515 P642 T644L495-L518 HydrophobicContact CD2-CB 4.5Å; L495-L518 HydrophobicContact CD2-CD2 3.83Å; L495-L518 HydrophobicContact CD2-CG 3.67Å; V515-L518 HydrophobicContact CG1-CB 4.29Å; L518-P642 HydrophobicContact CD1-CB 3.95Å; L518-T644 HydrophobicContact CD1-CG2 4.3Å; L518-T644 WeakPolarHBondContact CD1-OG1 3.49Å
519C73.5Confident78.4Confident21 Ų2121.1 Ų21.114%0.14212%0.116CC..EExtended strand (participates in β ladder)trans-130.2172.2172.567.80000110.4L392 P642 V643L392-C519 WeakPolarHBondContact CD2-SG 3.27Å; C519-P642 CarbonylContact O-C 3.57Å; C519-P642 WeakPolarHBondContact O-CA 3.47Å; C519-V643 PolarHBondContact N-O 2.82Å; C519-V643 PolarHBondContact O-N 3.44Å
520I72.2Confident79.2Confident19 Ų1914.7 Ų14.710%0.0978%0.082CC..EExtended strand (participates in β ladder)trans-108.9134.4173.6-72.5173.2000107.9Y461 N491 F494 L495 S640 K641Y461-I520 PolarHBondContact OH-O 3.32Å; N491-I520 HydrophobicContact CB-CD1 3.91Å; N491-I520 WeakPolarHBondContact OD1-CD1 3.33Å; F494-I520 HydrophobicContact CB-CD1 3.91Å; L495-I520 HydrophobicContact CD1-CD1 3.91Å; L495-I520 HydrophobicContact CD1-CG1 4.12Å; L495-I520 HydrophobicContact CD2-CD1 4.22Å; L495-I520 HydrophobicContact CD2-CG1 3.85Å; L495-I520 HydrophobicContact CG-CD1 3.69Å; L495-I520 HydrophobicContact CG-CG1 3.9Å; I520-S640 WeakPolarHBondContact CG2-OG 3.41Å; I520-K641 WeakPolarHBondContact CA-O 3.42Å
521K74.2Confident79.5Confident11 Ų1114 Ų145%0.0488%0.076CC..EExtended strand (participates in β ladder)trans-110.4149.3165.271.2177.1169.1-172.70110.2L392 G395 V396 D397 S640 K641 V643L392-K521 WeakPolarHBondContact O-CD 3.35Å; G395-K521 VanDerWaalsContact C-NZ 3.33Å; G395-K521 PolarHBondContact O-NZ 3.06Å; V396-K521 VanDerWaalsContact C-NZ 3.26Å; V396-K521 PolarHBondContact O-NZ 3.04Å; D397-K521 WeakPolarHBondContact OD1-CE 3.28Å; D397-K521 IonicContact OD1-NZ 2.88Å; D397-K521 PolarHBondContact OD1-NZ 2.95Å; K521-S640 CarbonylContact O-C 3.54Å; K521-S640 VanDerWaalsContact O-CA 3.28Å; K521-S640 WeakPolarHBondContact O-CA 3.33Å; K521-K641 HydrophobicContact CG-CB 4.34Å; K521-K641 PolarHBondContact N-O 3.03Å; K521-K641 PolarHBondContact O-N 3.27Å; K521-V643 HydrophobicContact CB-CG2 3.9Å; K521-V643 HydrophobicContact CD-CG2 3.34Å; K521-V643 HydrophobicContact CG-CG2 3.48Å; K521-V643 VanDerWaalsContact CG-CG2 3.48Å
522P75.3Confident79.5Confident3 Ų312.4 Ų12.42%0.0197%0.068CC..EExtended strand (participates in β ladder)trans-60.3143.9163.624.1-34.3000111.2Q453 M457 Y461 A554 G555 N556Q453-P522 VanDerWaalsContact NE2-CB 3.31Å; Q453-P522 VanDerWaalsContact NE2-CG 3.27Å; M457-P522 HydrophobicContact CE-CB 4.43Å; M457-P522 HydrophobicContact CE-CG 3.11Å; M457-P522 HydrophobicContact CG-CG 4.17Å; M457-P522 WeakPolarHBondContact SD-CD 3.22Å; M457-P522 HydrophobicContact SD-CG 3.17Å; M457-P522 WeakPolarHBondContact SD-CG 3.47Å; Y461-P522 WeakPolarHBondContact OH-CD 3.34Å; P522-A554 WeakPolarHBondContact CB-O 3.38Å; P522-G555 WeakPolarHBondContact CB-O 3.48Å; P522-G555 WeakPolarHBondContact CG-O 3.46Å; P522-N556 WeakPolarHBondContact CA-OD1 3.44Å; P522-N556 HydrophobicContact CB-CB 4.2Å; P522-N556 WeakPolarHBondContact CB-OD1 3.03Å
523T70.7Confident79.3Confident5 Ų515.1 Ų15.13%0.0318%0.078CC..  trans-74.7-22.9-176.857.10000114.7I526 N556 L614 C638 K641T523-I526 WeakPolarHBondContact OG1-CD1 3.39Å; T523-N556 PolarHBondContact N-OD1 3.22Å; T523-N556 PolarHBondContact OG1-OD1 3.29Å; T523-L614 WeakPolarHBondContact O-CD1 3.41Å; T523-C638 HydrophobicContact CG2-CB 4.35Å; T523-C638 WeakPolarHBondContact CG2-O 3.35Å; T523-C638 PolarHBondContact OG1-O 2.94Å; T523-K641 HydrophobicContact CG2-CB 4.03Å; T523-K641 HydrophobicContact CG2-CD 3.63Å; T523-K641 HydrophobicContact CG2-CG 3.46Å; T523-K641 VanDerWaalsContact CG2-CG 3.46Å
524G74.9Confident79.2Confident2 Ų216.1 Ų16.12%0.0218%0.083CC..SBendtrans139.3-176-176.300000111.3Q453 I526 N556Q453-G524 VanDerWaalsContact OE1-CA 3.25Å; G524-I526 PolarHBondContact O-N 2.74Å; G524-N556 PolarHBondContact N-OD1 2.93Å; G524-N556 VanDerWaalsContact O-CB 3.29Å; G524-N556 WeakPolarHBondContact O-CB 3.47Å; G524-N556 PolarHBondContact O-OD1 3.4Å
525P82.6Confident79.5Confident1 Ų115.8 Ų15.81%0.0068%0.08CC..PPolyproline II helixtrans-58.7122.7171.8-23.233.7000109.4I446 A449 R450 A557 V559 P613I446-P525 HydrophobicContact CG2-CB 4.33Å; I446-P525 HydrophobicContact CG2-CG 4.3Å; A449-P525 HydrophobicContact CB-CB 4.01Å; A449-P525 HydrophobicContact CB-CG 4.09Å; R450-P525 HydrophobicContact CB-CG 3.83Å; R450-P525 VanDerWaalsContact CD-CD 3.43Å; P525-A557 WeakPolarHBondContact CA-O 3.39Å; P525-A557 HydrophobicContact CB-CB 4.42Å; P525-V559 HydrophobicContact CB-CG2 4.28Å; P525-P613 VanDerWaalsContact O-CB 3.24Å; P525-P613 WeakPolarHBondContact O-CB 3.33Å
526I81.5Confident79.5Confident0 Ų018.4 Ų18.40%010%0.1CC..EExtended strand (participates in β ladder)trans-89.7120.6173.6-52.4-59.7000107.4T523 G524 L528 I551 N556 A557 V559 T615 V617 L639T523-I526 WeakPolarHBondContact OG1-CD1 3.39Å; G524-I526 PolarHBondContact O-N 2.74Å; I526-L528 HydrophobicContact CG2-CD2 4Å; I526-I551 HydrophobicContact CB-CD1 4.05Å; I526-I551 HydrophobicContact CB-CG1 4.33Å; I526-I551 HydrophobicContact CB-CG2 3.85Å; I526-I551 HydrophobicContact CG1-CG1 4.24Å; I526-I551 HydrophobicContact CG1-CG2 3.56Å; I526-I551 HydrophobicContact CG2-CD1 3.84Å; I526-I551 HydrophobicContact CG2-CG1 4.37Å; I526-N556 HydrophobicContact CG1-CB 4Å; I526-A557 PolarHBondContact N-O 2.75Å; I526-V559 PolarHBondContact O-N 3.02Å; I526-T615 HydrophobicContact CD1-CG2 3.97Å; I526-T615 HydrophobicContact CG2-CG2 4.04Å; I526-V617 HydrophobicContact CG2-CG2 4.07Å; I526-L639 HydrophobicContact CG1-CD2 4.47Å
527V85.3Confident79.5Confident0 Ų023.4 Ų23.40%012%0.123CC..EExtended strand (participates in β ladder)trans-88.9119.4174.2170.50000108.9I446 V529 V559 L561 L607 P613 T615 V616 V617I446-V527 HydrophobicContact CD1-CG2 4.27Å; I446-V527 HydrophobicContact CG1-CG2 4.13Å; V527-V529 HydrophobicContact CG1-CG2 4Å; V527-V559 CarbonylContact C-O 3.58Å; V527-V559 WeakPolarHBondContact CA-O 3.39Å; V527-V559 HydrophobicContact CG2-CB 3.86Å; V527-V559 HydrophobicContact CG2-CG1 4.14Å; V527-V559 HydrophobicContact CG2-CG2 4.46Å; V527-L561 HydrophobicContact CG1-CD1 3.51Å; V527-L561 HydrophobicContact CG1-CG 3.8Å; V527-L607 HydrophobicContact CG1-CD1 3.87Å; V527-L607 HydrophobicContact CG1-CD2 4.35Å; V527-L607 HydrophobicContact CG2-CD2 4.49Å; V527-P613 HydrophobicContact CB-CB 4.28Å; V527-P613 HydrophobicContact CB-CG 3.96Å; V527-P613 HydrophobicContact CG2-CB 3.72Å; V527-P613 HydrophobicContact CG2-CG 3.5Å; V527-P613 VanDerWaalsContact CG2-CG 3.5Å; V527-T615 PolarHBondContact N-O 2.88Å; V527-V616 HydrophobicContact CB-CG2 4.37Å; V527-V616 HydrophobicContact CG1-CG1 4.32Å; V527-V616 CarbonylContact O-C 3.57Å; V527-V616 WeakPolarHBondContact O-CA 3.47Å; V527-V617 PolarHBondContact O-N 3.43Å
528L86.9Confident79.6Confident0 Ų026.4 Ų26.40%015%0.146CC..EExtended strand (participates in β ladder)trans-102113.9170.1-56.8-175.7000108.2I526 I530 L547 V548 I551 V558 V559 L560 L561 V617I526-L528 HydrophobicContact CG2-CD2 4Å; L528-I530 HydrophobicContact CB-CD1 4.33Å; L528-I530 HydrophobicContact CB-CG1 4.32Å; L528-L547 HydrophobicContact CD1-CD2 3.86Å; L528-L547 HydrophobicContact CD1-CG 4.25Å; L528-L547 HydrophobicContact CD2-CD2 3.65Å; L528-L547 HydrophobicContact CD2-CG 4.42Å; L528-L547 HydrophobicContact CG-CD2 4.43Å; L528-V548 HydrophobicContact CD1-CG2 4.3Å; L528-I551 HydrophobicContact CD1-CD1 3.85Å; L528-I551 HydrophobicContact CD2-CD1 3.93Å; L528-I551 HydrophobicContact CG-CD1 4.1Å; L528-V558 HydrophobicContact CD1-CG1 4.1Å; L528-V558 HydrophobicContact CG-CG1 4.35Å; L528-V559 PolarHBondContact N-O 2.75Å; L528-L560 HydrophobicContact CB-CD2 3.89Å; L528-L560 HydrophobicContact CD1-CD2 3.7Å; L528-L560 HydrophobicContact CG-CD2 4.17Å; L528-L561 PolarHBondContact O-N 2.88Å; L528-V617 HydrophobicContact CD2-CB 3.57Å; L528-V617 HydrophobicContact CD2-CG1 4.24Å; L528-V617 HydrophobicContact CD2-CG2 3.72Å
529V86.1Confident79.9Confident3 Ų331.1 Ų31.12%0.01817%0.165CC..EExtended strand (participates in β ladder)trans-92.6116.6172.8-168.30000108V527 L561 T563 L600 I603 L607 V616 V617 N618 L619V527-V529 HydrophobicContact CG1-CG2 4Å; V529-L561 WeakPolarHBondContact CA-O 3.17Å; V529-L561 HydrophobicContact CG1-CB 4.5Å; V529-L561 HydrophobicContact CG2-CB 4.42Å; V529-L561 HydrophobicContact CG2-CD1 4.36Å; V529-T563 HydrophobicContact CG1-CG2 4.08Å; V529-L600 HydrophobicContact CB-CD1 4.4Å; V529-L600 HydrophobicContact CG1-CD1 3.43Å; V529-L600 VanDerWaalsContact CG1-CD1 3.43Å; V529-I603 HydrophobicContact CG2-CG2 4.48Å; V529-L607 HydrophobicContact CG2-CD1 4Å; V529-V616 HydrophobicContact CG2-CG1 3.83Å; V529-V617 PolarHBondContact N-O 2.83Å; V529-N618 VanDerWaalsContact CB-OD1 3.28Å; V529-N618 WeakPolarHBondContact CB-OD1 3.31Å; V529-N618 WeakPolarHBondContact CG2-OD1 3.34Å; V529-L619 WeakPolarHBondContact O-CB 3.33Å; V529-L619 PolarHBondContact O-N 3.25Å
530I87.3Confident80.5Confident1 Ų130.3 Ų30.31%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-116.7125.5-171.1-60.3166.2000108.9L528 C532 L535 V544 L560 L561 M562 T563 L619L528-I530 HydrophobicContact CB-CD1 4.33Å; L528-I530 HydrophobicContact CB-CG1 4.32Å; I530-C532 PolarHBondContact O-N 3.12Å; I530-L535 HydrophobicContact CG2-CD1 3.83Å; I530-L535 HydrophobicContact CG2-CD2 4.01Å; I530-L535 HydrophobicContact CG2-CG 3.94Å; I530-V544 HydrophobicContact CD1-CG1 3.84Å; I530-L560 HydrophobicContact CD1-CD2 3.9Å; I530-L561 PolarHBondContact N-O 2.9Å; I530-M562 HydrophobicContact CB-SD 4.02Å; I530-M562 HydrophobicContact CD1-SD 3.87Å; I530-M562 HydrophobicContact CG1-SD 4.49Å; I530-M562 HydrophobicContact CG2-SD 4.37Å; I530-T563 PolarHBondContact O-N 2.99Å; I530-T563 PolarHBondContact O-OG1 3.46Å; I530-L619 HydrophobicContact CG1-CB 4.47Å; I530-L619 HydrophobicContact CG1-CD1 4Å
531D85Confident81Confident30 Ų3030 Ų3016%0.1616%0.159CC..EExtended strand (participates in β ladder)trans-80110.2164.2-170.6-16.5000109.1K533 L534 T563 N564D531-K533 PolarHBondContact O-N 2.75Å; D531-K533 VanDerWaalsContact O-N 3.08Å; D531-K533 WeakPolarHBondContact OD1-CB 3.5Å; D531-K533 WeakPolarHBondContact OD1-CG 3.3Å; D531-K533 PolarHBondContact OD1-N 3.08Å; D531-L534 HydrophobicContact CB-CD1 4.23Å; D531-L534 HydrophobicContact CB-CG 4.32Å; D531-L534 WeakPolarHBondContact O-CB 3.35Å; D531-L534 PolarHBondContact O-N 3.26Å; D531-T563 WeakPolarHBondContact CA-OG1 3.09Å; D531-N564 WeakPolarHBondContact OD1-CB 3.4Å; D531-N564 PolarHBondContact OD1-ND2 3.28Å; D531-N564 PolarHBondContact OD2-ND2 3.1Å; D531-N564 VanDerWaalsContact OD2-ND2 3.13Å
532C83.6Confident81.2Confident1 Ų131.3 Ų31.31%0.00717%0.168CC..G310 helixtrans-60.3-21.4-177-72.30000113.7I530 L534 L535 M562 T563 N565 I568I530-C532 PolarHBondContact O-N 3.12Å; C532-L534 PolarHBondContact O-N 3.01Å; C532-L535 WeakPolarHBondContact O-CB 3.39Å; C532-L535 PolarHBondContact O-N 2.86Å; C532-L535 VanDerWaalsContact O-N 3.14Å; C532-M562 VanDerWaalsContact SG-CE 3.51Å; C532-T563 WeakPolarHBondContact CB-O 3.35Å; C532-T563 PolarHBondContact N-O 2.6Å; C532-T563 PolarHBondContact SG-O 3.21Å; C532-N565 PolarHBondContact SG-OD1 2.99Å; C532-I568 HydrophobicContact CB-CD1 4.08Å; C532-I568 HydrophobicContact CB-CG1 3.67Å
533K81.2Confident81.6Confident102 Ų10231.9 Ų31.944%0.44317%0.17SC..G310 helixtrans-58.5-36.3173.8-62.9-172.3-152.8-164.10112.3D531 L535 S536 N564 L567D531-K533 PolarHBondContact O-N 2.75Å; D531-K533 VanDerWaalsContact O-N 3.08Å; D531-K533 WeakPolarHBondContact OD1-CB 3.5Å; D531-K533 WeakPolarHBondContact OD1-CG 3.3Å; D531-K533 PolarHBondContact OD1-N 3.08Å; K533-L535 PolarHBondContact O-N 2.9Å; K533-S536 PolarHBondContact O-N 2.76Å; K533-S536 PolarHBondContact O-OG 2.89Å; K533-N564 WeakPolarHBondContact CE-ND2 3.24Å; K533-N564 HydrophobicContact CG-CB 4.19Å; K533-L567 HydrophobicContact CD-CD1 3.56Å; K533-L567 HydrophobicContact CG-CB 4.11Å; K533-L567 HydrophobicContact CG-CD1 3.44Å; K533-L567 VanDerWaalsContact CG-CD1 3.44Å; K533-L567 HydrophobicContact CG-CG 4.41Å
534L80.7Confident82.3Confident28 Ų2831.6 Ų31.615%0.14717%0.169CC..G310 helixtrans-75.3-14.6-177.1-59.3178.5000112.3D531 C532 S536 N540 V622 F625D531-L534 HydrophobicContact CB-CD1 4.23Å; D531-L534 HydrophobicContact CB-CG 4.32Å; D531-L534 WeakPolarHBondContact O-CB 3.35Å; D531-L534 PolarHBondContact O-N 3.26Å; C532-L534 PolarHBondContact O-N 3.01Å; L534-S536 VanDerWaalsContact C-N 3.26Å; L534-S536 PolarHBondContact O-N 3.24Å; L534-N540 WeakPolarHBondContact O-CB 3.42Å; L534-N540 PolarHBondContact O-ND2 3.31Å; L534-V622 HydrophobicContact CD2-CG2 3.89Å; L534-F625 HydrophobicContact CB-CE2 4.16Å; L534-F625 HydrophobicContact CB-CZ 4.49Å; L534-F625 HydrophobicContact CD1-CE2 3.79Å
535L82.1Confident82.9Confident4 Ų431.7 Ų31.72%0.02117%0.169CC..G310 helixtrans-82.90.6178-57.8-179.6000113.8I530 C532 K533 E537 C541 V544 M562 N572 L574I530-L535 HydrophobicContact CG2-CD1 3.83Å; I530-L535 HydrophobicContact CG2-CD2 4.01Å; I530-L535 HydrophobicContact CG2-CG 3.94Å; C532-L535 WeakPolarHBondContact O-CB 3.39Å; C532-L535 PolarHBondContact O-N 2.86Å; C532-L535 VanDerWaalsContact O-N 3.14Å; K533-L535 PolarHBondContact O-N 2.9Å; L535-E537 PolarHBondContact O-N 3.22Å; L535-C541 PolarHBondContact O-SG 3.39Å; L535-V544 HydrophobicContact CD2-CG2 4Å; L535-M562 HydrophobicContact CD1-CE 3.73Å; L535-N572 VanDerWaalsContact CB-ND2 3.34Å; L535-N572 WeakPolarHBondContact CB-ND2 3.34Å; L535-L574 HydrophobicContact CD1-CD2 3.59Å; L535-L574 HydrophobicContact CD2-CD2 4.04Å; L535-L574 HydrophobicContact CG-CD2 4.43Å
536S77.7Confident82.8Confident81 Ų8135 Ų3557%0.56618%0.183SC*.G310 helixtrans-64-27.5171.252.80000112.3K533 L534K533-S536 PolarHBondContact O-N 2.76Å; K533-S536 PolarHBondContact O-OG 2.89Å; L534-S536 VanDerWaalsContact C-N 3.26Å; L534-S536 PolarHBondContact O-N 3.24Å
537E78.7Confident82.9Confident107 Ų10735 Ų3550%0.518%0.183SC..SBendtrans-89.3125.4175.8-63.9-172.2173.400112.2L535 K539 N540 C541L535-E537 PolarHBondContact O-N 3.22Å; E537-K539 PolarHBondContact O-N 2.81Å; E537-K539 VanDerWaalsContact O-N 3.1Å; E537-N540 PolarHBondContact O-N 3.21Å; E537-N540 PolarHBondContact OE2-ND2 3.25Å; E537-C541 PolarHBondContact O-N 2.85Å
538P79Confident83Confident104 Ų10435 Ų3568%0.67518%0.183SC*.Hα-helixtrans-57.6-30-179.6-27.334.5000114.9N540 C541 T542P538-N540 VanDerWaalsContact C-N 3.3Å; P538-N540 PolarHBondContact O-N 3.41Å; P538-C541 PolarHBondContact O-N 2.74Å; P538-T542 WeakPolarHBondContact O-CB 3.47Å; P538-T542 PolarHBondContact O-N 2.99Å; P538-T542 PolarHBondContact O-OG1 3.11Å
539K80.4Confident82.8Confident130 Ų13035.2 Ų35.257%0.56518%0.184SC*.Hα-helixtrans-63.1-37.7176.7-173.5-173.6173.7-164.60111.4E537 T542 F543 F625E537-K539 PolarHBondContact O-N 2.81Å; E537-K539 VanDerWaalsContact O-N 3.1Å; K539-T542 WeakPolarHBondContact O-CB 3.46Å; K539-T542 PolarHBondContact O-N 3.23Å; K539-F543 PolarHBondContact O-N 3.26Å; K539-F625 PolarHBondContact NZ-O 3.5Å
540N84.6Confident82.5Confident5 Ų535.6 Ų35.63%0.02719%0.185CC..Hα-helixtrans-73.8-40.9-178.1-61.1-11.5000110.4L534 E537 P538 T542 F543 V544 F625L534-N540 WeakPolarHBondContact O-CB 3.42Å; L534-N540 PolarHBondContact O-ND2 3.31Å; E537-N540 PolarHBondContact O-N 3.21Å; E537-N540 PolarHBondContact OE2-ND2 3.25Å; P538-N540 VanDerWaalsContact C-N 3.3Å; P538-N540 PolarHBondContact O-N 3.41Å; N540-T542 VanDerWaalsContact C-N 3.27Å; N540-T542 PolarHBondContact O-N 2.88Å; N540-F543 WeakPolarHBondContact O-CB 3.43Å; N540-F543 PolarHBondContact O-N 3.26Å; N540-F543 VanDerWaalsContact O-N 3.15Å; N540-V544 WeakPolarHBondContact O-CG2 3.49Å; N540-V544 PolarHBondContact O-N 3.45Å; N540-F625 HydrophobicContact CB-CD1 3.76Å; N540-F625 HydrophobicContact CB-CE1 3.86Å; N540-F625 HydrophobicContact CB-CG 4.17Å; N540-F625 HydrophobicContact CB-CZ 4.36Å; N540-F625 WeakPolarHBondContact OD1-CB 3.28Å; N540-F625 WeakPolarHBondContact OD1-CG 3.45Å
541C82.7Confident82.3Confident13 Ų1335.6 Ų35.69%0.08819%0.185CC..Hα-helixtrans-56.8-42.8170-66.60000111.9L535 E537 P538 F543 V544 L545L535-C541 PolarHBondContact O-SG 3.39Å; E537-C541 PolarHBondContact O-N 2.85Å; P538-C541 PolarHBondContact O-N 2.74Å; C541-F543 VanDerWaalsContact C-N 3.34Å; C541-F543 PolarHBondContact O-N 3.02Å; C541-V544 PolarHBondContact O-N 2.97Å; C541-L545 WeakPolarHBondContact O-CB 2.99Å; C541-L545 WeakPolarHBondContact O-CG 3.49Å; C541-L545 PolarHBondContact O-N 3.13Å
542T79.9Confident82.2Confident38 Ų3834.2 Ų34.223%0.23318%0.178CC..Hα-helixtrans-62.6-41.6177.4-57.80000111.8I479 P538 K539 N540 L545 K546I479-T542 HydrophobicContact CD1-CG2 3.24Å; P538-T542 WeakPolarHBondContact O-CB 3.47Å; P538-T542 PolarHBondContact O-N 2.99Å; P538-T542 PolarHBondContact O-OG1 3.11Å; K539-T542 WeakPolarHBondContact O-CB 3.46Å; K539-T542 PolarHBondContact O-N 3.23Å; N540-T542 VanDerWaalsContact C-N 3.27Å; N540-T542 PolarHBondContact O-N 2.88Å; T542-L545 PolarHBondContact O-N 2.92Å; T542-K546 WeakPolarHBondContact O-CG 3.22Å; T542-K546 PolarHBondContact O-N 3.34Å
543F82.3Confident82Confident14 Ų1434.3 Ų34.36%0.06118%0.178CC..Hα-helixtrans-64.5-46.4176.6-176-83.6000111.9K539 N540 C541 L545 K546 L547 V624 F625 L629 Y632K539-F543 PolarHBondContact O-N 3.26Å; N540-F543 WeakPolarHBondContact O-CB 3.43Å; N540-F543 PolarHBondContact O-N 3.26Å; N540-F543 VanDerWaalsContact O-N 3.15Å; C541-F543 VanDerWaalsContact C-N 3.34Å; C541-F543 PolarHBondContact O-N 3.02Å; F543-L545 VanDerWaalsContact C-N 3.34Å; F543-L545 PolarHBondContact O-N 3.42Å; F543-K546 WeakPolarHBondContact O-CB 3.42Å; F543-K546 PolarHBondContact O-N 3.49Å; F543-L547 PolarHBondContact O-N 2.93Å; F543-V624 HydrophobicContact CE1-CG1 3.9Å; F543-V624 HydrophobicContact CZ-CG1 3.98Å; F543-V624 WeakPolarHBondContact CZ-O 3.39Å; F543-F625 HydrophobicContact CB-CD1 3.89Å; F543-F625 HydrophobicContact CB-CE1 4.41Å; F543-F625 AromaticContact CD1-CD1 3.63Å; F543-F625 HydrophobicContact CD1-CD1 3.63Å; F543-F625 AromaticContact CD1-CE1 3.81Å; F543-F625 HydrophobicContact CD1-CE1 3.81Å; F543-F625 HydrophobicContact CE1-CD1 4.21Å; F543-F625 HydrophobicContact CE1-CE1 4.4Å; F543-F625 AromaticContact CG-CD1 3.79Å; F543-F625 HydrophobicContact CG-CD1 3.79Å; F543-F625 HydrophobicContact CG-CE1 4.35Å; F543-L629 HydrophobicContact CD1-CD1 4.3Å; F543-L629 HydrophobicContact CD2-CB 4.23Å; F543-L629 HydrophobicContact CD2-CD1 4.02Å; F543-L629 HydrophobicContact CD2-CD2 4.44Å; F543-L629 HydrophobicContact CD2-CG 4.48Å; F543-L629 HydrophobicContact CE1-CD1 3.77Å; F543-L629 HydrophobicContact CE2-CB 3.88Å; F543-L629 HydrophobicContact CE2-CD1 3.46Å; F543-L629 VanDerWaalsContact CE2-CD1 3.46Å; F543-L629 HydrophobicContact CE2-CG 4.16Å; F543-L629 HydrophobicContact CG-CD1 4.42Å; F543-L629 HydrophobicContact CZ-CD1 3.34Å; F543-L629 HydrophobicContact CZ-CG 4.48Å; F543-Y632 HydrophobicContact CE1-CD1 4.36Å; F543-Y632 HydrophobicContact CE1-CE1 4.37Å; F543-Y632 AromaticContact CZ-CD1 3.59Å; F543-Y632 HydrophobicContact CZ-CD1 3.59Å; F543-Y632 AromaticContact CZ-CE1 3.92Å; F543-Y632 HydrophobicContact CZ-CE1 3.92Å; F543-Y632 HydrophobicContact CZ-CG 4.46Å
544V86.8Confident81.7Confident0 Ų029.4 Ų29.40%016%0.157CC..Hα-helixtrans-60.3-44.8176.6174.30000110.7I530 L535 N540 C541 K546 L547 V548 L574 L619 F625I530-V544 HydrophobicContact CD1-CG1 3.84Å; L535-V544 HydrophobicContact CD2-CG2 4Å; N540-V544 WeakPolarHBondContact O-CG2 3.49Å; N540-V544 PolarHBondContact O-N 3.45Å; C541-V544 PolarHBondContact O-N 2.97Å; V544-K546 PolarHBondContact O-N 3.15Å; V544-L547 WeakPolarHBondContact O-CB 3.34Å; V544-L547 PolarHBondContact O-N 2.97Å; V544-L547 VanDerWaalsContact O-N 3.11Å; V544-V548 HydrophobicContact CG1-CG2 4.35Å; V544-V548 WeakPolarHBondContact O-CG2 3.43Å; V544-V548 PolarHBondContact O-N 3.49Å; V544-L574 HydrophobicContact CG1-CD1 4.46Å; V544-L574 HydrophobicContact CG1-CD2 4.2Å; V544-L619 HydrophobicContact CG2-CD1 4.12Å; V544-F625 HydrophobicContact CG2-CE1 4.1Å
545L85.8Confident81.6Confident3 Ų328.1 Ų28.12%0.01615%0.151CC..Hα-helixtrans-61.1-43.2176.8-76.5168.8000112.6F477 C541 T542 F543 L547 V548 F549 L574 V577 I578 I581F477-L545 HydrophobicContact CD1-CD1 4.18Å; F477-L545 HydrophobicContact CE1-CD1 3.92Å; F477-L545 HydrophobicContact CZ-CD1 4.42Å; C541-L545 WeakPolarHBondContact O-CB 2.99Å; C541-L545 WeakPolarHBondContact O-CG 3.49Å; C541-L545 PolarHBondContact O-N 3.13Å; T542-L545 PolarHBondContact O-N 2.92Å; F543-L545 VanDerWaalsContact C-N 3.34Å; F543-L545 PolarHBondContact O-N 3.42Å; L545-L547 VanDerWaalsContact C-N 3.26Å; L545-L547 PolarHBondContact O-N 2.93Å; L545-V548 PolarHBondContact O-N 2.9Å; L545-F549 HydrophobicContact CB-CE2 4.42Å; L545-F549 WeakPolarHBondContact O-CD2 3.04Å; L545-F549 WeakPolarHBondContact O-CG 3.26Å; L545-F549 PolarHBondContact O-N 2.83Å; L545-L574 HydrophobicContact CD1-CD1 4.01Å; L545-L574 HydrophobicContact CD2-CD1 3.68Å; L545-L574 HydrophobicContact CG-CD1 3.47Å; L545-L574 VanDerWaalsContact CG-CD1 3.47Å; L545-V577 HydrophobicContact CD1-CG1 4.05Å; L545-V577 HydrophobicContact CD2-CB 4.37Å; L545-V577 HydrophobicContact CD2-CG1 3.65Å; L545-I578 HydrophobicContact CD2-CD1 4.01Å; L545-I581 HydrophobicContact CD2-CD1 4.32Å
546K81.7Confident81.6Confident71 Ų7128 Ų2831%0.30915%0.15SC..Hα-helixtrans-56-45.7173-78.1178.3179.1-170.20111I479 T542 F543 V544 F549 F550 L629I479-K546 HydrophobicContact CB-CG 4.48Å; I479-K546 HydrophobicContact CD1-CG 4.35Å; I479-K546 HydrophobicContact CG2-CB 4.29Å; I479-K546 HydrophobicContact CG2-CD 4.08Å; I479-K546 HydrophobicContact CG2-CG 3.21Å; T542-K546 WeakPolarHBondContact O-CG 3.22Å; T542-K546 PolarHBondContact O-N 3.34Å; F543-K546 WeakPolarHBondContact O-CB 3.42Å; F543-K546 PolarHBondContact O-N 3.49Å; V544-K546 PolarHBondContact O-N 3.15Å; K546-F549 PolarHBondContact O-N 3.12Å; K546-F550 HydrophobicContact CB-CD2 4.46Å; K546-F550 HydrophobicContact CB-CE2 4.29Å; K546-F550 WeakPolarHBondContact O-CD2 3.32Å; K546-F550 WeakPolarHBondContact O-CG 3.1Å; K546-F550 PolarHBondContact O-N 3.32Å; K546-L629 HydrophobicContact CB-CD2 3.13Å; K546-L629 HydrophobicContact CD-CD2 3.71Å; K546-L629 HydrophobicContact CG-CD2 3.97Å
547L82.6Confident82.1Confident1 Ų124.1 Ų24.11%0.00512%0.123CC..Hα-helixtrans-61.7-46.2179.6-163.262.3000112L528 F543 V544 L545 F549 F550 I551 L619 L629 I633 F637L528-L547 HydrophobicContact CD1-CD2 3.86Å; L528-L547 HydrophobicContact CD1-CG 4.25Å; L528-L547 HydrophobicContact CD2-CD2 3.65Å; L528-L547 HydrophobicContact CD2-CG 4.42Å; L528-L547 HydrophobicContact CG-CD2 4.43Å; F543-L547 PolarHBondContact O-N 2.93Å; V544-L547 WeakPolarHBondContact O-CB 3.34Å; V544-L547 PolarHBondContact O-N 2.97Å; V544-L547 VanDerWaalsContact O-N 3.11Å; L545-L547 VanDerWaalsContact C-N 3.26Å; L545-L547 PolarHBondContact O-N 2.93Å; L547-F549 VanDerWaalsContact C-N 3.32Å; L547-F549 PolarHBondContact O-N 3.02Å; L547-F550 PolarHBondContact O-N 3.32Å; L547-I551 HydrophobicContact CG-CD1 4.04Å; L547-I551 WeakPolarHBondContact O-CD1 3.42Å; L547-I551 VanDerWaalsContact O-CG1 3.22Å; L547-I551 WeakPolarHBondContact O-CG1 3.37Å; L547-I551 PolarHBondContact O-N 3.32Å; L547-L619 HydrophobicContact CD2-CD1 4.1Å; L547-L629 HydrophobicContact CD1-CD1 4.07Å; L547-I633 HydrophobicContact CD1-CD1 3.77Å; L547-I633 HydrophobicContact CD1-CG1 3.65Å; L547-F637 HydrophobicContact CD1-CE2 4.43Å; L547-F637 HydrophobicContact CD1-CZ 3.62Å; L547-F637 HydrophobicContact CG-CZ 4.4Å
548V87.9Confident82.7Confident0 Ų019 Ų190%010%0.099CC..Hα-helixtrans-55.7-47.8174.2171.20000110.6L528 V544 L545 F550 I551 L552 V558 L560 I578 I591L528-V548 HydrophobicContact CD1-CG2 4.3Å; V544-V548 HydrophobicContact CG1-CG2 4.35Å; V544-V548 WeakPolarHBondContact O-CG2 3.43Å; V544-V548 PolarHBondContact O-N 3.49Å; L545-V548 PolarHBondContact O-N 2.9Å; V548-F550 PolarHBondContact O-N 3.11Å; V548-I551 PolarHBondContact O-N 2.71Å; V548-L552 HydrophobicContact CG1-CD1 3.78Å; V548-L552 HydrophobicContact CG1-CG 4.41Å; V548-L552 WeakPolarHBondContact O-CB 3.32Å; V548-L552 VanDerWaalsContact O-CG 3.27Å; V548-L552 WeakPolarHBondContact O-CG 3.47Å; V548-L552 PolarHBondContact O-N 2.78Å; V548-V558 HydrophobicContact CG1-CG2 4.34Å; V548-V558 HydrophobicContact CG2-CG1 4.3Å; V548-L560 HydrophobicContact CG2-CD2 4.15Å; V548-I578 HydrophobicContact CG1-CD1 4.11Å; V548-I578 HydrophobicContact CG2-CD1 4.22Å; V548-I591 HydrophobicContact CG1-CD1 4.2Å
549F83.4Confident83.3Confident3 Ų314.1 Ų14.11%0.0137%0.067CC..Hα-helixtrans-63-42.1177.7-70-50000112.8V468 L474 I479 K480 A483 L545 K546 L547 I551 L552 F553 I581V468-F549 HydrophobicContact CG1-CD1 3.72Å; V468-F549 HydrophobicContact CG1-CE1 3.57Å; L474-F549 HydrophobicContact CD1-CZ 4.35Å; I479-F549 HydrophobicContact CG2-CD2 4.4Å; K480-F549 HydrophobicContact CD-CE1 4.4Å; K480-F549 HydrophobicContact CD-CZ 4.19Å; K480-F549 HydrophobicContact CG-CD2 4.36Å; K480-F549 HydrophobicContact CG-CE1 4.19Å; K480-F549 HydrophobicContact CG-CE2 3.88Å; K480-F549 HydrophobicContact CG-CZ 3.8Å; A483-F549 HydrophobicContact CB-CB 4.01Å; L545-F549 HydrophobicContact CB-CE2 4.42Å; L545-F549 WeakPolarHBondContact O-CD2 3.04Å; L545-F549 WeakPolarHBondContact O-CG 3.26Å; L545-F549 PolarHBondContact O-N 2.83Å; K546-F549 PolarHBondContact O-N 3.12Å; L547-F549 VanDerWaalsContact C-N 3.32Å; L547-F549 PolarHBondContact O-N 3.02Å; F549-I551 VanDerWaalsContact C-N 3.33Å; F549-I551 PolarHBondContact O-N 2.88Å; F549-L552 PolarHBondContact O-N 2.92Å; F549-F553 HydrophobicContact CB-CD2 4.25Å; F549-F553 HydrophobicContact CB-CE2 3.87Å; F549-F553 HydrophobicContact CB-CZ 4.42Å; F549-F553 HydrophobicContact CD1-CZ 4.46Å; F549-F553 WeakPolarHBondContact O-CB 3.39Å; F549-F553 WeakPolarHBondContact O-CD2 3.33Å; F549-F553 WeakPolarHBondContact O-CG 3.5Å; F549-F553 PolarHBondContact O-N 2.91Å; F549-I581 HydrophobicContact CE1-CD1 3.68Å; F549-I581 HydrophobicContact CE1-CG1 4.28Å; F549-I581 HydrophobicContact CZ-CD1 3.59Å; F549-I581 HydrophobicContact CZ-CG1 4.38Å
550F79.5Confident83.9Confident12 Ų128 Ų85%0.0534%0.04CC..Hα-helixtrans-60.2-43.1176.1-75.6-52.9000112.9A483 Y486 K546 L547 V548 A554 L629 I633 L639A483-F550 HydrophobicContact CB-CD1 3.99Å; A483-F550 HydrophobicContact CB-CE1 3.67Å; A483-F550 HydrophobicContact CB-CZ 4Å; A483-F550 WeakPolarHBondContact O-CD1 3.49Å; A483-F550 WeakPolarHBondContact O-CE1 3.4Å; Y486-F550 AromaticContact CD1-CD1 3.6Å; Y486-F550 HydrophobicContact CD1-CD1 3.6Å; Y486-F550 AromaticContact CD1-CE1 3.03Å; Y486-F550 HydrophobicContact CD1-CE1 3.03Å; Y486-F550 HydrophobicContact CD1-CE2 4.41Å; Y486-F550 AromaticContact CD1-CZ 3.5Å; Y486-F550 HydrophobicContact CD1-CZ 3.5Å; Y486-F550 VanDerWaalsContact CD1-CZ 3.5Å; Y486-F550 HydrophobicContact CE1-CD1 4.2Å; Y486-F550 AromaticContact CE1-CE1 3.93Å; Y486-F550 HydrophobicContact CE1-CE1 3.93Å; Y486-F550 HydrophobicContact CE1-CZ 4.22Å; Y486-F550 AromaticContact CG-CE1 3.57Å; Y486-F550 HydrophobicContact CG-CE1 3.57Å; Y486-F550 AromaticContact CG-CZ 3.76Å; Y486-F550 HydrophobicContact CG-CZ 3.76Å; K546-F550 HydrophobicContact CB-CD2 4.46Å; K546-F550 HydrophobicContact CB-CE2 4.29Å; K546-F550 WeakPolarHBondContact O-CD2 3.32Å; K546-F550 WeakPolarHBondContact O-CG 3.1Å; K546-F550 PolarHBondContact O-N 3.32Å; L547-F550 PolarHBondContact O-N 3.32Å; V548-F550 PolarHBondContact O-N 3.11Å; F550-A554 WeakPolarHBondContact O-CB 3.48Å; F550-A554 PolarHBondContact O-N 3.34Å; F550-L629 HydrophobicContact CD2-CD2 4.01Å; F550-L629 HydrophobicContact CD2-CG 4.41Å; F550-L629 HydrophobicContact CE2-CD2 3.6Å; F550-L629 HydrophobicContact CE2-CG 3.99Å; F550-I633 HydrophobicContact CB-CD1 3.97Å; F550-I633 HydrophobicContact CD2-CD1 3.06Å; F550-I633 HydrophobicContact CE2-CD1 3.54Å; F550-I633 HydrophobicContact CG-CD1 3.63Å; F550-I633 HydrophobicContact CZ-CD1 4.45Å; F550-L639 HydrophobicContact CB-CD1 4.11Å
551I82.1Confident84.2Confident0 Ų07.7 Ų7.70%04%0.039CC..Hα-helixtrans-64-46.4178.6-65.3161.8000110.5I526 L528 L547 V548 F549 A554 G555 N556 V558 L639I526-I551 HydrophobicContact CB-CD1 4.05Å; I526-I551 HydrophobicContact CB-CG1 4.33Å; I526-I551 HydrophobicContact CB-CG2 3.85Å; I526-I551 HydrophobicContact CG1-CG1 4.24Å; I526-I551 HydrophobicContact CG1-CG2 3.56Å; I526-I551 HydrophobicContact CG2-CD1 3.84Å; I526-I551 HydrophobicContact CG2-CG1 4.37Å; L528-I551 HydrophobicContact CD1-CD1 3.85Å; L528-I551 HydrophobicContact CD2-CD1 3.93Å; L528-I551 HydrophobicContact CG-CD1 4.1Å; L547-I551 HydrophobicContact CG-CD1 4.04Å; L547-I551 WeakPolarHBondContact O-CD1 3.42Å; L547-I551 VanDerWaalsContact O-CG1 3.22Å; L547-I551 WeakPolarHBondContact O-CG1 3.37Å; L547-I551 PolarHBondContact O-N 3.32Å; V548-I551 PolarHBondContact O-N 2.71Å; F549-I551 VanDerWaalsContact C-N 3.33Å; F549-I551 PolarHBondContact O-N 2.88Å; I551-A554 PolarHBondContact O-N 2.97Å; I551-G555 PolarHBondContact O-N 2.9Å; I551-N556 HydrophobicContact CG2-CB 3.5Å; I551-N556 VanDerWaalsContact CG2-CB 3.5Å; I551-N556 WeakPolarHBondContact O-CB 3.48Å; I551-N556 PolarHBondContact O-N 3.13Å; I551-N556 PolarHBondContact O-ND2 3.44Å; I551-V558 HydrophobicContact CB-CG2 3.63Å; I551-V558 HydrophobicContact CD1-CG2 4.15Å; I551-V558 HydrophobicContact CG2-CB 4.48Å; I551-V558 HydrophobicContact CG2-CG2 3.34Å; I551-L639 HydrophobicContact CB-CD2 4.19Å; I551-L639 HydrophobicContact CG1-CD2 3.6Å
552L84.5Confident84.5Confident1 Ų17.2 Ų7.21%0.0054%0.035CC..Hα-helixtrans-65.7-43.2179.3-70170.6000112.6V548 F549 A554 G555 V558 L590 I591V548-L552 HydrophobicContact CG1-CD1 3.78Å; V548-L552 HydrophobicContact CG1-CG 4.41Å; V548-L552 WeakPolarHBondContact O-CB 3.32Å; V548-L552 VanDerWaalsContact O-CG 3.27Å; V548-L552 WeakPolarHBondContact O-CG 3.47Å; V548-L552 PolarHBondContact O-N 2.78Å; F549-L552 PolarHBondContact O-N 2.92Å; L552-A554 PolarHBondContact O-N 3.39Å; L552-G555 VanDerWaalsContact O-CA 3.31Å; L552-G555 WeakPolarHBondContact O-CA 3.29Å; L552-G555 PolarHBondContact O-N 3.32Å; L552-V558 HydrophobicContact CD2-CG2 4.21Å; L552-V558 HydrophobicContact CG-CG2 4.1Å; L552-L590 HydrophobicContact CD2-CB 4.23Å; L552-I591 HydrophobicContact CD1-CD1 3.81Å; L552-I591 HydrophobicContact CD1-CG1 4.03Å; L552-I591 HydrophobicContact CD2-CG1 4.06Å
553F77.9Confident84.7Confident3 Ų35.9 Ų5.91%0.0133%0.027CC..Hα-helixtrans-66.1-31.1176.9-65.4-34000112Q465 V468 K480 A483 F484 F487 F549 G555Q465-F553 HydrophobicContact CB-CD1 4.5Å; Q465-F553 HydrophobicContact CB-CE1 4.43Å; Q465-F553 HydrophobicContact CG-CE1 4.32Å; V468-F553 HydrophobicContact CB-CE1 4.05Å; V468-F553 HydrophobicContact CG1-CE1 3.89Å; V468-F553 HydrophobicContact CG1-CZ 3.98Å; V468-F553 HydrophobicContact CG2-CE1 4.44Å; K480-F553 WeakPolarHBondContact O-CE2 3.45Å; A483-F553 HydrophobicContact CB-CD2 4.15Å; A483-F553 HydrophobicContact CB-CE2 3.86Å; F484-F553 HydrophobicContact CB-CD2 4.09Å; F484-F553 HydrophobicContact CB-CE2 3.95Å; F484-F553 HydrophobicContact CB-CZ 4.41Å; F484-F553 HydrophobicContact CD2-CB 4.48Å; F484-F553 HydrophobicContact CD2-CD1 4.35Å; F484-F553 HydrophobicContact CD2-CD2 4.4Å; F484-F553 HydrophobicContact CD2-CG 4.18Å; F487-F553 HydrophobicContact CB-CB 4.29Å; F487-F553 HydrophobicContact CD1-CB 4.02Å; F487-F553 HydrophobicContact CE1-CB 4.5Å; F487-F553 WeakPolarHBondContact CE1-O 3.33Å; F487-F553 HydrophobicContact CG-CB 4.07Å; F487-F553 WeakPolarHBondContact CZ-O 3.17Å; F549-F553 HydrophobicContact CB-CD2 4.25Å; F549-F553 HydrophobicContact CB-CE2 3.87Å; F549-F553 HydrophobicContact CB-CZ 4.42Å; F549-F553 HydrophobicContact CD1-CZ 4.46Å; F549-F553 WeakPolarHBondContact O-CB 3.39Å; F549-F553 WeakPolarHBondContact O-CD2 3.33Å; F549-F553 WeakPolarHBondContact O-CG 3.5Å; F549-F553 PolarHBondContact O-N 2.91Å; F553-G555 PolarHBondContact O-N 3.19Å
554A75.2Confident84.5Confident0 Ų08.5 Ų8.50%04%0.042CC..THydrogen-bonded Turntrans-68.5-4.6167.700000114.5F487 P522 F550 I551 L552 N556 L639F487-A554 HydrophobicContact CD2-CB 4.04Å; F487-A554 HydrophobicContact CE2-CB 3.58Å; F487-A554 HydrophobicContact CZ-CB 4.37Å; P522-A554 WeakPolarHBondContact CB-O 3.38Å; F550-A554 WeakPolarHBondContact O-CB 3.48Å; F550-A554 PolarHBondContact O-N 3.34Å; I551-A554 PolarHBondContact O-N 2.97Å; L552-A554 PolarHBondContact O-N 3.39Å; A554-N556 VanDerWaalsContact C-N 3.33Å; A554-N556 VanDerWaalsContact CB-ND2 3.34Å; A554-N556 WeakPolarHBondContact CB-ND2 3.39Å; A554-L639 HydrophobicContact CB-CB 3.9Å; A554-L639 HydrophobicContact CB-CD1 4.4Å
555G79.2Confident83.8Confident1 Ų19.7 Ų9.71%0.015%0.048CC..THydrogen-bonded Turntrans77.116.3179.500000113.9Q453 P522 I551 L552 F553Q453-G555 WeakPolarHBondContact CG-O 3.21Å; P522-G555 WeakPolarHBondContact CB-O 3.48Å; P522-G555 WeakPolarHBondContact CG-O 3.46Å; I551-G555 PolarHBondContact O-N 2.9Å; L552-G555 VanDerWaalsContact O-CA 3.31Å; L552-G555 WeakPolarHBondContact O-CA 3.29Å; L552-G555 PolarHBondContact O-N 3.32Å; F553-G555 PolarHBondContact O-N 3.19Å
556N81.9Confident82.7Confident0 Ų017.5 Ų17.50%09%0.09CC..  trans-87.5150.8173.1-60.1-86.5000109.6P522 T523 G524 I526 I551 A554 L639P522-N556 WeakPolarHBondContact CA-OD1 3.44Å; P522-N556 HydrophobicContact CB-CB 4.2Å; P522-N556 WeakPolarHBondContact CB-OD1 3.03Å; T523-N556 PolarHBondContact N-OD1 3.22Å; T523-N556 PolarHBondContact OG1-OD1 3.29Å; G524-N556 PolarHBondContact N-OD1 2.93Å; G524-N556 VanDerWaalsContact O-CB 3.29Å; G524-N556 WeakPolarHBondContact O-CB 3.47Å; G524-N556 PolarHBondContact O-OD1 3.4Å; I526-N556 HydrophobicContact CG1-CB 4Å; I551-N556 HydrophobicContact CG2-CB 3.5Å; I551-N556 VanDerWaalsContact CG2-CB 3.5Å; I551-N556 WeakPolarHBondContact O-CB 3.48Å; I551-N556 PolarHBondContact O-N 3.13Å; I551-N556 PolarHBondContact O-ND2 3.44Å; A554-N556 VanDerWaalsContact C-N 3.33Å; A554-N556 VanDerWaalsContact CB-ND2 3.34Å; A554-N556 WeakPolarHBondContact CB-ND2 3.39Å; N556-L639 PolarHBondContact ND2-O 3.38Å
557A88.6Confident81.7Confident0 Ų018.7 Ų18.70%010%0.099CC..  trans-76.4154.3162.200000110.5A449 Q453 P525 I526 L590A449-A557 HydrophobicContact CB-CB 3.81Å; A449-A557 VanDerWaalsContact O-CB 3.23Å; A449-A557 WeakPolarHBondContact O-CB 3.38Å; Q453-A557 HydrophobicContact CB-CB 4Å; P525-A557 WeakPolarHBondContact CA-O 3.39Å; P525-A557 HydrophobicContact CB-CB 4.42Å; I526-A557 PolarHBondContact N-O 2.75Å; A557-L590 CarbonylContact C-O 3.57Å; A557-L590 WeakPolarHBondContact CA-O 3.5Å; A557-L590 HydrophobicContact CB-CD2 4.42Å
558V91.2Very high80.6Confident0 Ų021.1 Ų21.10%011%0.112CC..EExtended strand (participates in β ladder)trans-113.4129.3176.5-177.80000108.9L528 V548 I551 L552 L560 L590 I591 A592L528-V558 HydrophobicContact CD1-CG1 4.1Å; L528-V558 HydrophobicContact CG-CG1 4.35Å; V548-V558 HydrophobicContact CG1-CG2 4.34Å; V548-V558 HydrophobicContact CG2-CG1 4.3Å; I551-V558 HydrophobicContact CB-CG2 3.63Å; I551-V558 HydrophobicContact CD1-CG2 4.15Å; I551-V558 HydrophobicContact CG2-CB 4.48Å; I551-V558 HydrophobicContact CG2-CG2 3.34Å; L552-V558 HydrophobicContact CD2-CG2 4.21Å; L552-V558 HydrophobicContact CG-CG2 4.1Å; V558-L560 HydrophobicContact CG1-CD2 3.48Å; V558-L560 VanDerWaalsContact CG1-CD2 3.48Å; V558-L560 HydrophobicContact CG1-CG 3.99Å; V558-L590 PolarHBondContact N-O 2.97Å; V558-I591 CarbonylContact O-C 3.47Å; V558-I591 WeakPolarHBondContact O-CA 3.42Å; V558-A592 PolarHBondContact O-N 3.16Å
559V92.2Very high79.2Confident1 Ų126.8 Ų26.81%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-113.2111.5169.1177.90000108.1V445 I446 A449 P525 I526 V527 L528 L561 A592V445-V559 HydrophobicContact CG1-CG1 3.68Å; V445-V559 HydrophobicContact CG1-CG2 4.31Å; I446-V559 HydrophobicContact CG1-CG2 4.45Å; A449-V559 HydrophobicContact CB-CG2 3.64Å; P525-V559 HydrophobicContact CB-CG2 4.28Å; I526-V559 PolarHBondContact O-N 3.02Å; V527-V559 CarbonylContact C-O 3.58Å; V527-V559 WeakPolarHBondContact CA-O 3.39Å; V527-V559 HydrophobicContact CG2-CB 3.86Å; V527-V559 HydrophobicContact CG2-CG1 4.14Å; V527-V559 HydrophobicContact CG2-CG2 4.46Å; L528-V559 PolarHBondContact N-O 2.75Å; V559-L561 HydrophobicContact CG1-CD2 3.83Å; V559-L561 HydrophobicContact CG1-CG 4.24Å; V559-A592 CarbonylContact C-O 3.57Å; V559-A592 WeakPolarHBondContact CA-O 3.39Å; V559-A592 HydrophobicContact CG2-CB 4.32Å
560L92.5Very high78Confident1 Ų131 Ų311%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-90.4109.2176.3-56.5-176.8000108.9L528 I530 V548 V558 M562 I578 I591 A592 V593 H594L528-L560 HydrophobicContact CB-CD2 3.89Å; L528-L560 HydrophobicContact CD1-CD2 3.7Å; L528-L560 HydrophobicContact CG-CD2 4.17Å; I530-L560 HydrophobicContact CD1-CD2 3.9Å; V548-L560 HydrophobicContact CG2-CD2 4.15Å; V558-L560 HydrophobicContact CG1-CD2 3.48Å; V558-L560 VanDerWaalsContact CG1-CD2 3.48Å; V558-L560 HydrophobicContact CG1-CG 3.99Å; L560-M562 HydrophobicContact CB-SD 4.37Å; L560-I578 HydrophobicContact CD1-CD1 4.06Å; L560-I578 HydrophobicContact CD1-CG1 4.11Å; L560-I578 HydrophobicContact CD1-CG2 4.41Å; L560-I591 HydrophobicContact CD1-CG2 4.33Å; L560-A592 PolarHBondContact N-O 3.22Å; L560-V593 HydrophobicContact CB-CG1 4.46Å; L560-V593 HydrophobicContact CB-CG2 4.37Å; L560-V593 HydrophobicContact CD1-CG2 4.15Å; L560-H594 PolarHBondContact O-N 3.46Å
561L90.4Very high76.9Confident0 Ų039.4 Ų39.40%022%0.222CC..EExtended strand (participates in β ladder)trans-95.7105.3171.8-60.7-172.7000108.9L442 V527 L528 V529 I530 V559 H594 I603 L607L442-L561 HydrophobicContact CD2-CD1 4.04Å; L442-L561 HydrophobicContact CD2-CD2 3.64Å; V527-L561 HydrophobicContact CG1-CD1 3.51Å; V527-L561 HydrophobicContact CG1-CG 3.8Å; L528-L561 PolarHBondContact O-N 2.88Å; V529-L561 WeakPolarHBondContact CA-O 3.17Å; V529-L561 HydrophobicContact CG1-CB 4.5Å; V529-L561 HydrophobicContact CG2-CB 4.42Å; V529-L561 HydrophobicContact CG2-CD1 4.36Å; I530-L561 PolarHBondContact N-O 2.9Å; V559-L561 HydrophobicContact CG1-CD2 3.83Å; V559-L561 HydrophobicContact CG1-CG 4.24Å; L561-H594 WeakPolarHBondContact CA-O 3.4Å; L561-H594 HydrophobicContact CD2-CB 3.81Å; L561-I603 HydrophobicContact CD1-CG2 4.05Å; L561-L607 HydrophobicContact CD1-CD1 3.95Å; L561-L607 HydrophobicContact CD1-CD2 4.13Å; L561-L607 HydrophobicContact CD1-CG 4.48Å
562M88.4Confident76.1Confident3 Ų340.7 Ų40.72%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-93120.1-174.5-56.6-66.8-81.700108.9I530 C532 L535 L560 N565 L575 V593 H594 C596I530-M562 HydrophobicContact CB-SD 4.02Å; I530-M562 HydrophobicContact CD1-SD 3.87Å; I530-M562 HydrophobicContact CG1-SD 4.49Å; I530-M562 HydrophobicContact CG2-SD 4.37Å; C532-M562 VanDerWaalsContact SG-CE 3.51Å; L535-M562 HydrophobicContact CD1-CE 3.73Å; L560-M562 HydrophobicContact CB-SD 4.37Å; M562-N565 VanDerWaalsContact CB-OD1 3.28Å; M562-N565 WeakPolarHBondContact CB-OD1 3.47Å; M562-N565 PolarHBondContact O-OD1 3.48Å; M562-L575 HydrophobicContact CE-CD2 4.23Å; M562-V593 HydrophobicContact CG-CG1 3.95Å; M562-H594 PolarHBondContact N-O 3.27Å; M562-C596 PolarHBondContact O-N 3.18Å
563T85.7Confident75.7Confident10 Ų1045.6 Ų45.66%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-112.8155.7178.462.90000110.6V529 I530 D531 C532 N565 C596 I603V529-T563 HydrophobicContact CG1-CG2 4.08Å; I530-T563 PolarHBondContact O-N 2.99Å; I530-T563 PolarHBondContact O-OG1 3.46Å; D531-T563 WeakPolarHBondContact CA-OG1 3.09Å; C532-T563 WeakPolarHBondContact CB-O 3.35Å; C532-T563 PolarHBondContact N-O 2.6Å; C532-T563 PolarHBondContact SG-O 3.21Å; T563-N565 VanDerWaalsContact C-N 3.32Å; T563-N565 PolarHBondContact N-OD1 2.83Å; T563-N565 PolarHBondContact O-N 3.15Å; T563-N565 PolarHBondContact O-OD1 2.74Å; T563-C596 HydrophobicContact CG2-CB 4.22Å; T563-I603 HydrophobicContact CG2-CD1 3.49Å; T563-I603 VanDerWaalsContact CG2-CD1 3.49Å
564N77.6Confident75.9Confident69 Ų6945.6 Ų45.637%0.36926%0.256SS..SBendtrans56.838.6-178.3-58.7-41.3000114.2D531 K533 D566 L567D531-N564 WeakPolarHBondContact OD1-CB 3.4Å; D531-N564 PolarHBondContact OD1-ND2 3.28Å; D531-N564 PolarHBondContact OD2-ND2 3.1Å; D531-N564 VanDerWaalsContact OD2-ND2 3.13Å; K533-N564 WeakPolarHBondContact CE-ND2 3.24Å; K533-N564 HydrophobicContact CG-CB 4.19Å; N564-D566 PolarHBondContact O-N 3.38Å; N564-L567 HydrophobicContact CB-CD1 4.4Å; N564-L567 PolarHBondContact O-N 3.35Å
565N71.3Confident76.2Confident25 Ų2547.4 Ų47.413%0.13427%0.265CS..G310 helixtrans-64.3-22.6-172.2-63.6-4.1000114.5C532 M562 T563 L567 I568 E595C532-N565 PolarHBondContact SG-OD1 2.99Å; M562-N565 VanDerWaalsContact CB-OD1 3.28Å; M562-N565 WeakPolarHBondContact CB-OD1 3.47Å; M562-N565 PolarHBondContact O-OD1 3.48Å; T563-N565 VanDerWaalsContact C-N 3.32Å; T563-N565 PolarHBondContact N-OD1 2.83Å; T563-N565 PolarHBondContact O-N 3.15Å; T563-N565 PolarHBondContact O-OD1 2.74Å; N565-L567 PolarHBondContact O-N 2.91Å; N565-I568 HydrophobicContact CB-CD1 4.27Å; N565-I568 WeakPolarHBondContact O-CG1 3.48Å; N565-I568 PolarHBondContact O-N 2.93Å; N565-I568 VanDerWaalsContact O-N 3.11Å; N565-E595 WeakPolarHBondContact ND2-CB 3.43Å; N565-E595 WeakPolarHBondContact ND2-CG 3.38Å; N565-E595 PolarHBondContact ND2-OE2 3.35Å
566D63.9Low76.4Confident167 Ų16751.5 Ų51.589%0.89329%0.287SS*.G310 helixtrans-60.4-11.5177.9-55.9-29.2000113.1N564N564-D566 PolarHBondContact O-N 3.38Å
567L58.9Low76.5Confident95 Ų9552.3 Ų52.350%0.49729%0.292SS..G310 helixtrans-107.19.2-177-64.1163000113.4K533 N564 N565 D569K533-L567 HydrophobicContact CD-CD1 3.56Å; K533-L567 HydrophobicContact CG-CB 4.11Å; K533-L567 HydrophobicContact CG-CD1 3.44Å; K533-L567 VanDerWaalsContact CG-CD1 3.44Å; K533-L567 HydrophobicContact CG-CG 4.41Å; N564-L567 HydrophobicContact CB-CD1 4.4Å; N564-L567 PolarHBondContact O-N 3.35Å; N565-L567 PolarHBondContact O-N 2.91Å; L567-D569 PolarHBondContact O-N 3.49Å; L567-D569 VanDerWaalsContact O-N 3.13Å
568I61Low76.5Confident52 Ų5252.3 Ų52.327%0.26729%0.292SS..  trans-72.5105.7173.3-62.2172.6000108.6C532 N565 G570 N572 L575C532-I568 HydrophobicContact CB-CD1 4.08Å; C532-I568 HydrophobicContact CB-CG1 3.67Å; N565-I568 HydrophobicContact CB-CD1 4.27Å; N565-I568 WeakPolarHBondContact O-CG1 3.48Å; N565-I568 PolarHBondContact O-N 2.93Å; N565-I568 VanDerWaalsContact O-N 3.11Å; I568-G570 PolarHBondContact O-N 3.41Å; I568-N572 HydrophobicContact CG2-CB 3.76Å; I568-L575 HydrophobicContact CD1-CD1 4.46Å
569D57.7Low76.2Confident120 Ų12057.6 Ų57.664%0.64232%0.315SS*.  trans-58.5134.9167.2-91.5-25000109.7L567 K571 N572L567-D569 PolarHBondContact O-N 3.49Å; L567-D569 VanDerWaalsContact O-N 3.13Å; D569-K571 PolarHBondContact O-N 2.83Å; D569-N572 PolarHBondContact O-N 3.37Å
570G57.4Low75.9Confident90 Ų9060.2 Ų60.293%0.92833%0.331SS*.THydrogen-bonded Turntrans-60.85.4-177.500000116.2I568I568-G570 PolarHBondContact O-N 3.41Å
571K56.9Low75.5Confident189 Ų18960.1 Ų60.182%0.82233%0.33SS*.THydrogen-bonded Turntrans-95.7-2.6171.8-67.9-176.3178.7176.70113.7D569 N573D569-K571 PolarHBondContact O-N 2.83Å; K571-N573 PolarHBondContact O-N 3.43Å
572N65.6Low75.4Confident27 Ų2762.1 Ų62.114%0.14434%0.34CS..  trans-78103.2-179.5-174.2-6.6000111.7L535 I568 D569 L574L535-N572 VanDerWaalsContact CB-ND2 3.34Å; L535-N572 WeakPolarHBondContact CB-ND2 3.34Å; I568-N572 HydrophobicContact CG2-CB 3.76Å; D569-N572 PolarHBondContact O-N 3.37Å; N572-L574 VanDerWaalsContact C-N 3.29Å; N572-L574 PolarHBondContact O-N 2.92Å; N572-L574 WeakPolarHBondContact OD1-CB 3.34Å; N572-L574 PolarHBondContact OD1-N 3.27Å
573N75.5Confident75.3Confident104 Ų10470.4 Ų70.456%0.55638%0.375SS*.  trans-81.10.8-179.8-65.8-12.8000114.2K571 L575 D576 V577K571-N573 PolarHBondContact O-N 3.43Å; N573-L575 PolarHBondContact O-N 2.88Å; N573-D576 PolarHBondContact O-N 3Å; N573-V577 WeakPolarHBondContact O-CG2 3.36Å; N573-V577 PolarHBondContact O-N 2.84Å
574L82.4Confident75.2Confident4 Ų472.7 Ų72.72%0.02138%0.383CS..Hα-helixtrans-57.1-50-174.9179.769.5000111.8L535 V544 L545 N572 D576 V577 I578L535-L574 HydrophobicContact CD1-CD2 3.59Å; L535-L574 HydrophobicContact CD2-CD2 4.04Å; L535-L574 HydrophobicContact CG-CD2 4.43Å; V544-L574 HydrophobicContact CG1-CD1 4.46Å; V544-L574 HydrophobicContact CG1-CD2 4.2Å; L545-L574 HydrophobicContact CD1-CD1 4.01Å; L545-L574 HydrophobicContact CD2-CD1 3.68Å; L545-L574 HydrophobicContact CG-CD1 3.47Å; L545-L574 VanDerWaalsContact CG-CD1 3.47Å; N572-L574 VanDerWaalsContact C-N 3.29Å; N572-L574 PolarHBondContact O-N 2.92Å; N572-L574 WeakPolarHBondContact OD1-CB 3.34Å; N572-L574 PolarHBondContact OD1-N 3.27Å; L574-D576 VanDerWaalsContact C-N 3.29Å; L574-D576 PolarHBondContact O-N 2.8Å; L574-V577 PolarHBondContact O-N 2.83Å; L574-I578 HydrophobicContact CD1-CG1 4.47Å; L574-I578 HydrophobicContact CG-CG1 4.43Å; L574-I578 WeakPolarHBondContact O-CG1 3.42Å; L574-I578 PolarHBondContact O-N 2.86Å
575L83.1Confident75.4Confident37 Ų3769.7 Ų69.719%0.19437%0.367CS..Hα-helixtrans-64-34.9-178.6-72.2174000112.1M562 I568 N573 I578 K579 V593M562-L575 HydrophobicContact CE-CD2 4.23Å; I568-L575 HydrophobicContact CD1-CD1 4.46Å; N573-L575 PolarHBondContact O-N 2.88Å; L575-I578 PolarHBondContact O-N 2.79Å; L575-K579 WeakPolarHBondContact O-CB 3.44Å; L575-K579 VanDerWaalsContact O-CG 3.26Å; L575-K579 WeakPolarHBondContact O-CG 3.46Å; L575-K579 PolarHBondContact O-N 2.95Å; L575-V593 HydrophobicContact CD2-CG1 4.01Å
576D82.6Confident75.9Confident87 Ų8771.3 Ų71.347%0.46538%0.38SS..Hα-helixtrans-70.2-37.5176.6-68.7-25.6000111.9N573 L574 K579 T580N573-D576 PolarHBondContact O-N 3Å; L574-D576 VanDerWaalsContact C-N 3.29Å; L574-D576 PolarHBondContact O-N 2.8Å; D576-K579 PolarHBondContact O-N 3.26Å; D576-T580 WeakPolarHBondContact O-CB 3.46Å; D576-T580 PolarHBondContact O-N 3.39Å; D576-T580 PolarHBondContact O-OG1 2.93Å
577V83.5Confident76.8Confident17 Ų1764.4 Ų64.410%0.10334%0.344CS..Hα-helixtrans-64.2-45.6171.3174.80000110.5L474 L545 N573 L574 K579 T580 I581L474-V577 HydrophobicContact CD1-CG1 4.07Å; L545-V577 HydrophobicContact CD1-CG1 4.05Å; L545-V577 HydrophobicContact CD2-CB 4.37Å; L545-V577 HydrophobicContact CD2-CG1 3.65Å; N573-V577 WeakPolarHBondContact O-CG2 3.36Å; N573-V577 PolarHBondContact O-N 2.84Å; L574-V577 PolarHBondContact O-N 2.83Å; V577-K579 PolarHBondContact O-N 2.82Å; V577-T580 WeakPolarHBondContact O-CB 3.35Å; V577-T580 PolarHBondContact O-N 3.15Å; V577-T580 VanDerWaalsContact O-N 3.15Å; V577-I581 HydrophobicContact CG1-CD1 3.87Å; V577-I581 HydrophobicContact CG1-CG1 4.49Å; V577-I581 VanDerWaalsContact O-CG1 3.32Å; V577-I581 WeakPolarHBondContact O-CG1 3.44Å; V577-I581 PolarHBondContact O-N 3.48Å
578I87.9Confident78Confident1 Ų164 Ų641%0.00535%0.345CS..Hα-helixtrans-59.9-46.9176.5-68.5-64000111.1L545 V548 L560 L574 L575 T580 I581 Q582 I591 V593L545-I578 HydrophobicContact CD2-CD1 4.01Å; V548-I578 HydrophobicContact CG1-CD1 4.11Å; V548-I578 HydrophobicContact CG2-CD1 4.22Å; L560-I578 HydrophobicContact CD1-CD1 4.06Å; L560-I578 HydrophobicContact CD1-CG1 4.11Å; L560-I578 HydrophobicContact CD1-CG2 4.41Å; L574-I578 HydrophobicContact CD1-CG1 4.47Å; L574-I578 HydrophobicContact CG-CG1 4.43Å; L574-I578 WeakPolarHBondContact O-CG1 3.42Å; L574-I578 PolarHBondContact O-N 2.86Å; L575-I578 PolarHBondContact O-N 2.79Å; I578-T580 VanDerWaalsContact C-N 3.26Å; I578-T580 PolarHBondContact O-N 3.45Å; I578-I581 PolarHBondContact O-N 3.15Å; I578-I581 VanDerWaalsContact O-N 3.13Å; I578-Q582 HydrophobicContact CG2-CG 4.36Å; I578-Q582 WeakPolarHBondContact O-CG 3.5Å; I578-Q582 PolarHBondContact O-N 3.5Å; I578-I591 HydrophobicContact CG2-CG2 3.79Å; I578-V593 HydrophobicContact CG2-CG2 3.9Å
579K86.2Confident79.2Confident110 Ų11063.3 Ų63.348%0.47835%0.345SS..Hα-helixtrans-59.2-38.3175-75.2170.8-174.8169.30112.1L575 D576 V577 K583L575-K579 WeakPolarHBondContact O-CB 3.44Å; L575-K579 VanDerWaalsContact O-CG 3.26Å; L575-K579 WeakPolarHBondContact O-CG 3.46Å; L575-K579 PolarHBondContact O-N 2.95Å; D576-K579 PolarHBondContact O-N 3.26Å; V577-K579 PolarHBondContact O-N 2.82Å; K579-K583 WeakPolarHBondContact O-CG 3.46Å; K579-K583 PolarHBondContact O-N 3.22Å; K579-K583 VanDerWaalsContact O-N 3.12Å
580T84.7Confident80.6Confident56 Ų5657.6 Ų57.634%0.34432%0.315SS..Hα-helixtrans-64.9-43.1176.1-59.40000111L474 D576 V577 I578 K583 R584L474-T580 HydrophobicContact CD2-CG2 4.37Å; D576-T580 WeakPolarHBondContact O-CB 3.46Å; D576-T580 PolarHBondContact O-N 3.39Å; D576-T580 PolarHBondContact O-OG1 2.93Å; V577-T580 WeakPolarHBondContact O-CB 3.35Å; V577-T580 PolarHBondContact O-N 3.15Å; V577-T580 VanDerWaalsContact O-N 3.15Å; I578-T580 VanDerWaalsContact C-N 3.26Å; I578-T580 PolarHBondContact O-N 3.45Å; T580-K583 PolarHBondContact O-N 2.93Å; T580-R584 WeakPolarHBondContact O-CG 3.41Å; T580-R584 PolarHBondContact O-N 2.96Å
581I84.3Confident82.2Confident0 Ų053.4 Ų53.40%027%0.271CS..Hα-helixtrans-65.8-45.8176.5-62.6160.2000110.4L545 F549 V577 I578 K583 R584 L585 I591L545-I581 HydrophobicContact CD2-CD1 4.32Å; F549-I581 HydrophobicContact CE1-CD1 3.68Å; F549-I581 HydrophobicContact CE1-CG1 4.28Å; F549-I581 HydrophobicContact CZ-CD1 3.59Å; F549-I581 HydrophobicContact CZ-CG1 4.38Å; V577-I581 HydrophobicContact CG1-CD1 3.87Å; V577-I581 HydrophobicContact CG1-CG1 4.49Å; V577-I581 VanDerWaalsContact O-CG1 3.32Å; V577-I581 WeakPolarHBondContact O-CG1 3.44Å; V577-I581 PolarHBondContact O-N 3.48Å; I578-I581 PolarHBondContact O-N 3.15Å; I578-I581 VanDerWaalsContact O-N 3.13Å; I581-K583 PolarHBondContact O-N 2.97Å; I581-R584 WeakPolarHBondContact O-CB 3.38Å; I581-R584 PolarHBondContact O-N 2.86Å; I581-L585 HydrophobicContact CG2-CD1 4.24Å; I581-L585 HydrophobicContact CG2-CG 4.49Å; I581-L585 PolarHBondContact O-N 3.39Å; I581-I591 HydrophobicContact CB-CD1 4.19Å; I581-I591 HydrophobicContact CG2-CD1 3.66Å
582Q88.9Confident83.9Confident42 Ų4245.2 Ų45.220%0.19624%0.239CC..Hα-helixtrans-53-42.2176.4-77.3175.3-45.700112I578 R584 L585 T588 I591I578-Q582 HydrophobicContact CG2-CG 4.36Å; I578-Q582 WeakPolarHBondContact O-CG 3.5Å; I578-Q582 PolarHBondContact O-N 3.5Å; Q582-R584 VanDerWaalsContact C-N 3.29Å; Q582-R584 PolarHBondContact O-N 2.77Å; Q582-L585 PolarHBondContact O-N 3Å; Q582-T588 WeakPolarHBondContact O-CG2 3.07Å; Q582-I591 HydrophobicContact CG-CB 3.9Å; Q582-I591 HydrophobicContact CG-CD1 4.31Å; Q582-I591 PolarHBondContact NE2-O 2.87Å
583K85.5Confident85.1Confident176 Ų17646.3 Ų46.377%0.76525%0.247SC*.Hα-helixtrans-67.2-25.1178.3-73.8174.3-177.9-179.40114.1K579 T580 I581K579-K583 WeakPolarHBondContact O-CG 3.46Å; K579-K583 PolarHBondContact O-N 3.22Å; K579-K583 VanDerWaalsContact O-N 3.12Å; T580-K583 PolarHBondContact O-N 2.93Å; I581-K583 PolarHBondContact O-N 2.97Å
584R83.5Confident85.7Confident58 Ų5843.4 Ų43.422%0.21923%0.229CC..Hα-helixtrans-80.9-30.9177.5-64.9177.9-171-152.8-2.4112E467 E470 N471 T580 I581 Q582E467-R584 WeakPolarHBondContact O-CB 3.32Å; E470-R584 PolarHBondContact O-NH1 3.5Å; N471-R584 PolarHBondContact O-NH1 3.38Å; N471-R584 PolarHBondContact O-NH2 2.86Å; T580-R584 WeakPolarHBondContact O-CG 3.41Å; T580-R584 PolarHBondContact O-N 2.96Å; I581-R584 WeakPolarHBondContact O-CB 3.38Å; I581-R584 PolarHBondContact O-N 2.86Å; Q582-R584 VanDerWaalsContact C-N 3.29Å; Q582-R584 PolarHBondContact O-N 2.77Å
585L83.5Confident86Confident7 Ų748.8 Ų48.84%0.03725%0.254CS..SBendtrans-70.4136.3179.6-66.3171.2000110.8I464 E467 V468 I581 Q582 V587 L590 I591I464-L585 HydrophobicContact CG2-CD2 4.43Å; E467-L585 HydrophobicContact CB-CD2 4.32Å; E467-L585 WeakPolarHBondContact OE2-CA 3.21Å; V468-L585 HydrophobicContact CG2-CD2 3.66Å; I581-L585 HydrophobicContact CG2-CD1 4.24Å; I581-L585 HydrophobicContact CG2-CG 4.49Å; I581-L585 PolarHBondContact O-N 3.39Å; Q582-L585 PolarHBondContact O-N 3Å; L585-V587 PolarHBondContact O-N 3.29Å; L585-L590 HydrophobicContact CB-CD1 4.45Å; L585-L590 HydrophobicContact CD1-CB 3.95Å; L585-L590 HydrophobicContact CD1-CD1 4.23Å; L585-L590 HydrophobicContact CD2-CD1 4.2Å; L585-I591 HydrophobicContact CD1-CD1 4.05Å; L585-I591 HydrophobicContact CD1-CG1 4.11Å
586S80.3Confident86Confident59 Ų5947.3 Ų47.341%0.41325%0.247SC..SBendtrans-66.9-18.8174.759.20000113K459 E467K459-S586 VanDerWaalsContact NZ-CB 3.32Å; K459-S586 PolarHBondContact NZ-OG 3.48Å; E467-S586 VanDerWaalsContact CD-OG 3.26Å; E467-S586 WeakPolarHBondContact OE1-CB 3.34Å; E467-S586 PolarHBondContact OE1-OG 2.99Å; E467-S586 PolarHBondContact OE2-N 3.02Å; E467-S586 PolarHBondContact OE2-OG 2.76Å; E467-S586 VanDerWaalsContact OE2-OG 3.12Å
587V83.6Confident85.7Confident21 Ų2150 Ų5013%0.12727%0.267CS..SBendtrans-125.495.6173-171.50000108.7A452 L585 S589 L590A452-V587 HydrophobicContact CB-CG1 3.61Å; L585-V587 PolarHBondContact O-N 3.29Å; V587-S589 PolarHBondContact O-N 3.18Å; V587-S589 VanDerWaalsContact O-N 3.17Å; V587-L590 HydrophobicContact CB-CD1 4.14Å; V587-L590 HydrophobicContact CB-CG 4.13Å; V587-L590 HydrophobicContact CG1-CG 4.47Å; V587-L590 VanDerWaalsContact O-CB 3.32Å; V587-L590 WeakPolarHBondContact O-CB 3.16Å; V587-L590 WeakPolarHBondContact O-CG 3.31Å; V587-L590 PolarHBondContact O-N 3.16Å
588T83.2Confident85.3Confident86 Ų8650.9 Ų50.953%0.52827%0.274SS..G310 helixtrans-57.8-32.4-174.354.60000113.4Q582 L590 I591Q582-T588 WeakPolarHBondContact O-CG2 3.07Å; T588-L590 PolarHBondContact O-N 3.17Å; T588-I591 PolarHBondContact O-N 2.88Å; T588-I591 VanDerWaalsContact O-O 3.12Å
589S86.2Confident84.7Confident38 Ų3854.7 Ų54.727%0.26630%0.298SS..G310 helixtrans-73.30179.445.10000114.7A452 V587 I591A452-S589 WeakPolarHBondContact CB-OG 3.46Å; V587-S589 PolarHBondContact O-N 3.18Å; V587-S589 VanDerWaalsContact O-N 3.17Å; S589-I591 PolarHBondContact O-N 3.18Å
590L87.2Confident84.1Confident1 Ų151.8 Ų51.81%0.00529%0.288CS..G310 helixtrans-60.8-26.3166.3-79.9169.5000112.5A452 S456 L552 A557 V558 L585 V587 T588A452-L590 HydrophobicContact CB-CD2 4.43Å; A452-L590 HydrophobicContact CB-CG 4.43Å; S456-L590 WeakPolarHBondContact OG-CD1 3.49Å; L552-L590 HydrophobicContact CD2-CB 4.23Å; A557-L590 CarbonylContact C-O 3.57Å; A557-L590 WeakPolarHBondContact CA-O 3.5Å; A557-L590 HydrophobicContact CB-CD2 4.42Å; V558-L590 PolarHBondContact N-O 2.97Å; L585-L590 HydrophobicContact CB-CD1 4.45Å; L585-L590 HydrophobicContact CD1-CB 3.95Å; L585-L590 HydrophobicContact CD1-CD1 4.23Å; L585-L590 HydrophobicContact CD2-CD1 4.2Å; V587-L590 HydrophobicContact CB-CD1 4.14Å; V587-L590 HydrophobicContact CB-CG 4.13Å; V587-L590 HydrophobicContact CG1-CG 4.47Å; V587-L590 VanDerWaalsContact O-CB 3.32Å; V587-L590 WeakPolarHBondContact O-CB 3.16Å; V587-L590 WeakPolarHBondContact O-CG 3.31Å; V587-L590 PolarHBondContact O-N 3.16Å; T588-L590 PolarHBondContact O-N 3.17Å
591I92.6Very high83.5Confident1 Ų154.4 Ų54.41%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-118.2114.4165.9-50.1171.3000106.5V548 L552 V558 L560 I578 I581 Q582 L585 T588 S589V548-I591 HydrophobicContact CG1-CD1 4.2Å; L552-I591 HydrophobicContact CD1-CD1 3.81Å; L552-I591 HydrophobicContact CD1-CG1 4.03Å; L552-I591 HydrophobicContact CD2-CG1 4.06Å; V558-I591 CarbonylContact O-C 3.47Å; V558-I591 WeakPolarHBondContact O-CA 3.42Å; L560-I591 HydrophobicContact CD1-CG2 4.33Å; I578-I591 HydrophobicContact CG2-CG2 3.79Å; I581-I591 HydrophobicContact CB-CD1 4.19Å; I581-I591 HydrophobicContact CG2-CD1 3.66Å; Q582-I591 HydrophobicContact CG-CB 3.9Å; Q582-I591 HydrophobicContact CG-CD1 4.31Å; Q582-I591 PolarHBondContact NE2-O 2.87Å; L585-I591 HydrophobicContact CD1-CD1 4.05Å; L585-I591 HydrophobicContact CD1-CG1 4.11Å; T588-I591 PolarHBondContact O-N 2.88Å; T588-I591 VanDerWaalsContact O-O 3.12Å; S589-I591 PolarHBondContact O-N 3.18Å
592A91.5Very high83.2Confident18 Ų1858.5 Ų58.515%0.14932%0.323CS..EExtended strand (participates in β ladder)trans-104.8135.5170.500000109.1V445 V558 V559 L560V445-A592 HydrophobicContact CG1-CB 3.82Å; V558-A592 PolarHBondContact O-N 3.16Å; V559-A592 CarbonylContact C-O 3.57Å; V559-A592 WeakPolarHBondContact CA-O 3.39Å; V559-A592 HydrophobicContact CG2-CB 4.32Å; L560-A592 PolarHBondContact N-O 3.22Å
593V90.3Very high82.6Confident50 Ų5056.5 Ų56.530%0.30331%0.314SS..EExtended strand (participates in β ladder)trans-116.1127.1174.2-173.40000107.5L560 M562 L575 I578L560-V593 HydrophobicContact CB-CG1 4.46Å; L560-V593 HydrophobicContact CB-CG2 4.37Å; L560-V593 HydrophobicContact CD1-CG2 4.15Å; M562-V593 HydrophobicContact CG-CG1 3.95Å; L575-V593 HydrophobicContact CD2-CG1 4.01Å; I578-V593 HydrophobicContact CG2-CG2 3.9Å
594H89.6Confident82Confident42 Ų4250.6 Ų50.619%0.19429%0.291CS..EExtended strand (participates in β ladder)trans-132.4131.9176.2-174.461.6000110.2T441 L560 L561 M562 C596T441-H594 VanDerWaalsContact CG2-CE1 3.46Å; T441-H594 WeakPolarHBondContact CG2-CE1 3.28Å; L560-H594 PolarHBondContact O-N 3.46Å; L561-H594 WeakPolarHBondContact CA-O 3.4Å; L561-H594 HydrophobicContact CD2-CB 3.81Å; M562-H594 PolarHBondContact N-O 3.27Å; H594-C596 VanDerWaalsContact CD2-SG 3.59Å
595E87.1Confident81.4Confident117 Ų11748.3 Ų48.355%0.54728%0.284SS..EExtended strand (participates in β ladder)trans-92.9121.4-179.9-63.6-163.6-166.800109.6N565N565-E595 WeakPolarHBondContact ND2-CB 3.43Å; N565-E595 WeakPolarHBondContact ND2-CG 3.38Å; N565-E595 PolarHBondContact ND2-OE2 3.35Å
596C83.5Confident81Confident6 Ų648.6 Ų48.64%0.04129%0.285CS..EExtended strand (participates in β ladder)trans-107.8123.3-178.6-63.70000110.3M562 T563 H594 I603M562-C596 PolarHBondContact O-N 3.18Å; T563-C596 HydrophobicContact CG2-CB 4.22Å; H594-C596 VanDerWaalsContact CD2-SG 3.59Å; C596-I603 HydrophobicContact CB-CD1 3.58Å; C596-I603 HydrophobicContact CB-CG1 4.45Å
597T77.3Confident80.6Confident145 Ų14546 Ų4689%0.8927%0.266SS*.  trans-94.20.2175.852.30000113.3
598C74.5Confident79.8Confident35 Ų3546.9 Ų46.924%0.23627%0.273CS..SBendtrans-93.4157.2-176.6-640000112.4L438L438-C598 HydrophobicContact CD2-CB 4.02Å
599P74.2Confident78.8Confident81 Ų8143.5 Ų43.553%0.52625%0.252SS..  trans-58.6146.1172.8-20.732.1000112.5T601 E602 I603P599-T601 PolarHBondContact O-N 3.22Å; P599-T601 VanDerWaalsContact O-N 3.16Å; P599-E602 WeakPolarHBondContact O-CB 3.49Å; P599-E602 PolarHBondContact O-N 3.22Å; P599-I603 PolarHBondContact O-N 3.16Å
600L75Confident77.8Confident48 Ų4842.1 Ų42.125%0.25124%0.242SC..Hα-helixtrans-55.6-34.8-179.9-176.764.7000113.3V529 E602 I603 N604 D620V529-L600 HydrophobicContact CB-CD1 4.4Å; V529-L600 HydrophobicContact CG1-CD1 3.43Å; V529-L600 VanDerWaalsContact CG1-CD1 3.43Å; L600-E602 VanDerWaalsContact C-N 3.32Å; L600-E602 PolarHBondContact O-N 3.22Å; L600-I603 PolarHBondContact O-N 3.37Å; L600-N604 WeakPolarHBondContact O-CB 3.35Å; L600-N604 PolarHBondContact O-N 3.07Å; L600-D620 HydrophobicContact CD2-CB 3.99Å; L600-D620 WeakPolarHBondContact CD2-OD2 3.28Å
601T72.5Confident76.2Confident112 Ų11243.8 Ų43.869%0.68725%0.253SS*.Hα-helixtrans-62.3-37.8177.748.90000112.5P599 S605P599-T601 PolarHBondContact O-N 3.22Å; P599-T601 VanDerWaalsContact O-N 3.16Å; T601-S605 WeakPolarHBondContact O-CB 3.4Å; T601-S605 PolarHBondContact O-N 3.26Å; T601-S605 VanDerWaalsContact O-N 3.09Å
602E76.6Confident74.6Confident85 Ų8545.8 Ų45.840%0.39726%0.263SS..Hα-helixtrans-71.7-41.1177-170.1176.3-177.600111P599 L600 S605 I606P599-E602 WeakPolarHBondContact O-CB 3.49Å; P599-E602 PolarHBondContact O-N 3.22Å; L600-E602 VanDerWaalsContact C-N 3.32Å; L600-E602 PolarHBondContact O-N 3.22Å; E602-S605 PolarHBondContact O-N 3.06Å; E602-I606 HydrophobicContact CG-CD1 4.11Å; E602-I606 WeakPolarHBondContact O-CG1 3.33Å; E602-I606 PolarHBondContact O-N 3.46Å
603I77.6Confident72.9Confident0 Ų045.1 Ų45.10%026%0.257CS..Hα-helixtrans-60.1-51.5175.3-62.7171.5000110.5V529 L561 T563 C596 P599 L600 S605 I606 L607V529-I603 HydrophobicContact CG2-CG2 4.48Å; L561-I603 HydrophobicContact CD1-CG2 4.05Å; T563-I603 HydrophobicContact CG2-CD1 3.49Å; T563-I603 VanDerWaalsContact CG2-CD1 3.49Å; C596-I603 HydrophobicContact CB-CD1 3.58Å; C596-I603 HydrophobicContact CB-CG1 4.45Å; P599-I603 PolarHBondContact O-N 3.16Å; L600-I603 PolarHBondContact O-N 3.37Å; I603-S605 VanDerWaalsContact C-N 3.27Å; I603-S605 PolarHBondContact O-N 3.28Å; I603-I606 PolarHBondContact O-N 3.14Å; I603-I606 VanDerWaalsContact O-N 3.14Å; I603-L607 HydrophobicContact CG2-CD1 3.7Å; I603-L607 HydrophobicContact CG2-CG 4.12Å; I603-L607 WeakPolarHBondContact O-CB 3.4Å; I603-L607 VanDerWaalsContact O-CG 3.31Å; I603-L607 WeakPolarHBondContact O-CG 3.48Å; I603-L607 PolarHBondContact O-N 2.89Å
604N73.1Confident71.4Confident53 Ų5344.9 Ų44.928%0.28325%0.253SS..Hα-helixtrans-59-40.7179-77.6-26.1000111.5L600 L607 S608 N618L600-N604 WeakPolarHBondContact O-CB 3.35Å; L600-N604 PolarHBondContact O-N 3.07Å; N604-L607 PolarHBondContact O-N 3.34Å; N604-S608 WeakPolarHBondContact O-CB 3.48Å; N604-S608 PolarHBondContact O-N 3.33Å; N604-S608 PolarHBondContact O-OG 2.91Å; N604-N618 PolarHBondContact ND2-ND2 3.24Å; N604-N618 PolarHBondContact OD1-ND2 3.03Å; N604-N618 VanDerWaalsContact OD1-ND2 3.17Å; N604-N618 PolarHBondContact OD1-OD1 2.71Å
605S69.2Low70.3Confident10 Ų1043.4 Ų43.47%0.0725%0.247CC..Hα-helixtrans-65.1-43.1175.8-170.60000112.3T432 T601 E602 I603 S608 N609T432-S605 WeakPolarHBondContact CB-OG 3.26Å; T432-S605 WeakPolarHBondContact CG2-OG 3.42Å; T432-S605 PolarHBondContact OG1-OG 3.17Å; T601-S605 WeakPolarHBondContact O-CB 3.4Å; T601-S605 PolarHBondContact O-N 3.26Å; T601-S605 VanDerWaalsContact O-N 3.09Å; E602-S605 PolarHBondContact O-N 3.06Å; I603-S605 VanDerWaalsContact C-N 3.27Å; I603-S605 PolarHBondContact O-N 3.28Å; S605-S608 PolarHBondContact O-OG 3.31Å; S605-N609 PolarHBondContact O-N 3.26Å; S605-N609 PolarHBondContact O-ND2 2.97Å
606I75Confident69.6Low13 Ų1339.7 Ų39.77%0.06723%0.233CC..Hα-helixtrans-63.7-48.2176.1-70.3166.8000110.8L438 Y439 L442 E602 I603 S608 N609 L610L438-I606 HydrophobicContact CB-CD1 4.17Å; L438-I606 HydrophobicContact CD2-CD1 3.46Å; L438-I606 VanDerWaalsContact CD2-CD1 3.46Å; L438-I606 HydrophobicContact CG-CD1 3.75Å; Y439-I606 HydrophobicContact CD2-CG2 3.97Å; L442-I606 HydrophobicContact CD1-CB 4.44Å; L442-I606 HydrophobicContact CD1-CG2 3.76Å; E602-I606 HydrophobicContact CG-CD1 4.11Å; E602-I606 WeakPolarHBondContact O-CG1 3.33Å; E602-I606 PolarHBondContact O-N 3.46Å; I603-I606 PolarHBondContact O-N 3.14Å; I603-I606 VanDerWaalsContact O-N 3.14Å; I606-S608 VanDerWaalsContact C-N 3.32Å; I606-S608 PolarHBondContact O-N 3.09Å; I606-N609 WeakPolarHBondContact O-CA 3.49Å; I606-N609 WeakPolarHBondContact O-CB 3.48Å; I606-N609 PolarHBondContact O-N 3.29Å; I606-L610 HydrophobicContact CG2-CD1 4.46Å; I606-L610 WeakPolarHBondContact O-CG 3.41Å; I606-L610 PolarHBondContact O-N 3.22Å
607L73.7Confident69.2Low4 Ų439.7 Ų39.72%0.02123%0.232CC..Hα-helixtrans-61.5-40-179.5-68.9175.6000112L442 I446 V527 V529 L561 I603 N604 N609 L610 P613 V616L442-L607 HydrophobicContact CD1-CD2 4.45Å; I446-L607 HydrophobicContact CD1-CD2 4.04Å; V527-L607 HydrophobicContact CG1-CD1 3.87Å; V527-L607 HydrophobicContact CG1-CD2 4.35Å; V527-L607 HydrophobicContact CG2-CD2 4.49Å; V529-L607 HydrophobicContact CG2-CD1 4Å; L561-L607 HydrophobicContact CD1-CD1 3.95Å; L561-L607 HydrophobicContact CD1-CD2 4.13Å; L561-L607 HydrophobicContact CD1-CG 4.48Å; I603-L607 HydrophobicContact CG2-CD1 3.7Å; I603-L607 HydrophobicContact CG2-CG 4.12Å; I603-L607 WeakPolarHBondContact O-CB 3.4Å; I603-L607 VanDerWaalsContact O-CG 3.31Å; I603-L607 WeakPolarHBondContact O-CG 3.48Å; I603-L607 PolarHBondContact O-N 2.89Å; N604-L607 PolarHBondContact O-N 3.34Å; L607-N609 PolarHBondContact O-N 3.49Å; L607-N609 VanDerWaalsContact O-N 3.15Å; L607-L610 HydrophobicContact CD2-CD1 4.07Å; L607-L610 PolarHBondContact O-N 3.09Å; L607-L610 VanDerWaalsContact O-N 3.11Å; L607-P613 HydrophobicContact CD2-CG 4.42Å; L607-V616 HydrophobicContact CB-CG2 4.04Å; L607-V616 HydrophobicContact CD1-CG1 3.67Å; L607-V616 HydrophobicContact CD1-CG2 3.96Å; L607-V616 HydrophobicContact CG-CG2 4.5Å
608S65Low69.1Low39 Ų3935.1 Ų35.127%0.27320%0.203SC..Hα-helixtrans-61.9-20174.672.50000113.7N604 S605 I606N604-S608 WeakPolarHBondContact O-CB 3.48Å; N604-S608 PolarHBondContact O-N 3.33Å; N604-S608 PolarHBondContact O-OG 2.91Å; S605-S608 PolarHBondContact O-OG 3.31Å; I606-S608 VanDerWaalsContact C-N 3.32Å; I606-S608 PolarHBondContact O-N 3.09Å
609N63.9Low69.3Low15 Ų1533.5 Ų33.58%0.0819%0.191CC..THydrogen-bonded Turntrans-96.7-3.3179.4-80.6-60.3000113.7T432 Y439 S605 I606 L607T432-N609 PolarHBondContact OG1-ND2 3.35Å; Y439-N609 HydrophobicContact CE2-CB 4.33Å; S605-N609 PolarHBondContact O-N 3.26Å; S605-N609 PolarHBondContact O-ND2 2.97Å; I606-N609 WeakPolarHBondContact O-CA 3.49Å; I606-N609 WeakPolarHBondContact O-CB 3.48Å; I606-N609 PolarHBondContact O-N 3.29Å; L607-N609 PolarHBondContact O-N 3.49Å; L607-N609 VanDerWaalsContact O-N 3.15Å
610L64.8Low69.2Low9 Ų933.3 Ų33.35%0.04719%0.186CC..SBendtrans-92.2138174.8-61.4174.8000109.5Y439 L442 S443 I446 I606 L607 E612Y439-L610 HydrophobicContact CD2-CD2 3.96Å; Y439-L610 HydrophobicContact CE1-CD2 4.14Å; Y439-L610 HydrophobicContact CE2-CD2 3.41Å; Y439-L610 VanDerWaalsContact CE2-CD2 3.41Å; Y439-L610 HydrophobicContact CE2-CG 4.28Å; L442-L610 HydrophobicContact CB-CD1 4.13Å; S443-L610 WeakPolarHBondContact OG-CD2 3.45Å; I446-L610 HydrophobicContact CD1-CD1 3.41Å; I446-L610 VanDerWaalsContact CD1-CD1 3.41Å; I606-L610 HydrophobicContact CG2-CD1 4.46Å; I606-L610 WeakPolarHBondContact O-CG 3.41Å; I606-L610 PolarHBondContact O-N 3.22Å; L607-L610 HydrophobicContact CD2-CD1 4.07Å; L607-L610 PolarHBondContact O-N 3.09Å; L607-L610 VanDerWaalsContact O-N 3.11Å; L610-E612 WeakPolarHBondContact CB-O 3.44Å; L610-E612 PolarHBondContact O-N 2.85Å
611C53.6Low68.9Low37 Ų3733.6 Ų33.625%0.2519%0.192CC..SBendtrans-65.1-27.9176.8-48.80000112.5N359N359-C611 VanDerWaalsContact CA-SG 3.56Å; N359-C611 VanDerWaalsContact CB-SG 3.57Å; N359-C611 PolarHBondContact OD1-SG 2.8Å
612E59Low68.7Low43 Ų4332.1 Ų32.120%0.20118%0.182CC..  trans-132.7132.7170.4-62.3-168.6155.300106.2I446 R450 L610I446-E612 HydrophobicContact CG2-CB 3.94Å; I446-E612 WeakPolarHBondContact CG2-O 3.47Å; R450-E612 VanDerWaalsContact CD-OE2 3.22Å; R450-E612 WeakPolarHBondContact CD-OE2 3.3Å; R450-E612 VanDerWaalsContact CG-OE2 3.28Å; R450-E612 WeakPolarHBondContact CG-OE2 3.37Å; R450-E612 IonicContact CZ-OE1 3.65Å; R450-E612 IonicContact NE-OE1 3.67Å; R450-E612 PolarHBondContact NE-OE1 2.9Å; R450-E612 IonicContact NE-OE2 3.08Å; R450-E612 PolarHBondContact NE-OE2 3.28Å; R450-E612 IonicContact NH2-OE1 3.4Å; L610-E612 WeakPolarHBondContact CB-O 3.44Å; L610-E612 PolarHBondContact O-N 2.85Å
613P56Low68.3Low4 Ų433 Ų333%0.02619%0.189CC..  cis-89.7144.926.438.2-41.2000113.7I446 P525 V527 L607 T615 V616I446-P613 HydrophobicContact CD1-CG 4.49Å; P525-P613 VanDerWaalsContact O-CB 3.24Å; P525-P613 WeakPolarHBondContact O-CB 3.33Å; V527-P613 HydrophobicContact CB-CB 4.28Å; V527-P613 HydrophobicContact CB-CG 3.96Å; V527-P613 HydrophobicContact CG2-CB 3.72Å; V527-P613 HydrophobicContact CG2-CG 3.5Å; V527-P613 VanDerWaalsContact CG2-CG 3.5Å; L607-P613 HydrophobicContact CD2-CG 4.42Å; P613-T615 PolarHBondContact O-N 2.89Å; P613-V616 HydrophobicContact CG-CG2 3.59Å
614L57.3Low67.7Low44 Ų4433.5 Ų33.523%0.2319%0.192CC..SBendtrans-73.3-7.4169.5-73168.2000112.7F425 T523F425-L614 WeakPolarHBondContact CE2-O 3.05Å; F425-L614 WeakPolarHBondContact CZ-O 3.39Å; T523-L614 WeakPolarHBondContact O-CD1 3.41Å
615T67.5Low67.5Low12 Ų1231.2 Ų31.27%0.07418%0.18CC..EExtended strand (participates in β ladder)trans-146.9122.1-179.8-61.80000110.7I526 V527 P613 V617 F637I526-T615 HydrophobicContact CD1-CG2 3.97Å; I526-T615 HydrophobicContact CG2-CG2 4.04Å; V527-T615 PolarHBondContact N-O 2.88Å; P613-T615 PolarHBondContact O-N 2.89Å; T615-V617 HydrophobicContact CG2-CG2 4.04Å; T615-F637 HydrophobicContact CG2-CB 3.34Å; T615-F637 HydrophobicContact CG2-CD1 4.19Å; T615-F637 HydrophobicContact CG2-CD2 4.37Å; T615-F637 HydrophobicContact CG2-CG 3.73Å
616V72.1Confident67.5Low39 Ų3935 Ų3524%0.23620%0.203CC..EExtended strand (participates in β ladder)trans-117.3129.5171.6-177.80000108.1V527 V529 L607 P613V527-V616 HydrophobicContact CB-CG2 4.37Å; V527-V616 HydrophobicContact CG1-CG1 4.32Å; V527-V616 CarbonylContact O-C 3.57Å; V527-V616 WeakPolarHBondContact O-CA 3.47Å; V529-V616 HydrophobicContact CG2-CG1 3.83Å; L607-V616 HydrophobicContact CB-CG2 4.04Å; L607-V616 HydrophobicContact CD1-CG1 3.67Å; L607-V616 HydrophobicContact CD1-CG2 3.96Å; L607-V616 HydrophobicContact CG-CG2 4.5Å; P613-V616 HydrophobicContact CG-CG2 3.59Å
617V75.5Confident67.1Low6 Ų639.6 Ų39.64%0.03622%0.223CC..EExtended strand (participates in β ladder)trans-117.7111.3178.3-171.20000108.5I526 V527 L528 V529 T615 L619 L636 F637I526-V617 HydrophobicContact CG2-CG2 4.07Å; V527-V617 PolarHBondContact O-N 3.43Å; L528-V617 HydrophobicContact CD2-CB 3.57Å; L528-V617 HydrophobicContact CD2-CG1 4.24Å; L528-V617 HydrophobicContact CD2-CG2 3.72Å; V529-V617 PolarHBondContact N-O 2.83Å; T615-V617 HydrophobicContact CG2-CG2 4.04Å; V617-L619 HydrophobicContact CG1-CD2 3.84Å; V617-L619 HydrophobicContact CG1-CG 4.24Å; V617-L636 HydrophobicContact CG1-CD1 3.8Å; V617-F637 HydrophobicContact CB-CE1 4.26Å; V617-F637 HydrophobicContact CG1-CD1 4.45Å; V617-F637 HydrophobicContact CG1-CE1 3.94Å; V617-F637 HydrophobicContact CG2-CD1 3.33Å; V617-F637 HydrophobicContact CG2-CE1 3.32Å; V617-F637 HydrophobicContact CG2-CG 4.19Å; V617-F637 HydrophobicContact CG2-CZ 4.1Å
618N75.8Confident66.8Low49 Ų4943.7 Ų43.726%0.26224%0.244SC..EExtended strand (participates in β ladder)trans-83.9120.6173-68.8-39.9000109.5V529 N604V529-N618 VanDerWaalsContact CB-OD1 3.28Å; V529-N618 WeakPolarHBondContact CB-OD1 3.31Å; V529-N618 WeakPolarHBondContact CG2-OD1 3.34Å; N604-N618 PolarHBondContact ND2-ND2 3.24Å; N604-N618 PolarHBondContact OD1-ND2 3.03Å; N604-N618 VanDerWaalsContact OD1-ND2 3.17Å; N604-N618 PolarHBondContact OD1-OD1 2.71Å
619L78.7Confident66.8Low0 Ų042.4 Ų42.40%024%0.235CC..EExtended strand (participates in β ladder)trans-110.354.3176.4-58.5179.4000108.8V529 I530 V544 L547 V617 V624 F625V529-L619 WeakPolarHBondContact O-CB 3.33Å; V529-L619 PolarHBondContact O-N 3.25Å; I530-L619 HydrophobicContact CG1-CB 4.47Å; I530-L619 HydrophobicContact CG1-CD1 4Å; V544-L619 HydrophobicContact CG2-CD1 4.12Å; L547-L619 HydrophobicContact CD2-CD1 4.1Å; V617-L619 HydrophobicContact CG1-CD2 3.84Å; V617-L619 HydrophobicContact CG1-CG 4.24Å; L619-V624 HydrophobicContact CD2-CG1 3.58Å; L619-F625 HydrophobicContact CB-CZ 4.16Å
620D71.8Confident66.6Low78 Ų7843.4 Ų43.442%0.41724%0.242SC..  trans-106.8-2.9-174.962.5-20.5000113.2L600L600-D620 HydrophobicContact CD2-CB 3.99Å; L600-D620 WeakPolarHBondContact CD2-OD2 3.28Å
621C69.1Low66.3Low54 Ų5447 Ų4737%0.36526%0.262SS..  trans-122.1136.2-178.8-176.50000112.3D623 V624C621-D623 VanDerWaalsContact C-N 3.26Å; C621-D623 PolarHBondContact O-N 3.42Å; C621-V624 HydrophobicContact CB-CG2 4.18Å; C621-V624 VanDerWaalsContact O-CB 3.28Å; C621-V624 WeakPolarHBondContact O-CB 3.5Å; C621-V624 WeakPolarHBondContact O-CG2 3.34Å; C621-V624 PolarHBondContact O-N 3.45Å
622V67.3Low66.5Low80 Ų8045.8 Ų45.849%0.48525%0.252SS..G310 helixtrans-61.2-34-179.6-177.70000112.1L534 V624 F625L534-V622 HydrophobicContact CD2-CG2 3.89Å; V622-V624 PolarHBondContact O-N 2.98Å; V622-V624 VanDerWaalsContact O-N 3.09Å; V622-F625 PolarHBondContact O-N 3.39Å
623D68.5Low66.5Low103 Ų10343.7 Ų43.755%0.55124%0.242SC*.G310 helixtrans-62.3-20.2-178.9-67.9-20.2000113.4C621 F625 T626 K627C621-D623 VanDerWaalsContact C-N 3.26Å; C621-D623 PolarHBondContact O-N 3.42Å; D623-F625 VanDerWaalsContact C-N 3.32Å; D623-T626 PolarHBondContact O-OG1 3.4Å; D623-K627 WeakPolarHBondContact O-CG 3.48Å
624V65.7Low66.4Low11 Ų1145.3 Ų45.37%0.06725%0.253CS..G310 helixtrans-62.8-42.9173.41720000110.7F543 L619 C621 V622 T626 K627 Y632F543-V624 HydrophobicContact CE1-CG1 3.9Å; F543-V624 HydrophobicContact CZ-CG1 3.98Å; F543-V624 WeakPolarHBondContact CZ-O 3.39Å; L619-V624 HydrophobicContact CD2-CG1 3.58Å; C621-V624 HydrophobicContact CB-CG2 4.18Å; C621-V624 VanDerWaalsContact O-CB 3.28Å; C621-V624 WeakPolarHBondContact O-CB 3.5Å; C621-V624 WeakPolarHBondContact O-CG2 3.34Å; C621-V624 PolarHBondContact O-N 3.45Å; V622-V624 PolarHBondContact O-N 2.98Å; V622-V624 VanDerWaalsContact O-N 3.09Å; V624-T626 VanDerWaalsContact C-N 3.3Å; V624-T626 PolarHBondContact O-N 3.35Å; V624-K627 PolarHBondContact O-N 2.98Å; V624-Y632 HydrophobicContact CB-CE1 4.32Å; V624-Y632 WeakPolarHBondContact CB-OH 3.21Å; V624-Y632 HydrophobicContact CG1-CD1 4.28Å; V624-Y632 HydrophobicContact CG1-CE1 3.25Å; V624-Y632 HydrophobicContact CG1-CE2 4.48Å; V624-Y632 WeakPolarHBondContact CG1-OH 3.42Å; V624-Y632 WeakPolarHBondContact CG2-OH 3.28Å
625F69Low65.8Low5 Ų549.4 Ų49.42%0.02227%0.267CS..THydrogen-bonded Turntrans-81.4-7.8-173.3-58.7-78.9000113.8L534 K539 N540 F543 V544 L619 V622 D623L534-F625 HydrophobicContact CB-CE2 4.16Å; L534-F625 HydrophobicContact CB-CZ 4.49Å; L534-F625 HydrophobicContact CD1-CE2 3.79Å; K539-F625 PolarHBondContact NZ-O 3.5Å; N540-F625 HydrophobicContact CB-CD1 3.76Å; N540-F625 HydrophobicContact CB-CE1 3.86Å; N540-F625 HydrophobicContact CB-CG 4.17Å; N540-F625 HydrophobicContact CB-CZ 4.36Å; N540-F625 WeakPolarHBondContact OD1-CB 3.28Å; N540-F625 WeakPolarHBondContact OD1-CG 3.45Å; F543-F625 HydrophobicContact CB-CD1 3.89Å; F543-F625 HydrophobicContact CB-CE1 4.41Å; F543-F625 AromaticContact CD1-CD1 3.63Å; F543-F625 HydrophobicContact CD1-CD1 3.63Å; F543-F625 AromaticContact CD1-CE1 3.81Å; F543-F625 HydrophobicContact CD1-CE1 3.81Å; F543-F625 HydrophobicContact CE1-CD1 4.21Å; F543-F625 HydrophobicContact CE1-CE1 4.4Å; F543-F625 AromaticContact CG-CD1 3.79Å; F543-F625 HydrophobicContact CG-CD1 3.79Å; F543-F625 HydrophobicContact CG-CE1 4.35Å; V544-F625 HydrophobicContact CG2-CE1 4.1Å; L619-F625 HydrophobicContact CB-CZ 4.16Å; V622-F625 PolarHBondContact O-N 3.39Å; D623-F625 VanDerWaalsContact C-N 3.32Å
626T68.7Low64.8Low91 Ų9152.1 Ų52.156%0.55828%0.28SS*.THydrogen-bonded Turntrans-90.8-15.6174.662.10000112.7D623 V624D623-T626 PolarHBondContact O-OG1 3.4Å; V624-T626 VanDerWaalsContact C-N 3.3Å; V624-T626 PolarHBondContact O-N 3.35Å
627K66Low64.1Low109 Ų10950.8 Ų50.847%0.47427%0.272SS..SBendtrans-77.2146.9179.7-68.3174.2-176.4177.10111.7D623 V624 L629 Y632D623-K627 WeakPolarHBondContact O-CG 3.48Å; V624-K627 PolarHBondContact O-N 2.98Å; K627-L629 PolarHBondContact O-N 3.33Å; K627-L629 VanDerWaalsContact O-N 3.15Å; K627-Y632 HydrophobicContact CB-CD2 3.9Å; K627-Y632 HydrophobicContact CB-CG 4.11Å; K627-Y632 HydrophobicContact CD-CD2 3.22Å; K627-Y632 HydrophobicContact CD-CE2 3.39Å; K627-Y632 HydrophobicContact CD-CG 4.23Å; K627-Y632 HydrophobicContact CG-CD2 4.18Å
628D67Low63.2Low89 Ų8951 Ų5148%0.47627%0.274SS..  trans-62.7116.5167.4169.517.6000108.7S630 N631 Y632D628-S630 PolarHBondContact O-N 3.2Å; D628-S630 PolarHBondContact OD1-N 2.8Å; D628-S630 PolarHBondContact OD1-OG 3.04Å; D628-S630 PolarHBondContact OD2-OG 3.46Å; D628-N631 HydrophobicContact CB-CB 4.33Å; D628-N631 CarbonylContact O-C 3.57Å; D628-N631 WeakPolarHBondContact O-CB 3.44Å; D628-N631 PolarHBondContact O-N 2.98Å; D628-N631 PolarHBondContact OD2-ND2 3.39Å; D628-Y632 VanDerWaalsContact O-CB 3.31Å; D628-Y632 WeakPolarHBondContact O-CB 3.35Å; D628-Y632 PolarHBondContact O-N 3.23Å
629L65.2Low62.7Low13 Ų1348.8 Ų48.87%0.06826%0.262CS..Hα-helixtrans-60.7-34.5-170.8-178.264.5000112.9F543 K546 L547 F550 K627 Y632 I633F543-L629 HydrophobicContact CD1-CD1 4.3Å; F543-L629 HydrophobicContact CD2-CB 4.23Å; F543-L629 HydrophobicContact CD2-CD1 4.02Å; F543-L629 HydrophobicContact CD2-CD2 4.44Å; F543-L629 HydrophobicContact CD2-CG 4.48Å; F543-L629 HydrophobicContact CE1-CD1 3.77Å; F543-L629 HydrophobicContact CE2-CB 3.88Å; F543-L629 HydrophobicContact CE2-CD1 3.46Å; F543-L629 VanDerWaalsContact CE2-CD1 3.46Å; F543-L629 HydrophobicContact CE2-CG 4.16Å; F543-L629 HydrophobicContact CG-CD1 4.42Å; F543-L629 HydrophobicContact CZ-CD1 3.34Å; F543-L629 HydrophobicContact CZ-CG 4.48Å; K546-L629 HydrophobicContact CB-CD2 3.13Å; K546-L629 HydrophobicContact CD-CD2 3.71Å; K546-L629 HydrophobicContact CG-CD2 3.97Å; L547-L629 HydrophobicContact CD1-CD1 4.07Å; F550-L629 HydrophobicContact CD2-CD2 4.01Å; F550-L629 HydrophobicContact CD2-CG 4.41Å; F550-L629 HydrophobicContact CE2-CD2 3.6Å; F550-L629 HydrophobicContact CE2-CG 3.99Å; K627-L629 PolarHBondContact O-N 3.33Å; K627-L629 VanDerWaalsContact O-N 3.15Å; L629-Y632 HydrophobicContact CD1-CD1 4.42Å; L629-Y632 PolarHBondContact O-N 3.43Å; L629-I633 HydrophobicContact CD1-CD1 3.86Å; L629-I633 HydrophobicContact CD1-CG1 3.86Å; L629-I633 HydrophobicContact CD2-CD1 4.4Å; L629-I633 HydrophobicContact CG-CD1 3.75Å; L629-I633 HydrophobicContact CG-CG1 4.2Å; L629-I633 WeakPolarHBondContact O-CB 3.09Å; L629-I633 VanDerWaalsContact O-CG1 3.26Å; L629-I633 WeakPolarHBondContact O-CG1 3.15Å; L629-I633 PolarHBondContact O-N 3.03Å
630S61.2Low62.2Low35 Ų3548.9 Ų48.925%0.24526%0.262CS..Hα-helixtrans-62-51.6178.564.30000110.5Y486 D628Y486-S630 VanDerWaalsContact CD2-CB 3.48Å; Y486-S630 VanDerWaalsContact CE2-CA 3.47Å; Y486-S630 PolarHBondContact OH-O 3.46Å; D628-S630 PolarHBondContact O-N 3.2Å; D628-S630 PolarHBondContact OD1-N 2.8Å; D628-S630 PolarHBondContact OD1-OG 3.04Å; D628-S630 PolarHBondContact OD2-OG 3.46Å
631N58.2Low62.1Low85 Ų8547.1 Ų47.146%0.45525%0.251SS..Hα-helixtrans-59-51.4169.6-77.4-49000110.5D628 I633 S634 Y635D628-N631 HydrophobicContact CB-CB 4.33Å; D628-N631 CarbonylContact O-C 3.57Å; D628-N631 WeakPolarHBondContact O-CB 3.44Å; D628-N631 PolarHBondContact O-N 2.98Å; D628-N631 PolarHBondContact OD2-ND2 3.39Å; N631-I633 VanDerWaalsContact C-N 3.34Å; N631-I633 PolarHBondContact O-N 3.23Å; N631-S634 WeakPolarHBondContact O-CA 3.21Å; N631-S634 WeakPolarHBondContact O-CB 3.37Å; N631-S634 PolarHBondContact O-N 3.41Å; N631-S634 PolarHBondContact O-OG 3.16Å; N631-Y635 VanDerWaalsContact C-CD2 3.48Å; N631-Y635 HydrophobicContact CB-CD2 4.33Å; N631-Y635 HydrophobicContact CB-CE2 4.05Å; N631-Y635 WeakPolarHBondContact O-CD2 3.48Å; N631-Y635 PolarHBondContact O-N 3.3Å; N631-Y635 VanDerWaalsContact O-N 3.08Å
632Y57.9Low62.1Low11 Ų1146 Ų464%0.04324%0.242CC..Hα-helixtrans-57.6-38.6-174.2-168.8-117.5000114.8F543 V624 K627 D628 L629 Y635 L636F543-Y632 HydrophobicContact CE1-CD1 4.36Å; F543-Y632 HydrophobicContact CE1-CE1 4.37Å; F543-Y632 AromaticContact CZ-CD1 3.59Å; F543-Y632 HydrophobicContact CZ-CD1 3.59Å; F543-Y632 AromaticContact CZ-CE1 3.92Å; F543-Y632 HydrophobicContact CZ-CE1 3.92Å; F543-Y632 HydrophobicContact CZ-CG 4.46Å; V624-Y632 HydrophobicContact CB-CE1 4.32Å; V624-Y632 WeakPolarHBondContact CB-OH 3.21Å; V624-Y632 HydrophobicContact CG1-CD1 4.28Å; V624-Y632 HydrophobicContact CG1-CE1 3.25Å; V624-Y632 HydrophobicContact CG1-CE2 4.48Å; V624-Y632 WeakPolarHBondContact CG1-OH 3.42Å; V624-Y632 WeakPolarHBondContact CG2-OH 3.28Å; K627-Y632 HydrophobicContact CB-CD2 3.9Å; K627-Y632 HydrophobicContact CB-CG 4.11Å; K627-Y632 HydrophobicContact CD-CD2 3.22Å; K627-Y632 HydrophobicContact CD-CE2 3.39Å; K627-Y632 HydrophobicContact CD-CG 4.23Å; K627-Y632 HydrophobicContact CG-CD2 4.18Å; D628-Y632 VanDerWaalsContact O-CB 3.31Å; D628-Y632 WeakPolarHBondContact O-CB 3.35Å; D628-Y632 PolarHBondContact O-N 3.23Å; L629-Y632 HydrophobicContact CD1-CD1 4.42Å; L629-Y632 PolarHBondContact O-N 3.43Å; Y632-Y635 WeakPolarHBondContact O-CB 3.18Å; Y632-Y635 PolarHBondContact O-N 3.07Å; Y632-Y635 VanDerWaalsContact O-N 3.1Å; Y632-L636 HydrophobicContact CD1-CD1 3.68Å; Y632-L636 HydrophobicContact CD1-CG 4.29Å; Y632-L636 HydrophobicContact CD2-CD1 4.43Å; Y632-L636 HydrophobicContact CD2-CG 4.27Å; Y632-L636 HydrophobicContact CE1-CD1 3.01Å; Y632-L636 HydrophobicContact CE1-CG 3.85Å; Y632-L636 HydrophobicContact CE2-CD1 3.89Å; Y632-L636 HydrophobicContact CE2-CD2 4.16Å; Y632-L636 HydrophobicContact CE2-CG 3.81Å; Y632-L636 HydrophobicContact CG-CD1 4.36Å; Y632-L636 PolarHBondContact O-N 3.46Å; Y632-L636 WeakPolarHBondContact OH-CD1 3.21Å
633I58.7Low62.6Low0 Ų042.2 Ų42.20%022%0.219CC..Hα-helixtrans-64.6-42.8175.5-71.6167.9000110.7L547 F550 L629 N631 Y635 L636 F637 L639L547-I633 HydrophobicContact CD1-CD1 3.77Å; L547-I633 HydrophobicContact CD1-CG1 3.65Å; F550-I633 HydrophobicContact CB-CD1 3.97Å; F550-I633 HydrophobicContact CD2-CD1 3.06Å; F550-I633 HydrophobicContact CE2-CD1 3.54Å; F550-I633 HydrophobicContact CG-CD1 3.63Å; F550-I633 HydrophobicContact CZ-CD1 4.45Å; L629-I633 HydrophobicContact CD1-CD1 3.86Å; L629-I633 HydrophobicContact CD1-CG1 3.86Å; L629-I633 HydrophobicContact CD2-CD1 4.4Å; L629-I633 HydrophobicContact CG-CD1 3.75Å; L629-I633 HydrophobicContact CG-CG1 4.2Å; L629-I633 WeakPolarHBondContact O-CB 3.09Å; L629-I633 VanDerWaalsContact O-CG1 3.26Å; L629-I633 WeakPolarHBondContact O-CG1 3.15Å; L629-I633 PolarHBondContact O-N 3.03Å; N631-I633 VanDerWaalsContact C-N 3.34Å; N631-I633 PolarHBondContact O-N 3.23Å; I633-Y635 PolarHBondContact O-N 2.89Å; I633-L636 PolarHBondContact O-N 3.02Å; I633-F637 HydrophobicContact CG1-CZ 4.36Å; I633-F637 HydrophobicContact CG2-CE2 4.18Å; I633-F637 PolarHBondContact O-N 3.3Å; I633-L639 HydrophobicContact CG2-CD1 3.64Å; I633-L639 HydrophobicContact CG2-CG 4.17Å
634S52.6Low63.2Low37 Ų3737.5 Ų37.526%0.25919%0.194SC..Hα-helixtrans-64.6-23.1173.871.20000113.2N631N631-S634 WeakPolarHBondContact O-CA 3.21Å; N631-S634 WeakPolarHBondContact O-CB 3.37Å; N631-S634 PolarHBondContact O-N 3.41Å; N631-S634 PolarHBondContact O-OG 3.16Å
635Y44.8Very low64.1Low130 Ų13037 Ų3751%0.5119%0.191SC..Hα-helixtrans-80.8-32.7176-79.4-83.4000113.8R157 N631 Y632 I633R157-Y635 VanDerWaalsContact CZ-CD1 3.45Å; N631-Y635 VanDerWaalsContact C-CD2 3.48Å; N631-Y635 HydrophobicContact CB-CD2 4.33Å; N631-Y635 HydrophobicContact CB-CE2 4.05Å; N631-Y635 WeakPolarHBondContact O-CD2 3.48Å; N631-Y635 PolarHBondContact O-N 3.3Å; N631-Y635 VanDerWaalsContact O-N 3.08Å; Y632-Y635 WeakPolarHBondContact O-CB 3.18Å; Y632-Y635 PolarHBondContact O-N 3.07Å; Y632-Y635 VanDerWaalsContact O-N 3.1Å; I633-Y635 PolarHBondContact O-N 2.89Å
636L46.9Very low65Low69 Ų6936.9 Ų36.936%0.36119%0.191SC..Hα-helixtrans-99.3-38.1-166.6-79.1-176.8000115.5V617 Y632 I633V617-L636 HydrophobicContact CG1-CD1 3.8Å; Y632-L636 HydrophobicContact CD1-CD1 3.68Å; Y632-L636 HydrophobicContact CD1-CG 4.29Å; Y632-L636 HydrophobicContact CD2-CD1 4.43Å; Y632-L636 HydrophobicContact CD2-CG 4.27Å; Y632-L636 HydrophobicContact CE1-CD1 3.01Å; Y632-L636 HydrophobicContact CE1-CG 3.85Å; Y632-L636 HydrophobicContact CE2-CD1 3.89Å; Y632-L636 HydrophobicContact CE2-CD2 4.16Å; Y632-L636 HydrophobicContact CE2-CG 3.81Å; Y632-L636 HydrophobicContact CG-CD1 4.36Å; Y632-L636 PolarHBondContact O-N 3.46Å; Y632-L636 WeakPolarHBondContact OH-CD1 3.21Å; I633-L636 PolarHBondContact O-N 3.02Å
637F56.9Low65.8Low12 Ų1232.7 Ų32.75%0.05317%0.165CC..  trans-161.9148.7-172.945.3-93.2000114.3L547 T615 V617 I633 L639L547-F637 HydrophobicContact CD1-CE2 4.43Å; L547-F637 HydrophobicContact CD1-CZ 3.62Å; L547-F637 HydrophobicContact CG-CZ 4.4Å; T615-F637 HydrophobicContact CG2-CB 3.34Å; T615-F637 HydrophobicContact CG2-CD1 4.19Å; T615-F637 HydrophobicContact CG2-CD2 4.37Å; T615-F637 HydrophobicContact CG2-CG 3.73Å; V617-F637 HydrophobicContact CB-CE1 4.26Å; V617-F637 HydrophobicContact CG1-CD1 4.45Å; V617-F637 HydrophobicContact CG1-CE1 3.94Å; V617-F637 HydrophobicContact CG2-CD1 3.33Å; V617-F637 HydrophobicContact CG2-CE1 3.32Å; V617-F637 HydrophobicContact CG2-CG 4.19Å; V617-F637 HydrophobicContact CG2-CZ 4.1Å; I633-F637 HydrophobicContact CG1-CZ 4.36Å; I633-F637 HydrophobicContact CG2-CE2 4.18Å; I633-F637 PolarHBondContact O-N 3.3Å; F637-L639 HydrophobicContact CD2-CD2 3.79Å; F637-L639 HydrophobicContact CD2-CG 3.88Å; F637-L639 HydrophobicContact CE2-CD1 4.43Å; F637-L639 HydrophobicContact CE2-CD2 3.5Å; F637-L639 HydrophobicContact CE2-CG 3.74Å; F637-L639 PolarHBondContact O-N 3.08Å
638C57.3Low66.3Low11 Ų1128.3 Ų28.37%0.07415%0.148CC..  trans-7799.9172.7-142.50000107.7T523 S640T523-C638 HydrophobicContact CG2-CB 4.35Å; T523-C638 WeakPolarHBondContact CG2-O 3.35Å; T523-C638 PolarHBondContact OG1-O 2.94Å; C638-S640 PolarHBondContact O-N 3.4Å; C638-S640 PolarHBondContact SG-O 3.04Å
639L66.3Low66Low2 Ų226.5 Ų26.51%0.0114%0.14CC..SBendtrans-63.5-16.4171.8-79.8177.6000112.4I526 F550 I551 A554 N556 I633 F637I526-L639 HydrophobicContact CG1-CD2 4.47Å; F550-L639 HydrophobicContact CB-CD1 4.11Å; I551-L639 HydrophobicContact CB-CD2 4.19Å; I551-L639 HydrophobicContact CG1-CD2 3.6Å; A554-L639 HydrophobicContact CB-CB 3.9Å; A554-L639 HydrophobicContact CB-CD1 4.4Å; N556-L639 PolarHBondContact ND2-O 3.38Å; I633-L639 HydrophobicContact CG2-CD1 3.64Å; I633-L639 HydrophobicContact CG2-CG 4.17Å; F637-L639 HydrophobicContact CD2-CD2 3.79Å; F637-L639 HydrophobicContact CD2-CG 3.88Å; F637-L639 HydrophobicContact CE2-CD1 4.43Å; F637-L639 HydrophobicContact CE2-CD2 3.5Å; F637-L639 HydrophobicContact CE2-CG 3.74Å; F637-L639 PolarHBondContact O-N 3.08Å
640S68.1Low65.7Low1 Ų128.9 Ų28.91%0.00717%0.168CC..EExtended strand (participates in β ladder)trans-157.7118.5-157.5-910000107.4I520 K521 C638I520-S640 WeakPolarHBondContact CG2-OG 3.41Å; K521-S640 CarbonylContact O-C 3.54Å; K521-S640 VanDerWaalsContact O-CA 3.28Å; K521-S640 WeakPolarHBondContact O-CA 3.33Å; C638-S640 PolarHBondContact O-N 3.4Å; C638-S640 PolarHBondContact SG-O 3.04Å
641K68.3Low65.3Low42 Ų4228.8 Ų28.818%0.18317%0.167CC..EExtended strand (participates in β ladder)trans-102137.9177.8-85.7168.4-173-165.40109.6I520 K521 T523I520-K641 WeakPolarHBondContact CA-O 3.42Å; K521-K641 HydrophobicContact CG-CB 4.34Å; K521-K641 PolarHBondContact N-O 3.03Å; K521-K641 PolarHBondContact O-N 3.27Å; T523-K641 HydrophobicContact CG2-CB 4.03Å; T523-K641 HydrophobicContact CG2-CD 3.63Å; T523-K641 HydrophobicContact CG2-CG 3.46Å; T523-K641 VanDerWaalsContact CG2-CG 3.46Å
642P70.3Confident65Low29 Ų2930.7 Ų30.719%0.18818%0.177CC..EExtended strand (participates in β ladder)trans-65.6137171.828.2-32.6000109.9L419 L518 C519L419-P642 HydrophobicContact CD2-CG 4.42Å; L518-P642 HydrophobicContact CD1-CB 3.95Å; C519-P642 CarbonylContact O-C 3.57Å; C519-P642 WeakPolarHBondContact O-CA 3.47Å
643V77.6Confident64.9Low1 Ų131 Ų311%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-116129.8163.8-1710000107.7F388 L392 D397 C519 K521F388-V643 HydrophobicContact CE2-CG1 3.89Å; F388-V643 HydrophobicContact CZ-CG1 4.33Å; L392-V643 HydrophobicContact CD2-CB 4.05Å; L392-V643 HydrophobicContact CD2-CG1 4.02Å; L392-V643 HydrophobicContact CD2-CG2 4.16Å; D397-V643 WeakPolarHBondContact O-CA 3.22Å; C519-V643 PolarHBondContact N-O 2.82Å; C519-V643 PolarHBondContact O-N 3.44Å; K521-V643 HydrophobicContact CB-CG2 3.9Å; K521-V643 HydrophobicContact CD-CG2 3.34Å; K521-V643 HydrophobicContact CG-CG2 3.48Å; K521-V643 VanDerWaalsContact CG-CG2 3.48Å
644T80Confident64.6Low4 Ų437.6 Ų37.63%0.02521%0.209CC..EExtended strand (participates in β ladder)trans-120.7126.8-174.6-48.50000110.7D397 V399 R415 V515 H517 L518 Y646D397-T644 PolarHBondContact O-N 3.1Å; V399-T644 PolarHBondContact N-O 3.41Å; R415-T644 PolarHBondContact NH1-OG1 3.44Å; R415-T644 PolarHBondContact NH2-OG1 3.45Å; V515-T644 HydrophobicContact CB-CG2 4.34Å; V515-T644 HydrophobicContact CG1-CG2 3.66Å; V515-T644 HydrophobicContact CG2-CG2 3.88Å; H517-T644 WeakPolarHBondContact O-CA 3.46Å; L518-T644 HydrophobicContact CD1-CG2 4.3Å; L518-T644 WeakPolarHBondContact CD1-OG1 3.49Å; T644-Y646 HydrophobicContact CG2-CD1 4.45Å; T644-Y646 HydrophobicContact CG2-CD2 3.99Å; T644-Y646 HydrophobicContact CG2-CE1 4.02Å; T644-Y646 HydrophobicContact CG2-CE2 3.49Å; T644-Y646 VanDerWaalsContact CG2-CE2 3.49Å; T644-Y646 HydrophobicContact CG2-CG 4.45Å
645L85.9Confident64Low0 Ų041.8 Ų41.80%024%0.238CC..EExtended strand (participates in β ladder)trans-95.4116.6169.1-176.963000108.8W385 F388 V399 V401 V515 A516 H517 W647W385-L645 HydrophobicContact CE3-CD2 4.05Å; W385-L645 HydrophobicContact CH2-CD2 3.77Å; W385-L645 HydrophobicContact CZ2-CD2 4.33Å; W385-L645 HydrophobicContact CZ3-CD2 3.6Å; F388-L645 HydrophobicContact CD2-CB 4Å; F388-L645 HydrophobicContact CD2-CD1 3.99Å; F388-L645 HydrophobicContact CD2-CD2 4.35Å; F388-L645 HydrophobicContact CD2-CG 4.35Å; F388-L645 HydrophobicContact CE2-CB 3.75Å; F388-L645 HydrophobicContact CG-CD1 4.47Å; F388-L645 HydrophobicContact CG-CD2 4.22Å; F388-L645 HydrophobicContact CZ-CB 4.16Å; V399-L645 HydrophobicContact CB-CD1 3.87Å; V399-L645 HydrophobicContact CG1-CD1 3.55Å; V399-L645 CarbonylContact O-C 3.47Å; V399-L645 WeakPolarHBondContact O-CA 3.18Å; V401-L645 HydrophobicContact CG2-CD1 3.69Å; V515-L645 CarbonylContact C-O 3.58Å; A516-L645 WeakPolarHBondContact CA-O 3.47Å; A516-L645 HydrophobicContact CB-CD2 4.33Å; A516-L645 HydrophobicContact CB-CG 4.23Å; A516-L645 PolarHBondContact N-O 3.39Å; H517-L645 HydrophobicContact CB-CB 3.99Å; H517-L645 HydrophobicContact CB-CD2 4.33Å; H517-L645 PolarHBondContact N-O 3.37Å; H517-L645 VanDerWaalsContact N-O 3.12Å; H517-L645 PolarHBondContact O-N 3.14Å; L645-W647 HydrophobicContact CD2-CE3 4.01Å; L645-W647 HydrophobicContact CD2-CZ3 4.22Å; L645-W647 HydrophobicContact CG-CE3 4.38Å
646Y86.7Confident64.9Low4 Ų437.4 Ų37.42%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-101.9128173.1-66.3-81.5000109.3N398 V399 F400 V401 T411 R415 I513 P514 V515 T644N398-Y646 HydrophobicContact CB-CE2 4.45Å; N398-Y646 WeakPolarHBondContact OD1-CE2 3.32Å; V399-Y646 PolarHBondContact O-N 2.97Å; F400-Y646 CarbonylContact C-O 3.58Å; F400-Y646 WeakPolarHBondContact CA-O 3.11Å; F400-Y646 VanDerWaalsContact CD1-CB 3.46Å; F400-Y646 AromaticContact CD1-CD2 3.99Å; F400-Y646 HydrophobicContact CD1-CD2 3.99Å; F400-Y646 AromaticContact CD1-CG 3.87Å; F400-Y646 HydrophobicContact CD1-CG 3.87Å; F400-Y646 HydrophobicContact CD2-CD2 4.5Å; F400-Y646 HydrophobicContact CE1-CD1 4.25Å; F400-Y646 AromaticContact CE1-CD2 3.59Å; F400-Y646 HydrophobicContact CE1-CD2 3.59Å; F400-Y646 HydrophobicContact CE1-CE2 4.2Å; F400-Y646 AromaticContact CE1-CG 3.6Å; F400-Y646 HydrophobicContact CE1-CG 3.6Å; F400-Y646 HydrophobicContact CE2-CD2 4.14Å; F400-Y646 HydrophobicContact CG-CD2 4.43Å; F400-Y646 AromaticContact CZ-CD2 3.67Å; F400-Y646 HydrophobicContact CZ-CD2 3.67Å; F400-Y646 AromaticContact CZ-CE2 3.94Å; F400-Y646 HydrophobicContact CZ-CE2 3.94Å; F400-Y646 HydrophobicContact CZ-CG 4.17Å; V401-Y646 PolarHBondContact N-O 2.75Å; T411-Y646 HydrophobicContact CG2-CD1 3.77Å; T411-Y646 HydrophobicContact CG2-CE1 3.37Å; T411-Y646 HydrophobicContact CG2-CE2 4.37Å; T411-Y646 HydrophobicContact CG2-CG 4.39Å; R415-Y646 WeakPolarHBondContact CD-OH 3.28Å; R415-Y646 PolarHBondContact NH1-OH 2.75Å; I513-Y646 HydrophobicContact CB-CD1 4.43Å; I513-Y646 WeakPolarHBondContact O-CD1 3.36Å; P514-Y646 WeakPolarHBondContact O-CA 3.43Å; V515-Y646 HydrophobicContact CG2-CD1 3.94Å; V515-Y646 HydrophobicContact CG2-CE1 3.46Å; V515-Y646 VanDerWaalsContact CG2-CE1 3.46Å; T644-Y646 HydrophobicContact CG2-CD1 4.45Å; T644-Y646 HydrophobicContact CG2-CD2 3.99Å; T644-Y646 HydrophobicContact CG2-CE1 4.02Å; T644-Y646 HydrophobicContact CG2-CE2 3.49Å; T644-Y646 VanDerWaalsContact CG2-CE2 3.49Å; T644-Y646 HydrophobicContact CG2-CG 4.45Å
647W85.1Confident65.9Low3 Ų335.7 Ų35.71%0.01122%0.218CC..EExtended strand (participates in β ladder)trans-123.6116.8-175.5-159.8-66.8000111.2V384 V401 I513 P514 A516 L645 T649 C651 V653V384-W647 HydrophobicContact CB-CH2 3.67Å; V384-W647 HydrophobicContact CB-CZ3 3.87Å; V384-W647 HydrophobicContact CG1-CE3 4.02Å; V384-W647 HydrophobicContact CG1-CH2 3.64Å; V384-W647 HydrophobicContact CG1-CZ3 3.31Å; V384-W647 HydrophobicContact CG2-CH2 4.13Å; V401-W647 HydrophobicContact CB-CD2 4.26Å; V401-W647 HydrophobicContact CB-CG 4.37Å; V401-W647 HydrophobicContact CG1-CD2 4.27Å; V401-W647 HydrophobicContact CG2-CD2 4.3Å; V401-W647 HydrophobicContact CG2-CE3 4.06Å; I513-W647 VanDerWaalsContact CG2-C 3.48Å; I513-W647 WeakPolarHBondContact CG2-O 3.22Å; P514-W647 WeakPolarHBondContact CG-O 3.34Å; P514-W647 PolarHBondContact O-N 2.7Å; A516-W647 HydrophobicContact CB-CB 3.54Å; A516-W647 HydrophobicContact CB-CE3 4.4Å; A516-W647 HydrophobicContact CB-CG 4.46Å; L645-W647 HydrophobicContact CD2-CE3 4.01Å; L645-W647 HydrophobicContact CD2-CZ3 4.22Å; L645-W647 HydrophobicContact CG-CE3 4.38Å; W647-T649 PolarHBondContact O-N 3.25Å; W647-C651 PolarHBondContact NE1-O 2.81Å; W647-V653 HydrophobicContact CD2-CG2 4.13Å; W647-V653 HydrophobicContact CG-CG2 3.92Å
648S77.5Confident66.4Low17 Ų1737 Ų3712%0.11923%0.227CC..  trans-63.6126.7177.4-175.50000110.6V401 N402 G650 C651V401-S648 WeakPolarHBondContact O-CB 3.41Å; V401-S648 PolarHBondContact O-N 3.13Å; N402-S648 VanDerWaalsContact O-CB 3.31Å; N402-S648 WeakPolarHBondContact O-CB 3.36Å; N402-S648 PolarHBondContact O-OG 3.21Å; S648-G650 PolarHBondContact O-N 2.95Å; S648-C651 PolarHBondContact O-N 3.18Å
649T61.4Low66.9Low50 Ų5038.5 Ų38.531%0.30724%0.236SC..THydrogen-bonded Turntrans-620.5-173.453.30000115.4K506 P514 W647K506-T649 HydrophobicContact CB-CG2 4.03Å; K506-T649 WeakPolarHBondContact CD-OG1 3.31Å; K506-T649 WeakPolarHBondContact CE-OG1 3.48Å; K506-T649 HydrophobicContact CG-CG2 4.11Å; K506-T649 VanDerWaalsContact CG-OG1 3.31Å; K506-T649 WeakPolarHBondContact CG-OG1 3.45Å; P514-T649 HydrophobicContact CG-CG2 3.61Å; W647-T649 PolarHBondContact O-N 3.25Å
650G57.4Low67Low64 Ų6440.8 Ų40.866%0.6625%0.25SC*.THydrogen-bonded Turntrans-81.4-8.3172.500000114.8S648S648-G650 PolarHBondContact O-N 2.95Å
651C52.6Low66.9Low32 Ų3243.5 Ų43.522%0.21627%0.266CS..SBendtrans-117.6138.6-175.6-64.50000111.7N402 W647 S648 V653N402-C651 PolarHBondContact ND2-SG 3.45Å; W647-C651 PolarHBondContact NE1-O 2.81Å; S648-C651 PolarHBondContact O-N 3.18Å; C651-V653 PolarHBondContact O-N 3.13Å
652N53.3Low66.8Low126 Ų12643.6 Ų43.667%0.67427%0.272SS*.  trans-61.6117.4173.7-77.5-19.1000109.6F654N652-F654 VanDerWaalsContact C-N 3.34Å
653V55.2Low66.5Low18 Ų1844.7 Ų44.711%0.10928%0.278CS..SBendtrans-74.7-30.1178.5-179.90000111.3W385 L503 W647 C651W385-V653 HydrophobicContact CZ2-CG1 4.46Å; L503-V653 HydrophobicContact CD2-CG2 4.14Å; W647-V653 HydrophobicContact CD2-CG2 4.13Å; W647-V653 HydrophobicContact CG-CG2 3.92Å; C651-V653 PolarHBondContact O-N 3.13Å
654F51.6Low65.6Low137 Ų13748.3 Ų48.360%0.60130%0.301SS*.  trans-131.394.1177.6-49.7-74.9000107.3L501 L503 N652L501-F654 HydrophobicContact CD1-CZ 4.42Å; L503-F654 HydrophobicContact CD1-CE2 4Å; N652-F654 VanDerWaalsContact C-N 3.34Å
655S40.2Very low64.3Low125 Ų12552.4 Ų52.487%0.87433%0.326SS*.  trans-1030166.562.10000110.7S381S381-S655 PolarHBondContact OG-OG 3.11Å; S381-S655 VanDerWaalsContact OG-OG 3.1Å

Retrieved 655 of 655 residues in 220.2 ms (Link to these results)

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