A0A087WW00_HUMAN Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB (A0A671GAM6), UniProt , Accession A0A087WW00, Species HUMAN (Homo sapiens, Human), Gene UBE2D1, Length 109 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
1M58.3Low81.5Confident111 Ų11164.9 Ų64.955%0.54740%0.395SS..  0145.80-78.1171.4168.900108.2L72M1-L72 HydrophobicContact CE-CB 4.02Å; M1-L72 HydrophobicContact CE-CD1 3.21Å; M1-L72 HydrophobicContact CE-CG 4.25Å
2T57.9Low82.8Confident75 Ų7562.1 Ų62.146%0.4637%0.373SS..  trans-66.9148.1177.849.70000110.6D4 S5T2-D4 PolarHBondContact O-N 3.39Å; T2-S5 WeakPolarHBondContact O-CB 3.42Å; T2-S5 PolarHBondContact O-N 2.94Å; T2-S5 VanDerWaalsContact O-N 3.15Å
3P60.9Low84Confident91 Ų9167.5 Ų67.559%0.59139%0.389SS*.THydrogen-bonded Turntrans-58.1-16.7177.6-23.833.2000114.6Q8P3-Q8 PolarHBondContact O-OE1 3.19Å
4D70.1Confident85Confident142 Ų14266.6 Ų66.676%0.75938%0.382SS*.THydrogen-bonded Turntrans-100.54.2-178.6-59-51.1000113.9T2T2-D4 PolarHBondContact O-N 3.39Å
5S85.6Confident85.8Confident12 Ų1267.1 Ų67.18%0.08439%0.387CS..  trans-67.7138.9179.1-178.40000111.6T2 Y7 Q8T2-S5 WeakPolarHBondContact O-CB 3.42Å; T2-S5 PolarHBondContact O-N 2.94Å; T2-S5 VanDerWaalsContact O-N 3.15Å; S5-Y7 PolarHBondContact O-N 3.24Å; S5-Y7 WeakPolarHBondContact OG-CD2 3.3Å; S5-Y7 PolarHBondContact OG-N 3.04Å; S5-Q8 WeakPolarHBondContact O-CB 3.48Å; S5-Q8 PolarHBondContact O-N 2.91Å; S5-Q8 VanDerWaalsContact O-N 3.07Å
6A92.4Very high86.5Confident6 Ų666.4 Ų66.45%0.0538%0.384CS..THydrogen-bonded Turntrans-62.8-11.7173.300000113.7A100 R101 T104A6-A100 HydrophobicContact CB-CB 3.52Å; A6-R101 HydrophobicContact CB-CG 4.07Å; A6-R101 WeakPolarHBondContact O-CA 3.33Å; A6-R101 WeakPolarHBondContact O-CG 3.39Å; A6-T104 PolarHBondContact O-OG1 3.37Å
7Y95.4Very high87.2Confident2 Ų269.8 Ų69.81%0.00840%0.395CS..THydrogen-bonded Turntrans-1004.8178.3-51.4-67.9000113.8S5 G9 G10 F12 I35 Y36 H37 L72 Y96 A100S5-Y7 PolarHBondContact O-N 3.24Å; S5-Y7 WeakPolarHBondContact OG-CD2 3.3Å; S5-Y7 PolarHBondContact OG-N 3.04Å; Y7-G9 PolarHBondContact O-N 2.95Å; Y7-G10 PolarHBondContact O-N 2.92Å; Y7-F12 AromaticContact CD1-CZ 3.96Å; Y7-F12 HydrophobicContact CD1-CZ 3.96Å; Y7-F12 HydrophobicContact CG-CZ 4.42Å; Y7-I35 HydrophobicContact CD1-CD1 3.88Å; Y7-I35 HydrophobicContact CD1-CG1 4.02Å; Y7-I35 HydrophobicContact CE1-CD1 3.7Å; Y7-I35 HydrophobicContact CE1-CG1 3.57Å; Y7-Y36 PolarHBondContact OH-O 3.06Å; Y7-H37 AromaticContact CZ-CD2 3.86Å; Y7-H37 PolarHBondContact OH-CD2 2.77Å; Y7-H37 VanDerWaalsContact OH-CD2 3.23Å; Y7-L72 HydrophobicContact CD2-CB 4Å; Y7-L72 HydrophobicContact CD2-CD2 4.45Å; Y7-L72 WeakPolarHBondContact CD2-O 3.44Å; Y7-L72 HydrophobicContact CE2-CB 4.23Å; Y7-L72 HydrophobicContact CE2-CD2 4.25Å; Y7-L72 WeakPolarHBondContact CE2-O 3.38Å; Y7-Y96 PolarHBondContact OH-OH 2.71Å; Y7-A100 HydrophobicContact CE1-CB 4.07Å
8Q92.3Very high87.7Confident112 Ų11271.5 Ų71.552%0.52340%0.398SS..THydrogen-bonded Turntrans-56.7137.6-179.7-173.6-170.314.400111.7P3 S5 G10P3-Q8 PolarHBondContact O-OE1 3.19Å; S5-Q8 WeakPolarHBondContact O-CB 3.48Å; S5-Q8 PolarHBondContact O-N 2.91Å; S5-Q8 VanDerWaalsContact O-N 3.07Å; Q8-G10 PolarHBondContact O-N 3.19Å
9G91.9Very high88.2Confident60 Ų6069.2 Ų69.262%0.61939%0.386SS*.THydrogen-bonded Turntrans81.5-12.2179.300000114.6Y7Y7-G9 PolarHBondContact O-N 2.95Å
10G95.4Very high88.7Confident18 Ų1873.6 Ų73.619%0.18642%0.415CS..  trans-79.5143.8176.100000113.9Y7 Q8 A108Y7-G10 PolarHBondContact O-N 2.92Å; Q8-G10 PolarHBondContact O-N 3.19Å; G10-A108 CarbonylContact C-O 3.52Å; G10-A108 WeakPolarHBondContact CA-O 3.39Å
11V96.6Very high89Confident85 Ų8572.3 Ų72.352%0.51541%0.407SS..  trans-105.2115.4168.4-177.40000108.7F13 A108V11-F13 HydrophobicContact CG1-CE1 4.38Å; V11-F13 HydrophobicContact CG1-CE2 4.12Å; V11-F13 HydrophobicContact CG1-CZ 3.91Å; V11-A108 PolarHBondContact N-O 3.35Å
12F97.3Very high90.8Very high31 Ų3170.7 Ų70.714%0.13640%0.396CS..  trans-111.2123.5-178.3-59-91.2000110.3Y7 F31 T33 I35 T104 A108Y7-F12 AromaticContact CD1-CZ 3.96Å; Y7-F12 HydrophobicContact CD1-CZ 3.96Å; Y7-F12 HydrophobicContact CG-CZ 4.42Å; F12-F31 HydrophobicContact CB-CD1 4.1Å; F12-F31 HydrophobicContact CB-CE1 3.77Å; F12-F31 HydrophobicContact CD1-CD1 4.46Å; F12-F31 HydrophobicContact CD1-CE1 4.31Å; F12-F31 HydrophobicContact CG-CE1 4.23Å; F12-T33 HydrophobicContact CD1-CG2 3.78Å; F12-T33 HydrophobicContact CE1-CG2 4.35Å; F12-I35 HydrophobicContact CD1-CB 4.36Å; F12-I35 HydrophobicContact CD1-CD1 3.98Å; F12-I35 HydrophobicContact CD1-CG1 4.38Å; F12-I35 HydrophobicContact CE1-CB 4.12Å; F12-I35 HydrophobicContact CE1-CD1 3.72Å; F12-I35 HydrophobicContact CE1-CG1 3.85Å; F12-I35 HydrophobicContact CZ-CD1 4.24Å; F12-T104 HydrophobicContact CZ-CG2 4.08Å; F12-A108 HydrophobicContact CD1-CB 3.98Å; F12-A108 HydrophobicContact CD2-CB 4.49Å; F12-A108 HydrophobicContact CE1-CB 3.55Å; F12-A108 HydrophobicContact CE2-CB 4.12Å; F12-A108 HydrophobicContact CG-CB 4.43Å; F12-A108 HydrophobicContact CZ-CB 3.63Å
13F97.4Very high92.6Very high133 Ų13369.2 Ų69.258%0.58339%0.387SS*.  trans-91.6142.5176.6-63.4-77.1000110.5V11 T32 T33V11-F13 HydrophobicContact CG1-CE1 4.38Å; V11-F13 HydrophobicContact CG1-CE2 4.12Å; V11-F13 HydrophobicContact CG1-CZ 3.91Å; F13-T32 WeakPolarHBondContact CB-OG1 3.2Å; F13-T32 PolarHBondContact O-N 2.94Å; F13-T32 PolarHBondContact O-OG1 3.31Å; F13-T33 WeakPolarHBondContact CD2-OG1 3.27Å; F13-T33 PolarHBondContact N-OG1 3.47Å; F13-T33 PolarHBondContact O-N 3.4Å
14L97.9Very high94.3Very high54 Ų5472.6 Ų72.628%0.28339%0.393SS..EExtended strand (participates in β ladder)trans-131.6143.5177.4-59.394.6000109.9I29 A30 F31 I46 I68L14-I29 HydrophobicContact CB-CG2 4.28Å; L14-I29 HydrophobicContact CD2-CG2 3.7Å; L14-A30 CarbonylContact C-O 3.15Å; L14-A30 WeakPolarHBondContact CA-O 3.41Å; L14-F31 HydrophobicContact CD1-CE1 4.37Å; L14-F31 HydrophobicContact CD2-CD1 4.44Å; L14-F31 HydrophobicContact CD2-CD2 3.87Å; L14-F31 HydrophobicContact CD2-CE1 4.26Å; L14-F31 HydrophobicContact CD2-CE2 3.66Å; L14-F31 HydrophobicContact CD2-CG 4.25Å; L14-F31 HydrophobicContact CD2-CZ 3.87Å; L14-F31 HydrophobicContact CG-CD1 4.22Å; L14-F31 HydrophobicContact CG-CD2 4.39Å; L14-F31 HydrophobicContact CG-CE1 4.29Å; L14-F31 HydrophobicContact CG-CE2 4.44Å; L14-F31 HydrophobicContact CG-CG 4.27Å; L14-F31 HydrophobicContact CG-CZ 4.39Å; L14-I46 HydrophobicContact CD2-CD1 4.31Å; L14-I68 HydrophobicContact CD2-CD1 4.22Å
15T97.8Very high95.5Very high75 Ų7571.2 Ų71.246%0.4638%0.38SS..EExtended strand (participates in β ladder)trans-92.9137.7165.450.30000109.9I29 A30 T32T15-I29 WeakPolarHBondContact O-CA 3.41Å; T15-A30 PolarHBondContact N-O 3.49Å; T15-A30 PolarHBondContact O-N 2.96Å; T15-A30 VanDerWaalsContact O-N 3.12Å; T15-A30 PolarHBondContact OG1-O 3.36Å; T15-T32 HydrophobicContact CG2-CG2 3.54Å
16V97.2Very high96.1Very high56 Ų5672.2 Ų72.234%0.33939%0.386SS..EExtended strand (participates in β ladder)trans-122.3122.6174.4-176.20000108.4F18 P27 K28 I29V16-F18 HydrophobicContact CG1-CD2 4.44Å; V16-F18 HydrophobicContact CG1-CE1 4.37Å; V16-F18 HydrophobicContact CG1-CE2 3.86Å; V16-F18 HydrophobicContact CG1-CZ 3.83Å; V16-P27 HydrophobicContact CG1-CB 4.12Å; V16-K28 WeakPolarHBondContact CA-O 3.42Å; V16-I29 HydrophobicContact CG1-CG1 4.27Å; V16-I29 HydrophobicContact CG2-CD1 4.39Å; V16-I29 HydrophobicContact CG2-CG1 4.23Å; V16-I29 HydrophobicContact CG2-CG2 4.47Å
17H97.4Very high96.3Very high123 Ų12372.1 Ų72.157%0.56939%0.385SS*.EExtended strand (participates in β ladder)trans-123.2117.7177.2-177.883.6000110.3P27 K28H17-P27 CarbonylContact O-C 3.53Å; H17-P27 WeakPolarHBondContact O-CA 3.33Å; H17-K28 HydrophobicContact CB-CB 4.33Å; H17-K28 PolarHBondContact N-O 3.05Å; H17-K28 PolarHBondContact O-N 2.95Å
18F97.2Very high96.3Very high101 Ų10179.4 Ų79.444%0.44342%0.417SS..  trans-85.1129.2178.4-62.1-85.3000110.3V16 Y22 P27 V61V16-F18 HydrophobicContact CG1-CD2 4.44Å; V16-F18 HydrophobicContact CG1-CE1 4.37Å; V16-F18 HydrophobicContact CG1-CE2 3.86Å; V16-F18 HydrophobicContact CG1-CZ 3.83Å; F18-Y22 HydrophobicContact CD1-CD1 4.05Å; F18-Y22 AromaticContact CD1-CD2 3.77Å; F18-Y22 HydrophobicContact CD1-CD2 3.77Å; F18-Y22 HydrophobicContact CD1-CE1 4.16Å; F18-Y22 AromaticContact CD1-CE2 3.88Å; F18-Y22 HydrophobicContact CD1-CE2 3.88Å; F18-Y22 AromaticContact CD1-CG 3.85Å; F18-Y22 HydrophobicContact CD1-CG 3.85Å; F18-Y22 HydrophobicContact CE1-CD2 4.39Å; F18-Y22 HydrophobicContact CE1-CE1 4.24Å; F18-Y22 HydrophobicContact CE1-CE2 4.03Å; F18-Y22 AromaticContact CE1-CZ 3.96Å; F18-P27 HydrophobicContact CD1-CB 3.96Å; F18-P27 HydrophobicContact CE1-CB 4.12Å; F18-V61 HydrophobicContact CE1-CG2 3.62Å; F18-V61 HydrophobicContact CZ-CG2 3.73Å
19P96.9Very high96.6Very high28 Ų2874.7 Ų74.718%0.18240%0.395CS..  trans-71.2161170.733.9-37.7000110.7D21 Y22 K25 P26P19-D21 WeakPolarHBondContact CB-OD1 3.49Å; P19-D21 PolarHBondContact O-N 3Å; P19-Y22 WeakPolarHBondContact O-CB 3.31Å; P19-Y22 PolarHBondContact O-N 3.49Å; P19-Y22 VanDerWaalsContact O-N 3.11Å; P19-K25 HydrophobicContact CB-CB 4.41Å; P19-K25 HydrophobicContact CG-CB 3.75Å; P19-P26 WeakPolarHBondContact CD-O 3.47Å; P19-P26 WeakPolarHBondContact CG-O 3.44Å
20T97.6Very high96.8Very high156 Ų15673 Ų7396%0.95738%0.375SS*.THydrogen-bonded Turntrans-61.8-23.9-179.548.70000113.9
21D96.2Very high97Very high48 Ų4872.6 Ų72.626%0.25737%0.368SS..THydrogen-bonded Turntrans-103.719179.657.1-6.3000112.8P19 F24 K25P19-D21 WeakPolarHBondContact CB-OD1 3.49Å; P19-D21 PolarHBondContact O-N 3Å; D21-F24 WeakPolarHBondContact O-CA 3.36Å; D21-F24 VanDerWaalsContact O-CB 3.3Å; D21-F24 WeakPolarHBondContact O-CB 3.49Å; D21-F24 PolarHBondContact O-N 3.47Å; D21-K25 PolarHBondContact O-N 3.3Å; D21-K25 WeakPolarHBondContact OD1-CB 3.33Å; D21-K25 WeakPolarHBondContact OD1-CD 3.2Å; D21-K25 WeakPolarHBondContact OD1-CG 3.15Å; D21-K25 WeakPolarHBondContact OD2-CD 3.45Å; D21-K25 WeakPolarHBondContact OD2-CE 3.24Å; D21-K25 VanDerWaalsContact OD2-CG 3.31Å; D21-K25 WeakPolarHBondContact OD2-CG 3.46Å; D21-K25 IonicContact OD2-NZ 3.96Å; D21-K25 PolarHBondContact OD2-NZ 3.21Å
22Y96.1Very high97Very high77 Ų7772.6 Ų72.630%0.30237%0.368SS..THydrogen-bonded Turntrans-59.5135.1167.2-176.6-93.9000110.2F18 P19 K25 P27 W55F18-Y22 HydrophobicContact CD1-CD1 4.05Å; F18-Y22 AromaticContact CD1-CD2 3.77Å; F18-Y22 HydrophobicContact CD1-CD2 3.77Å; F18-Y22 HydrophobicContact CD1-CE1 4.16Å; F18-Y22 AromaticContact CD1-CE2 3.88Å; F18-Y22 HydrophobicContact CD1-CE2 3.88Å; F18-Y22 AromaticContact CD1-CG 3.85Å; F18-Y22 HydrophobicContact CD1-CG 3.85Å; F18-Y22 HydrophobicContact CE1-CD2 4.39Å; F18-Y22 HydrophobicContact CE1-CE1 4.24Å; F18-Y22 HydrophobicContact CE1-CE2 4.03Å; F18-Y22 AromaticContact CE1-CZ 3.96Å; P19-Y22 WeakPolarHBondContact O-CB 3.31Å; P19-Y22 PolarHBondContact O-N 3.49Å; P19-Y22 VanDerWaalsContact O-N 3.11Å; Y22-K25 WeakPolarHBondContact CD2-O 3.41Å; Y22-P27 HydrophobicContact CE2-CG 4.36Å; Y22-W55 HydrophobicContact CD2-CZ2 4.17Å; Y22-W55 AromaticContact CE2-CH2 3.74Å; Y22-W55 HydrophobicContact CE2-CH2 3.74Å; Y22-W55 AromaticContact CE2-CZ2 3.63Å; Y22-W55 HydrophobicContact CE2-CZ2 3.63Å
23P95.7Very high97Very high43 Ų4371.8 Ų71.828%0.27937%0.366SS..THydrogen-bonded Turncis-95.614.29.738-36.3000115.4K25 W55 P57P23-K25 VanDerWaalsContact C-N 3.33Å; P23-W55 HydrophobicContact CB-CZ2 4.41Å; P23-W55 PolarHBondContact O-NE1 3.27Å; P23-P57 HydrophobicContact CB-CB 4.2Å; P23-P57 HydrophobicContact CG-CB 4.11Å; P23-P57 WeakPolarHBondContact O-CA 3.41Å
24F96.3Very high97Very high162 Ų16271.2 Ų71.271%0.71136%0.363SS*.THydrogen-bonded Turntrans-73.1-25.3177.3-57.4-75.3000113D21 P57D21-F24 WeakPolarHBondContact O-CA 3.36Å; D21-F24 VanDerWaalsContact O-CB 3.3Å; D21-F24 WeakPolarHBondContact O-CB 3.49Å; D21-F24 PolarHBondContact O-N 3.47Å; F24-P57 HydrophobicContact CD1-CG 4.2Å
25K95.8Very high97Very high114 Ų11469.2 Ų69.250%0.49635%0.353SS..SBendtrans-112.8149165.3-70.9-169.5-173.7132.50111.9P19 D21 Y22 P23P19-K25 HydrophobicContact CB-CB 4.41Å; P19-K25 HydrophobicContact CG-CB 3.75Å; D21-K25 PolarHBondContact O-N 3.3Å; D21-K25 WeakPolarHBondContact OD1-CB 3.33Å; D21-K25 WeakPolarHBondContact OD1-CD 3.2Å; D21-K25 WeakPolarHBondContact OD1-CG 3.15Å; D21-K25 WeakPolarHBondContact OD2-CD 3.45Å; D21-K25 WeakPolarHBondContact OD2-CE 3.24Å; D21-K25 VanDerWaalsContact OD2-CG 3.31Å; D21-K25 WeakPolarHBondContact OD2-CG 3.46Å; D21-K25 IonicContact OD2-NZ 3.96Å; D21-K25 PolarHBondContact OD2-NZ 3.21Å; Y22-K25 WeakPolarHBondContact CD2-O 3.41Å; P23-K25 VanDerWaalsContact C-N 3.33Å
26P96.7Very high97Very high33 Ų3366.8 Ų66.821%0.21434%0.335CS..PPolyproline II helixtrans-66.3151.7178.425.7-32.6000111.9P19 L51 W55P19-P26 WeakPolarHBondContact CD-O 3.47Å; P19-P26 WeakPolarHBondContact CG-O 3.44Å; P26-L51 WeakPolarHBondContact CG-O 3.5Å; P26-W55 HydrophobicContact CB-CB 4.02Å; P26-W55 HydrophobicContact CB-CD2 3.52Å; P26-W55 HydrophobicContact CB-CE3 3.74Å; P26-W55 HydrophobicContact CB-CG 3.63Å; P26-W55 HydrophobicContact CB-CZ3 4.46Å; P26-W55 HydrophobicContact CG-CB 4.14Å; P26-W55 HydrophobicContact CG-CD2 4.44Å; P26-W55 HydrophobicContact CG-CG 4.04Å
27P97.1Very high97.1Very high3 Ų364.1 Ų64.12%0.01932%0.319CS..PPolyproline II helixtrans-67.4146.3167.231.1-32.1000109.6V16 H17 F18 Y22 I29 W55V16-P27 HydrophobicContact CG1-CB 4.12Å; H17-P27 CarbonylContact O-C 3.53Å; H17-P27 WeakPolarHBondContact O-CA 3.33Å; F18-P27 HydrophobicContact CD1-CB 3.96Å; F18-P27 HydrophobicContact CE1-CB 4.12Å; Y22-P27 HydrophobicContact CE2-CG 4.36Å; P27-I29 HydrophobicContact CB-CG1 4.48Å; P27-I29 HydrophobicContact CG-CD1 4.36Å; P27-I29 HydrophobicContact CG-CG1 4.38Å; P27-W55 HydrophobicContact CG-CH2 4.48Å
28K96.3Very high97.1Very high155 Ų15558.2 Ų58.267%0.67429%0.292SS*.EExtended strand (participates in β ladder)trans-82.3118.6169.6-64.3-178.4-179178.30108.4V16 H17V16-K28 WeakPolarHBondContact CA-O 3.42Å; H17-K28 HydrophobicContact CB-CB 4.33Å; H17-K28 PolarHBondContact N-O 3.05Å; H17-K28 PolarHBondContact O-N 2.95Å
29I97.4Very high97.1Very high13 Ų1353.5 Ų53.57%0.06727%0.271CS..EExtended strand (participates in β ladder)trans-118.3132.6177.1-53.3-173.4000109L14 T15 V16 P27 I46 L51 V64 I68L14-I29 HydrophobicContact CB-CG2 4.28Å; L14-I29 HydrophobicContact CD2-CG2 3.7Å; T15-I29 WeakPolarHBondContact O-CA 3.41Å; V16-I29 HydrophobicContact CG1-CG1 4.27Å; V16-I29 HydrophobicContact CG2-CD1 4.39Å; V16-I29 HydrophobicContact CG2-CG1 4.23Å; V16-I29 HydrophobicContact CG2-CG2 4.47Å; P27-I29 HydrophobicContact CB-CG1 4.48Å; P27-I29 HydrophobicContact CG-CD1 4.36Å; P27-I29 HydrophobicContact CG-CG1 4.38Å; I29-I46 HydrophobicContact CB-CD1 4.45Å; I29-I46 HydrophobicContact CG2-CD1 4Å; I29-L51 HydrophobicContact CB-CD1 4.35Å; I29-L51 HydrophobicContact CD1-CD2 4.3Å; I29-L51 HydrophobicContact CG1-CD2 4.38Å; I29-V64 HydrophobicContact CD1-CB 4.4Å; I29-V64 HydrophobicContact CD1-CG1 3.53Å; I29-I68 HydrophobicContact CD1-CD1 4.46Å; I29-I68 HydrophobicContact CG2-CD1 4.09Å
30A97.4Very high97.2Very high24 Ų2452.2 Ų52.220%0.19826%0.263CS..EExtended strand (participates in β ladder)trans-141.8145.1175.600000110.5L14 T15 G44L14-A30 CarbonylContact C-O 3.15Å; L14-A30 WeakPolarHBondContact CA-O 3.41Å; T15-A30 PolarHBondContact N-O 3.49Å; T15-A30 PolarHBondContact O-N 2.96Å; T15-A30 VanDerWaalsContact O-N 3.12Å; T15-A30 PolarHBondContact OG1-O 3.36Å; A30-G44 CarbonylContact C-O 3.39Å; A30-G44 VanDerWaalsContact CA-O 3.23Å; A30-G44 WeakPolarHBondContact CA-O 3.33Å
31F98.2Very high97.1Very high10 Ų1046.8 Ų46.84%0.04423%0.228CC..EExtended strand (participates in β ladder)trans-71.8134.8170-81.5-102.1000110.3F12 L14 I35 I40 G44 I46 I68 L72F12-F31 HydrophobicContact CB-CD1 4.1Å; F12-F31 HydrophobicContact CB-CE1 3.77Å; F12-F31 HydrophobicContact CD1-CD1 4.46Å; F12-F31 HydrophobicContact CD1-CE1 4.31Å; F12-F31 HydrophobicContact CG-CE1 4.23Å; L14-F31 HydrophobicContact CD1-CE1 4.37Å; L14-F31 HydrophobicContact CD2-CD1 4.44Å; L14-F31 HydrophobicContact CD2-CD2 3.87Å; L14-F31 HydrophobicContact CD2-CE1 4.26Å; L14-F31 HydrophobicContact CD2-CE2 3.66Å; L14-F31 HydrophobicContact CD2-CG 4.25Å; L14-F31 HydrophobicContact CD2-CZ 3.87Å; L14-F31 HydrophobicContact CG-CD1 4.22Å; L14-F31 HydrophobicContact CG-CD2 4.39Å; L14-F31 HydrophobicContact CG-CE1 4.29Å; L14-F31 HydrophobicContact CG-CE2 4.44Å; L14-F31 HydrophobicContact CG-CG 4.27Å; L14-F31 HydrophobicContact CG-CZ 4.39Å; F31-I35 HydrophobicContact CD1-CG2 4.34Å; F31-I35 HydrophobicContact CE1-CD1 4.23Å; F31-I35 HydrophobicContact CG-CG2 4.44Å; F31-I40 HydrophobicContact CB-CG2 4.34Å; F31-I40 HydrophobicContact CD2-CD1 3.85Å; F31-I40 HydrophobicContact CD2-CG1 4.37Å; F31-I40 HydrophobicContact CD2-CG2 3.94Å; F31-I40 HydrophobicContact CE1-CD1 4.49Å; F31-I40 HydrophobicContact CE2-CD1 3.43Å; F31-I40 VanDerWaalsContact CE2-CD1 3.43Å; F31-I40 HydrophobicContact CE2-CG1 4.24Å; F31-I40 HydrophobicContact CG-CG2 4.28Å; F31-I40 HydrophobicContact CZ-CD1 3.8Å; F31-G44 PolarHBondContact N-O 3.22Å; F31-G44 VanDerWaalsContact O-CA 3.31Å; F31-G44 WeakPolarHBondContact O-CA 3.38Å; F31-I46 HydrophobicContact CD2-CD1 3.7Å; F31-I46 HydrophobicContact CD2-CG1 3.8Å; F31-I46 HydrophobicContact CE2-CD1 3.61Å; F31-I46 HydrophobicContact CE2-CG1 3.97Å; F31-I68 HydrophobicContact CE2-CG2 3.92Å; F31-I68 HydrophobicContact CZ-CG2 3.78Å; F31-L72 HydrophobicContact CZ-CD1 4.22Å; F31-L72 HydrophobicContact CZ-CD2 4.48Å
32T97.6Very high97Very high85 Ų8550 Ų5052%0.52125%0.254SS..SBendtrans-98.8-27.7167.253.20000111.4F13 T15F13-T32 WeakPolarHBondContact CB-OG1 3.2Å; F13-T32 PolarHBondContact O-N 2.94Å; F13-T32 PolarHBondContact O-OG1 3.31Å; T15-T32 HydrophobicContact CG2-CG2 3.54Å
33T97.6Very high97Very high14 Ų1452.5 Ų52.59%0.08627%0.273CS..SBendtrans-75.2130.8168.8-57.30000110.3F12 F13 Y107 A108F12-T33 HydrophobicContact CD1-CG2 3.78Å; F12-T33 HydrophobicContact CE1-CG2 4.35Å; F13-T33 WeakPolarHBondContact CD2-OG1 3.27Å; F13-T33 PolarHBondContact N-OG1 3.47Å; F13-T33 PolarHBondContact O-N 3.4Å; T33-Y107 VanDerWaalsContact CG2-O 3.27Å; T33-Y107 WeakPolarHBondContact CG2-O 3.45Å; T33-A108 HydrophobicContact CG2-CB 3.92Å
34K97.1Very high97Very high121 Ų12150.7 Ų50.753%0.52626%0.262SS..  trans-63136.3174.1-68.5-177.4-179.31790110.4W103 Y107K34-W103 HydrophobicContact CB-CE3 4.25Å; K34-W103 HydrophobicContact CB-CZ3 4Å; K34-Y107 HydrophobicContact CB-CD1 4.32Å; K34-Y107 HydrophobicContact CB-CD2 3.93Å; K34-Y107 HydrophobicContact CB-CE2 4.44Å; K34-Y107 HydrophobicContact CB-CG 3.86Å; K34-Y107 HydrophobicContact CD-CD1 4.13Å; K34-Y107 HydrophobicContact CD-CE1 3.99Å; K34-Y107 HydrophobicContact CD-CG 4.46Å
35I97.9Very high97Very high12 Ų1245.5 Ų45.56%0.06225%0.245CC..  trans-142.2143.2-179-169.2170.1000110.5Y7 F12 F31 H37 I40 L72 W103Y7-I35 HydrophobicContact CD1-CD1 3.88Å; Y7-I35 HydrophobicContact CD1-CG1 4.02Å; Y7-I35 HydrophobicContact CE1-CD1 3.7Å; Y7-I35 HydrophobicContact CE1-CG1 3.57Å; F12-I35 HydrophobicContact CD1-CB 4.36Å; F12-I35 HydrophobicContact CD1-CD1 3.98Å; F12-I35 HydrophobicContact CD1-CG1 4.38Å; F12-I35 HydrophobicContact CE1-CB 4.12Å; F12-I35 HydrophobicContact CE1-CD1 3.72Å; F12-I35 HydrophobicContact CE1-CG1 3.85Å; F12-I35 HydrophobicContact CZ-CD1 4.24Å; F31-I35 HydrophobicContact CD1-CG2 4.34Å; F31-I35 HydrophobicContact CE1-CD1 4.23Å; F31-I35 HydrophobicContact CG-CG2 4.44Å; I35-H37 HydrophobicContact CG1-CB 4.28Å; I35-H37 HydrophobicContact CG2-CB 4.47Å; I35-I40 HydrophobicContact CD1-CD1 4.18Å; I35-I40 HydrophobicContact CG2-CB 3.89Å; I35-I40 HydrophobicContact CG2-CD1 3.85Å; I35-I40 HydrophobicContact CG2-CG1 4.49Å; I35-I40 HydrophobicContact CG2-CG2 3.59Å; I35-L72 HydrophobicContact CD1-CD1 4.48Å; I35-L72 HydrophobicContact CD1-CD2 3.48Å; I35-L72 VanDerWaalsContact CD1-CD2 3.48Å; I35-W103 VanDerWaalsContact C-CE3 3.46Å
36Y97.9Very high97Very high24 Ų2440.6 Ų40.69%0.09423%0.225CC..  trans-95.992176.7-174.8-94.7000109.6Y7 I85 I88 Y96 H99 A100 W103Y7-Y36 PolarHBondContact OH-O 3.06Å; Y36-I85 HydrophobicContact CD1-CD1 4.49Å; Y36-I85 HydrophobicContact CD1-CG2 4.18Å; Y36-I85 HydrophobicContact CD2-CD1 3.7Å; Y36-I85 HydrophobicContact CD2-CG1 4.27Å; Y36-I85 HydrophobicContact CE1-CD1 4.44Å; Y36-I85 HydrophobicContact CE1-CG1 4.29Å; Y36-I85 HydrophobicContact CE1-CG2 3.72Å; Y36-I85 HydrophobicContact CE2-CD1 3.64Å; Y36-I85 HydrophobicContact CE2-CG1 3.68Å; Y36-I85 HydrophobicContact CG-CD1 4.14Å; Y36-I88 WeakPolarHBondContact OH-CD1 3.34Å; Y36-Y96 HydrophobicContact CD1-CD2 4.25Å; Y36-Y96 HydrophobicContact CD1-CE2 4.25Å; Y36-Y96 AromaticContact CE1-CD2 3.86Å; Y36-Y96 HydrophobicContact CE1-CD2 3.86Å; Y36-Y96 HydrophobicContact CE1-CE2 4.27Å; Y36-H99 HydrophobicContact CD1-CB 3.98Å; Y36-H99 HydrophobicContact CE1-CB 3.7Å; Y36-H99 HydrophobicContact CE2-CB 4.35Å; Y36-H99 HydrophobicContact CG-CB 4.42Å; Y36-A100 HydrophobicContact CD1-CB 4.18Å; Y36-W103 HydrophobicContact CD2-CD2 4.33Å; Y36-W103 AromaticContact CD2-CE2 3.98Å; Y36-W103 HydrophobicContact CD2-CZ2 4.3Å; Y36-W103 HydrophobicContact CG-CD2 4.47Å; Y36-W103 HydrophobicContact CG-CG 4.42Å
37H98Very high96.9Very high0 Ų039.3 Ų39.30%022%0.217CC..BIsolated β-bridgetrans-147.1140-172.2-172.6-79.7000111.2Y7 I35 N39 I40 L71Y7-H37 AromaticContact CZ-CD2 3.86Å; Y7-H37 PolarHBondContact OH-CD2 2.77Å; Y7-H37 VanDerWaalsContact OH-CD2 3.23Å; I35-H37 HydrophobicContact CG1-CB 4.28Å; I35-H37 HydrophobicContact CG2-CB 4.47Å; H37-N39 VanDerWaalsContact C-N 3.34Å; H37-N39 PolarHBondContact CE1-OD1 2.85Å; H37-N39 VanDerWaalsContact CE1-OD1 3.24Å; H37-N39 PolarHBondContact ND1-N 3.43Å; H37-N39 PolarHBondContact O-N 2.88Å; H37-I40 HydrophobicContact CB-CB 4.1Å; H37-I40 HydrophobicContact CB-CD1 4Å; H37-I40 HydrophobicContact CB-CG1 4.2Å; H37-I40 PolarHBondContact O-N 3.39Å; H37-L71 PolarHBondContact NE2-O 3.14Å
38P97.7Very high96.7Very high0 Ų040 Ų400%022%0.22CC..THydrogen-bonded Turntrans-67.4-31-17526.5-35.1000113.7P75 P80 L81 V82 I85 A86P38-P75 HydrophobicContact CG-CB 3.36Å; P38-P75 HydrophobicContact CG-CG 4.27Å; P38-P80 HydrophobicContact CB-CB 4.4Å; P38-P80 CarbonylContact O-C 3.54Å; P38-L81 PolarHBondContact O-N 3.45Å; P38-V82 PolarHBondContact O-N 3.3Å; P38-I85 HydrophobicContact CB-CB 4.37Å; P38-I85 HydrophobicContact CB-CG2 4.06Å; P38-I85 HydrophobicContact CG-CG2 4.47Å; P38-A86 HydrophobicContact CB-CB 3.82Å
39N97.9Very high96.5Very high1 Ų136.8 Ų36.81%0.00521%0.21CC..THydrogen-bonded Turntrans-95.77.7178.1-47.798.9000114.4H37 C47 L71 N76 D79 L81H37-N39 VanDerWaalsContact C-N 3.34Å; H37-N39 PolarHBondContact CE1-OD1 2.85Å; H37-N39 VanDerWaalsContact CE1-OD1 3.24Å; H37-N39 PolarHBondContact ND1-N 3.43Å; H37-N39 PolarHBondContact O-N 2.88Å; N39-C47 HydrophobicContact CB-CB 4.37Å; N39-C47 PolarHBondContact O-N 3.23Å; N39-L71 HydrophobicContact CB-CD1 4.34Å; N39-L71 HydrophobicContact CB-CD2 3.94Å; N39-L71 HydrophobicContact CB-CG 4.42Å; N39-N76 PolarHBondContact ND2-O 2.78Å; N39-N76 PolarHBondContact OD1-N 3.3Å; N39-N76 PolarHBondContact OD1-O 3.04Å; N39-D79 PolarHBondContact ND2-O 3.07Å; N39-L81 WeakPolarHBondContact O-CD1 3.48Å
40I97.9Very high96.4Very high2 Ų237.2 Ų37.21%0.0121%0.212CC..BIsolated β-bridgetrans-129.5120177.7-52.5164.4000108.7F31 I35 H37 S45 I46 L72F31-I40 HydrophobicContact CB-CG2 4.34Å; F31-I40 HydrophobicContact CD2-CD1 3.85Å; F31-I40 HydrophobicContact CD2-CG1 4.37Å; F31-I40 HydrophobicContact CD2-CG2 3.94Å; F31-I40 HydrophobicContact CE1-CD1 4.49Å; F31-I40 HydrophobicContact CE2-CD1 3.43Å; F31-I40 VanDerWaalsContact CE2-CD1 3.43Å; F31-I40 HydrophobicContact CE2-CG1 4.24Å; F31-I40 HydrophobicContact CG-CG2 4.28Å; F31-I40 HydrophobicContact CZ-CD1 3.8Å; I35-I40 HydrophobicContact CD1-CD1 4.18Å; I35-I40 HydrophobicContact CG2-CB 3.89Å; I35-I40 HydrophobicContact CG2-CD1 3.85Å; I35-I40 HydrophobicContact CG2-CG1 4.49Å; I35-I40 HydrophobicContact CG2-CG2 3.59Å; H37-I40 HydrophobicContact CB-CB 4.1Å; H37-I40 HydrophobicContact CB-CD1 4Å; H37-I40 HydrophobicContact CB-CG1 4.2Å; H37-I40 PolarHBondContact O-N 3.39Å; I40-S45 VanDerWaalsContact CA-O 3.31Å; I40-S45 WeakPolarHBondContact CA-O 3.23Å; I40-I46 HydrophobicContact CG1-CG1 4.42Å; I40-I46 HydrophobicContact CG1-CG2 4.47Å; I40-L72 HydrophobicContact CD1-CD2 3.77Å
41N96.1Very high96.1Very high42 Ų4237.1 Ų37.123%0.22521%0.208CC..  trans-87.6177.4-178.573.311000112.7N43 G44 S45 L81 V82N41-N43 PolarHBondContact O-N 2.88Å; N41-N43 WeakPolarHBondContact OD1-CA 3.46Å; N41-N43 WeakPolarHBondContact OD1-CB 3.48Å; N41-N43 PolarHBondContact OD1-N 3.34Å; N41-G44 PolarHBondContact O-N 2.88Å; N41-G44 PolarHBondContact OD1-N 3.19Å; N41-S45 PolarHBondContact N-O 3.44Å; N41-S45 VanDerWaalsContact N-O 3.15Å; N41-S45 WeakPolarHBondContact OD1-CB 3.34Å; N41-S45 PolarHBondContact OD1-N 2.92Å; N41-L81 HydrophobicContact CB-CB 4.2Å; N41-L81 HydrophobicContact CB-CD1 4.39Å; N41-V82 HydrophobicContact CB-CG2 4.17Å
42S94.3Very high95.7Very high114 Ų11443 Ų4380%0.79723%0.23SC*.THydrogen-bonded Turntrans-62.6-21.3-18052.70000114.8G44S42-G44 VanDerWaalsContact C-N 3.28Å
43N95.3Very high95.5Very high131 Ų13143.8 Ų43.870%0.70124%0.239SC*.THydrogen-bonded Turntrans-87.30.7174.9-63.7-19.5000112.3N41 S45N41-N43 PolarHBondContact O-N 2.88Å; N41-N43 WeakPolarHBondContact OD1-CA 3.46Å; N41-N43 WeakPolarHBondContact OD1-CB 3.48Å; N41-N43 PolarHBondContact OD1-N 3.34Å; N43-S45 VanDerWaalsContact C-N 3.29Å; N43-S45 PolarHBondContact O-N 3.38Å
44G96.1Very high95.4Very high5 Ų548.8 Ų48.85%0.05226%0.261CS..  trans80.14.2-179.200000115A30 F31 N41 S42A30-G44 CarbonylContact C-O 3.39Å; A30-G44 VanDerWaalsContact CA-O 3.23Å; A30-G44 WeakPolarHBondContact CA-O 3.33Å; F31-G44 PolarHBondContact N-O 3.22Å; F31-G44 VanDerWaalsContact O-CA 3.31Å; F31-G44 WeakPolarHBondContact O-CA 3.38Å; N41-G44 PolarHBondContact O-N 2.88Å; N41-G44 PolarHBondContact OD1-N 3.19Å; S42-G44 VanDerWaalsContact C-N 3.28Å
45S96.6Very high95.4Very high52 Ų5244.4 Ų44.436%0.36424%0.242SC..BIsolated β-bridgetrans-64.2138.7175.7-59.10000110.1I40 N41 N43 L81I40-S45 VanDerWaalsContact CA-O 3.31Å; I40-S45 WeakPolarHBondContact CA-O 3.23Å; N41-S45 PolarHBondContact N-O 3.44Å; N41-S45 VanDerWaalsContact N-O 3.15Å; N41-S45 WeakPolarHBondContact OD1-CB 3.34Å; N41-S45 PolarHBondContact OD1-N 2.92Å; N43-S45 VanDerWaalsContact C-N 3.29Å; N43-S45 PolarHBondContact O-N 3.38Å; S45-L81 WeakPolarHBondContact O-CD1 3.14Å
46I96.9Very high95.3Very high12 Ų1246.3 Ų46.36%0.06226%0.256CS..BIsolated β-bridgetrans-107.9132.8-178.6-49.9170.9000108.7L14 I29 F31 I40 L48 L51 I68 L71L14-I46 HydrophobicContact CD2-CD1 4.31Å; I29-I46 HydrophobicContact CB-CD1 4.45Å; I29-I46 HydrophobicContact CG2-CD1 4Å; F31-I46 HydrophobicContact CD2-CD1 3.7Å; F31-I46 HydrophobicContact CD2-CG1 3.8Å; F31-I46 HydrophobicContact CE2-CD1 3.61Å; F31-I46 HydrophobicContact CE2-CG1 3.97Å; I40-I46 HydrophobicContact CG1-CG1 4.42Å; I40-I46 HydrophobicContact CG1-CG2 4.47Å; I46-L48 HydrophobicContact CG2-CB 3.96Å; I46-L51 HydrophobicContact CB-CD1 4.5Å; I46-I68 HydrophobicContact CD1-CD1 3.79Å; I46-I68 HydrophobicContact CD1-CG1 4.26Å; I46-L71 HydrophobicContact CG2-CD2 3.99Å
47C94.1Very high95.3Very high6 Ų648.4 Ų48.44%0.04127%0.272CS..  trans-91.3102.5162.6-153.40000109N39 R52 D79 L81N39-C47 HydrophobicContact CB-CB 4.37Å; N39-C47 PolarHBondContact O-N 3.23Å; C47-R52 VanDerWaalsContact SG-CZ 3.5Å; C47-R52 PolarHBondContact SG-NH1 3.32Å; C47-R52 VanDerWaalsContact SG-NH1 3.36Å; C47-D79 PolarHBondContact SG-OD2 3.06Å; C47-L81 HydrophobicContact CB-CD1 4.02Å; C47-L81 HydrophobicContact CB-CD2 3.87Å; C47-L81 HydrophobicContact CB-CG 3.65Å
48L93.2Very high95.2Very high18 Ų1851.7 Ų51.79%0.09430%0.3CS..  trans-142.7124.3175.9-171.566.6000107.2I46 I50 L51 I68 L71I46-L48 HydrophobicContact CG2-CB 3.96Å; L48-I50 VanDerWaalsContact C-N 3.31Å; L48-I50 HydrophobicContact CD2-CD1 3.92Å; L48-I50 HydrophobicContact CD2-CG1 3.59Å; L48-I50 HydrophobicContact CG-CD1 4.46Å; L48-I50 HydrophobicContact CG-CG1 3.67Å; L48-I50 PolarHBondContact O-N 3.19Å; L48-L51 HydrophobicContact CB-CD1 4.19Å; L48-L51 HydrophobicContact CB-CG 4.4Å; L48-L51 HydrophobicContact CD2-CD1 4.29Å; L48-L51 HydrophobicContact CD2-CG 4.34Å; L48-L51 WeakPolarHBondContact O-CB 3.31Å; L48-L51 PolarHBondContact O-N 3Å; L48-I68 HydrophobicContact CD2-CG1 3.99Å; L48-L71 HydrophobicContact CD1-CD2 4.38Å
49D92.1Very high95.1Very high86 Ų8653.3 Ų53.346%0.4631%0.308SS..G310 helixtrans-59.3-38.9-174.361.7-22.8000112.9L51 R52 S53 Q54D49-L51 PolarHBondContact O-N 3.29Å; D49-R52 CarbonylContact O-C 3.2Å; D49-R52 WeakPolarHBondContact O-CA 3.15Å; D49-R52 PolarHBondContact O-N 2.88Å; D49-S53 PolarHBondContact O-N 3.24Å; D49-Q54 HydrophobicContact CB-CB 4.29Å; D49-Q54 HydrophobicContact CB-CG 3.98Å; D49-Q54 PolarHBondContact O-N 2.95Å
50I93.6Very high95Very high22 Ų2256.2 Ų56.211%0.11333%0.326CS..G310 helixtrans-67.5-14.917764161.2000113.2L48 R52 Q54 W55 L59 V64 S67L48-I50 VanDerWaalsContact C-N 3.31Å; L48-I50 HydrophobicContact CD2-CD1 3.92Å; L48-I50 HydrophobicContact CD2-CG1 3.59Å; L48-I50 HydrophobicContact CG-CD1 4.46Å; L48-I50 HydrophobicContact CG-CG1 3.67Å; L48-I50 PolarHBondContact O-N 3.19Å; I50-R52 VanDerWaalsContact C-N 3.33Å; I50-Q54 HydrophobicContact CG2-CB 4.24Å; I50-W55 WeakPolarHBondContact O-CA 3.34Å; I50-W55 WeakPolarHBondContact O-CB 3.43Å; I50-W55 VanDerWaalsContact O-CE3 3.32Å; I50-L59 HydrophobicContact CB-CD1 3.86Å; I50-L59 HydrophobicContact CG2-CD1 4.21Å; I50-V64 HydrophobicContact CD1-CB 4.36Å; I50-V64 HydrophobicContact CD1-CG1 4.44Å; I50-V64 HydrophobicContact CD1-CG2 4.05Å; I50-S67 WeakPolarHBondContact CD1-OG 3.47Å
51L93Very high94.9Very high23 Ų2357.6 Ų57.612%0.1234%0.335CS..G310 helixtrans-912.9170.5-69.3176.4000112.5P26 I29 I46 L48 D49 V64P26-L51 WeakPolarHBondContact CG-O 3.5Å; I29-L51 HydrophobicContact CB-CD1 4.35Å; I29-L51 HydrophobicContact CD1-CD2 4.3Å; I29-L51 HydrophobicContact CG1-CD2 4.38Å; I46-L51 HydrophobicContact CB-CD1 4.5Å; L48-L51 HydrophobicContact CB-CD1 4.19Å; L48-L51 HydrophobicContact CB-CG 4.4Å; L48-L51 HydrophobicContact CD2-CD1 4.29Å; L48-L51 HydrophobicContact CD2-CG 4.34Å; L48-L51 WeakPolarHBondContact O-CB 3.31Å; L48-L51 PolarHBondContact O-N 3Å; D49-L51 PolarHBondContact O-N 3.29Å; L51-V64 HydrophobicContact CD1-CG1 4.47Å; L51-V64 HydrophobicContact CD2-CG1 3.75Å; L51-V64 HydrophobicContact CG-CG1 4.22Å
52R89.8Confident94.9Very high134 Ų13459.6 Ų59.651%0.50635%0.352SS..THydrogen-bonded Turntrans-134.1-106-175-61.2-177.1-176.2-177.35.2111.1C47 D49 I50C47-R52 VanDerWaalsContact SG-CZ 3.5Å; C47-R52 PolarHBondContact SG-NH1 3.32Å; C47-R52 VanDerWaalsContact SG-NH1 3.36Å; D49-R52 CarbonylContact O-C 3.2Å; D49-R52 WeakPolarHBondContact O-CA 3.15Å; D49-R52 PolarHBondContact O-N 2.88Å; I50-R52 VanDerWaalsContact C-N 3.33Å
53S92.3Very high95Very high101 Ų10159 Ų5971%0.70634%0.335SS*.THydrogen-bonded Turntrans-77.7-24.2-172.449.30000113.6D49D49-S53 PolarHBondContact O-N 3.24Å
54Q95.3Very high95Very high118 Ų11852.8 Ų52.855%0.55130%0.301SS*.THydrogen-bonded Turntrans-99.913.5-179.1-60.5-65.1-1200112.7D49 I50 S56D49-Q54 HydrophobicContact CB-CB 4.29Å; D49-Q54 HydrophobicContact CB-CG 3.98Å; D49-Q54 PolarHBondContact O-N 2.95Å; I50-Q54 HydrophobicContact CG2-CB 4.24Å; Q54-S56 PolarHBondContact O-N 3.35Å
55W96.9Very high95Very high30 Ų3055.8 Ų55.811%0.11432%0.316CS..  trans-64.7134.1174.1176.1-103.4000110.5Y22 P23 P26 P27 I50 L59 V64Y22-W55 HydrophobicContact CD2-CZ2 4.17Å; Y22-W55 AromaticContact CE2-CH2 3.74Å; Y22-W55 HydrophobicContact CE2-CH2 3.74Å; Y22-W55 AromaticContact CE2-CZ2 3.63Å; Y22-W55 HydrophobicContact CE2-CZ2 3.63Å; P23-W55 HydrophobicContact CB-CZ2 4.41Å; P23-W55 PolarHBondContact O-NE1 3.27Å; P26-W55 HydrophobicContact CB-CB 4.02Å; P26-W55 HydrophobicContact CB-CD2 3.52Å; P26-W55 HydrophobicContact CB-CE3 3.74Å; P26-W55 HydrophobicContact CB-CG 3.63Å; P26-W55 HydrophobicContact CB-CZ3 4.46Å; P26-W55 HydrophobicContact CG-CB 4.14Å; P26-W55 HydrophobicContact CG-CD2 4.44Å; P26-W55 HydrophobicContact CG-CG 4.04Å; P27-W55 HydrophobicContact CG-CH2 4.48Å; I50-W55 WeakPolarHBondContact O-CA 3.34Å; I50-W55 WeakPolarHBondContact O-CB 3.43Å; I50-W55 VanDerWaalsContact O-CE3 3.32Å; W55-L59 HydrophobicContact CE3-CB 4.06Å; W55-L59 HydrophobicContact CE3-CD1 3.83Å; W55-L59 HydrophobicContact CH2-CB 3.99Å; W55-L59 HydrophobicContact CZ3-CB 3.62Å; W55-L59 HydrophobicContact CZ3-CD1 4.18Å; W55-V64 HydrophobicContact CZ3-CG2 3.94Å
56S97Very high95Very high52 Ų5259.2 Ų59.236%0.36433%0.329SS..  trans-130.6140.1173170.60000109.1Q54 A58 L59Q54-S56 PolarHBondContact O-N 3.35Å; S56-A58 PolarHBondContact O-N 3.43Å; S56-A58 PolarHBondContact OG-N 3.16Å; S56-L59 VanDerWaalsContact O-CB 3.31Å; S56-L59 WeakPolarHBondContact O-CB 3.38Å; S56-L59 PolarHBondContact O-N 3.42Å
57P96.3Very high94.9Very high67 Ų6760.7 Ų60.744%0.43534%0.341SS..THydrogen-bonded Turntrans-56-16.3173.9-26.234.7000114.9P23 F24 L59P23-P57 HydrophobicContact CB-CB 4.2Å; P23-P57 HydrophobicContact CG-CB 4.11Å; P23-P57 WeakPolarHBondContact O-CA 3.41Å; F24-P57 HydrophobicContact CD1-CG 4.2Å; P57-L59 VanDerWaalsContact C-N 3.31Å
58A96.5Very high95Very high70 Ų7060.6 Ų60.658%0.57934%0.34SS*.THydrogen-bonded Turntrans-81.2-6.5174.800000114S56 K63S56-A58 PolarHBondContact O-N 3.43Å; S56-A58 PolarHBondContact OG-N 3.16Å; A58-K63 PolarHBondContact O-NZ 3.07Å
59L96.7Very high95Very high34 Ų3462.4 Ų62.418%0.17835%0.354CS..  trans-80.1140.3172.8-67.5175.6000110.3I50 W55 S56 P57 K63I50-L59 HydrophobicContact CB-CD1 3.86Å; I50-L59 HydrophobicContact CG2-CD1 4.21Å; W55-L59 HydrophobicContact CE3-CB 4.06Å; W55-L59 HydrophobicContact CE3-CD1 3.83Å; W55-L59 HydrophobicContact CH2-CB 3.99Å; W55-L59 HydrophobicContact CZ3-CB 3.62Å; W55-L59 HydrophobicContact CZ3-CD1 4.18Å; S56-L59 VanDerWaalsContact O-CB 3.31Å; S56-L59 WeakPolarHBondContact O-CB 3.38Å; S56-L59 PolarHBondContact O-N 3.42Å; P57-L59 VanDerWaalsContact C-N 3.31Å; L59-K63 HydrophobicContact CD2-CB 4.44Å; L59-K63 HydrophobicContact CD2-CD 4.07Å
60T95.8Very high95.1Very high62 Ų6262 Ų6238%0.3836%0.357SS..  trans-110.7157.617665.50000109.5S62 K63 V64T60-S62 PolarHBondContact O-N 3.07Å; T60-K63 WeakPolarHBondContact O-CB 3.47Å; T60-K63 PolarHBondContact O-N 2.85Å; T60-K63 PolarHBondContact OG1-N 3.12Å; T60-V64 WeakPolarHBondContact O-CG2 3.42Å; T60-V64 PolarHBondContact O-N 3.23Å
61V95.4Very high95.1Very high31 Ų3161.6 Ų61.619%0.18836%0.356CS..Hα-helixtrans-55.5-36.8174.2178.10000111.3F18 K63 V64 L65F18-V61 HydrophobicContact CE1-CG2 3.62Å; F18-V61 HydrophobicContact CZ-CG2 3.73Å; V61-K63 PolarHBondContact O-N 2.88Å; V61-V64 PolarHBondContact O-N 2.78Å; V61-L65 HydrophobicContact CG1-CD1 4.04Å; V61-L65 HydrophobicContact CG1-CG 4.2Å; V61-L65 WeakPolarHBondContact O-CG 3.45Å; V61-L65 PolarHBondContact O-N 3.21Å
62S95.8Very high95.2Very high83 Ų8360.9 Ų60.958%0.5835%0.352SS*.Hα-helixtrans-59.6-44.5174.3-49.60000112.5T60 V64 L65 L66T60-S62 PolarHBondContact O-N 3.07Å; S62-V64 VanDerWaalsContact C-N 3.33Å; S62-L65 PolarHBondContact O-N 3.06Å; S62-L66 VanDerWaalsContact O-CG 3.3Å; S62-L66 WeakPolarHBondContact O-CG 3.34Å; S62-L66 PolarHBondContact O-N 3.15Å
63K95.8Very high95.2Very high102 Ų10257.2 Ų57.244%0.44335%0.346SS..Hα-helixtrans-63.2-41174.8-72.1176.5-178.4177.20111.4A58 L59 T60 V61 L66 S67A58-K63 PolarHBondContact O-NZ 3.07Å; L59-K63 HydrophobicContact CD2-CB 4.44Å; L59-K63 HydrophobicContact CD2-CD 4.07Å; T60-K63 WeakPolarHBondContact O-CB 3.47Å; T60-K63 PolarHBondContact O-N 2.85Å; T60-K63 PolarHBondContact OG1-N 3.12Å; V61-K63 PolarHBondContact O-N 2.88Å; K63-L66 WeakPolarHBondContact O-CB 3.43Å; K63-L66 PolarHBondContact O-N 3.15Å; K63-S67 PolarHBondContact O-N 2.88Å; K63-S67 PolarHBondContact O-OG 3.02Å
64V96.5Very high95.1Very high0 Ų057.7 Ų57.70%034%0.34CS..Hα-helixtrans-62.7-45.2177178.30000111.5I29 I50 L51 W55 T60 V61 S62 L66 S67 I68I29-V64 HydrophobicContact CD1-CB 4.4Å; I29-V64 HydrophobicContact CD1-CG1 3.53Å; I50-V64 HydrophobicContact CD1-CB 4.36Å; I50-V64 HydrophobicContact CD1-CG1 4.44Å; I50-V64 HydrophobicContact CD1-CG2 4.05Å; L51-V64 HydrophobicContact CD1-CG1 4.47Å; L51-V64 HydrophobicContact CD2-CG1 3.75Å; L51-V64 HydrophobicContact CG-CG1 4.22Å; W55-V64 HydrophobicContact CZ3-CG2 3.94Å; T60-V64 WeakPolarHBondContact O-CG2 3.42Å; T60-V64 PolarHBondContact O-N 3.23Å; V61-V64 PolarHBondContact O-N 2.78Å; S62-V64 VanDerWaalsContact C-N 3.33Å; V64-L66 VanDerWaalsContact C-N 3.32Å; V64-L66 PolarHBondContact O-N 3.29Å; V64-S67 WeakPolarHBondContact O-CB 3.48Å; V64-S67 PolarHBondContact O-N 2.79Å; V64-I68 HydrophobicContact CG1-CD1 4.13Å; V64-I68 WeakPolarHBondContact O-CG1 3.44Å; V64-I68 PolarHBondContact O-N 3.36Å
65L96.1Very high95.1Very high69 Ų6952.3 Ų52.336%0.36132%0.316SS..Hα-helixtrans-63.8-37.4176.8-69.8173.1000111.9V61 S62 I68 C69V61-L65 HydrophobicContact CG1-CD1 4.04Å; V61-L65 HydrophobicContact CG1-CG 4.2Å; V61-L65 WeakPolarHBondContact O-CG 3.45Å; V61-L65 PolarHBondContact O-N 3.21Å; S62-L65 PolarHBondContact O-N 3.06Å; L65-I68 HydrophobicContact CD2-CD1 4.41Å; L65-I68 PolarHBondContact O-N 3.24Å; L65-C69 PolarHBondContact O-N 2.98Å; L65-C69 PolarHBondContact O-SG 3.15Å; L65-C69 VanDerWaalsContact O-SG 3.41Å
66L95.1Very high94.9Very high123 Ų12354.1 Ų54.164%0.64433%0.328SS*.Hα-helixtrans-62.7-43.1172.6-72.6170.3000111.7S62 K63 V64 I68 C69 S70S62-L66 VanDerWaalsContact O-CG 3.3Å; S62-L66 WeakPolarHBondContact O-CG 3.34Å; S62-L66 PolarHBondContact O-N 3.15Å; K63-L66 WeakPolarHBondContact O-CB 3.43Å; K63-L66 PolarHBondContact O-N 3.15Å; V64-L66 VanDerWaalsContact C-N 3.32Å; V64-L66 PolarHBondContact O-N 3.29Å; L66-I68 VanDerWaalsContact C-N 3.34Å; L66-I68 PolarHBondContact O-N 3.25Å; L66-C69 WeakPolarHBondContact O-CB 3.41Å; L66-C69 PolarHBondContact O-N 2.82Å; L66-S70 PolarHBondContact O-N 2.85Å
67S95.8Very high94.8Very high44 Ų4452.8 Ų52.831%0.30832%0.318SS..Hα-helixtrans-63.3-38.2174.3-63.60000112.4I50 K63 V64 S70 L71I50-S67 WeakPolarHBondContact CD1-OG 3.47Å; K63-S67 PolarHBondContact O-N 2.88Å; K63-S67 PolarHBondContact O-OG 3.02Å; V64-S67 WeakPolarHBondContact O-CB 3.48Å; V64-S67 PolarHBondContact O-N 2.79Å; S67-S70 WeakPolarHBondContact O-CB 3.38Å; S67-S70 PolarHBondContact O-N 3.35Å; S67-L71 WeakPolarHBondContact O-CB 3.49Å; S67-L71 PolarHBondContact O-N 2.89Å
68I95.7Very high94.6Very high4 Ų455.8 Ų55.82%0.02133%0.33CS..Hα-helixtrans-63.4-44.8173.1-67.5166.2000110.6L14 I29 F31 I46 L48 V64 L65 L66 S70 L71 L72L14-I68 HydrophobicContact CD2-CD1 4.22Å; I29-I68 HydrophobicContact CD1-CD1 4.46Å; I29-I68 HydrophobicContact CG2-CD1 4.09Å; F31-I68 HydrophobicContact CE2-CG2 3.92Å; F31-I68 HydrophobicContact CZ-CG2 3.78Å; I46-I68 HydrophobicContact CD1-CD1 3.79Å; I46-I68 HydrophobicContact CD1-CG1 4.26Å; L48-I68 HydrophobicContact CD2-CG1 3.99Å; V64-I68 HydrophobicContact CG1-CD1 4.13Å; V64-I68 WeakPolarHBondContact O-CG1 3.44Å; V64-I68 PolarHBondContact O-N 3.36Å; L65-I68 HydrophobicContact CD2-CD1 4.41Å; L65-I68 PolarHBondContact O-N 3.24Å; L66-I68 VanDerWaalsContact C-N 3.34Å; L66-I68 PolarHBondContact O-N 3.25Å; I68-S70 VanDerWaalsContact C-N 3.28Å; I68-S70 PolarHBondContact O-N 3.35Å; I68-L71 WeakPolarHBondContact O-CB 3.4Å; I68-L71 PolarHBondContact O-N 3.14Å; I68-L71 VanDerWaalsContact O-N 3.16Å; I68-L72 WeakPolarHBondContact O-CG 3.43Å; I68-L72 PolarHBondContact O-N 2.95Å
69C93.8Very high94.4Very high56 Ų5656.3 Ų56.338%0.37832%0.323SS..Hα-helixtrans-59.1-39.7174.4-75.20000112.4L65 L66 L72 C73L65-C69 PolarHBondContact O-N 2.98Å; L65-C69 PolarHBondContact O-SG 3.15Å; L65-C69 VanDerWaalsContact O-SG 3.41Å; L66-C69 WeakPolarHBondContact O-CB 3.41Å; L66-C69 PolarHBondContact O-N 2.82Å; C69-L72 PolarHBondContact O-N 2.83Å; C69-C73 PolarHBondContact O-N 2.98Å; C69-C73 PolarHBondContact O-SG 3.35Å
70S93.3Very high94.3Very high76 Ų7656.5 Ų56.553%0.53133%0.327SS..Hα-helixtrans-63.5-44.8174.4-166.80000111.1L66 S67 I68 L72 C73 D74L66-S70 PolarHBondContact O-N 2.85Å; S67-S70 WeakPolarHBondContact O-CB 3.38Å; S67-S70 PolarHBondContact O-N 3.35Å; I68-S70 VanDerWaalsContact C-N 3.28Å; I68-S70 PolarHBondContact O-N 3.35Å; S70-L72 VanDerWaalsContact C-N 3.3Å; S70-L72 PolarHBondContact O-N 3.48Å; S70-C73 WeakPolarHBondContact O-CB 3.45Å; S70-C73 PolarHBondContact O-N 2.82Å; S70-D74 PolarHBondContact O-N 2.96Å
71L94.4Very high94.3Very high15 Ų1556.1 Ų56.18%0.07932%0.322CS..Hα-helixtrans-60.2-39.4177.7-17269.1000112H37 N39 I46 L48 S67 I68 C73 D74 P75 N76H37-L71 PolarHBondContact NE2-O 3.14Å; N39-L71 HydrophobicContact CB-CD1 4.34Å; N39-L71 HydrophobicContact CB-CD2 3.94Å; N39-L71 HydrophobicContact CB-CG 4.42Å; I46-L71 HydrophobicContact CG2-CD2 3.99Å; L48-L71 HydrophobicContact CD1-CD2 4.38Å; S67-L71 WeakPolarHBondContact O-CB 3.49Å; S67-L71 PolarHBondContact O-N 2.89Å; I68-L71 WeakPolarHBondContact O-CB 3.4Å; I68-L71 PolarHBondContact O-N 3.14Å; I68-L71 VanDerWaalsContact O-N 3.16Å; L71-C73 PolarHBondContact O-N 3.36Å; L71-D74 CarbonylContact O-C 3.58Å; L71-D74 PolarHBondContact O-N 3.24Å; L71-P75 WeakPolarHBondContact O-CA 3.43Å; L71-P75 VanDerWaalsContact O-N 3.13Å; L71-N76 HydrophobicContact CD1-CB 4.45Å
72L94.1Very high94.4Very high8 Ų856.2 Ų56.24%0.04232%0.322CS..Hα-helixtrans-66.4-26.8174.9-66.1-179.6000112.9M1 Y7 F31 I35 I40 I68 C69 S70M1-L72 HydrophobicContact CE-CB 4.02Å; M1-L72 HydrophobicContact CE-CD1 3.21Å; M1-L72 HydrophobicContact CE-CG 4.25Å; Y7-L72 HydrophobicContact CD2-CB 4Å; Y7-L72 HydrophobicContact CD2-CD2 4.45Å; Y7-L72 WeakPolarHBondContact CD2-O 3.44Å; Y7-L72 HydrophobicContact CE2-CB 4.23Å; Y7-L72 HydrophobicContact CE2-CD2 4.25Å; Y7-L72 WeakPolarHBondContact CE2-O 3.38Å; F31-L72 HydrophobicContact CZ-CD1 4.22Å; F31-L72 HydrophobicContact CZ-CD2 4.48Å; I35-L72 HydrophobicContact CD1-CD1 4.48Å; I35-L72 HydrophobicContact CD1-CD2 3.48Å; I35-L72 VanDerWaalsContact CD1-CD2 3.48Å; I40-L72 HydrophobicContact CD1-CD2 3.77Å; I68-L72 WeakPolarHBondContact O-CG 3.43Å; I68-L72 PolarHBondContact O-N 2.95Å; C69-L72 PolarHBondContact O-N 2.83Å; S70-L72 VanDerWaalsContact C-N 3.3Å; S70-L72 PolarHBondContact O-N 3.48Å
73C90.2Very high94.5Very high56 Ų5656.1 Ų56.138%0.37832%0.32SS..Hα-helixtrans-83.4-38.4175.7-61.20000111.6C69 S70 L71C69-C73 PolarHBondContact O-N 2.98Å; C69-C73 PolarHBondContact O-SG 3.35Å; S70-C73 WeakPolarHBondContact O-CB 3.45Å; S70-C73 PolarHBondContact O-N 2.82Å; L71-C73 PolarHBondContact O-N 3.36Å
74D91.7Very high94.5Very high111 Ų11156.8 Ų56.859%0.59433%0.329SS*.SBendtrans-132.587.9-179.4-166.125.7000110.6S70 L71S70-D74 PolarHBondContact O-N 2.96Å; L71-D74 CarbonylContact O-C 3.58Å; L71-D74 PolarHBondContact O-N 3.24Å
75P94Very high94.6Very high5 Ų557.6 Ų57.63%0.03233%0.332CS..  trans-64.1149.4178.7-17.928.7000111.7P38 L71 P77 Y89 Y96P38-P75 HydrophobicContact CG-CB 3.36Å; P38-P75 HydrophobicContact CG-CG 4.27Å; L71-P75 WeakPolarHBondContact O-CA 3.43Å; L71-P75 VanDerWaalsContact O-N 3.13Å; P75-P77 WeakPolarHBondContact O-CD 3.13Å; P75-Y89 HydrophobicContact CG-CD2 4.48Å; P75-Y89 HydrophobicContact CG-CE2 4.05Å; P75-Y96 WeakPolarHBondContact CG-OH 3.49Å
76N93.7Very high94.7Very high69 Ų6954.5 Ų54.537%0.36932%0.317SS..  trans-97.599.4176.3-179.9-2.1000110.8N39 L71 D78N39-N76 PolarHBondContact ND2-O 2.78Å; N39-N76 PolarHBondContact OD1-N 3.3Å; N39-N76 PolarHBondContact OD1-O 3.04Å; L71-N76 HydrophobicContact CD1-CB 4.45Å; N76-D78 VanDerWaalsContact C-N 3.26Å; N76-D78 PolarHBondContact O-N 3.41Å; N76-D78 PolarHBondContact OD1-N 2.9Å
77P93.5Very high94.8Very high24 Ų2455 Ų5516%0.15632%0.316CS..THydrogen-bonded Turntrans-80.4-1.3-177.736.6-40.6000114.4P75 A86 Y89 K90P75-P77 WeakPolarHBondContact O-CD 3.13Å; P77-A86 HydrophobicContact CB-CB 4.28Å; P77-Y89 HydrophobicContact CB-CD1 3.98Å; P77-Y89 HydrophobicContact CG-CD1 4.09Å; P77-Y89 HydrophobicContact CG-CE1 4.21Å; P77-K90 HydrophobicContact CB-CD 3.86Å; P77-K90 VanDerWaalsContact CB-CE 3.47Å; P77-K90 HydrophobicContact CB-CG 3.82Å; P77-K90 HydrophobicContact CG-CD 4.29Å; P77-K90 HydrophobicContact CG-CG 4.09Å; P77-K90 PolarHBondContact O-NZ 3.31Å
78D92.5Very high94.9Very high129 Ų12954.5 Ų54.569%0.6931%0.31SS*.THydrogen-bonded Turntrans-91.3-18.8178.1-61.8-35.3000112.7N76 P80 K90N76-D78 VanDerWaalsContact C-N 3.26Å; N76-D78 PolarHBondContact O-N 3.41Å; N76-D78 PolarHBondContact OD1-N 2.9Å; D78-P80 VanDerWaalsContact C-CD 3.44Å; D78-K90 IonicContact OD1-NZ 2.72Å; D78-K90 PolarHBondContact OD1-NZ 3.49Å
79D92.1Very high94.9Very high81 Ų8155.6 Ų55.643%0.43331%0.314SS..SBendtrans-128.163.1171.4-173.829.5000112.2N39 C47N39-D79 PolarHBondContact ND2-O 3.07Å; C47-D79 PolarHBondContact SG-OD2 3.06Å
80P95.2Very high95Very high39 Ų3958.7 Ų58.725%0.25332%0.321SS..  trans-82.9144.7-175.735-35.8000112.7P38 D78 A86P38-P80 HydrophobicContact CB-CB 4.4Å; P38-P80 CarbonylContact O-C 3.54Å; D78-P80 VanDerWaalsContact C-CD 3.44Å; P80-A86 HydrophobicContact CB-CB 3.47Å; P80-A86 VanDerWaalsContact CB-CB 3.47Å; P80-A86 HydrophobicContact CG-CB 3.83Å
81L96.1Very high95.2Very high53 Ų5359.5 Ų59.528%0.27733%0.326SS..SBendtrans-83.1-23.2162.6-66.1-177.3000112.5P38 N39 N41 S45 C47P38-L81 PolarHBondContact O-N 3.45Å; N39-L81 WeakPolarHBondContact O-CD1 3.48Å; N41-L81 HydrophobicContact CB-CB 4.2Å; N41-L81 HydrophobicContact CB-CD1 4.39Å; S45-L81 WeakPolarHBondContact O-CD1 3.14Å; C47-L81 HydrophobicContact CB-CD1 4.02Å; C47-L81 HydrophobicContact CB-CD2 3.87Å; C47-L81 HydrophobicContact CB-CG 3.65Å
82V97.4Very high95.3Very high33 Ų3361.9 Ų61.920%0.234%0.339CS..SBendtrans-124.988.9-179.9-165.40000108.4P38 N41 D84 I85 A86P38-V82 PolarHBondContact O-N 3.3Å; N41-V82 HydrophobicContact CB-CG2 4.17Å; V82-D84 VanDerWaalsContact C-N 3.26Å; V82-D84 PolarHBondContact O-N 2.91Å; V82-I85 HydrophobicContact CB-CB 4.23Å; V82-I85 HydrophobicContact CB-CD1 3.99Å; V82-I85 HydrophobicContact CB-CG1 4.1Å; V82-I85 HydrophobicContact CG1-CB 4.17Å; V82-I85 HydrophobicContact CG1-CD1 3.68Å; V82-I85 HydrophobicContact CG1-CG1 3.6Å; V82-I85 HydrophobicContact CG2-CD1 4.39Å; V82-I85 PolarHBondContact O-N 2.9Å; V82-I85 VanDerWaalsContact O-N 3.16Å; V82-A86 PolarHBondContact O-N 2.84Å; V82-A86 VanDerWaalsContact O-N 3.14Å
83P97.1Very high95.3Very high82 Ų8266.8 Ų66.853%0.53236%0.36SS..Hα-helixtrans-55.8-38.1-175.1-28.136000113.6I85 A86 Q87P83-I85 PolarHBondContact O-N 3.28Å; P83-A86 WeakPolarHBondContact O-CB 3.5Å; P83-A86 PolarHBondContact O-N 3.21Å; P83-A86 VanDerWaalsContact O-N 3.15Å; P83-Q87 PolarHBondContact O-N 3.16Å
84D97.3Very high95.6Very high116 Ų11671.9 Ų71.962%0.6238%0.378SS*.Hα-helixtrans-61.4-43.4179.6-60.5-17.6000112V82 A86 Q87 I88V82-D84 VanDerWaalsContact C-N 3.26Å; V82-D84 PolarHBondContact O-N 2.91Å; D84-A86 VanDerWaalsContact C-N 3.33Å; D84-Q87 PolarHBondContact O-N 3.19Å; D84-I88 WeakPolarHBondContact O-CG1 3.3Å; D84-I88 PolarHBondContact O-N 3.37Å
85I97.8Very high95.8Very high16 Ų1670.4 Ų70.48%0.08237%0.367CS..Hα-helixtrans-66.9-39.3177-60.6-179000109.9Y36 P38 V82 P83 I88 Y89 Y96Y36-I85 HydrophobicContact CD1-CD1 4.49Å; Y36-I85 HydrophobicContact CD1-CG2 4.18Å; Y36-I85 HydrophobicContact CD2-CD1 3.7Å; Y36-I85 HydrophobicContact CD2-CG1 4.27Å; Y36-I85 HydrophobicContact CE1-CD1 4.44Å; Y36-I85 HydrophobicContact CE1-CG1 4.29Å; Y36-I85 HydrophobicContact CE1-CG2 3.72Å; Y36-I85 HydrophobicContact CE2-CD1 3.64Å; Y36-I85 HydrophobicContact CE2-CG1 3.68Å; Y36-I85 HydrophobicContact CG-CD1 4.14Å; P38-I85 HydrophobicContact CB-CB 4.37Å; P38-I85 HydrophobicContact CB-CG2 4.06Å; P38-I85 HydrophobicContact CG-CG2 4.47Å; V82-I85 HydrophobicContact CB-CB 4.23Å; V82-I85 HydrophobicContact CB-CD1 3.99Å; V82-I85 HydrophobicContact CB-CG1 4.1Å; V82-I85 HydrophobicContact CG1-CB 4.17Å; V82-I85 HydrophobicContact CG1-CD1 3.68Å; V82-I85 HydrophobicContact CG1-CG1 3.6Å; V82-I85 HydrophobicContact CG2-CD1 4.39Å; V82-I85 PolarHBondContact O-N 2.9Å; V82-I85 VanDerWaalsContact O-N 3.16Å; P83-I85 PolarHBondContact O-N 3.28Å; I85-I88 PolarHBondContact O-N 3.45Å; I85-Y89 WeakPolarHBondContact O-CB 3.49Å; I85-Y89 PolarHBondContact O-N 3.26Å; I85-Y96 HydrophobicContact CG2-CD2 4.1Å; I85-Y96 HydrophobicContact CG2-CE2 4.03Å
86A97.4Very high96Very high4 Ų470.5 Ų70.53%0.03337%0.366CS..Hα-helixtrans-66-38.6178.300000112.4P38 P77 P80 V82 P83 D84 Y89 K90P38-A86 HydrophobicContact CB-CB 3.82Å; P77-A86 HydrophobicContact CB-CB 4.28Å; P80-A86 HydrophobicContact CB-CB 3.47Å; P80-A86 VanDerWaalsContact CB-CB 3.47Å; P80-A86 HydrophobicContact CG-CB 3.83Å; V82-A86 PolarHBondContact O-N 2.84Å; V82-A86 VanDerWaalsContact O-N 3.14Å; P83-A86 WeakPolarHBondContact O-CB 3.5Å; P83-A86 PolarHBondContact O-N 3.21Å; P83-A86 VanDerWaalsContact O-N 3.15Å; D84-A86 VanDerWaalsContact C-N 3.33Å; A86-Y89 PolarHBondContact O-N 3.25Å; A86-K90 WeakPolarHBondContact O-CB 3.35Å; A86-K90 WeakPolarHBondContact O-CG 3.46Å; A86-K90 PolarHBondContact O-N 2.96Å
87Q97.6Very high96.1Very high133 Ų13369 Ų6962%0.62136%0.358SS*.Hα-helixtrans-63.3-45.9174.2-174.2178.7-2.500110.8P83 D84 Y89 K90 S91P83-Q87 PolarHBondContact O-N 3.16Å; D84-Q87 PolarHBondContact O-N 3.19Å; Q87-Y89 VanDerWaalsContact C-N 3.34Å; Q87-Y89 PolarHBondContact O-N 3.4Å; Q87-K90 PolarHBondContact O-N 3.38Å; Q87-S91 WeakPolarHBondContact O-CB 3.45Å; Q87-S91 PolarHBondContact O-N 2.85Å; Q87-S91 PolarHBondContact O-OG 2.81Å
88I97.4Very high96.3Very high35 Ų3574.2 Ų74.218%0.17938%0.375CS..Hα-helixtrans-62-42.6175.5-64.3164.4000110.6Y36 D84 I85 K90 S91 D92 K95Y36-I88 WeakPolarHBondContact OH-CD1 3.34Å; D84-I88 WeakPolarHBondContact O-CG1 3.3Å; D84-I88 PolarHBondContact O-N 3.37Å; I85-I88 PolarHBondContact O-N 3.45Å; I88-K90 VanDerWaalsContact C-N 3.28Å; I88-K90 PolarHBondContact O-N 2.88Å; I88-S91 PolarHBondContact O-N 3Å; I88-D92 CarbonylContact O-C 3.5Å; I88-D92 WeakPolarHBondContact O-CA 3.43Å; I88-D92 PolarHBondContact O-N 3.39Å; I88-D92 VanDerWaalsContact O-O 3.05Å; I88-K95 HydrophobicContact CG2-CB 4.34Å; I88-K95 HydrophobicContact CG2-CD 4.29Å; I88-K95 HydrophobicContact CG2-CG 4.16Å
89Y96.6Very high96.5Very high26 Ų2670.3 Ų70.310%0.10235%0.352CS..Hα-helixtrans-58.8-40176.5-179.5-104.7000112.3P75 P77 I85 A86 Q87 K93 Y96P75-Y89 HydrophobicContact CG-CD2 4.48Å; P75-Y89 HydrophobicContact CG-CE2 4.05Å; P77-Y89 HydrophobicContact CB-CD1 3.98Å; P77-Y89 HydrophobicContact CG-CD1 4.09Å; P77-Y89 HydrophobicContact CG-CE1 4.21Å; I85-Y89 WeakPolarHBondContact O-CB 3.49Å; I85-Y89 PolarHBondContact O-N 3.26Å; A86-Y89 PolarHBondContact O-N 3.25Å; Q87-Y89 VanDerWaalsContact C-N 3.34Å; Q87-Y89 PolarHBondContact O-N 3.4Å; Y89-K93 HydrophobicContact CE2-CD 4.29Å; Y89-K93 HydrophobicContact CE2-CG 4.48Å; Y89-K93 PolarHBondContact OH-NZ 3.04Å; Y89-Y96 AromaticContact CD2-CD1 3.55Å; Y89-Y96 HydrophobicContact CD2-CD1 3.55Å; Y89-Y96 HydrophobicContact CD2-CD2 4.03Å; Y89-Y96 AromaticContact CD2-CE1 3.64Å; Y89-Y96 HydrophobicContact CD2-CE1 3.64Å; Y89-Y96 HydrophobicContact CD2-CE2 4.13Å; Y89-Y96 AromaticContact CD2-CG 3.75Å; Y89-Y96 HydrophobicContact CD2-CG 3.75Å; Y89-Y96 AromaticContact CD2-CZ 3.92Å; Y89-Y96 HydrophobicContact CE2-CD1 4.08Å; Y89-Y96 AromaticContact CE2-CE1 3.89Å; Y89-Y96 HydrophobicContact CE2-CE1 3.89Å
90K96.3Very high96.8Very high122 Ų12266.4 Ų66.453%0.5333%0.332SS..Hα-helixtrans-73.8-38.5178.3-79.2173.8157.41580113.2P77 D78 A86 Q87 I88P77-K90 HydrophobicContact CB-CD 3.86Å; P77-K90 VanDerWaalsContact CB-CE 3.47Å; P77-K90 HydrophobicContact CB-CG 3.82Å; P77-K90 HydrophobicContact CG-CD 4.29Å; P77-K90 HydrophobicContact CG-CG 4.09Å; P77-K90 PolarHBondContact O-NZ 3.31Å; D78-K90 IonicContact OD1-NZ 2.72Å; D78-K90 PolarHBondContact OD1-NZ 3.49Å; A86-K90 WeakPolarHBondContact O-CB 3.35Å; A86-K90 WeakPolarHBondContact O-CG 3.46Å; A86-K90 PolarHBondContact O-N 2.96Å; Q87-K90 PolarHBondContact O-N 3.38Å; I88-K90 VanDerWaalsContact C-N 3.28Å; I88-K90 PolarHBondContact O-N 2.88Å
91S97.2Very high96.8Very high92 Ų9270.3 Ų70.364%0.64334%0.341SS*.Hα-helixtrans-93.8-31.8-172.764.70000114.5Q87 I88Q87-S91 WeakPolarHBondContact O-CB 3.45Å; Q87-S91 PolarHBondContact O-N 2.85Å; Q87-S91 PolarHBondContact O-OG 2.81Å; I88-S91 PolarHBondContact O-N 3Å
92D96.7Very high96.9Very high66 Ų6672.2 Ų72.235%0.35335%0.349SS..  trans-150.983.1-173.5-172.7-16000110.5I88 E94 K95 Y96I88-D92 CarbonylContact O-C 3.5Å; I88-D92 WeakPolarHBondContact O-CA 3.43Å; I88-D92 PolarHBondContact O-N 3.39Å; I88-D92 VanDerWaalsContact O-O 3.05Å; D92-E94 PolarHBondContact O-N 3.43Å; D92-E94 PolarHBondContact OD1-N 2.89Å; D92-K95 HydrophobicContact CB-CB 3.99Å; D92-K95 PolarHBondContact O-N 2.85Å; D92-K95 WeakPolarHBondContact OD1-CB 3.43Å; D92-K95 PolarHBondContact OD1-N 2.76Å; D92-K95 WeakPolarHBondContact OD2-CB 3.39Å; D92-Y96 PolarHBondContact O-N 3.36Å
93K94.1Very high96.9Very high110 Ų11074.7 Ų74.748%0.47835%0.354SS..Hα-helixtrans-64.2-28.9-178.3-168.7157.6-179.3159.30112.5Y89 N97Y89-K93 HydrophobicContact CE2-CD 4.29Å; Y89-K93 HydrophobicContact CE2-CG 4.48Å; Y89-K93 PolarHBondContact OH-NZ 3.04Å; K93-N97 WeakPolarHBondContact O-CB 3.38Å; K93-N97 PolarHBondContact O-N 3.03Å; K93-N97 PolarHBondContact O-ND2 3.02Å
94E95.8Very high96.9Very high163 Ų16370.9 Ų70.976%0.76233%0.33SS*.Hα-helixtrans-68.9-45.9175.7-69-166.6165.300111.6D92 N97 R98D92-E94 PolarHBondContact O-N 3.43Å; D92-E94 PolarHBondContact OD1-N 2.89Å; E94-N97 PolarHBondContact O-N 3.35Å; E94-R98 PolarHBondContact O-N 2.86Å
95K96.9Very high96.9Very high81 Ų8171.4 Ų71.435%0.35233%0.328SS..Hα-helixtrans-62.7-41.8174.9-178.7177.5-178.6-1770111.9I88 D92 R98 H99I88-K95 HydrophobicContact CG2-CB 4.34Å; I88-K95 HydrophobicContact CG2-CD 4.29Å; I88-K95 HydrophobicContact CG2-CG 4.16Å; D92-K95 HydrophobicContact CB-CB 3.99Å; D92-K95 PolarHBondContact O-N 2.85Å; D92-K95 WeakPolarHBondContact OD1-CB 3.43Å; D92-K95 PolarHBondContact OD1-N 2.76Å; D92-K95 WeakPolarHBondContact OD2-CB 3.39Å; K95-R98 PolarHBondContact O-N 3.27Å; K95-H99 WeakPolarHBondContact CE-NE2 3.46Å; K95-H99 PolarHBondContact O-CD2 3.39Å; K95-H99 VanDerWaalsContact O-CD2 3.3Å; K95-H99 PolarHBondContact O-N 3.21Å
96Y97.1Very high96.9Very high6 Ų677.7 Ų77.72%0.02436%0.355CS..Hα-helixtrans-55.8-52.4171.5165-95.7000111.1Y7 Y36 P75 I85 Y89 D92 R98 H99 A100Y7-Y96 PolarHBondContact OH-OH 2.71Å; Y36-Y96 HydrophobicContact CD1-CD2 4.25Å; Y36-Y96 HydrophobicContact CD1-CE2 4.25Å; Y36-Y96 AromaticContact CE1-CD2 3.86Å; Y36-Y96 HydrophobicContact CE1-CD2 3.86Å; Y36-Y96 HydrophobicContact CE1-CE2 4.27Å; P75-Y96 WeakPolarHBondContact CG-OH 3.49Å; I85-Y96 HydrophobicContact CG2-CD2 4.1Å; I85-Y96 HydrophobicContact CG2-CE2 4.03Å; Y89-Y96 AromaticContact CD2-CD1 3.55Å; Y89-Y96 HydrophobicContact CD2-CD1 3.55Å; Y89-Y96 HydrophobicContact CD2-CD2 4.03Å; Y89-Y96 AromaticContact CD2-CE1 3.64Å; Y89-Y96 HydrophobicContact CD2-CE1 3.64Å; Y89-Y96 HydrophobicContact CD2-CE2 4.13Å; Y89-Y96 AromaticContact CD2-CG 3.75Å; Y89-Y96 HydrophobicContact CD2-CG 3.75Å; Y89-Y96 AromaticContact CD2-CZ 3.92Å; Y89-Y96 HydrophobicContact CE2-CD1 4.08Å; Y89-Y96 AromaticContact CE2-CE1 3.89Å; Y89-Y96 HydrophobicContact CE2-CE1 3.89Å; D92-Y96 PolarHBondContact O-N 3.36Å; Y96-R98 VanDerWaalsContact C-N 3.29Å; Y96-R98 PolarHBondContact O-N 3.46Å; Y96-H99 PolarHBondContact O-N 2.98Å; Y96-A100 WeakPolarHBondContact O-CB 3.37Å; Y96-A100 PolarHBondContact O-N 3.19Å
97N96Very high96.9Very high38 Ų3881.1 Ų81.120%0.20337%0.368CS..Hα-helixtrans-61.3-38.4-178.2-76.1-25000111.9K93 E94 R101K93-N97 WeakPolarHBondContact O-CB 3.38Å; K93-N97 PolarHBondContact O-N 3.03Å; K93-N97 PolarHBondContact O-ND2 3.02Å; E94-N97 PolarHBondContact O-N 3.35Å; N97-R101 WeakPolarHBondContact O-CB 3.4Å; N97-R101 VanDerWaalsContact O-CG 3.24Å; N97-R101 WeakPolarHBondContact O-CG 3Å; N97-R101 PolarHBondContact O-N 2.99Å
98R97Very high96.8Very high133 Ų13375.1 Ų75.150%0.50234%0.341SS..Hα-helixtrans-61.2-51.3174.7-178.2175.260.7-156-5.4111.3E94 K95 Y96 A100 R101 E102E94-R98 PolarHBondContact O-N 2.86Å; K95-R98 PolarHBondContact O-N 3.27Å; Y96-R98 VanDerWaalsContact C-N 3.29Å; Y96-R98 PolarHBondContact O-N 3.46Å; R98-A100 PolarHBondContact O-N 2.99Å; R98-R101 PolarHBondContact O-N 3.21Å; R98-E102 WeakPolarHBondContact CG-OE1 3.37Å; R98-E102 WeakPolarHBondContact O-CG 3.07Å; R98-E102 PolarHBondContact O-N 3.18Å
99H97.6Very high96.5Very high47 Ų4780.9 Ų80.922%0.21837%0.369CS..Hα-helixtrans-64-40.2179.5-69.3-37.3000113Y36 K95 Y96 R101 E102 W103Y36-H99 HydrophobicContact CD1-CB 3.98Å; Y36-H99 HydrophobicContact CE1-CB 3.7Å; Y36-H99 HydrophobicContact CE2-CB 4.35Å; Y36-H99 HydrophobicContact CG-CB 4.42Å; K95-H99 WeakPolarHBondContact CE-NE2 3.46Å; K95-H99 PolarHBondContact O-CD2 3.39Å; K95-H99 VanDerWaalsContact O-CD2 3.3Å; K95-H99 PolarHBondContact O-N 3.21Å; Y96-H99 PolarHBondContact O-N 2.98Å; H99-R101 PolarHBondContact O-N 2.95Å; H99-E102 IonicContact CE1-OE2 3.06Å; H99-E102 IonicContact ND1-OE2 2.67Å; H99-E102 PolarHBondContact ND1-OE2 2.67Å; H99-E102 PolarHBondContact O-N 3.11Å; H99-W103 PolarHBondContact O-N 2.89Å
100A97.3Very high96.5Very high0 Ų083.7 Ų83.70%038%0.382CS..Hα-helixtrans-63.2-39.6175.900000112.3A6 Y7 Y36 Y96 R98 W103 T104A6-A100 HydrophobicContact CB-CB 3.52Å; Y7-A100 HydrophobicContact CE1-CB 4.07Å; Y36-A100 HydrophobicContact CD1-CB 4.18Å; Y96-A100 WeakPolarHBondContact O-CB 3.37Å; Y96-A100 PolarHBondContact O-N 3.19Å; R98-A100 PolarHBondContact O-N 2.99Å; A100-W103 PolarHBondContact O-N 3.21Å; A100-T104 WeakPolarHBondContact O-CB 3.31Å; A100-T104 PolarHBondContact O-N 2.98Å; A100-T104 PolarHBondContact O-OG1 2.72Å
101R96.5Very high96.5Very high121 Ų12181.6 Ų81.646%0.45738%0.375SS..Hα-helixtrans-66.6-44.5173.7-72.5176.6-165.6126.9-1.1112.3A6 N97 R98 H99 W103 T104 Q105A6-R101 HydrophobicContact CB-CG 4.07Å; A6-R101 WeakPolarHBondContact O-CA 3.33Å; A6-R101 WeakPolarHBondContact O-CG 3.39Å; N97-R101 WeakPolarHBondContact O-CB 3.4Å; N97-R101 VanDerWaalsContact O-CG 3.24Å; N97-R101 WeakPolarHBondContact O-CG 3Å; N97-R101 PolarHBondContact O-N 2.99Å; R98-R101 PolarHBondContact O-N 3.21Å; H99-R101 PolarHBondContact O-N 2.95Å; R101-W103 VanDerWaalsContact C-N 3.3Å; R101-W103 PolarHBondContact O-N 3.03Å; R101-T104 PolarHBondContact O-N 3.22Å; R101-Q105 WeakPolarHBondContact O-CG 3.42Å; R101-Q105 PolarHBondContact O-N 3.33Å
102E97.6Very high96.5Very high92 Ų9281.1 Ų81.143%0.4336%0.36SS..Hα-helixtrans-57.3-43.7176-73.6166.5176.600111.4R98 H99 K106R98-E102 WeakPolarHBondContact CG-OE1 3.37Å; R98-E102 WeakPolarHBondContact O-CG 3.07Å; R98-E102 PolarHBondContact O-N 3.18Å; H99-E102 IonicContact CE1-OE2 3.06Å; H99-E102 IonicContact ND1-OE2 2.67Å; H99-E102 PolarHBondContact ND1-OE2 2.67Å; H99-E102 PolarHBondContact O-N 3.11Å; E102-K106 VanDerWaalsContact O-CB 3.3Å; E102-K106 WeakPolarHBondContact O-CB 3.44Å; E102-K106 PolarHBondContact O-N 2.87Å
103W97.9Very high96.5Very high85 Ų8581.9 Ų81.932%0.32236%0.36SS..Hα-helixtrans-67.9-40.1176.4-87.759000112.8K34 I35 Y36 H99 A100 R101 K106 Y107K34-W103 HydrophobicContact CB-CE3 4.25Å; K34-W103 HydrophobicContact CB-CZ3 4Å; I35-W103 VanDerWaalsContact C-CE3 3.46Å; Y36-W103 HydrophobicContact CD2-CD2 4.33Å; Y36-W103 AromaticContact CD2-CE2 3.98Å; Y36-W103 HydrophobicContact CD2-CZ2 4.3Å; Y36-W103 HydrophobicContact CG-CD2 4.47Å; Y36-W103 HydrophobicContact CG-CG 4.42Å; H99-W103 PolarHBondContact O-N 2.89Å; A100-W103 PolarHBondContact O-N 3.21Å; R101-W103 VanDerWaalsContact C-N 3.3Å; R101-W103 PolarHBondContact O-N 3.03Å; W103-K106 PolarHBondContact O-N 3.34Å; W103-Y107 HydrophobicContact CB-CD2 4.18Å; W103-Y107 HydrophobicContact CB-CE2 4.47Å; W103-Y107 AromaticContact CD2-CD2 3.92Å; W103-Y107 HydrophobicContact CD2-CD2 3.92Å; W103-Y107 AromaticContact CD2-CE2 3.6Å; W103-Y107 HydrophobicContact CD2-CE2 3.6Å; W103-Y107 AromaticContact CE3-CD2 3.73Å; W103-Y107 HydrophobicContact CE3-CD2 3.73Å; W103-Y107 AromaticContact CE3-CE2 3.67Å; W103-Y107 HydrophobicContact CE3-CE2 3.67Å; W103-Y107 HydrophobicContact CG-CD2 4.14Å; W103-Y107 AromaticContact CG-CE2 3.97Å; W103-Y107 HydrophobicContact CG-CE2 3.97Å; W103-Y107 HydrophobicContact CZ3-CD2 4.49Å; W103-Y107 HydrophobicContact CZ3-CE2 4.22Å; W103-Y107 WeakPolarHBondContact O-CD2 3.43Å; W103-Y107 PolarHBondContact O-N 2.77Å
104T97.2Very high96.6Very high2 Ų280.2 Ų80.21%0.01235%0.353CS..Hα-helixtrans-60.1-47.5176.3-60.20000110.5A6 F12 A100 R101 K106 A108 M109A6-T104 PolarHBondContact O-OG1 3.37Å; F12-T104 HydrophobicContact CZ-CG2 4.08Å; A100-T104 WeakPolarHBondContact O-CB 3.31Å; A100-T104 PolarHBondContact O-N 2.98Å; A100-T104 PolarHBondContact O-OG1 2.72Å; R101-T104 PolarHBondContact O-N 3.22Å; T104-K106 VanDerWaalsContact C-N 3.31Å; T104-K106 PolarHBondContact O-N 2.78Å; T104-A108 HydrophobicContact CG2-CB 4.35Å; T104-A108 CarbonylContact O-C 3.58Å; T104-A108 WeakPolarHBondContact O-CA 3.31Å; T104-A108 WeakPolarHBondContact O-CB 3.3Å; T104-A108 PolarHBondContact O-N 3.44Å; T104-M109 HydrophobicContact CG2-CE 4.08Å; T104-M109 PolarHBondContact O-N 2.96Å
105Q96.9Very high96.7Very high127 Ų12774.7 Ų74.759%0.59333%0.325SS*.Hα-helixtrans-61.3-38.4175.9-71.6177.5100112.8R101 M109R101-Q105 WeakPolarHBondContact O-CG 3.42Å; R101-Q105 PolarHBondContact O-N 3.33Å; Q105-M109 HydrophobicContact CB-CE 4.42Å; Q105-M109 HydrophobicContact CB-SD 4.31Å; Q105-M109 HydrophobicContact CG-CE 3.56Å; Q105-M109 HydrophobicContact CG-SD 3.82Å
106K97.8Very high96.6Very high149 Ų14974.2 Ų74.265%0.64832%0.324SS*.Hα-helixtrans-79-33.7-174.5-174.2173.4178.1-1760114.1E102 W103 T104E102-K106 VanDerWaalsContact O-CB 3.3Å; E102-K106 WeakPolarHBondContact O-CB 3.44Å; E102-K106 PolarHBondContact O-N 2.87Å; W103-K106 PolarHBondContact O-N 3.34Å; T104-K106 VanDerWaalsContact C-N 3.31Å; T104-K106 PolarHBondContact O-N 2.78Å
107Y97.4Very high96.6Very high76 Ų7679.5 Ų79.530%0.29835%0.347SS..Hα-helixtrans-121.8-15.5-167.9-56.9-61.5000114.6T33 K34 W103T33-Y107 VanDerWaalsContact CG2-O 3.27Å; T33-Y107 WeakPolarHBondContact CG2-O 3.45Å; K34-Y107 HydrophobicContact CB-CD1 4.32Å; K34-Y107 HydrophobicContact CB-CD2 3.93Å; K34-Y107 HydrophobicContact CB-CE2 4.44Å; K34-Y107 HydrophobicContact CB-CG 3.86Å; K34-Y107 HydrophobicContact CD-CD1 4.13Å; K34-Y107 HydrophobicContact CD-CE1 3.99Å; K34-Y107 HydrophobicContact CD-CG 4.46Å; W103-Y107 HydrophobicContact CB-CD2 4.18Å; W103-Y107 HydrophobicContact CB-CE2 4.47Å; W103-Y107 AromaticContact CD2-CD2 3.92Å; W103-Y107 HydrophobicContact CD2-CD2 3.92Å; W103-Y107 AromaticContact CD2-CE2 3.6Å; W103-Y107 HydrophobicContact CD2-CE2 3.6Å; W103-Y107 AromaticContact CE3-CD2 3.73Å; W103-Y107 HydrophobicContact CE3-CD2 3.73Å; W103-Y107 AromaticContact CE3-CE2 3.67Å; W103-Y107 HydrophobicContact CE3-CE2 3.67Å; W103-Y107 HydrophobicContact CG-CD2 4.14Å; W103-Y107 AromaticContact CG-CE2 3.97Å; W103-Y107 HydrophobicContact CG-CE2 3.97Å; W103-Y107 HydrophobicContact CZ3-CD2 4.49Å; W103-Y107 HydrophobicContact CZ3-CE2 4.22Å; W103-Y107 WeakPolarHBondContact O-CD2 3.43Å; W103-Y107 PolarHBondContact O-N 2.77Å
108A96Very high96.7Very high6 Ų682.9 Ų82.95%0.0536%0.359CS..THydrogen-bonded Turntrans-126.2-6.8-171.600000114G10 V11 F12 T33 T104G10-A108 CarbonylContact C-O 3.52Å; G10-A108 WeakPolarHBondContact CA-O 3.39Å; V11-A108 PolarHBondContact N-O 3.35Å; F12-A108 HydrophobicContact CD1-CB 3.98Å; F12-A108 HydrophobicContact CD2-CB 4.49Å; F12-A108 HydrophobicContact CE1-CB 3.55Å; F12-A108 HydrophobicContact CE2-CB 4.12Å; F12-A108 HydrophobicContact CG-CB 4.43Å; F12-A108 HydrophobicContact CZ-CB 3.63Å; T33-A108 HydrophobicContact CG2-CB 3.92Å; T104-A108 HydrophobicContact CG2-CB 4.35Å; T104-A108 CarbonylContact O-C 3.58Å; T104-A108 WeakPolarHBondContact O-CA 3.31Å; T104-A108 WeakPolarHBondContact O-CB 3.3Å; T104-A108 PolarHBondContact O-N 3.44Å
109M90.7Very high96.6Very high157 Ų15778.4 Ų78.477%0.77335%0.346SS*.  trans-93.40173.6-68.4-170-167.400112.5T104 Q105T104-M109 HydrophobicContact CG2-CE 4.08Å; T104-M109 PolarHBondContact O-N 2.96Å; Q105-M109 HydrophobicContact CB-CE 4.42Å; Q105-M109 HydrophobicContact CB-SD 4.31Å; Q105-M109 HydrophobicContact CG-CE 3.56Å; Q105-M109 HydrophobicContact CG-SD 3.82Å

Retrieved 109 of 109 residues in 36.2 ms (Link to these results)

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