A0A087YFN8_POEFO Loading...

Leucine-rich repeat and WD repeat-containing protein 1

AlphaFold DB , UniProt , Accession A0A087YFN8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 747 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
1M48.8Very low82.6Confident222 Ų22291.8 Ų91.8100%1.09444%0.437SS*.  0114.20-69.7-176.9-7500106.5
2E57Low83.3Confident121 Ų12190.6 Ų90.657%0.56543%0.429SS*.  trans-87.7105.9178.7-68.1-178.1-174.900108.4M31E2-M31 HydrophobicContact CB-CE 4.19Å; E2-M31 WeakPolarHBondContact OE2-CE 3.5Å
3K72.9Confident84Confident159 Ų15983.7 Ų83.769%0.69140%0.397SS*.  trans-70.2140.4171.6-68-168.6173.9-168.20109.2T5K3-T5 PolarHBondContact O-N 2.79Å
4I88.3Confident84.5Confident12 Ų1281.9 Ų81.96%0.06240%0.397CS..  trans-61.2129.1172.6-66.5-176.9000109.7L8 L9 L28 L33 D37 L38 P39 L42 L43I4-L8 HydrophobicContact CG1-CD2 4.41Å; I4-L9 HydrophobicContact CG2-CD1 3.94Å; I4-L9 HydrophobicContact CG2-CD2 3.78Å; I4-L9 HydrophobicContact CG2-CG 3.78Å; I4-L28 HydrophobicContact CD1-CD1 3.57Å; I4-L28 HydrophobicContact CG1-CD1 4.4Å; I4-L33 HydrophobicContact CD1-CD1 4.34Å; I4-L33 HydrophobicContact CG1-CD2 4.23Å; I4-D37 WeakPolarHBondContact CB-O 3.34Å; I4-D37 VanDerWaalsContact CD1-O 3.27Å; I4-D37 WeakPolarHBondContact CD1-O 3.17Å; I4-D37 WeakPolarHBondContact CG1-O 3.32Å; I4-L38 HydrophobicContact CD1-CD2 3.49Å; I4-L38 VanDerWaalsContact CD1-CD2 3.49Å; I4-P39 HydrophobicContact CB-CG 4.22Å; I4-P39 HydrophobicContact CG2-CG 4.21Å; I4-L42 HydrophobicContact CG2-CD2 4.2Å; I4-L43 HydrophobicContact CG2-CD2 4.49Å
5T91.6Very high85Confident71 Ų7180.3 Ų80.344%0.43640%0.396SS..  trans-133.6158.1176.3550000109.1K3 K7 L8 L9K3-T5 PolarHBondContact O-N 2.79Å; T5-K7 VanDerWaalsContact C-N 3.25Å; T5-K7 PolarHBondContact O-N 3.15Å; T5-L8 WeakPolarHBondContact O-CB 3.43Å; T5-L8 PolarHBondContact O-N 3.29Å; T5-L8 PolarHBondContact OG1-N 3.48Å; T5-L9 PolarHBondContact O-N 3.37Å
6E91.2Very high85.4Confident103 Ų10384.5 Ų84.548%0.48141%0.411SS..Hα-helixtrans-53.4-43.1176.2173.8164.2-152.200112.2L8 L9 L10 L20 L42E6-L8 VanDerWaalsContact C-N 3.33Å; E6-L8 PolarHBondContact O-N 3.26Å; E6-L9 PolarHBondContact O-N 3.08Å; E6-L10 HydrophobicContact CG-CD1 3.91Å; E6-L10 HydrophobicContact CG-CG 4.44Å; E6-L10 WeakPolarHBondContact O-CG 3.34Å; E6-L10 PolarHBondContact O-N 2.88Å; E6-L20 HydrophobicContact CB-CD1 4.37Å; E6-L20 HydrophobicContact CG-CD1 3.96Å; E6-L20 HydrophobicContact CG-CD2 4.17Å; E6-L20 HydrophobicContact CG-CG 4.1Å; E6-L42 HydrophobicContact CB-CD1 4.27Å
7K90.8Very high85.6Confident165 Ų16581.6 Ų81.672%0.71740%0.4SS*.Hα-helixtrans-56.7-45.2175.3-174.1-176.7176.7-173.90112.2T5 L10 E11T5-K7 VanDerWaalsContact C-N 3.25Å; T5-K7 PolarHBondContact O-N 3.15Å; K7-L10 PolarHBondContact O-N 3.33Å; K7-E11 WeakPolarHBondContact O-CB 3.5Å; K7-E11 PolarHBondContact O-N 2.97Å
8L91.6Very high85.7Confident15 Ų1584.4 Ų84.48%0.07942%0.417CS..Hα-helixtrans-65.2-40.8177.8-176.871000111.5I4 T5 E6 E11 K12 L28 M31I4-L8 HydrophobicContact CG1-CD2 4.41Å; T5-L8 WeakPolarHBondContact O-CB 3.43Å; T5-L8 PolarHBondContact O-N 3.29Å; T5-L8 PolarHBondContact OG1-N 3.48Å; E6-L8 VanDerWaalsContact C-N 3.33Å; E6-L8 PolarHBondContact O-N 3.26Å; L8-E11 PolarHBondContact O-N 3.27Å; L8-K12 HydrophobicContact CD1-CD 4.46Å; L8-K12 HydrophobicContact CD1-CG 3.92Å; L8-K12 HydrophobicContact CG-CG 4.18Å; L8-K12 WeakPolarHBondContact O-CB 3.27Å; L8-K12 WeakPolarHBondContact O-CG 3.46Å; L8-K12 PolarHBondContact O-N 3.36Å; L8-L28 HydrophobicContact CD2-CD2 4.47Å; L8-M31 HydrophobicContact CD1-CE 4.17Å; L8-M31 HydrophobicContact CD2-CE 3.87Å
9L92.2Very high85.9Confident0 Ų086.2 Ų86.20%042%0.422CS..Hα-helixtrans-64.1-41.6177.6-66.3175.5000111.9I4 T5 E6 G13 L20 I23 L26 L28 L42 L43I4-L9 HydrophobicContact CG2-CD1 3.94Å; I4-L9 HydrophobicContact CG2-CD2 3.78Å; I4-L9 HydrophobicContact CG2-CG 3.78Å; T5-L9 PolarHBondContact O-N 3.37Å; E6-L9 PolarHBondContact O-N 3.08Å; L9-G13 WeakPolarHBondContact O-CA 3.28Å; L9-G13 PolarHBondContact O-N 3.28Å; L9-L20 HydrophobicContact CB-CD2 3.57Å; L9-L20 HydrophobicContact CD1-CD1 4.49Å; L9-L20 HydrophobicContact CD1-CD2 4.11Å; L9-I23 WeakPolarHBondContact O-CD1 3.26Å; L9-L26 HydrophobicContact CD2-CD1 4.12Å; L9-L26 HydrophobicContact CD2-CD2 3.74Å; L9-L28 HydrophobicContact CD2-CD1 4.16Å; L9-L42 HydrophobicContact CD1-CD1 4.45Å; L9-L42 HydrophobicContact CD1-CD2 3.91Å; L9-L42 HydrophobicContact CD1-CG 3.81Å; L9-L43 HydrophobicContact CD1-CD2 4.24Å; L9-L43 HydrophobicContact CD2-CD2 4.09Å
10L91.9Very high86.1Confident40 Ų4082.4 Ų82.421%0.20940%0.404CS..Hα-helixtrans-67.4-36.6174.2-63.8167.4000112E6 K7 L20 I23E6-L10 HydrophobicContact CG-CD1 3.91Å; E6-L10 HydrophobicContact CG-CG 4.44Å; E6-L10 WeakPolarHBondContact O-CG 3.34Å; E6-L10 PolarHBondContact O-N 2.88Å; K7-L10 PolarHBondContact O-N 3.33Å; L10-L20 HydrophobicContact CD2-CD2 3.94Å; L10-L20 HydrophobicContact CG-CD2 3.94Å; L10-I23 HydrophobicContact CD2-CD1 4.3Å
11E92.1Very high86.4Confident102 Ų10282.7 Ų82.748%0.47740%0.404SS..Hα-helixtrans-67.8-45.3176.2-169.5-158.6113.100112.3K7 L8 K16K7-E11 WeakPolarHBondContact O-CB 3.5Å; K7-E11 PolarHBondContact O-N 2.97Å; L8-E11 PolarHBondContact O-N 3.27Å; E11-K16 PolarHBondContact O-NZ 2.94Å
12K91.4Very high88.5Confident77 Ų7776.6 Ų76.634%0.33537%0.373SS..Hα-helixtrans-86.4-13-178.4-60-52.6-170.6-145.30114L8 L26 N27 L28L8-K12 HydrophobicContact CD1-CD 4.46Å; L8-K12 HydrophobicContact CD1-CG 3.92Å; L8-K12 HydrophobicContact CG-CG 4.18Å; L8-K12 WeakPolarHBondContact O-CB 3.27Å; L8-K12 WeakPolarHBondContact O-CG 3.46Å; L8-K12 PolarHBondContact O-N 3.36Å; K12-L26 HydrophobicContact CB-CD1 3.93Å; K12-N27 WeakPolarHBondContact CB-O 3.29Å; K12-L28 HydrophobicContact CB-CD2 4.03Å; K12-L28 HydrophobicContact CG-CD2 3.96Å
13G91.9Very high90.3Very high1 Ų170.9 Ų70.91%0.0135%0.346CS..EExtended strand (participates in β ladder)trans-77.5159.6177.900000114.1L9 K16 T25L9-G13 WeakPolarHBondContact O-CA 3.28Å; L9-G13 PolarHBondContact O-N 3.28Å; G13-K16 PolarHBondContact O-NZ 3.36Å; G13-T25 CarbonylContact C-O 3.58Å; G13-T25 WeakPolarHBondContact CA-O 3.32Å
14S92.1Very high91.4Very high58 Ų5867.8 Ų67.841%0.40633%0.333SS..EExtended strand (participates in β ladder)trans-146.9139.1169.8166.10000109.9K24 T25S14-K24 PolarHBondContact O-N 3.28Å; S14-T25 VanDerWaalsContact CB-OG1 3.23Å; S14-T25 WeakPolarHBondContact CB-OG1 3.47Å; S14-T25 PolarHBondContact N-O 2.94Å; S14-T25 PolarHBondContact O-N 3.41Å; S14-T25 PolarHBondContact O-OG1 2.91Å
15P91.3Very high91.8Very high58 Ų5869.6 Ų69.638%0.37734%0.344SS..SBendcis-65.9158.62.228.9-36.3000113.1T17P15-T17 HydrophobicContact CB-CG2 4.46Å; P15-T17 HydrophobicContact CG-CG2 4.07Å; P15-T17 PolarHBondContact O-N 2.93Å; P15-T17 PolarHBondContact O-OG1 3.44Å
16K90.7Very high92.1Very high148 Ų14866.5 Ų66.564%0.64333%0.325SS*.  trans-68.7116.8176.7-63.9-54.7-180-160.50109.4E11 G13E11-K16 PolarHBondContact O-NZ 2.94Å; G13-K16 PolarHBondContact O-NZ 3.36Å
17T88.8Confident92.3Very high35 Ų3565 Ų6522%0.21532%0.32CS..  trans-143.6167-169.449.70000109P15 Q22P15-T17 HydrophobicContact CB-CG2 4.46Å; P15-T17 HydrophobicContact CG-CG2 4.07Å; P15-T17 PolarHBondContact O-N 2.93Å; P15-T17 PolarHBondContact O-OG1 3.44Å; T17-Q22 HydrophobicContact CG2-CB 3.76Å
18N88.1Confident92.5Very high133 Ų13357.1 Ų57.171%0.71129%0.286SS*.SBendtrans-111.119.5174.358-6.6000112
19K90Very high92.6Very high117 Ų11757.9 Ų57.951%0.50929%0.293SS..  trans-142121.6179.2-66-173.6177.3-172.10110.1E21 Q22K19-E21 PolarHBondContact O-N 3.48Å; K19-Q22 HydrophobicContact CB-CG 4.16Å; K19-Q22 PolarHBondContact O-N 3.43Å; K19-Q22 VanDerWaalsContact O-N 3.07Å
20L89.7Confident92.5Very high11 Ų1165.8 Ų65.86%0.05833%0.327CS..G310 helixtrans-54.4-36.6179.5-66.7178.2000113.2E6 L9 L10 Q22 I23 L42 C45 L46E6-L20 HydrophobicContact CB-CD1 4.37Å; E6-L20 HydrophobicContact CG-CD1 3.96Å; E6-L20 HydrophobicContact CG-CD2 4.17Å; E6-L20 HydrophobicContact CG-CG 4.1Å; L9-L20 HydrophobicContact CB-CD2 3.57Å; L9-L20 HydrophobicContact CD1-CD1 4.49Å; L9-L20 HydrophobicContact CD1-CD2 4.11Å; L10-L20 HydrophobicContact CD2-CD2 3.94Å; L10-L20 HydrophobicContact CG-CD2 3.94Å; L20-Q22 PolarHBondContact O-N 3.33Å; L20-Q22 VanDerWaalsContact O-N 3.09Å; L20-I23 HydrophobicContact CD2-CD1 3.9Å; L20-I23 PolarHBondContact O-N 2.85Å; L20-L42 HydrophobicContact CD1-CD1 3.57Å; L20-L42 HydrophobicContact CD1-CG 4.5Å; L20-C45 HydrophobicContact CB-CB 4.16Å; L20-C45 HydrophobicContact CD1-CB 4.09Å; L20-L46 HydrophobicContact CB-CD2 4.06Å; L20-L46 HydrophobicContact CD2-CD2 4.17Å
21E92.7Very high92.4Very high89 Ų8965.9 Ų65.942%0.41633%0.327SS..G310 helixtrans-58.5-23.8-179.9-59.9-175.1129.900113.7K19 C45 K47 S48K19-E21 PolarHBondContact O-N 3.48Å; E21-C45 WeakPolarHBondContact CA-O 3.23Å; E21-C45 WeakPolarHBondContact CG-O 3.31Å; E21-C45 PolarHBondContact N-O 3.09Å; E21-K47 HydrophobicContact CG-CD 4.33Å; E21-K47 WeakPolarHBondContact OE1-CD 3.41Å; E21-K47 WeakPolarHBondContact OE1-CE 3.45Å; E21-K47 IonicContact OE1-NZ 2.73Å; E21-K47 PolarHBondContact OE1-NZ 2.87Å; E21-S48 VanDerWaalsContact O-CB 3.24Å; E21-S48 WeakPolarHBondContact O-CB 3.35Å; E21-S48 PolarHBondContact O-N 2.89Å; E21-S48 PolarHBondContact O-OG 3.34Å
22Q92.4Very high92.3Very high93 Ų9363.2 Ų63.244%0.43532%0.322SS..G310 helixtrans-93.4-2.8-176.1-61.5-178.4-32.900114.1T17 K19 L20 K24T17-Q22 HydrophobicContact CG2-CB 3.76Å; K19-Q22 HydrophobicContact CB-CG 4.16Å; K19-Q22 PolarHBondContact O-N 3.43Å; K19-Q22 VanDerWaalsContact O-N 3.07Å; L20-Q22 PolarHBondContact O-N 3.33Å; L20-Q22 VanDerWaalsContact O-N 3.09Å; Q22-K24 PolarHBondContact O-N 2.89Å
23I95.6Very high92.2Very high1 Ų159.6 Ų59.61%0.00531%0.307CS..  trans-73117.7178.3-62.7172.8000109.1L9 L10 L20 T25 L26 L46 S48 L49L9-I23 WeakPolarHBondContact O-CD1 3.26Å; L10-I23 HydrophobicContact CD2-CD1 4.3Å; L20-I23 HydrophobicContact CD2-CD1 3.9Å; L20-I23 PolarHBondContact O-N 2.85Å; I23-T25 VanDerWaalsContact CG2-O 3.26Å; I23-T25 WeakPolarHBondContact CG2-O 3.12Å; I23-L26 HydrophobicContact CG2-CB 4.36Å; I23-L46 HydrophobicContact CB-CD2 4.24Å; I23-L46 HydrophobicContact CD1-CD2 3.81Å; I23-S48 CarbonylContact O-C 3.55Å; I23-S48 VanDerWaalsContact O-C 3.32Å; I23-L49 HydrophobicContact CG2-CD1 4.02Å; I23-L49 VanDerWaalsContact O-CA 3.23Å; I23-L49 WeakPolarHBondContact O-CA 3.36Å; I23-L49 PolarHBondContact O-N 3Å
24K96.1Very high92.2Very high94 Ų9464.5 Ų64.541%0.40933%0.328SS..  trans-92.1-28175.7-75.7174.7169.7-85.20113.4S14 Q22 S48 E50 R51S14-K24 PolarHBondContact O-N 3.28Å; Q22-K24 PolarHBondContact O-N 2.89Å; K24-S48 WeakPolarHBondContact CA-O 3.35Å; K24-E50 IonicContact NZ-OE1 3.67Å; K24-E50 PolarHBondContact NZ-OE1 3.49Å; K24-E50 IonicContact NZ-OE2 3.32Å; K24-E50 WeakPolarHBondContact O-CA 3.41Å; K24-E50 PolarHBondContact O-N 2.86Å; K24-R51 PolarHBondContact O-N 2.82Å
25T96.4Very high92.1Very high50 Ų5064.7 Ų64.731%0.30732%0.324SS..EExtended strand (participates in β ladder)trans-138.1134.5-175.555.30000109.9G13 S14 I23 R51G13-T25 CarbonylContact C-O 3.58Å; G13-T25 WeakPolarHBondContact CA-O 3.32Å; S14-T25 VanDerWaalsContact CB-OG1 3.23Å; S14-T25 WeakPolarHBondContact CB-OG1 3.47Å; S14-T25 PolarHBondContact N-O 2.94Å; S14-T25 PolarHBondContact O-N 3.41Å; S14-T25 PolarHBondContact O-OG1 2.91Å; I23-T25 VanDerWaalsContact CG2-O 3.26Å; I23-T25 WeakPolarHBondContact CG2-O 3.12Å; T25-R51 WeakPolarHBondContact CA-O 3.39Å; T25-R51 HydrophobicContact CG2-CB 4.05Å; T25-R51 HydrophobicContact CG2-CG 4.14Å
26L97.2Very high92Very high6 Ų669.7 Ų69.73%0.03134%0.342CS..EExtended strand (participates in β ladder)trans-137130.8-176.9177.560.3000110.1L9 K12 I23 L28 L46 L49 R51 W52 D53L9-L26 HydrophobicContact CD2-CD1 4.12Å; L9-L26 HydrophobicContact CD2-CD2 3.74Å; K12-L26 HydrophobicContact CB-CD1 3.93Å; I23-L26 HydrophobicContact CG2-CB 4.36Å; L26-L28 HydrophobicContact CD1-CD2 4.17Å; L26-L28 HydrophobicContact CD1-CG 4.1Å; L26-L28 HydrophobicContact CD2-CD1 4.06Å; L26-L28 HydrophobicContact CD2-CG 4.36Å; L26-L28 HydrophobicContact CG-CD1 4.3Å; L26-L28 HydrophobicContact CG-CG 4.05Å; L26-L46 HydrophobicContact CD2-CD1 3.78Å; L26-L49 HydrophobicContact CB-CD1 3.6Å; L26-L49 HydrophobicContact CD2-CD2 4.5Å; L26-R51 PolarHBondContact N-O 3.24Å; L26-W52 WeakPolarHBondContact O-CA 3.41Å; L26-D53 PolarHBondContact O-N 2.87Å
27N95.4Very high92Very high71 Ų7163.8 Ų63.838%0.3832%0.318SS..EExtended strand (participates in β ladder)trans-119.7113.2175-165.4-51.3000111.1K12 S29 D53K12-N27 WeakPolarHBondContact CB-O 3.29Å; N27-S29 VanDerWaalsContact OD1-CB 3.29Å; N27-S29 WeakPolarHBondContact OD1-CB 3.39Å; N27-S29 PolarHBondContact OD1-N 2.92Å; N27-S29 PolarHBondContact OD1-OG 2.93Å; N27-D53 HydrophobicContact CB-CB 4.45Å; N27-D53 PolarHBondContact ND2-OD2 3.2Å
28L95.1Very high92.1Very high0 Ų062.4 Ų62.40%031%0.309CS..  trans-12129.1174.8-60.9177.9000110.5I4 L8 L9 K12 L26 M31 L33 W52 D53 L54 N57I4-L28 HydrophobicContact CD1-CD1 3.57Å; I4-L28 HydrophobicContact CG1-CD1 4.4Å; L8-L28 HydrophobicContact CD2-CD2 4.47Å; L9-L28 HydrophobicContact CD2-CD1 4.16Å; K12-L28 HydrophobicContact CB-CD2 4.03Å; K12-L28 HydrophobicContact CG-CD2 3.96Å; L26-L28 HydrophobicContact CD1-CD2 4.17Å; L26-L28 HydrophobicContact CD1-CG 4.1Å; L26-L28 HydrophobicContact CD2-CD1 4.06Å; L26-L28 HydrophobicContact CD2-CG 4.36Å; L26-L28 HydrophobicContact CG-CD1 4.3Å; L26-L28 HydrophobicContact CG-CG 4.05Å; L28-M31 HydrophobicContact CB-SD 4.17Å; L28-M31 HydrophobicContact CD2-SD 3.83Å; L28-L33 HydrophobicContact CB-CD1 4Å; L28-W52 HydrophobicContact CD1-CZ2 4.31Å; L28-D53 PolarHBondContact N-O 3.38Å; L28-L54 HydrophobicContact CB-CD2 4.03Å; L28-L54 HydrophobicContact CD1-CD2 4.38Å; L28-N57 PolarHBondContact O-ND2 2.93Å
29S93.2Very high92.3Very high31 Ų3158.5 Ų58.522%0.21729%0.291CS..THydrogen-bonded Turntrans-68.2148.8-179.566.90000112.2N27 M31 S55N27-S29 VanDerWaalsContact OD1-CB 3.29Å; N27-S29 WeakPolarHBondContact OD1-CB 3.39Å; N27-S29 PolarHBondContact OD1-N 2.92Å; N27-S29 PolarHBondContact OD1-OG 2.93Å; S29-M31 WeakPolarHBondContact O-CG 3.39Å; S29-M31 PolarHBondContact O-N 3.49Å; S29-M31 VanDerWaalsContact O-N 3.11Å; S29-S55 CarbonylContact C-O 3.53Å; S29-S55 WeakPolarHBondContact CA-O 3.43Å; S29-S55 VanDerWaalsContact CB-O 3.25Å; S29-S55 WeakPolarHBondContact CB-O 3.12Å; S29-S55 WeakPolarHBondContact CB-OG 3.34Å
30K90.7Very high92.4Very high167 Ų16755.1 Ų55.173%0.72628%0.28SS*.THydrogen-bonded Turntrans58.823.4172.7-57.4176.5-176.7175.20115.2A32 S55 G56K30-A32 VanDerWaalsContact C-N 3.33Å; K30-S55 PolarHBondContact N-O 3.1Å; K30-G56 WeakPolarHBondContact CA-O 3.41Å
31M90.1Very high92.5Very high41 Ų4164 Ų6420%0.20232%0.318CS..SBendtrans-88.71.1178.6-62.5-163.568.600113.5E2 L8 L28 S29 L33 N57E2-M31 HydrophobicContact CB-CE 4.19Å; E2-M31 WeakPolarHBondContact OE2-CE 3.5Å; L8-M31 HydrophobicContact CD1-CE 4.17Å; L8-M31 HydrophobicContact CD2-CE 3.87Å; L28-M31 HydrophobicContact CB-SD 4.17Å; L28-M31 HydrophobicContact CD2-SD 3.83Å; S29-M31 WeakPolarHBondContact O-CG 3.39Å; S29-M31 PolarHBondContact O-N 3.49Å; S29-M31 VanDerWaalsContact O-N 3.11Å; M31-L33 HydrophobicContact CB-CD1 3.99Å; M31-L33 HydrophobicContact CB-CD2 4.36Å; M31-L33 HydrophobicContact CB-CG 3.78Å; M31-L33 PolarHBondContact O-N 2.95Å; M31-N57 WeakPolarHBondContact CA-OD1 3.41Å; M31-N57 PolarHBondContact N-OD1 3.26Å
32A88.4Confident92.4Very high46 Ų4661.5 Ų61.538%0.3831%0.308SS..  trans58.425-176.100000115.2K30 N57K30-A32 VanDerWaalsContact C-N 3.33Å; A32-N57 PolarHBondContact N-OD1 2.94Å
33L89.9Confident92.5Very high2 Ų257.1 Ų57.11%0.0129%0.287CS..  trans-61.8143.7-176.3-62.8164.9000112.9I4 L28 M31 D37 L38 L54 N57 R58I4-L33 HydrophobicContact CD1-CD1 4.34Å; I4-L33 HydrophobicContact CG1-CD2 4.23Å; L28-L33 HydrophobicContact CB-CD1 4Å; M31-L33 HydrophobicContact CB-CD1 3.99Å; M31-L33 HydrophobicContact CB-CD2 4.36Å; M31-L33 HydrophobicContact CB-CG 3.78Å; M31-L33 PolarHBondContact O-N 2.95Å; L33-D37 HydrophobicContact CB-CB 4.35Å; L33-D37 HydrophobicContact CD2-CB 3.57Å; L33-L38 HydrophobicContact CD1-CD2 4.33Å; L33-L54 HydrophobicContact CD1-CD2 4.34Å; L33-N57 HydrophobicContact CB-CB 4.29Å; L33-N57 PolarHBondContact N-OD1 2.97Å; L33-R58 CarbonylContact O-C 3.36Å; L33-R58 WeakPolarHBondContact O-CA 3.28Å; L33-R58 PolarHBondContact O-N 3.45Å
34K91.9Very high92.3Very high103 Ų10358.3 Ų58.345%0.44830%0.296SS..  trans-105.6176164.4-59.8-177.6-177.5-179.90111E36 D37 L59K34-E36 VanDerWaalsContact C-N 3.26Å; K34-E36 PolarHBondContact O-N 3.48Å; K34-D37 PolarHBondContact N-OD2 3.42Å; K34-D37 WeakPolarHBondContact O-CB 3.36Å; K34-D37 PolarHBondContact O-N 3.07Å; K34-L59 VanDerWaalsContact C-CD2 3.42Å
35L89.7Confident92.2Very high62 Ų6256.1 Ų56.133%0.32529%0.291SS..G310 helixtrans-53.2-42170.7-177.773.1000112.7D37 L38 E61 P63L35-D37 PolarHBondContact O-N 3.46Å; L35-L38 WeakPolarHBondContact O-CB 3.4Å; L35-L38 PolarHBondContact O-N 3.48Å; L35-E61 HydrophobicContact CD1-CG 4.04Å; L35-E61 HydrophobicContact CD2-CG 3.7Å; L35-E61 WeakPolarHBondContact CD2-OE1 3.23Å; L35-E61 HydrophobicContact CG-CG 4.39Å; L35-P63 HydrophobicContact CD1-CB 4.33Å; L35-P63 HydrophobicContact CD1-CG 4.01Å
36E89.4Confident92.1Very high164 Ų16453.7 Ų53.777%0.76628%0.277SS*.G310 helixtrans-58.3-26.9178.4-64.6168.3-119.600113.1K34 L38K34-E36 VanDerWaalsContact C-N 3.26Å; K34-E36 PolarHBondContact O-N 3.48Å; E36-L38 VanDerWaalsContact C-N 3.33Å
37D90.3Very high91.9Very high23 Ų2358.7 Ų58.712%0.12330%0.298CS..G310 helixtrans-86.4-1.5179.2-54.2-65.8000112.8I4 L33 K34 L35 P39I4-D37 WeakPolarHBondContact CB-O 3.34Å; I4-D37 VanDerWaalsContact CD1-O 3.27Å; I4-D37 WeakPolarHBondContact CD1-O 3.17Å; I4-D37 WeakPolarHBondContact CG1-O 3.32Å; L33-D37 HydrophobicContact CB-CB 4.35Å; L33-D37 HydrophobicContact CD2-CB 3.57Å; K34-D37 PolarHBondContact N-OD2 3.42Å; K34-D37 WeakPolarHBondContact O-CB 3.36Å; K34-D37 PolarHBondContact O-N 3.07Å; L35-D37 PolarHBondContact O-N 3.46Å; D37-P39 VanDerWaalsContact C-CD 3.44Å; D37-P39 WeakPolarHBondContact O-CD 3.47Å
38L91.8Very high91.9Very high6 Ų657.9 Ų57.93%0.03130%0.298CS..  trans-105.878.8-179.9-59.6-171.8000112.3I4 L33 L35 E36 V40 L43 L54 L59 P63I4-L38 HydrophobicContact CD1-CD2 3.49Å; I4-L38 VanDerWaalsContact CD1-CD2 3.49Å; L33-L38 HydrophobicContact CD1-CD2 4.33Å; L35-L38 WeakPolarHBondContact O-CB 3.4Å; L35-L38 PolarHBondContact O-N 3.48Å; E36-L38 VanDerWaalsContact C-N 3.33Å; L38-V40 PolarHBondContact O-N 3.43Å; L38-L43 HydrophobicContact CB-CD1 3.83Å; L38-L43 HydrophobicContact CD2-CD1 4.46Å; L38-L54 HydrophobicContact CD2-CD2 4.26Å; L38-L59 HydrophobicContact CD1-CD1 4.04Å; L38-L59 HydrophobicContact CD1-CD2 3.66Å; L38-L59 HydrophobicContact CG-CD2 4.17Å; L38-P63 HydrophobicContact CB-CG 3.55Å; L38-P63 HydrophobicContact CD1-CG 3.57Å; L38-P63 HydrophobicContact CG-CG 4.22Å
39P92.4Very high92Very high51 Ų5157.9 Ų57.933%0.33130%0.298SS..  trans-70.399.2-175.628.5-36.5000112.8I4 D37 K41 L42 L43I4-P39 HydrophobicContact CB-CG 4.22Å; I4-P39 HydrophobicContact CG2-CG 4.21Å; D37-P39 VanDerWaalsContact C-CD 3.44Å; D37-P39 WeakPolarHBondContact O-CD 3.47Å; P39-K41 VanDerWaalsContact C-N 3.3Å; P39-K41 PolarHBondContact O-N 2.98Å; P39-K41 VanDerWaalsContact O-N 3.13Å; P39-L42 HydrophobicContact CB-CB 4.31Å; P39-L42 HydrophobicContact CG-CB 4.08Å; P39-L42 HydrophobicContact CG-CD2 4.07Å; P39-L42 PolarHBondContact O-N 3.42Å; P39-L43 PolarHBondContact O-N 3.49Å
40V92.3Very high92.2Very high46 Ų4659.7 Ų59.728%0.27930%0.303SS..Hα-helixtrans-42.5-50.8-179.3178.60000113.2L38 L42 L43 S44 P63 R65L38-V40 PolarHBondContact O-N 3.43Å; V40-L42 PolarHBondContact O-N 3.25Å; V40-L43 PolarHBondContact O-N 2.94Å; V40-S44 PolarHBondContact O-N 3.35Å; V40-S44 PolarHBondContact O-OG 3.21Å; V40-P63 HydrophobicContact CG2-CB 3.56Å; V40-R65 WeakPolarHBondContact CG1-O 3.41Å
41K90.5Very high92.6Very high197 Ų19758.4 Ų58.486%0.85729%0.294SS*.Hα-helixtrans-58.2-33-177.4-69.7-170.7177-174.30114.1P39P39-K41 VanDerWaalsContact C-N 3.3Å; P39-K41 PolarHBondContact O-N 2.98Å; P39-K41 VanDerWaalsContact O-N 3.13Å
42L92Very high92.9Very high38 Ų3856.5 Ų56.520%0.19928%0.284CS..Hα-helixtrans-86.5-35.9179.3177.965.5000111.1I4 E6 L9 L20 P39 V40 C45I4-L42 HydrophobicContact CG2-CD2 4.2Å; E6-L42 HydrophobicContact CB-CD1 4.27Å; L9-L42 HydrophobicContact CD1-CD1 4.45Å; L9-L42 HydrophobicContact CD1-CD2 3.91Å; L9-L42 HydrophobicContact CD1-CG 3.81Å; L20-L42 HydrophobicContact CD1-CD1 3.57Å; L20-L42 HydrophobicContact CD1-CG 4.5Å; P39-L42 HydrophobicContact CB-CB 4.31Å; P39-L42 HydrophobicContact CG-CB 4.08Å; P39-L42 HydrophobicContact CG-CD2 4.07Å; P39-L42 PolarHBondContact O-N 3.42Å; V40-L42 PolarHBondContact O-N 3.25Å; L42-C45 VanDerWaalsContact O-CB 3.3Å; L42-C45 WeakPolarHBondContact O-CB 3.39Å; L42-C45 PolarHBondContact O-N 2.87Å
43L93Very high93.4Very high0 Ų055.9 Ų55.90%027%0.274CS..Hα-helixtrans-72.8-34.1-179.7-65.9167000111.9I4 L9 L38 P39 V40 C45 L46 W52 L66 L68I4-L43 HydrophobicContact CG2-CD2 4.49Å; L9-L43 HydrophobicContact CD1-CD2 4.24Å; L9-L43 HydrophobicContact CD2-CD2 4.09Å; L38-L43 HydrophobicContact CB-CD1 3.83Å; L38-L43 HydrophobicContact CD2-CD1 4.46Å; P39-L43 PolarHBondContact O-N 3.49Å; V40-L43 PolarHBondContact O-N 2.94Å; L43-C45 PolarHBondContact O-N 2.57Å; L43-C45 VanDerWaalsContact O-N 3.1Å; L43-L46 HydrophobicContact CD2-CD1 3.87Å; L43-L46 VanDerWaalsContact O-CB 3.27Å; L43-L46 WeakPolarHBondContact O-CB 3.49Å; L43-L46 VanDerWaalsContact O-CG 3.3Å; L43-L46 WeakPolarHBondContact O-CG 3.32Å; L43-L46 PolarHBondContact O-N 3.4Å; L43-W52 HydrophobicContact CD1-CH2 4.07Å; L43-W52 HydrophobicContact CD1-CZ2 4.48Å; L43-W52 HydrophobicContact CD2-CH2 4.21Å; L43-W52 HydrophobicContact CD2-CZ2 4.08Å; L43-L66 HydrophobicContact CB-CD1 3.52Å; L43-L66 HydrophobicContact CB-CD2 4.15Å; L43-L66 HydrophobicContact CD1-CD2 4.3Å; L43-L68 WeakPolarHBondContact O-CD2 3.27Å
44S93.2Very high93.7Very high27 Ų2755.8 Ų55.819%0.18927%0.274CS..THydrogen-bonded Turntrans-64.8-8171.7-62.60000113.9V40 E67V40-S44 PolarHBondContact O-N 3.35Å; V40-S44 PolarHBondContact O-OG 3.21Å; S44-E67 PolarHBondContact OG-N 3.12Å
45C93.2Very high93.6Very high47 Ų4751.9 Ų51.932%0.31826%0.26SS..THydrogen-bonded Turntrans-74.2-14.3169.2-59.10000112.9L20 E21 L42 L43 K47L20-C45 HydrophobicContact CB-CB 4.16Å; L20-C45 HydrophobicContact CD1-CB 4.09Å; E21-C45 WeakPolarHBondContact CA-O 3.23Å; E21-C45 WeakPolarHBondContact CG-O 3.31Å; E21-C45 PolarHBondContact N-O 3.09Å; L42-C45 VanDerWaalsContact O-CB 3.3Å; L42-C45 WeakPolarHBondContact O-CB 3.39Å; L42-C45 PolarHBondContact O-N 2.87Å; L43-C45 PolarHBondContact O-N 2.57Å; L43-C45 VanDerWaalsContact O-N 3.1Å; C45-K47 PolarHBondContact O-N 2.75Å
46L94.3Very high93.4Very high0 Ų049.9 Ų49.90%025%0.254CS..  trans-81.751.2-175.6-57.4168.7000111.9L20 I23 L26 L43 S48 L49 L68L20-L46 HydrophobicContact CB-CD2 4.06Å; L20-L46 HydrophobicContact CD2-CD2 4.17Å; I23-L46 HydrophobicContact CB-CD2 4.24Å; I23-L46 HydrophobicContact CD1-CD2 3.81Å; L26-L46 HydrophobicContact CD2-CD1 3.78Å; L43-L46 HydrophobicContact CD2-CD1 3.87Å; L43-L46 VanDerWaalsContact O-CB 3.27Å; L43-L46 WeakPolarHBondContact O-CB 3.49Å; L43-L46 VanDerWaalsContact O-CG 3.3Å; L43-L46 WeakPolarHBondContact O-CG 3.32Å; L43-L46 PolarHBondContact O-N 3.4Å; L46-S48 VanDerWaalsContact C-N 3.31Å; L46-S48 PolarHBondContact O-N 3.38Å; L46-L49 HydrophobicContact CB-CB 4.01Å; L46-L49 HydrophobicContact CB-CD2 4.25Å; L46-L49 HydrophobicContact CD1-CD2 4.17Å; L46-L49 WeakPolarHBondContact O-CB 3.23Å; L46-L49 PolarHBondContact O-N 3.47Å; L46-L68 HydrophobicContact CB-CD2 3.84Å
47K92.9Very high93.5Very high110 Ų11042.4 Ų42.448%0.47822%0.22SC..THydrogen-bonded Turntrans-57.4-34.6-167.9-66.4174-176.41650114.7E21 C45 A70E21-K47 HydrophobicContact CG-CD 4.33Å; E21-K47 WeakPolarHBondContact OE1-CD 3.41Å; E21-K47 WeakPolarHBondContact OE1-CE 3.45Å; E21-K47 IonicContact OE1-NZ 2.73Å; E21-K47 PolarHBondContact OE1-NZ 2.87Å; C45-K47 PolarHBondContact O-N 2.75Å; K47-A70 WeakPolarHBondContact O-CB 3.14Å
48S95.4Very high93.4Very high54 Ų5448.3 Ų48.338%0.37824%0.24SC..THydrogen-bonded Turntrans-95.814.8177.8-590000114.6E21 I23 K24 L46 E50E21-S48 VanDerWaalsContact O-CB 3.24Å; E21-S48 WeakPolarHBondContact O-CB 3.35Å; E21-S48 PolarHBondContact O-N 2.89Å; E21-S48 PolarHBondContact O-OG 3.34Å; I23-S48 CarbonylContact O-C 3.55Å; I23-S48 VanDerWaalsContact O-C 3.32Å; K24-S48 WeakPolarHBondContact CA-O 3.35Å; L46-S48 VanDerWaalsContact C-N 3.31Å; L46-S48 PolarHBondContact O-N 3.38Å; S48-E50 PolarHBondContact O-N 3.44Å
49L97.6Very high93.4Very high0 Ų048 Ų480%024%0.239CC..  trans-69.4111.5179.9-173.470.4000111.4I23 L26 L46 R51 W52 L68 A70 L71I23-L49 HydrophobicContact CG2-CD1 4.02Å; I23-L49 VanDerWaalsContact O-CA 3.23Å; I23-L49 WeakPolarHBondContact O-CA 3.36Å; I23-L49 PolarHBondContact O-N 3Å; L26-L49 HydrophobicContact CB-CD1 3.6Å; L26-L49 HydrophobicContact CD2-CD2 4.5Å; L46-L49 HydrophobicContact CB-CB 4.01Å; L46-L49 HydrophobicContact CB-CD2 4.25Å; L46-L49 HydrophobicContact CD1-CD2 4.17Å; L46-L49 WeakPolarHBondContact O-CB 3.23Å; L46-L49 PolarHBondContact O-N 3.47Å; L49-R51 WeakPolarHBondContact CD1-O 3.25Å; L49-W52 HydrophobicContact CD2-CB 4.06Å; L49-W52 HydrophobicContact CD2-CD2 4.15Å; L49-W52 HydrophobicContact CD2-CE3 4.22Å; L49-W52 HydrophobicContact CD2-CG 4.11Å; L49-L68 HydrophobicContact CB-CD2 4.49Å; L49-L68 HydrophobicContact CD2-CD1 4.28Å; L49-L68 HydrophobicContact CD2-CD2 4.18Å; L49-A70 CarbonylContact O-C 3.57Å; L49-L71 HydrophobicContact CD2-CD1 4.14Å; L49-L71 HydrophobicContact CG-CD1 4.02Å; L49-L71 WeakPolarHBondContact O-CA 3.48Å; L49-L71 PolarHBondContact O-N 2.82Å
50E97.8Very high93.2Very high70 Ų7050.4 Ų50.433%0.32725%0.245SC..  trans-93.7-32.9179.8-71161.5-161.900112.5K24 S48 R72 Y73K24-E50 IonicContact NZ-OE1 3.67Å; K24-E50 PolarHBondContact NZ-OE1 3.49Å; K24-E50 IonicContact NZ-OE2 3.32Å; K24-E50 WeakPolarHBondContact O-CA 3.41Å; K24-E50 PolarHBondContact O-N 2.86Å; S48-E50 PolarHBondContact O-N 3.44Å; E50-R72 PolarHBondContact O-N 3.4Å; E50-Y73 PolarHBondContact O-N 2.61Å
51R98Very high93.2Very high140 Ų14050.9 Ų50.953%0.52824%0.244SC..EExtended strand (participates in β ladder)trans-135.7132-179.5-45.6-168.2173.8-129.4-1.3112.8K24 T25 L26 L49 Y73K24-R51 PolarHBondContact O-N 2.82Å; T25-R51 WeakPolarHBondContact CA-O 3.39Å; T25-R51 HydrophobicContact CG2-CB 4.05Å; T25-R51 HydrophobicContact CG2-CG 4.14Å; L26-R51 PolarHBondContact N-O 3.24Å; L49-R51 WeakPolarHBondContact CD1-O 3.25Å; R51-Y73 WeakPolarHBondContact CA-O 3.39Å; R51-Y73 HydrophobicContact CB-CD1 4.09Å; R51-Y73 HydrophobicContact CB-CG 4.36Å; R51-Y73 HydrophobicContact CG-CG 4.47Å
52W97.9Very high93.3Very high1 Ų141.5 Ų41.50%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-130.4128.6175.7-163.64.2000111.4L26 L28 L43 L49 L54 F62 L66 L68 L71 Y73 L74 D75L26-W52 WeakPolarHBondContact O-CA 3.41Å; L28-W52 HydrophobicContact CD1-CZ2 4.31Å; L43-W52 HydrophobicContact CD1-CH2 4.07Å; L43-W52 HydrophobicContact CD1-CZ2 4.48Å; L43-W52 HydrophobicContact CD2-CH2 4.21Å; L43-W52 HydrophobicContact CD2-CZ2 4.08Å; L49-W52 HydrophobicContact CD2-CB 4.06Å; L49-W52 HydrophobicContact CD2-CD2 4.15Å; L49-W52 HydrophobicContact CD2-CE3 4.22Å; L49-W52 HydrophobicContact CD2-CG 4.11Å; W52-L54 HydrophobicContact CD2-CD1 3.94Å; W52-L54 HydrophobicContact CD2-CG 4.14Å; W52-L54 HydrophobicContact CE3-CD1 4.19Å; W52-L54 HydrophobicContact CG-CG 4.38Å; W52-L54 HydrophobicContact CH2-CD1 3.95Å; W52-L54 HydrophobicContact CZ2-CD1 3.7Å; W52-L54 HydrophobicContact CZ2-CD2 3.89Å; W52-L54 HydrophobicContact CZ2-CG 4.01Å; W52-L54 HydrophobicContact CZ3-CD1 4.19Å; W52-F62 HydrophobicContact CE3-CZ 4.33Å; W52-F62 HydrophobicContact CH2-CZ 4.49Å; W52-F62 HydrophobicContact CZ3-CE2 4.04Å; W52-F62 AromaticContact CZ3-CZ 3.7Å; W52-F62 HydrophobicContact CZ3-CZ 3.7Å; W52-L66 HydrophobicContact CH2-CD2 3.86Å; W52-L66 HydrophobicContact CZ3-CD2 3.71Å; W52-L68 HydrophobicContact CE3-CD1 3.66Å; W52-L68 HydrophobicContact CZ3-CD1 3.51Å; W52-L71 HydrophobicContact CB-CD1 3.89Å; W52-Y73 PolarHBondContact N-O 2.78Å; W52-L74 HydrophobicContact CB-CD1 4.08Å; W52-L74 HydrophobicContact CE3-CD1 4.35Å; W52-L74 HydrophobicContact CG-CD1 4.42Å; W52-L74 WeakPolarHBondContact O-CA 3.25Å; W52-D75 PolarHBondContact O-N 2.88Å
53D97Very high93.3Very high32 Ų3239.9 Ų39.917%0.17120%0.195CC..EExtended strand (participates in β ladder)trans-107.6118.6170179.66000109.8L26 N27 L28 S55 D75L26-D53 PolarHBondContact O-N 2.87Å; N27-D53 HydrophobicContact CB-CB 4.45Å; N27-D53 PolarHBondContact ND2-OD2 3.2Å; L28-D53 PolarHBondContact N-O 3.38Å; D53-S55 WeakPolarHBondContact OD1-CB 3.31Å; D53-S55 PolarHBondContact OD1-N 3.25Å; D53-S55 PolarHBondContact OD1-OG 3.38Å; D53-D75 HydrophobicContact CB-CB 4.48Å
54L96.5Very high93.1Very high0 Ų045.1 Ų45.10%022%0.215CC..  trans-120.318175.2-78.4169.3000111.1L28 L33 L38 W52 N57 L59 F62 L74 D75 L76 N79L28-L54 HydrophobicContact CB-CD2 4.03Å; L28-L54 HydrophobicContact CD1-CD2 4.38Å; L33-L54 HydrophobicContact CD1-CD2 4.34Å; L38-L54 HydrophobicContact CD2-CD2 4.26Å; W52-L54 HydrophobicContact CD2-CD1 3.94Å; W52-L54 HydrophobicContact CD2-CG 4.14Å; W52-L54 HydrophobicContact CE3-CD1 4.19Å; W52-L54 HydrophobicContact CG-CG 4.38Å; W52-L54 HydrophobicContact CH2-CD1 3.95Å; W52-L54 HydrophobicContact CZ2-CD1 3.7Å; W52-L54 HydrophobicContact CZ2-CD2 3.89Å; W52-L54 HydrophobicContact CZ2-CG 4.01Å; W52-L54 HydrophobicContact CZ3-CD1 4.19Å; L54-N57 PolarHBondContact O-ND2 3.21Å; L54-L59 HydrophobicContact CB-CD1 4.24Å; L54-L59 HydrophobicContact CD1-CD1 4.06Å; L54-L59 HydrophobicContact CD2-CD1 4.43Å; L54-F62 HydrophobicContact CD1-CE2 4.07Å; L54-L74 HydrophobicContact CD1-CD1 4.26Å; L54-D75 CarbonylContact C-O 3.5Å; L54-D75 WeakPolarHBondContact CA-O 3.18Å; L54-D75 WeakPolarHBondContact CB-O 3.34Å; L54-D75 PolarHBondContact N-O 3.2Å; L54-L76 HydrophobicContact CB-CD2 3.88Å; L54-L76 HydrophobicContact CD1-CD2 3.84Å; L54-N79 PolarHBondContact O-ND2 2.93Å
55S91.5Very high92.8Very high22 Ų2253.6 Ų53.615%0.15424%0.243CC..THydrogen-bonded Turntrans-67.8151.4-172.563.40000113.8S29 K30 D53 N57 D75 S77S29-S55 CarbonylContact C-O 3.53Å; S29-S55 WeakPolarHBondContact CA-O 3.43Å; S29-S55 VanDerWaalsContact CB-O 3.25Å; S29-S55 WeakPolarHBondContact CB-O 3.12Å; S29-S55 WeakPolarHBondContact CB-OG 3.34Å; K30-S55 PolarHBondContact N-O 3.1Å; D53-S55 WeakPolarHBondContact OD1-CB 3.31Å; D53-S55 PolarHBondContact OD1-N 3.25Å; D53-S55 PolarHBondContact OD1-OG 3.38Å; S55-N57 PolarHBondContact O-N 3.43Å; S55-D75 PolarHBondContact N-O 3.44Å; S55-S77 CarbonylContact C-O 3.54Å; S55-S77 WeakPolarHBondContact CA-O 3.4Å; S55-S77 WeakPolarHBondContact CB-O 3.36Å
56G84.6Confident92.7Very high20 Ų2051.4 Ų51.421%0.20623%0.228CC..THydrogen-bonded Turntrans69.228.417800000114.9K30 S77 D78K30-G56 WeakPolarHBondContact CA-O 3.41Å; G56-S77 PolarHBondContact N-O 2.86Å; G56-D78 CarbonylContact C-O 3.57Å; G56-D78 VanDerWaalsContact CA-O 3.26Å; G56-D78 WeakPolarHBondContact CA-O 3.46Å; G56-D78 PolarHBondContact N-O 3.36Å
57N91.8Very high92.4Very high7 Ų757.9 Ų57.94%0.03726%0.258CS..SBendtrans-105.5-161.7178.4-77-60.1000111.2L28 M31 A32 L33 L54 S55 L59 N79L28-N57 PolarHBondContact O-ND2 2.93Å; M31-N57 WeakPolarHBondContact CA-OD1 3.41Å; M31-N57 PolarHBondContact N-OD1 3.26Å; A32-N57 PolarHBondContact N-OD1 2.94Å; L33-N57 HydrophobicContact CB-CB 4.29Å; L33-N57 PolarHBondContact N-OD1 2.97Å; L54-N57 PolarHBondContact O-ND2 3.21Å; S55-N57 PolarHBondContact O-N 3.43Å; N57-L59 HydrophobicContact CB-CG 4.36Å; N57-N79 WeakPolarHBondContact CA-OD1 3.49Å; N57-N79 WeakPolarHBondContact CB-OD1 3.49Å; N57-N79 PolarHBondContact O-OD1 3.3Å
58R88.5Confident92.5Very high147 Ų14752.9 Ų52.956%0.55524%0.237SC*.  trans-126.334-176.3-58.5-178.8-179-171.10.7111.5L33 N79L33-R58 CarbonylContact O-C 3.36Å; L33-R58 WeakPolarHBondContact O-CA 3.28Å; L33-R58 PolarHBondContact O-N 3.45Å; R58-N79 PolarHBondContact N-OD1 3.04Å
59L90.9Very high92.4Very high0 Ų054.6 Ų54.60%025%0.246CC..  trans-74.1132.1178.9-55.6176.9000110.6K34 L38 L54 N57 L76 N79 Q80 M81K34-L59 VanDerWaalsContact C-CD2 3.42Å; L38-L59 HydrophobicContact CD1-CD1 4.04Å; L38-L59 HydrophobicContact CD1-CD2 3.66Å; L38-L59 HydrophobicContact CG-CD2 4.17Å; L54-L59 HydrophobicContact CB-CD1 4.24Å; L54-L59 HydrophobicContact CD1-CD1 4.06Å; L54-L59 HydrophobicContact CD2-CD1 4.43Å; N57-L59 HydrophobicContact CB-CG 4.36Å; L59-L76 HydrophobicContact CD1-CD2 3.65Å; L59-N79 HydrophobicContact CB-CB 4.37Å; L59-N79 WeakPolarHBondContact CB-OD1 3.41Å; L59-N79 WeakPolarHBondContact CG-OD1 3.32Å; L59-N79 PolarHBondContact N-OD1 3.09Å; L59-Q80 CarbonylContact O-C 3.54Å; L59-Q80 VanDerWaalsContact O-CA 3.27Å; L59-Q80 WeakPolarHBondContact O-CA 3.47Å; L59-Q80 PolarHBondContact O-N 3.2Å; L59-M81 HydrophobicContact CB-SD 3.95Å; L59-M81 PolarHBondContact O-N 3.39Å; L59-M81 VanDerWaalsContact O-N 3.13Å
60Q88.6Confident92.3Very high100 Ų10055.7 Ų55.747%0.46726%0.255SS..SBendtrans-110.1-25.9175.7-69.7173.4-6.300112Q80 E82 D83Q60-Q80 HydrophobicContact CG-CB 3.79Å; Q60-E82 PolarHBondContact O-N 2.84Å; Q60-D83 PolarHBondContact O-N 2.67Å
61E91.5Very high92.3Very high57 Ų5752.4 Ų52.427%0.26624%0.24SC..BIsolated β-bridgetrans-142.2166.716674.5178.7141.400109.2L35 R64 D83 T86L35-E61 HydrophobicContact CD1-CG 4.04Å; L35-E61 HydrophobicContact CD2-CG 3.7Å; L35-E61 WeakPolarHBondContact CD2-OE1 3.23Å; L35-E61 HydrophobicContact CG-CG 4.39Å; E61-R64 IonicContact OE2-CZ 3.77Å; E61-R64 IonicContact OE2-NE 2.71Å; E61-R64 PolarHBondContact OE2-NE 2.98Å; E61-R64 VanDerWaalsContact OE2-NE 3.11Å; E61-R64 IonicContact OE2-NH2 2.71Å; E61-R64 PolarHBondContact OE2-NH2 3.32Å; E61-D83 HydrophobicContact CB-CB 4.3Å; E61-T86 HydrophobicContact CB-CG2 3.75Å; E61-T86 HydrophobicContact CG-CG2 4.17Å; E61-T86 WeakPolarHBondContact OE2-CG2 3.32Å
62F93.4Very high92.3Very high0 Ų050.7 Ų50.70%023%0.234CC..  trans-94.4155.8176.9-165.8-101.6000110.9W52 L54 R64 L66 L74 L76 M81 T86 L87 L90W52-F62 HydrophobicContact CE3-CZ 4.33Å; W52-F62 HydrophobicContact CH2-CZ 4.49Å; W52-F62 HydrophobicContact CZ3-CE2 4.04Å; W52-F62 AromaticContact CZ3-CZ 3.7Å; W52-F62 HydrophobicContact CZ3-CZ 3.7Å; L54-F62 HydrophobicContact CD1-CE2 4.07Å; F62-R64 PolarHBondContact O-N 2.79Å; F62-L66 HydrophobicContact CE1-CB 4.34Å; F62-L66 HydrophobicContact CE1-CD2 3.94Å; F62-L66 HydrophobicContact CE1-CG 4.45Å; F62-L66 HydrophobicContact CZ-CD2 3.97Å; F62-L74 HydrophobicContact CE2-CD2 4.04Å; F62-L74 HydrophobicContact CZ-CD2 4.33Å; F62-L76 HydrophobicContact CD2-CD1 4.18Å; F62-L76 HydrophobicContact CD2-CD2 4.35Å; F62-M81 HydrophobicContact CB-CE 4.21Å; F62-T86 WeakPolarHBondContact CB-OG1 3.41Å; F62-T86 PolarHBondContact N-OG1 3.05Å; F62-T86 VanDerWaalsContact O-CB 3.28Å; F62-T86 WeakPolarHBondContact O-CB 3.38Å; F62-L87 HydrophobicContact CB-CD2 3.75Å; F62-L87 HydrophobicContact CB-CG 4.05Å; F62-L87 HydrophobicContact CD1-CD2 3.75Å; F62-L87 HydrophobicContact CD2-CD2 3.77Å; F62-L87 HydrophobicContact CE1-CD2 4.25Å; F62-L87 HydrophobicContact CE2-CD2 4.26Å; F62-L87 HydrophobicContact CG-CD2 3.48Å; F62-L87 VanDerWaalsContact CG-CD2 3.48Å; F62-L87 HydrophobicContact CG-CG 4.29Å; F62-L87 HydrophobicContact CZ-CD2 4.47Å; F62-L90 HydrophobicContact CD1-CD1 4.44Å; F62-L90 HydrophobicContact CE1-CD1 3.75Å; F62-L90 HydrophobicContact CE1-CD2 4.03Å; F62-L90 HydrophobicContact CE1-CG 4.05Å; F62-L90 HydrophobicContact CZ-CD1 3.8Å; F62-L90 HydrophobicContact CZ-CD2 4.37Å; F62-L90 HydrophobicContact CZ-CG 4.48Å
63P92.1Very high92.3Very high4 Ų452.2 Ų52.23%0.02624%0.24CC..  trans-66.4108.9179.4-19.432000112.6L35 L38 V40 L66L35-P63 HydrophobicContact CD1-CB 4.33Å; L35-P63 HydrophobicContact CD1-CG 4.01Å; L38-P63 HydrophobicContact CB-CG 3.55Å; L38-P63 HydrophobicContact CD1-CG 3.57Å; L38-P63 HydrophobicContact CG-CG 4.22Å; V40-P63 HydrophobicContact CG2-CB 3.56Å; P63-L66 HydrophobicContact CB-CB 4.27Å; P63-L66 HydrophobicContact CB-CD2 4.2Å; P63-L66 HydrophobicContact CG-CD2 4.19Å; P63-L66 VanDerWaalsContact O-CB 3.28Å; P63-L66 WeakPolarHBondContact O-CB 3.47Å; P63-L66 PolarHBondContact O-N 3.03Å
64R89.4Confident92.3Very high110 Ų11050.7 Ų50.742%0.41523%0.232SC..THydrogen-bonded Turntrans-60.7137.4176.9-58179.7-166-112.9-6.4110.7E61 F62 D83 T86E61-R64 IonicContact OE2-CZ 3.77Å; E61-R64 IonicContact OE2-NE 2.71Å; E61-R64 PolarHBondContact OE2-NE 2.98Å; E61-R64 VanDerWaalsContact OE2-NE 3.11Å; E61-R64 IonicContact OE2-NH2 2.71Å; E61-R64 PolarHBondContact OE2-NH2 3.32Å; F62-R64 PolarHBondContact O-N 2.79Å; R64-D83 IonicContact CZ-OD2 2.75Å; R64-D83 IonicContact NH1-OD2 3.51Å; R64-D83 IonicContact NH2-OD2 3.2Å; R64-D83 PolarHBondContact NH2-OD2 3.11Å; R64-T86 HydrophobicContact CG-CG2 3.69Å
65R86.5Confident92.3Very high205 Ų20551.6 Ų51.677%0.77424%0.237SC*.THydrogen-bonded Turntrans63.632.5-175.6-54.7172.4-71.5-159.2-4.7114.4V40V40-R65 WeakPolarHBondContact CG1-O 3.41Å
66L90.1Very high92.5Very high0 Ų050.6 Ų50.60%023%0.229CC..  trans-83.5120.4167.8176.749.1000110.3L43 W52 F62 P63 L68 S89L43-L66 HydrophobicContact CB-CD1 3.52Å; L43-L66 HydrophobicContact CB-CD2 4.15Å; L43-L66 HydrophobicContact CD1-CD2 4.3Å; W52-L66 HydrophobicContact CH2-CD2 3.86Å; W52-L66 HydrophobicContact CZ3-CD2 3.71Å; F62-L66 HydrophobicContact CE1-CB 4.34Å; F62-L66 HydrophobicContact CE1-CD2 3.94Å; F62-L66 HydrophobicContact CE1-CG 4.45Å; F62-L66 HydrophobicContact CZ-CD2 3.97Å; P63-L66 HydrophobicContact CB-CB 4.27Å; P63-L66 HydrophobicContact CB-CD2 4.2Å; P63-L66 HydrophobicContact CG-CD2 4.19Å; P63-L66 VanDerWaalsContact O-CB 3.28Å; P63-L66 WeakPolarHBondContact O-CB 3.47Å; P63-L66 PolarHBondContact O-N 3.03Å; L66-L68 HydrophobicContact CD1-CD1 4.33Å; L66-L68 HydrophobicContact CD1-CD2 4.44Å; L66-L68 HydrophobicContact CD1-CG 4.11Å; L66-L68 HydrophobicContact CD2-CD1 4.03Å; L66-L68 HydrophobicContact CG-CD1 3.92Å; L66-L68 HydrophobicContact CG-CG 4.03Å; L66-S89 WeakPolarHBondContact O-CB 3.25Å; L66-S89 PolarHBondContact O-OG 2.84Å
67E88.8Confident92.7Very high137 Ų13750 Ų5064%0.6422%0.222SC*.  trans-99.3103.9-173.6-69.5175.5-169.900110.7S44S44-E67 PolarHBondContact OG-N 3.12Å
68L94.3Very high92.4Very high5 Ų552 Ų523%0.02623%0.233CC..  trans-129.374.7179.2-64.3172.7000109.8L43 L46 L49 W52 L66 A70 L71 L90L43-L68 WeakPolarHBondContact O-CD2 3.27Å; L46-L68 HydrophobicContact CB-CD2 3.84Å; L49-L68 HydrophobicContact CB-CD2 4.49Å; L49-L68 HydrophobicContact CD2-CD1 4.28Å; L49-L68 HydrophobicContact CD2-CD2 4.18Å; W52-L68 HydrophobicContact CE3-CD1 3.66Å; W52-L68 HydrophobicContact CZ3-CD1 3.51Å; L66-L68 HydrophobicContact CD1-CD1 4.33Å; L66-L68 HydrophobicContact CD1-CD2 4.44Å; L66-L68 HydrophobicContact CD1-CG 4.11Å; L66-L68 HydrophobicContact CD2-CD1 4.03Å; L66-L68 HydrophobicContact CG-CD1 3.92Å; L66-L68 HydrophobicContact CG-CG 4.03Å; L68-A70 PolarHBondContact O-N 3.32Å; L68-L71 HydrophobicContact CB-CB 3.94Å; L68-L71 HydrophobicContact CB-CD2 4.41Å; L68-L71 HydrophobicContact CD1-CD2 4.09Å; L68-L71 WeakPolarHBondContact O-CB 3.47Å; L68-L71 PolarHBondContact O-N 2.77Å; L68-L71 VanDerWaalsContact O-N 3.14Å; L68-L90 HydrophobicContact CB-CD2 4.31Å; L68-L90 HydrophobicContact CD1-CD2 4.44Å
69P92.8Very high92.4Very high89 Ų8945.2 Ų45.258%0.57821%0.208SC*.THydrogen-bonded Turntrans-67.8-20.6-166.827.1-35.6000114.2A92P69-A92 WeakPolarHBondContact O-CB 3.29Å
70A95.6Very high92.2Very high23 Ų2349 Ų4919%0.1923%0.225CC..THydrogen-bonded Turntrans-89.4-9177.100000114.3K47 L49 L68 R72K47-A70 WeakPolarHBondContact O-CB 3.14Å; L49-A70 CarbonylContact O-C 3.57Å; L68-A70 PolarHBondContact O-N 3.32Å; A70-R72 WeakPolarHBondContact O-CG 3.42Å; A70-R72 PolarHBondContact O-N 3.09Å
71L97.6Very high92.2Very high1 Ų144.2 Ų44.21%0.00520%0.203CC..  trans-71.2116.6-165.3-169.873.8000112.2L49 W52 L68 Y73 L74 L90 A92 L93L49-L71 HydrophobicContact CD2-CD1 4.14Å; L49-L71 HydrophobicContact CG-CD1 4.02Å; L49-L71 WeakPolarHBondContact O-CA 3.48Å; L49-L71 PolarHBondContact O-N 2.82Å; W52-L71 HydrophobicContact CB-CD1 3.89Å; L68-L71 HydrophobicContact CB-CB 3.94Å; L68-L71 HydrophobicContact CB-CD2 4.41Å; L68-L71 HydrophobicContact CD1-CD2 4.09Å; L68-L71 WeakPolarHBondContact O-CB 3.47Å; L68-L71 PolarHBondContact O-N 2.77Å; L68-L71 VanDerWaalsContact O-N 3.14Å; L71-Y73 WeakPolarHBondContact CD1-O 3.19Å; L71-L74 HydrophobicContact CD2-CB 4.39Å; L71-L90 HydrophobicContact CD2-CD1 4.09Å; L71-L90 HydrophobicContact CD2-CD2 4.03Å; L71-A92 CarbonylContact O-C 3.55Å; L71-A92 VanDerWaalsContact O-C 3.28Å; L71-L93 HydrophobicContact CD2-CD1 4.06Å; L71-L93 HydrophobicContact CG-CD1 3.94Å; L71-L93 WeakPolarHBondContact O-CA 3.5Å; L71-L93 PolarHBondContact O-N 2.96Å
72R97.9Very high91.9Very high105 Ų10545.5 Ų45.540%0.39621%0.209SC..  trans-108.1-32.2179.8-53.3-48.2179.1155.61.8113.1E50 A70 A92 L93 E94 E95E50-R72 PolarHBondContact O-N 3.4Å; A70-R72 WeakPolarHBondContact O-CG 3.42Å; A70-R72 PolarHBondContact O-N 3.09Å; R72-A92 VanDerWaalsContact CD-O 3.24Å; R72-A92 WeakPolarHBondContact CD-O 3.41Å; R72-A92 PolarHBondContact NH1-O 3.22Å; R72-L93 WeakPolarHBondContact O-CD1 3.43Å; R72-E94 WeakPolarHBondContact CD-OE1 3.49Å; R72-E94 IonicContact CZ-OE1 2.74Å; R72-E94 IonicContact NE-OE1 3.87Å; R72-E94 IonicContact NH1-OE1 3.03Å; R72-E94 PolarHBondContact NH1-OE1 3.38Å; R72-E94 PolarHBondContact O-N 3.08Å; R72-E95 PolarHBondContact O-N 2.79Å
73Y98.1Very high91.6Very high33 Ų3347.7 Ų47.713%0.12922%0.221CC..EExtended strand (participates in β ladder)trans-120.8129.3-179.5178.8-82.6000111.2E50 R51 W52 L71 D75 E95 K97E50-Y73 PolarHBondContact O-N 2.61Å; R51-Y73 WeakPolarHBondContact CA-O 3.39Å; R51-Y73 HydrophobicContact CB-CD1 4.09Å; R51-Y73 HydrophobicContact CB-CG 4.36Å; R51-Y73 HydrophobicContact CG-CG 4.47Å; W52-Y73 PolarHBondContact N-O 2.78Å; L71-Y73 WeakPolarHBondContact CD1-O 3.19Å; Y73-D75 HydrophobicContact CE1-CB 3.82Å; Y73-D75 PolarHBondContact OH-OD2 3.05Å; Y73-E95 WeakPolarHBondContact CA-O 3.39Å; Y73-E95 HydrophobicContact CD2-CB 4.01Å; Y73-E95 VanDerWaalsContact CD2-CD 3.47Å; Y73-E95 HydrophobicContact CD2-CG 3.81Å; Y73-E95 WeakPolarHBondContact CD2-OE2 3.48Å; Y73-E95 HydrophobicContact CE2-CG 3.97Å; Y73-E95 WeakPolarHBondContact CE2-OE1 3.35Å; Y73-K97 PolarHBondContact OH-NZ 2.97Å
74L98Very high91.6Very high0 Ų047.5 Ų47.50%022%0.219CC..EExtended strand (participates in β ladder)trans-134.5125.6172.8177.758.4000110.8W52 L54 F62 L71 L76 L87 L90 L93 E95 L96 K97W52-L74 HydrophobicContact CB-CD1 4.08Å; W52-L74 HydrophobicContact CE3-CD1 4.35Å; W52-L74 HydrophobicContact CG-CD1 4.42Å; W52-L74 WeakPolarHBondContact O-CA 3.25Å; L54-L74 HydrophobicContact CD1-CD1 4.26Å; F62-L74 HydrophobicContact CE2-CD2 4.04Å; F62-L74 HydrophobicContact CZ-CD2 4.33Å; L71-L74 HydrophobicContact CD2-CB 4.39Å; L74-L76 HydrophobicContact CD1-CG 4.18Å; L74-L76 HydrophobicContact CD2-CD1 3.79Å; L74-L76 HydrophobicContact CD2-CG 4.16Å; L74-L76 HydrophobicContact CG-CD1 4.16Å; L74-L76 HydrophobicContact CG-CG 4.01Å; L74-L87 HydrophobicContact CD2-CD2 3.96Å; L74-L90 HydrophobicContact CD2-CD1 3.49Å; L74-L90 VanDerWaalsContact CD2-CD1 3.49Å; L74-L93 HydrophobicContact CB-CD1 3.69Å; L74-L93 HydrophobicContact CB-CD2 4.06Å; L74-L93 HydrophobicContact CD2-CD2 4.45Å; L74-E95 PolarHBondContact N-O 2.65Å; L74-L96 HydrophobicContact CB-CD1 4.12Å; L74-L96 HydrophobicContact CD2-CD1 4.1Å; L74-L96 HydrophobicContact CG-CD1 4.06Å; L74-L96 WeakPolarHBondContact O-CA 3.31Å; L74-K97 PolarHBondContact O-N 3.04Å
75D96.9Very high91.7Very high19 Ų1943.6 Ų43.610%0.10221%0.208CC..EExtended strand (participates in β ladder)trans-108110.9170.8-148.4-40.6000110.5W52 D53 L54 S55 Y73 S77 K97W52-D75 PolarHBondContact O-N 2.88Å; D53-D75 HydrophobicContact CB-CB 4.48Å; L54-D75 CarbonylContact C-O 3.5Å; L54-D75 WeakPolarHBondContact CA-O 3.18Å; L54-D75 WeakPolarHBondContact CB-O 3.34Å; L54-D75 PolarHBondContact N-O 3.2Å; S55-D75 PolarHBondContact N-O 3.44Å; Y73-D75 HydrophobicContact CE1-CB 3.82Å; Y73-D75 PolarHBondContact OH-OD2 3.05Å; D75-S77 WeakPolarHBondContact OD1-CB 3.39Å; D75-S77 PolarHBondContact OD1-N 2.97Å; D75-S77 PolarHBondContact OD1-OG 3.34Å; D75-K97 WeakPolarHBondContact OD2-CD 3.12Å
76L95.8Very high92Very high0 Ų033.9 Ų33.90%017%0.171CC..  trans-110.216.9173-77.2168.4000111L54 L59 F62 L74 N79 M81 L87 L96 K97 M98 N101L54-L76 HydrophobicContact CB-CD2 3.88Å; L54-L76 HydrophobicContact CD1-CD2 3.84Å; L59-L76 HydrophobicContact CD1-CD2 3.65Å; F62-L76 HydrophobicContact CD2-CD1 4.18Å; F62-L76 HydrophobicContact CD2-CD2 4.35Å; L74-L76 HydrophobicContact CD1-CG 4.18Å; L74-L76 HydrophobicContact CD2-CD1 3.79Å; L74-L76 HydrophobicContact CD2-CG 4.16Å; L74-L76 HydrophobicContact CG-CD1 4.16Å; L74-L76 HydrophobicContact CG-CG 4.01Å; L76-N79 WeakPolarHBondContact O-CB 3.4Å; L76-N79 PolarHBondContact O-ND2 2.91Å; L76-M81 HydrophobicContact CD1-CE 4.37Å; L76-L87 HydrophobicContact CD1-CD1 4.33Å; L76-L87 HydrophobicContact CD1-CD2 3.97Å; L76-L96 HydrophobicContact CD1-CD1 4.43Å; L76-K97 WeakPolarHBondContact CA-O 3.44Å; L76-K97 PolarHBondContact N-O 2.89Å; L76-M98 HydrophobicContact CB-SD 3.6Å; L76-M98 HydrophobicContact CD1-SD 3.69Å; L76-M98 HydrophobicContact CG-SD 4.3Å; L76-N101 PolarHBondContact O-ND2 3.33Å
77S88.8Confident92.2Very high8 Ų833.9 Ų33.96%0.05617%0.171CC..  trans-61.9151.5-174-52.10000112.9S55 G56 D75 N79 K97 D99S55-S77 CarbonylContact C-O 3.54Å; S55-S77 WeakPolarHBondContact CA-O 3.4Å; S55-S77 WeakPolarHBondContact CB-O 3.36Å; G56-S77 PolarHBondContact N-O 2.86Å; D75-S77 WeakPolarHBondContact OD1-CB 3.39Å; D75-S77 PolarHBondContact OD1-N 2.97Å; D75-S77 PolarHBondContact OD1-OG 3.34Å; S77-N79 VanDerWaalsContact C-N 3.3Å; S77-N79 PolarHBondContact O-N 2.88Å; S77-N79 PolarHBondContact O-ND2 2.97Å; S77-K97 WeakPolarHBondContact OG-CB 3.45Å; S77-D99 CarbonylContact C-O 3.58Å; S77-D99 WeakPolarHBondContact CA-O 3.44Å; S77-D99 WeakPolarHBondContact CB-O 3.27Å
78D84.4Confident92.3Very high48 Ų4832 Ų3226%0.25716%0.162SC..SBendtrans56.642.9177.8-151.935.9000112.7G56 D99 D100 R470G56-D78 CarbonylContact C-O 3.57Å; G56-D78 VanDerWaalsContact CA-O 3.26Å; G56-D78 WeakPolarHBondContact CA-O 3.46Å; G56-D78 PolarHBondContact N-O 3.36Å; D78-D99 PolarHBondContact N-O 2.76Å; D78-D100 VanDerWaalsContact CA-CB 3.49Å; D78-D100 HydrophobicContact CB-CB 3.8Å; D78-R470 IonicContact OD1-CZ 2.68Å; D78-R470 VanDerWaalsContact OD1-CZ 3.3Å; D78-R470 IonicContact OD1-NH1 3.87Å; D78-R470 PolarHBondContact OD1-NH1 3.29Å; D78-R470 VanDerWaalsContact OD1-NH1 3.08Å; D78-R470 IonicContact OD1-NH2 2.58Å; D78-R470 PolarHBondContact OD1-NH2 3.27Å
79N89.4Confident92.1Very high6 Ų633.7 Ų33.73%0.03218%0.175CC..SBendtrans-111.8-166.7169.4-83.2-88.3000110.4L54 N57 R58 L59 L76 S77 M81 N101L54-N79 PolarHBondContact O-ND2 2.93Å; N57-N79 WeakPolarHBondContact CA-OD1 3.49Å; N57-N79 WeakPolarHBondContact CB-OD1 3.49Å; N57-N79 PolarHBondContact O-OD1 3.3Å; R58-N79 PolarHBondContact N-OD1 3.04Å; L59-N79 HydrophobicContact CB-CB 4.37Å; L59-N79 WeakPolarHBondContact CB-OD1 3.41Å; L59-N79 WeakPolarHBondContact CG-OD1 3.32Å; L59-N79 PolarHBondContact N-OD1 3.09Å; L76-N79 WeakPolarHBondContact O-CB 3.4Å; L76-N79 PolarHBondContact O-ND2 2.91Å; S77-N79 VanDerWaalsContact C-N 3.3Å; S77-N79 PolarHBondContact O-N 2.88Å; S77-N79 PolarHBondContact O-ND2 2.97Å; N79-M81 HydrophobicContact CB-CG 4.26Å; N79-N101 WeakPolarHBondContact CA-OD1 3.13Å; N79-N101 WeakPolarHBondContact CB-OD1 3.42Å; N79-N101 PolarHBondContact O-OD1 3.34Å
80Q87.1Confident92.2Very high78 Ų7829.6 Ų29.636%0.36415%0.148SC..  trans-116.726.1-178.4-59.1-175.5-3.800112.2L59 Q60 E82 N101L59-Q80 CarbonylContact O-C 3.54Å; L59-Q80 VanDerWaalsContact O-CA 3.27Å; L59-Q80 WeakPolarHBondContact O-CA 3.47Å; L59-Q80 PolarHBondContact O-N 3.2Å; Q60-Q80 HydrophobicContact CG-CB 3.79Å; Q80-E82 WeakPolarHBondContact O-CG 3.44Å; Q80-E82 PolarHBondContact O-N 3.47Å; Q80-N101 PolarHBondContact N-OD1 2.79Å
81M88.6Confident91.9Very high0 Ų036.7 Ų36.70%017%0.17CC..  trans-57.7124.9-168.2-68-70.1-65.100113L59 F62 L76 N79 L87 M98 N101 I104L59-M81 HydrophobicContact CB-SD 3.95Å; L59-M81 PolarHBondContact O-N 3.39Å; L59-M81 VanDerWaalsContact O-N 3.13Å; F62-M81 HydrophobicContact CB-CE 4.21Å; L76-M81 HydrophobicContact CD1-CE 4.37Å; N79-M81 HydrophobicContact CB-CG 4.26Å; M81-L87 HydrophobicContact CE-CD1 4.45Å; M81-M98 HydrophobicContact CB-CE 3.64Å; M81-M98 HydrophobicContact CE-CE 4.35Å; M81-M98 HydrophobicContact CG-CE 3.87Å; M81-M98 HydrophobicContact CG-SD 4.38Å; M81-N101 HydrophobicContact CB-CB 4.29Å; M81-N101 VanDerWaalsContact CB-OD1 3.27Å; M81-N101 WeakPolarHBondContact CB-OD1 3.24Å; M81-N101 VanDerWaalsContact CG-OD1 3.23Å; M81-N101 WeakPolarHBondContact CG-OD1 3.25Å; M81-N101 PolarHBondContact N-OD1 3.4Å; M81-I104 HydrophobicContact CB-CD1 4.08Å; M81-I104 VanDerWaalsContact O-CD1 3.26Å; M81-I104 WeakPolarHBondContact O-CD1 3.36Å
82E84.6Confident91.8Very high85 Ų8537.5 Ų37.540%0.39718%0.176SC..  trans-112.1-47.2177.8-52.5-162.6-172.100111.8Q60 Q80 Y103Q60-E82 PolarHBondContact O-N 2.84Å; Q80-E82 WeakPolarHBondContact O-CG 3.44Å; Q80-E82 PolarHBondContact O-N 3.47Å; E82-Y103 HydrophobicContact CG-CD2 3.77Å; E82-Y103 HydrophobicContact CG-CG 3.87Å
83D86.5Confident91.8Very high46 Ų4632.5 Ų32.525%0.24616%0.157CC..BIsolated β-bridgetrans-102.697.7-179.9-173.46.8000113.2Q60 E61 R64 T85 T86Q60-D83 PolarHBondContact O-N 2.67Å; E61-D83 HydrophobicContact CB-CB 4.3Å; R64-D83 IonicContact CZ-OD2 2.75Å; R64-D83 IonicContact NH1-OD2 3.51Å; R64-D83 IonicContact NH2-OD2 3.2Å; R64-D83 PolarHBondContact NH2-OD2 3.11Å; D83-T85 VanDerWaalsContact C-N 3.28Å; D83-T85 VanDerWaalsContact CG-OG1 3.24Å; D83-T85 PolarHBondContact O-N 3Å; D83-T85 WeakPolarHBondContact OD1-CA 3.43Å; D83-T85 VanDerWaalsContact OD1-CB 3.28Å; D83-T85 WeakPolarHBondContact OD1-CB 3.21Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.47Å; D83-T85 PolarHBondContact OD1-N 3.48Å; D83-T85 PolarHBondContact OD1-OG1 3.06Å; D83-T85 PolarHBondContact OD2-OG1 2.94Å; D83-T85 VanDerWaalsContact OD2-OG1 3.08Å; D83-T86 HydrophobicContact CB-CG2 4.43Å; D83-T86 PolarHBondContact O-OG1 3.21Å
84V92.9Very high91.7Very high0 Ų033.5 Ų33.50%016%0.163CC..G310 helixtrans-69.7-17173.7-64.30000114.7T86 L87 M98 I104 D108 K111 L112V84-T86 PolarHBondContact O-N 3.16Å; V84-L87 PolarHBondContact O-N 3.03Å; V84-M98 HydrophobicContact CG1-CE 4.2Å; V84-I104 HydrophobicContact CG1-CD1 3.53Å; V84-D108 HydrophobicContact CG1-CB 4Å; V84-D108 HydrophobicContact CG2-CB 3.8Å; V84-K111 HydrophobicContact CG2-CB 3.9Å; V84-K111 HydrophobicContact CG2-CD 3.96Å; V84-L112 HydrophobicContact CB-CD1 4.4Å; V84-L112 HydrophobicContact CB-CD2 3.83Å; V84-L112 HydrophobicContact CB-CG 3.85Å; V84-L112 HydrophobicContact CG1-CD1 3.96Å; V84-L112 HydrophobicContact CG1-CD2 4.19Å; V84-L112 HydrophobicContact CG1-CG 3.97Å; V84-L112 HydrophobicContact CG2-CG 4.35Å
85T91.7Very high91.7Very high28 Ų2835.4 Ų35.417%0.17217%0.172CC..G310 helixtrans-66.9-24.1-177.369.20000112.1D83 L87 E88 K111 L115D83-T85 VanDerWaalsContact C-N 3.28Å; D83-T85 VanDerWaalsContact CG-OG1 3.24Å; D83-T85 PolarHBondContact O-N 3Å; D83-T85 WeakPolarHBondContact OD1-CA 3.43Å; D83-T85 VanDerWaalsContact OD1-CB 3.28Å; D83-T85 WeakPolarHBondContact OD1-CB 3.21Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.47Å; D83-T85 PolarHBondContact OD1-N 3.48Å; D83-T85 PolarHBondContact OD1-OG1 3.06Å; D83-T85 PolarHBondContact OD2-OG1 2.94Å; D83-T85 VanDerWaalsContact OD2-OG1 3.08Å; T85-L87 PolarHBondContact O-N 2.86Å; T85-L87 VanDerWaalsContact O-N 3.1Å; T85-E88 WeakPolarHBondContact O-CB 3.36Å; T85-E88 WeakPolarHBondContact O-CG 3.31Å; T85-E88 PolarHBondContact O-N 3.35Å; T85-E88 VanDerWaalsContact O-N 3.14Å; T85-K111 HydrophobicContact CG2-CD 4.44Å; T85-L115 HydrophobicContact CG2-CD1 4.4Å
86T92.3Very high91.7Very high0 Ų034.5 Ų34.50%017%0.167CC..G310 helixtrans-58.6-19.817457.30000115.7E61 F62 R64 D83 V84 E88E61-T86 HydrophobicContact CB-CG2 3.75Å; E61-T86 HydrophobicContact CG-CG2 4.17Å; E61-T86 WeakPolarHBondContact OE2-CG2 3.32Å; F62-T86 WeakPolarHBondContact CB-OG1 3.41Å; F62-T86 PolarHBondContact N-OG1 3.05Å; F62-T86 VanDerWaalsContact O-CB 3.28Å; F62-T86 WeakPolarHBondContact O-CB 3.38Å; R64-T86 HydrophobicContact CG-CG2 3.69Å; D83-T86 HydrophobicContact CB-CG2 4.43Å; D83-T86 PolarHBondContact O-OG1 3.21Å; V84-T86 PolarHBondContact O-N 3.16Å; T86-E88 VanDerWaalsContact C-N 3.29Å; T86-E88 PolarHBondContact O-N 3.45Å
87L94Very high91.6Very high0 Ų036.2 Ų36.20%018%0.175CC..G310 helixtrans-81.9-1.6179-67.1160000113.4F62 L74 L76 M81 V84 T85 S89 L90 L112 L116F62-L87 HydrophobicContact CB-CD2 3.75Å; F62-L87 HydrophobicContact CB-CG 4.05Å; F62-L87 HydrophobicContact CD1-CD2 3.75Å; F62-L87 HydrophobicContact CD2-CD2 3.77Å; F62-L87 HydrophobicContact CE1-CD2 4.25Å; F62-L87 HydrophobicContact CE2-CD2 4.26Å; F62-L87 HydrophobicContact CG-CD2 3.48Å; F62-L87 VanDerWaalsContact CG-CD2 3.48Å; F62-L87 HydrophobicContact CG-CG 4.29Å; F62-L87 HydrophobicContact CZ-CD2 4.47Å; L74-L87 HydrophobicContact CD2-CD2 3.96Å; L76-L87 HydrophobicContact CD1-CD1 4.33Å; L76-L87 HydrophobicContact CD1-CD2 3.97Å; M81-L87 HydrophobicContact CE-CD1 4.45Å; V84-L87 PolarHBondContact O-N 3.03Å; T85-L87 PolarHBondContact O-N 2.86Å; T85-L87 VanDerWaalsContact O-N 3.1Å; L87-S89 PolarHBondContact O-N 2.99Å; L87-L90 HydrophobicContact CD2-CD1 3.66Å; L87-L90 PolarHBondContact O-N 3.41Å; L87-L112 HydrophobicContact CB-CD2 4.44Å; L87-L112 HydrophobicContact CD1-CD2 3.68Å; L87-L116 WeakPolarHBondContact O-CD2 3.43Å
88E91.2Very high91.7Very high98 Ų9836 Ų3646%0.45817%0.173SC..G310 helixtrans-54.6-20.3-177.267.6179.9171.400116.1T85 T86 R91 L115T85-E88 WeakPolarHBondContact O-CB 3.36Å; T85-E88 WeakPolarHBondContact O-CG 3.31Å; T85-E88 PolarHBondContact O-N 3.35Å; T85-E88 VanDerWaalsContact O-N 3.14Å; T86-E88 VanDerWaalsContact C-N 3.29Å; T86-E88 PolarHBondContact O-N 3.45Å; E88-R91 WeakPolarHBondContact O-CG 3.48Å; E88-L115 HydrophobicContact CB-CD2 3.96Å
89S90Very high91.6Very high41 Ų4135.2 Ų35.229%0.28717%0.169SC..G310 helixtrans-75.4-26.3177.550.40000113L66 L87 R91L66-S89 WeakPolarHBondContact O-CB 3.25Å; L66-S89 PolarHBondContact O-OG 2.84Å; L87-S89 PolarHBondContact O-N 2.99Å; S89-R91 PolarHBondContact O-N 3.32Å
90L93.9Very high90.9Very high3 Ų335.3 Ų35.32%0.01617%0.169CC..  trans-83.546.5-172.7-55.5-175.8000113F62 L68 L71 L74 L87 A92 L93 L116F62-L90 HydrophobicContact CD1-CD1 4.44Å; F62-L90 HydrophobicContact CE1-CD1 3.75Å; F62-L90 HydrophobicContact CE1-CD2 4.03Å; F62-L90 HydrophobicContact CE1-CG 4.05Å; F62-L90 HydrophobicContact CZ-CD1 3.8Å; F62-L90 HydrophobicContact CZ-CD2 4.37Å; F62-L90 HydrophobicContact CZ-CG 4.48Å; L68-L90 HydrophobicContact CB-CD2 4.31Å; L68-L90 HydrophobicContact CD1-CD2 4.44Å; L71-L90 HydrophobicContact CD2-CD1 4.09Å; L71-L90 HydrophobicContact CD2-CD2 4.03Å; L74-L90 HydrophobicContact CD2-CD1 3.49Å; L74-L90 VanDerWaalsContact CD2-CD1 3.49Å; L87-L90 HydrophobicContact CD2-CD1 3.66Å; L87-L90 PolarHBondContact O-N 3.41Å; L90-A92 PolarHBondContact O-N 2.92Å; L90-L93 HydrophobicContact CB-CB 4.29Å; L90-L93 WeakPolarHBondContact O-CB 3.37Å; L90-L93 PolarHBondContact O-N 3Å; L90-L116 HydrophobicContact CB-CD2 4.14Å; L90-L116 WeakPolarHBondContact O-CD2 3.47Å
91R90.5Very high90.5Very high172 Ų17231.9 Ų31.965%0.64915%0.154SC*.THydrogen-bonded Turntrans-60.7-19-173.7-63.2-175.2177.3-168.4-1.6114.4E88 S89 P117 N118E88-R91 WeakPolarHBondContact O-CG 3.48Å; S89-R91 PolarHBondContact O-N 3.32Å; R91-P117 HydrophobicContact CB-CG 4.46Å; R91-N118 PolarHBondContact O-ND2 2.89Å
92A94.9Very high89.4Confident17 Ų1734.3 Ų34.314%0.1417%0.166CC..THydrogen-bonded Turntrans-80.1-11.3176.800000114.5P69 L71 R72 L90P69-A92 WeakPolarHBondContact O-CB 3.29Å; L71-A92 CarbonylContact O-C 3.55Å; L71-A92 VanDerWaalsContact O-C 3.28Å; R72-A92 VanDerWaalsContact CD-O 3.24Å; R72-A92 WeakPolarHBondContact CD-O 3.41Å; R72-A92 PolarHBondContact NH1-O 3.22Å; L90-A92 PolarHBondContact O-N 2.92Å
93L97.4Very high89Confident0 Ų031.7 Ų31.70%015%0.153CC..  trans-69134.1-169.4-16374000112.8L71 R72 L74 L90 L96 L116 N118 L119L71-L93 HydrophobicContact CD2-CD1 4.06Å; L71-L93 HydrophobicContact CG-CD1 3.94Å; L71-L93 WeakPolarHBondContact O-CA 3.5Å; L71-L93 PolarHBondContact O-N 2.96Å; R72-L93 WeakPolarHBondContact O-CD1 3.43Å; L74-L93 HydrophobicContact CB-CD1 3.69Å; L74-L93 HydrophobicContact CB-CD2 4.06Å; L74-L93 HydrophobicContact CD2-CD2 4.45Å; L90-L93 HydrophobicContact CB-CB 4.29Å; L90-L93 WeakPolarHBondContact O-CB 3.37Å; L90-L93 PolarHBondContact O-N 3Å; L93-L96 HydrophobicContact CD2-CB 3.87Å; L93-L96 HydrophobicContact CD2-CD1 4.12Å; L93-L96 HydrophobicContact CD2-CG 4.38Å; L93-L116 HydrophobicContact CD2-CD1 4.2Å; L93-N118 CarbonylContact O-C 3.58Å; L93-L119 WeakPolarHBondContact O-CA 3.26Å; L93-L119 PolarHBondContact O-N 3.23Å; L93-L119 VanDerWaalsContact O-N 3.12Å
94E97.4Very high89Confident54 Ų5430.2 Ų30.225%0.25215%0.145SC..  trans-115.2-35.3-175.8-67.3-178.3-143.900112.7R72 N118 R120 I121R72-E94 WeakPolarHBondContact CD-OE1 3.49Å; R72-E94 IonicContact CZ-OE1 2.74Å; R72-E94 IonicContact NE-OE1 3.87Å; R72-E94 IonicContact NH1-OE1 3.03Å; R72-E94 PolarHBondContact NH1-OE1 3.38Å; R72-E94 PolarHBondContact O-N 3.08Å; E94-N118 HydrophobicContact CG-CB 4.47Å; E94-R120 PolarHBondContact O-N 2.73Å; E94-R120 IonicContact OE2-CZ 2.67Å; E94-R120 IonicContact OE2-NH1 2.71Å; E94-R120 PolarHBondContact OE2-NH1 2.39Å; E94-I121 PolarHBondContact O-N 3.24Å
95E97.6Very high88.5Confident40 Ų4032.8 Ų32.819%0.18716%0.161CC..EExtended strand (participates in β ladder)trans-123.4127.4172.7-178.8173.7178.300111R72 Y73 L74 K97 I121R72-E95 PolarHBondContact O-N 2.79Å; Y73-E95 WeakPolarHBondContact CA-O 3.39Å; Y73-E95 HydrophobicContact CD2-CB 4.01Å; Y73-E95 VanDerWaalsContact CD2-CD 3.47Å; Y73-E95 HydrophobicContact CD2-CG 3.81Å; Y73-E95 WeakPolarHBondContact CD2-OE2 3.48Å; Y73-E95 HydrophobicContact CE2-CG 3.97Å; Y73-E95 WeakPolarHBondContact CE2-OE1 3.35Å; L74-E95 PolarHBondContact N-O 2.65Å; E95-K97 WeakPolarHBondContact OE1-CE 3.45Å; E95-K97 IonicContact OE1-NZ 3.08Å; E95-K97 PolarHBondContact OE1-NZ 3.13Å; E95-I121 WeakPolarHBondContact CA-O 3.22Å; E95-I121 HydrophobicContact CB-CB 4.06Å; E95-I121 HydrophobicContact CG-CB 3.91Å; E95-I121 HydrophobicContact CG-CG2 3.82Å
96L97.6Very high88.2Confident0 Ų033.5 Ų33.50%017%0.165CC..EExtended strand (participates in β ladder)trans-127.3131.6174.4176.161000110.1L74 L76 L93 M98 L112 L116 L119 I121 Y122 N123L74-L96 HydrophobicContact CB-CD1 4.12Å; L74-L96 HydrophobicContact CD2-CD1 4.1Å; L74-L96 HydrophobicContact CG-CD1 4.06Å; L74-L96 WeakPolarHBondContact O-CA 3.31Å; L76-L96 HydrophobicContact CD1-CD1 4.43Å; L93-L96 HydrophobicContact CD2-CB 3.87Å; L93-L96 HydrophobicContact CD2-CD1 4.12Å; L93-L96 HydrophobicContact CD2-CG 4.38Å; L96-M98 HydrophobicContact CD1-CG 3.98Å; L96-M98 HydrophobicContact CD1-SD 4.27Å; L96-M98 HydrophobicContact CD2-CG 3.9Å; L96-M98 HydrophobicContact CG-CG 3.8Å; L96-L112 HydrophobicContact CD2-CD1 4.11Å; L96-L112 HydrophobicContact CD2-CD2 3.95Å; L96-L116 HydrophobicContact CD2-CD1 3.86Å; L96-L119 HydrophobicContact CB-CD1 3.6Å; L96-I121 PolarHBondContact N-O 3.45Å; L96-Y122 HydrophobicContact CB-CD2 4.21Å; L96-Y122 HydrophobicContact CD2-CD2 4.22Å; L96-Y122 HydrophobicContact CD2-CE2 4.04Å; L96-Y122 HydrophobicContact CG-CD2 4.17Å; L96-Y122 HydrophobicContact CG-CE2 4.18Å; L96-Y122 WeakPolarHBondContact O-CA 3.48Å; L96-N123 PolarHBondContact O-N 2.87Å
97K93.3Very high88.1Confident37 Ų3733.7 Ų33.716%0.16117%0.166CC..EExtended strand (participates in β ladder)trans-113.9123.6167.2-67176.8-174.31440110.4Y73 L74 D75 L76 S77 E95 S124Y73-K97 PolarHBondContact OH-NZ 2.97Å; L74-K97 PolarHBondContact O-N 3.04Å; D75-K97 WeakPolarHBondContact OD2-CD 3.12Å; L76-K97 WeakPolarHBondContact CA-O 3.44Å; L76-K97 PolarHBondContact N-O 2.89Å; S77-K97 WeakPolarHBondContact OG-CB 3.45Å; E95-K97 WeakPolarHBondContact OE1-CE 3.45Å; E95-K97 IonicContact OE1-NZ 3.08Å; E95-K97 PolarHBondContact OE1-NZ 3.13Å; K97-S124 WeakPolarHBondContact CE-OG 3.37Å
98M91.1Very high88Confident4 Ų434.5 Ų34.52%0.0217%0.17CC..  trans-125.719.1177.1-68.1-77.6-71.600110.3L76 M81 V84 L96 N101 I104 Y122 N123L76-M98 HydrophobicContact CB-SD 3.6Å; L76-M98 HydrophobicContact CD1-SD 3.69Å; L76-M98 HydrophobicContact CG-SD 4.3Å; M81-M98 HydrophobicContact CB-CE 3.64Å; M81-M98 HydrophobicContact CE-CE 4.35Å; M81-M98 HydrophobicContact CG-CE 3.87Å; M81-M98 HydrophobicContact CG-SD 4.38Å; V84-M98 HydrophobicContact CG1-CE 4.2Å; L96-M98 HydrophobicContact CD1-CG 3.98Å; L96-M98 HydrophobicContact CD1-SD 4.27Å; L96-M98 HydrophobicContact CD2-CG 3.9Å; L96-M98 HydrophobicContact CG-CG 3.8Å; M98-N101 WeakPolarHBondContact O-CB 3.44Å; M98-N101 PolarHBondContact O-N 2.83Å; M98-N101 PolarHBondContact O-ND2 2.84Å; M98-N101 VanDerWaalsContact O-ND2 3.1Å; M98-I104 HydrophobicContact CE-CD1 3.63Å; M98-I104 HydrophobicContact CE-CG1 4.01Å; M98-Y122 HydrophobicContact CB-CE2 3.86Å; M98-Y122 HydrophobicContact CG-CE2 3.82Å; M98-N123 PolarHBondContact N-OD1 2.87Å
99D81.9Confident88.1Confident31 Ų3131.7 Ų31.717%0.16616%0.158CC..THydrogen-bonded Turntrans-53.9156176-77.9-61.7000111S77 D78 N101 N123 N471S77-D99 CarbonylContact C-O 3.58Å; S77-D99 WeakPolarHBondContact CA-O 3.44Å; S77-D99 WeakPolarHBondContact CB-O 3.27Å; D78-D99 PolarHBondContact N-O 2.76Å; D99-N101 PolarHBondContact O-N 3.13Å; D99-N101 PolarHBondContact O-ND2 2.73Å; D99-N101 VanDerWaalsContact O-ND2 3.15Å; D99-N123 WeakPolarHBondContact CA-ND2 3.47Å; D99-N123 VanDerWaalsContact CG-CG 3.48Å; D99-N123 PolarHBondContact N-ND2 2.85Å; D99-N123 PolarHBondContact OD1-ND2 3.5Å; D99-N123 VanDerWaalsContact OD2-CB 3.27Å; D99-N123 WeakPolarHBondContact OD2-CB 3.41Å; D99-N123 VanDerWaalsContact OD2-CG 3.31Å; D99-N123 PolarHBondContact OD2-ND2 3.33Å; D99-N471 PolarHBondContact OD1-ND2 2.77Å; D99-N471 VanDerWaalsContact OD1-ND2 3.16Å
100D74.3Confident88.2Confident8 Ų832.6 Ų32.64%0.04316%0.156CC..THydrogen-bonded Turntrans62.6-1.5179.7-69.7-50.8000116.2D78 L102 R443 Y468 R470D78-D100 VanDerWaalsContact CA-CB 3.49Å; D78-D100 HydrophobicContact CB-CB 3.8Å; D100-L102 PolarHBondContact O-N 3.42Å; D100-R443 IonicContact OD2-CZ 3.52Å; D100-R443 IonicContact OD2-NH1 3.67Å; D100-R443 PolarHBondContact OD2-NH1 3.38Å; D100-R443 IonicContact OD2-NH2 2.69Å; D100-R443 PolarHBondContact OD2-NH2 3.5Å; D100-Y468 PolarHBondContact OD1-OH 2.96Å; D100-R470 PolarHBondContact O-NE 2.9Å; D100-R470 PolarHBondContact O-NH2 3.08Å; D100-R470 WeakPolarHBondContact OD1-CD 3.45Å; D100-R470 IonicContact OD1-CZ 2.64Å; D100-R470 IonicContact OD1-NE 2.69Å; D100-R470 IonicContact OD1-NH1 2.71Å; D100-R470 PolarHBondContact OD1-NH1 3.21Å
101N79.4Confident88.3Confident6 Ų633.4 Ų33.43%0.03216%0.16CC..  trans-79.7105.3172.7-72.7-89.3000111.2L76 N79 Q80 M81 M98 D99 Y103 I104L76-N101 PolarHBondContact O-ND2 3.33Å; N79-N101 WeakPolarHBondContact CA-OD1 3.13Å; N79-N101 WeakPolarHBondContact CB-OD1 3.42Å; N79-N101 PolarHBondContact O-OD1 3.34Å; Q80-N101 PolarHBondContact N-OD1 2.79Å; M81-N101 HydrophobicContact CB-CB 4.29Å; M81-N101 VanDerWaalsContact CB-OD1 3.27Å; M81-N101 WeakPolarHBondContact CB-OD1 3.24Å; M81-N101 VanDerWaalsContact CG-OD1 3.23Å; M81-N101 WeakPolarHBondContact CG-OD1 3.25Å; M81-N101 PolarHBondContact N-OD1 3.4Å; M98-N101 WeakPolarHBondContact O-CB 3.44Å; M98-N101 PolarHBondContact O-N 2.83Å; M98-N101 PolarHBondContact O-ND2 2.84Å; M98-N101 VanDerWaalsContact O-ND2 3.1Å; D99-N101 PolarHBondContact O-N 3.13Å; D99-N101 PolarHBondContact O-ND2 2.73Å; D99-N101 VanDerWaalsContact O-ND2 3.15Å; N101-Y103 PolarHBondContact O-N 3.21Å; N101-I104 HydrophobicContact CB-CG1 3.69Å
102L65.8Low88.5Confident50 Ų5025.2 Ų25.226%0.26213%0.129SC..THydrogen-bonded Turntrans-63.9-38.1-166.6-178.161.3000114.8D100 L401 K422 R470D100-L102 PolarHBondContact O-N 3.42Å; L102-L401 HydrophobicContact CD1-CD1 4.44Å; L102-L401 HydrophobicContact CD2-CD1 4.13Å; L102-K422 WeakPolarHBondContact O-CE 3.49Å; L102-K422 PolarHBondContact O-NZ 3.06Å; L102-R470 HydrophobicContact CD1-CG 4.29Å
103Y76.3Confident88.5Confident31 Ų3125 Ų2512%0.12213%0.125CC..THydrogen-bonded Turntrans-79.8-21.9-170.6-64.8-70.6000114.2E82 N101 T105 R400 M421E82-Y103 HydrophobicContact CG-CD2 3.77Å; E82-Y103 HydrophobicContact CG-CG 3.87Å; N101-Y103 PolarHBondContact O-N 3.21Å; Y103-T105 WeakPolarHBondContact O-CG2 3.44Å; Y103-T105 PolarHBondContact O-N 3.45Å; Y103-R400 PolarHBondContact OH-NH1 2.7Å; Y103-R400 VanDerWaalsContact OH-NH1 3.1Å; Y103-R400 PolarHBondContact OH-NH2 2.96Å; Y103-M421 HydrophobicContact CD1-CE 3.5Å; Y103-M421 VanDerWaalsContact CD1-CE 3.5Å; Y103-M421 HydrophobicContact CE1-CE 3.73Å
104I85.1Confident88.4Confident15 Ų1526.3 Ų26.38%0.07713%0.132CC..  trans-56.9124.8-179.6-55.5-59.3000110.8M81 V84 M98 N101 D108 N109 K422M81-I104 HydrophobicContact CB-CD1 4.08Å; M81-I104 VanDerWaalsContact O-CD1 3.26Å; M81-I104 WeakPolarHBondContact O-CD1 3.36Å; V84-I104 HydrophobicContact CG1-CD1 3.53Å; M98-I104 HydrophobicContact CE-CD1 3.63Å; M98-I104 HydrophobicContact CE-CG1 4.01Å; N101-I104 HydrophobicContact CB-CG1 3.69Å; I104-D108 HydrophobicContact CG2-CB 4.17Å; I104-N109 VanDerWaalsContact CG2-OD1 3.3Å; I104-N109 WeakPolarHBondContact CG2-OD1 3.41Å; I104-K422 PolarHBondContact O-NZ 3.46Å
105T83.7Confident88.2Confident54 Ų5425 Ų2533%0.33113%0.127SC..  trans-103.8173.9176.779.10000111.9Y103 S107 D108 N109Y103-T105 WeakPolarHBondContact O-CG2 3.44Å; Y103-T105 PolarHBondContact O-N 3.45Å; T105-S107 PolarHBondContact O-N 3.09Å; T105-S107 WeakPolarHBondContact OG1-CB 3.47Å; T105-S107 PolarHBondContact OG1-N 2.92Å; T105-S107 VanDerWaalsContact OG1-N 3.14Å; T105-D108 WeakPolarHBondContact CA-OD2 3.48Å; T105-D108 VanDerWaalsContact CB-OD2 3.22Å; T105-D108 WeakPolarHBondContact CB-OD2 3.5Å; T105-D108 WeakPolarHBondContact CG2-OD2 3.36Å; T105-D108 PolarHBondContact N-OD2 3.4Å; T105-D108 PolarHBondContact O-N 3.16Å; T105-D108 VanDerWaalsContact O-N 3.1Å; T105-D108 PolarHBondContact OG1-N 3.32Å; T105-D108 PolarHBondContact OG1-OD2 2.7Å; T105-N109 PolarHBondContact O-N 3.26Å; T105-N109 VanDerWaalsContact O-N 3.12Å
106V85.4Confident88.1Confident42 Ų4223.1 Ų23.126%0.25512%0.118SC..Hα-helixtrans-62-32.8171.8-173.70000111.3D108 Y110 V187V106-D108 VanDerWaalsContact C-N 3.31Å; V106-D108 PolarHBondContact O-N 2.73Å; V106-Y110 HydrophobicContact CG1-CD1 4.18Å; V106-Y110 HydrophobicContact CG1-CE1 3.83Å; V106-Y110 WeakPolarHBondContact O-CD1 3.48Å; V106-Y110 PolarHBondContact O-N 3.16Å; V106-V187 HydrophobicContact CG1-CG1 3.96Å
107S88.8Confident87.9Confident5 Ų526 Ų264%0.03514%0.137CC..Hα-helixtrans-63.7-37.3173.3-710000111.7T105 Y110 K111 S186 V187 F190T105-S107 PolarHBondContact O-N 3.09Å; T105-S107 WeakPolarHBondContact OG1-CB 3.47Å; T105-S107 PolarHBondContact OG1-N 2.92Å; T105-S107 VanDerWaalsContact OG1-N 3.14Å; S107-Y110 WeakPolarHBondContact O-CB 3.01Å; S107-Y110 PolarHBondContact O-N 2.78Å; S107-K111 WeakPolarHBondContact O-CG 3.39Å; S107-K111 PolarHBondContact O-N 3.31Å; S107-S186 PolarHBondContact OG-O 2.8Å; S107-S186 VanDerWaalsContact OG-O 3.08Å; S107-V187 WeakPolarHBondContact OG-CA 3.46Å; S107-F190 PolarHBondContact OG-N 3.07Å
108D92.4Very high88Confident16 Ų1627.7 Ų27.79%0.08615%0.148CC..Hα-helixtrans-76.1-35.5-176.6-52.9-56.5000112.1V84 I104 T105 V106 Y110 K111 L112V84-D108 HydrophobicContact CG1-CB 4Å; V84-D108 HydrophobicContact CG2-CB 3.8Å; I104-D108 HydrophobicContact CG2-CB 4.17Å; T105-D108 WeakPolarHBondContact CA-OD2 3.48Å; T105-D108 VanDerWaalsContact CB-OD2 3.22Å; T105-D108 WeakPolarHBondContact CB-OD2 3.5Å; T105-D108 WeakPolarHBondContact CG2-OD2 3.36Å; T105-D108 PolarHBondContact N-OD2 3.4Å; T105-D108 PolarHBondContact O-N 3.16Å; T105-D108 VanDerWaalsContact O-N 3.1Å; T105-D108 PolarHBondContact OG1-N 3.32Å; T105-D108 PolarHBondContact OG1-OD2 2.7Å; V106-D108 VanDerWaalsContact C-N 3.31Å; V106-D108 PolarHBondContact O-N 2.73Å; D108-Y110 VanDerWaalsContact C-N 3.25Å; D108-Y110 PolarHBondContact O-N 2.92Å; D108-K111 WeakPolarHBondContact O-CB 3.49Å; D108-K111 PolarHBondContact O-N 3.43Å; D108-K111 WeakPolarHBondContact OD1-CE 3.28Å; D108-K111 IonicContact OD1-NZ 3.78Å; D108-K111 PolarHBondContact OD1-NZ 3.08Å; D108-L112 WeakPolarHBondContact O-CG 3.34Å; D108-L112 PolarHBondContact O-N 2.83Å
109N92.6Very high88.3Confident39 Ų3927.5 Ų27.521%0.20915%0.147CC..Hα-helixtrans-56.1-42.6165.7-64.9-21000111.1I104 T105 L112 F113 Y122I104-N109 VanDerWaalsContact CG2-OD1 3.3Å; I104-N109 WeakPolarHBondContact CG2-OD1 3.41Å; T105-N109 PolarHBondContact O-N 3.26Å; T105-N109 VanDerWaalsContact O-N 3.12Å; N109-L112 WeakPolarHBondContact O-CB 3.4Å; N109-L112 PolarHBondContact O-N 3.17Å; N109-F113 HydrophobicContact CB-CE2 4.45Å; N109-F113 HydrophobicContact CB-CZ 4.2Å; N109-F113 WeakPolarHBondContact O-CD1 3.49Å; N109-F113 WeakPolarHBondContact O-CD2 3.46Å; N109-F113 WeakPolarHBondContact O-CG 3.29Å; N109-F113 PolarHBondContact O-N 3.03Å; N109-Y122 HydrophobicContact CB-CE1 4.4Å; N109-Y122 WeakPolarHBondContact OD1-CE1 3.48Å; N109-Y122 PolarHBondContact OD1-OH 2.98Å
110Y93.8Very high88.9Confident60 Ų6032.1 Ų32.124%0.23516%0.162CC..Hα-helixtrans-69.9-35.8179.4-79.238.1000111.9V106 S107 D108 F113 V114 L134 V187 F190V106-Y110 HydrophobicContact CG1-CD1 4.18Å; V106-Y110 HydrophobicContact CG1-CE1 3.83Å; V106-Y110 WeakPolarHBondContact O-CD1 3.48Å; V106-Y110 PolarHBondContact O-N 3.16Å; S107-Y110 WeakPolarHBondContact O-CB 3.01Å; S107-Y110 PolarHBondContact O-N 2.78Å; D108-Y110 VanDerWaalsContact C-N 3.25Å; D108-Y110 PolarHBondContact O-N 2.92Å; Y110-F113 PolarHBondContact O-N 2.9Å; Y110-V114 PolarHBondContact O-N 3.11Å; Y110-L134 HydrophobicContact CD1-CD1 3.97Å; Y110-L134 HydrophobicContact CD2-CD1 3.5Å; Y110-L134 HydrophobicContact CD2-CD2 3.5Å; Y110-L134 VanDerWaalsContact CD2-CD2 3.5Å; Y110-L134 HydrophobicContact CD2-CG 4.15Å; Y110-L134 HydrophobicContact CE1-CD1 4.4Å; Y110-L134 HydrophobicContact CE2-CD1 3.97Å; Y110-L134 HydrophobicContact CE2-CD2 3.56Å; Y110-L134 HydrophobicContact CE2-CG 4.36Å; Y110-L134 HydrophobicContact CG-CD1 3.49Å; Y110-L134 VanDerWaalsContact CG-CD1 3.49Å; Y110-L134 HydrophobicContact CG-CD2 4.37Å; Y110-V187 HydrophobicContact CD1-CG1 4.48Å; Y110-V187 HydrophobicContact CD2-CB 4.22Å; Y110-V187 HydrophobicContact CD2-CG1 3.76Å; Y110-V187 HydrophobicContact CE1-CG1 4.33Å; Y110-V187 HydrophobicContact CE2-CB 4.31Å; Y110-V187 HydrophobicContact CE2-CG1 3.6Å; Y110-V187 HydrophobicContact CG-CG1 4.22Å; Y110-F190 VanDerWaalsContact C-CE2 3.49Å; Y110-F190 AromaticContact CD2-CD1 3.75Å; Y110-F190 HydrophobicContact CD2-CD1 3.75Å; Y110-F190 AromaticContact CD2-CE1 3.82Å; Y110-F190 HydrophobicContact CD2-CE1 3.82Å; Y110-F190 HydrophobicContact CD2-CG 4.37Å; Y110-F190 HydrophobicContact CG-CD1 4.26Å; Y110-F190 HydrophobicContact CG-CE1 4.46Å; Y110-F190 HydrophobicContact CG-CG 4.45Å; Y110-F190 VanDerWaalsContact O-CE2 3.24Å; Y110-F190 WeakPolarHBondContact O-CE2 3.38Å
111K95Very high89.8Confident21 Ų2134.8 Ų34.89%0.09118%0.175CC..Hα-helixtrans-58.9-51.9169.7-66.3169.2-165.3162.60110.5V84 T85 S107 D108 F113 V114 L115 D189 F190 W193V84-K111 HydrophobicContact CG2-CB 3.9Å; V84-K111 HydrophobicContact CG2-CD 3.96Å; T85-K111 HydrophobicContact CG2-CD 4.44Å; S107-K111 WeakPolarHBondContact O-CG 3.39Å; S107-K111 PolarHBondContact O-N 3.31Å; D108-K111 WeakPolarHBondContact O-CB 3.49Å; D108-K111 PolarHBondContact O-N 3.43Å; D108-K111 WeakPolarHBondContact OD1-CE 3.28Å; D108-K111 IonicContact OD1-NZ 3.78Å; D108-K111 PolarHBondContact OD1-NZ 3.08Å; K111-F113 VanDerWaalsContact C-N 3.31Å; K111-F113 PolarHBondContact O-N 3.46Å; K111-V114 PolarHBondContact O-N 2.95Å; K111-V114 VanDerWaalsContact O-N 3.12Å; K111-L115 HydrophobicContact CB-CD1 4.32Å; K111-L115 WeakPolarHBondContact O-CB 3.47Å; K111-L115 VanDerWaalsContact O-CG 3.3Å; K111-L115 WeakPolarHBondContact O-CG 3.38Å; K111-L115 PolarHBondContact O-N 3.23Å; K111-D189 VanDerWaalsContact CE-OD2 3.23Å; K111-D189 WeakPolarHBondContact CE-OD2 3.44Å; K111-D189 IonicContact NZ-OD2 2.7Å; K111-D189 PolarHBondContact NZ-OD2 2.96Å; K111-F190 HydrophobicContact CG-CD2 4.04Å; K111-W193 HydrophobicContact CB-CH2 4.32Å; K111-W193 HydrophobicContact CB-CZ2 4.5Å; K111-W193 HydrophobicContact CB-CZ3 4.33Å; K111-W193 HydrophobicContact CD-CD2 4.4Å; K111-W193 HydrophobicContact CG-CD2 3.9Å; K111-W193 HydrophobicContact CG-CE3 3.85Å; K111-W193 HydrophobicContact CG-CG 4.44Å; K111-W193 HydrophobicContact CG-CH2 4.44Å; K111-W193 HydrophobicContact CG-CZ2 4.45Å; K111-W193 HydrophobicContact CG-CZ3 4.14Å
112L95.2Very high90.5Very high0 Ų035.3 Ų35.30%018%0.177CC..Hα-helixtrans-53.4-46178-76170.5000112.2V84 L87 L96 D108 N109 V114 L115 L116 Y122V84-L112 HydrophobicContact CB-CD1 4.4Å; V84-L112 HydrophobicContact CB-CD2 3.83Å; V84-L112 HydrophobicContact CB-CG 3.85Å; V84-L112 HydrophobicContact CG1-CD1 3.96Å; V84-L112 HydrophobicContact CG1-CD2 4.19Å; V84-L112 HydrophobicContact CG1-CG 3.97Å; V84-L112 HydrophobicContact CG2-CG 4.35Å; L87-L112 HydrophobicContact CB-CD2 4.44Å; L87-L112 HydrophobicContact CD1-CD2 3.68Å; L96-L112 HydrophobicContact CD2-CD1 4.11Å; L96-L112 HydrophobicContact CD2-CD2 3.95Å; D108-L112 WeakPolarHBondContact O-CG 3.34Å; D108-L112 PolarHBondContact O-N 2.83Å; N109-L112 WeakPolarHBondContact O-CB 3.4Å; N109-L112 PolarHBondContact O-N 3.17Å; L112-V114 PolarHBondContact O-N 3.26Å; L112-L115 PolarHBondContact O-N 3.35Å; L112-L116 HydrophobicContact CD2-CD1 3.94Å; L112-L116 WeakPolarHBondContact O-CB 3.31Å; L112-L116 PolarHBondContact O-N 3.42Å; L112-Y122 HydrophobicContact CD1-CE2 3.89Å
113F95.1Very high91.6Very high12 Ų1234.5 Ų34.55%0.05317%0.173CC..Hα-helixtrans-65.9-24.9-177.4-61.4-9.8000113.4N109 Y110 K111 L119 Y122 V127 T130 A131 L134 R135N109-F113 HydrophobicContact CB-CE2 4.45Å; N109-F113 HydrophobicContact CB-CZ 4.2Å; N109-F113 WeakPolarHBondContact O-CD1 3.49Å; N109-F113 WeakPolarHBondContact O-CD2 3.46Å; N109-F113 WeakPolarHBondContact O-CG 3.29Å; N109-F113 PolarHBondContact O-N 3.03Å; Y110-F113 PolarHBondContact O-N 2.9Å; K111-F113 VanDerWaalsContact C-N 3.31Å; K111-F113 PolarHBondContact O-N 3.46Å; F113-L119 HydrophobicContact CD1-CD2 3.94Å; F113-L119 HydrophobicContact CE1-CD2 4.27Å; F113-Y122 AromaticContact CE1-CD1 3.7Å; F113-Y122 HydrophobicContact CE1-CD1 3.7Å; F113-Y122 HydrophobicContact CE1-CD2 4.44Å; F113-Y122 HydrophobicContact CE1-CE1 4.24Å; F113-Y122 AromaticContact CE1-CG 3.8Å; F113-Y122 HydrophobicContact CE1-CG 3.8Å; F113-Y122 AromaticContact CZ-CD1 3.78Å; F113-Y122 HydrophobicContact CZ-CD1 3.78Å; F113-Y122 HydrophobicContact CZ-CE1 4.31Å; F113-Y122 HydrophobicContact CZ-CG 4.3Å; F113-V127 HydrophobicContact CD1-CG2 4.32Å; F113-V127 HydrophobicContact CE1-CB 4.28Å; F113-V127 HydrophobicContact CE1-CG1 4.29Å; F113-V127 HydrophobicContact CE1-CG2 3.98Å; F113-V127 HydrophobicContact CE2-CB 4.36Å; F113-V127 HydrophobicContact CE2-CG1 4.39Å; F113-V127 HydrophobicContact CZ-CB 4.05Å; F113-V127 HydrophobicContact CZ-CG1 3.81Å; F113-V127 HydrophobicContact CZ-CG2 4.26Å; F113-T130 HydrophobicContact CD2-CG2 4.32Å; F113-T130 HydrophobicContact CE2-CG2 4.28Å; F113-A131 HydrophobicContact CB-CB 3.83Å; F113-A131 HydrophobicContact CG-CB 4.22Å; F113-L134 HydrophobicContact CB-CD1 4.15Å; F113-L134 HydrophobicContact CD2-CD1 3.92Å; F113-R135 PolarHBondContact O-NE 2.88Å; F113-R135 PolarHBondContact O-NH2 2.89Å
114V94.4Very high91.9Very high27 Ų2737 Ų3716%0.16420%0.195CC..Hα-helixtrans-88.5-38.3173.3175.60000112Y110 K111 L112 L134 F190 W193Y110-V114 PolarHBondContact O-N 3.11Å; K111-V114 PolarHBondContact O-N 2.95Å; K111-V114 VanDerWaalsContact O-N 3.12Å; L112-V114 PolarHBondContact O-N 3.26Å; V114-L134 HydrophobicContact CG2-CB 4.05Å; V114-F190 HydrophobicContact CB-CE2 4.45Å; V114-F190 HydrophobicContact CG2-CE2 3.79Å; V114-F190 HydrophobicContact CG2-CZ 3.84Å; V114-W193 HydrophobicContact CB-CZ3 4.43Å; V114-W193 HydrophobicContact CG1-CH2 4.5Å; V114-W193 HydrophobicContact CG1-CZ3 4.42Å
115L94.4Very high91.8Very high26 Ų2642.9 Ų42.914%0.13622%0.22CC..Hα-helixtrans-69.3-33.8-179.8-74.1170.2000113.7T85 E88 K111 L112 P117 W193T85-L115 HydrophobicContact CG2-CD1 4.4Å; E88-L115 HydrophobicContact CB-CD2 3.96Å; K111-L115 HydrophobicContact CB-CD1 4.32Å; K111-L115 WeakPolarHBondContact O-CB 3.47Å; K111-L115 VanDerWaalsContact O-CG 3.3Å; K111-L115 WeakPolarHBondContact O-CG 3.38Å; K111-L115 PolarHBondContact O-N 3.23Å; L112-L115 PolarHBondContact O-N 3.35Å; L115-P117 VanDerWaalsContact O-CD 3.24Å; L115-P117 WeakPolarHBondContact O-CD 3.44Å; L115-W193 HydrophobicContact CD1-CH2 4.33Å; L115-W193 HydrophobicContact CD1-CZ2 4.13Å; L115-W193 HydrophobicContact CD2-CH2 3.98Å; L115-W193 HydrophobicContact CD2-CZ2 3.88Å; L115-W193 HydrophobicContact CG-CH2 3.84Å; L115-W193 HydrophobicContact CG-CZ2 3.99Å
116L95.3Very high92.2Very high1 Ų146.1 Ų46.11%0.00524%0.236CC..  trans-107.991-176.5-58.3172.8000108.8L87 L90 L93 L96 L112 N118 L119 R135L87-L116 WeakPolarHBondContact O-CD2 3.43Å; L90-L116 HydrophobicContact CB-CD2 4.14Å; L90-L116 WeakPolarHBondContact O-CD2 3.47Å; L93-L116 HydrophobicContact CD2-CD1 4.2Å; L96-L116 HydrophobicContact CD2-CD1 3.86Å; L112-L116 HydrophobicContact CD2-CD1 3.94Å; L112-L116 WeakPolarHBondContact O-CB 3.31Å; L112-L116 PolarHBondContact O-N 3.42Å; L116-N118 VanDerWaalsContact C-N 3.33Å; L116-N118 PolarHBondContact O-N 3.06Å; L116-L119 HydrophobicContact CB-CB 3.8Å; L116-L119 HydrophobicContact CB-CD2 4.47Å; L116-L119 HydrophobicContact CD1-CD2 4.24Å; L116-L119 WeakPolarHBondContact O-CB 3.46Å; L116-L119 PolarHBondContact O-N 2.89Å; L116-R135 PolarHBondContact O-NH2 2.85Å
117P93.1Very high92.5Very high61 Ų6145 Ų4540%0.39623%0.228SC..THydrogen-bonded Turntrans-69.4-28.9-170.927.2-35.8000113.4R91 L115 R135R91-P117 HydrophobicContact CB-CG 4.46Å; L115-P117 VanDerWaalsContact O-CD 3.24Å; L115-P117 WeakPolarHBondContact O-CD 3.44Å; P117-R135 PolarHBondContact O-NH1 2.87Å; P117-R135 VanDerWaalsContact O-NH1 3.17Å; P117-R135 PolarHBondContact O-NH2 3.48Å; P117-R135 VanDerWaalsContact O-NH2 3.13Å
118N95.2Very high92.7Very high72 Ų7246.7 Ų46.739%0.38524%0.239SC..THydrogen-bonded Turntrans-89.2-2.8178.8-70.4-59.6000113.9R91 L93 E94 L116 R120R91-N118 PolarHBondContact O-ND2 2.89Å; L93-N118 CarbonylContact O-C 3.58Å; E94-N118 HydrophobicContact CG-CB 4.47Å; L116-N118 VanDerWaalsContact C-N 3.33Å; L116-N118 PolarHBondContact O-N 3.06Å; N118-R120 PolarHBondContact O-N 2.8Å
119L96.6Very high92.6Very high1 Ų149.8 Ų49.81%0.00527%0.267CS..  trans-64.6124.1-178.6-171.572.9000110.4L93 L96 F113 L116 I121 R135L93-L119 WeakPolarHBondContact O-CA 3.26Å; L93-L119 PolarHBondContact O-N 3.23Å; L93-L119 VanDerWaalsContact O-N 3.12Å; L96-L119 HydrophobicContact CB-CD1 3.6Å; F113-L119 HydrophobicContact CD1-CD2 3.94Å; F113-L119 HydrophobicContact CE1-CD2 4.27Å; L116-L119 HydrophobicContact CB-CB 3.8Å; L116-L119 HydrophobicContact CB-CD2 4.47Å; L116-L119 HydrophobicContact CD1-CD2 4.24Å; L116-L119 WeakPolarHBondContact O-CB 3.46Å; L116-L119 PolarHBondContact O-N 2.89Å; L119-I121 WeakPolarHBondContact CD1-O 3.11Å; L119-R135 PolarHBondContact O-NH2 2.93Å; L119-R135 VanDerWaalsContact O-NH2 3.08Å
120R94.6Very high92.5Very high128 Ų12851 Ų5148%0.48328%0.276SS..  trans-115.2-45178.1-65.8168.9-173.2163.10.1111.2E94 N118 D126 V127 T128E94-R120 PolarHBondContact O-N 2.73Å; E94-R120 IonicContact OE2-CZ 2.67Å; E94-R120 IonicContact OE2-NH1 2.71Å; E94-R120 PolarHBondContact OE2-NH1 2.39Å; N118-R120 PolarHBondContact O-N 2.8Å; R120-D126 WeakPolarHBondContact O-CA 3.2Å; R120-V127 WeakPolarHBondContact O-CG2 3.35Å; R120-V127 PolarHBondContact O-N 2.88Å; R120-T128 WeakPolarHBondContact CA-OG1 3.4Å
121I93.3Very high92.4Very high63 Ų6348.1 Ų48.132%0.32326%0.264SS..EExtended strand (participates in β ladder)trans-109.7125.3-176.5-57176000109.8E94 E95 L96 L119 K125E94-I121 PolarHBondContact O-N 3.24Å; E95-I121 WeakPolarHBondContact CA-O 3.22Å; E95-I121 HydrophobicContact CB-CB 4.06Å; E95-I121 HydrophobicContact CG-CB 3.91Å; E95-I121 HydrophobicContact CG-CG2 3.82Å; L96-I121 PolarHBondContact N-O 3.45Å; L119-I121 WeakPolarHBondContact CD1-O 3.11Å; I121-K125 CarbonylContact C-O 3.49Å; I121-K125 WeakPolarHBondContact CA-O 3.31Å
122Y94.8Very high92.3Very high17 Ų1750 Ų507%0.06728%0.275CS..EExtended strand (participates in β ladder)trans-128.6126.6174.1-176.1-118.2000110.6L96 M98 N109 L112 F113 S124 K125L96-Y122 HydrophobicContact CB-CD2 4.21Å; L96-Y122 HydrophobicContact CD2-CD2 4.22Å; L96-Y122 HydrophobicContact CD2-CE2 4.04Å; L96-Y122 HydrophobicContact CG-CD2 4.17Å; L96-Y122 HydrophobicContact CG-CE2 4.18Å; L96-Y122 WeakPolarHBondContact O-CA 3.48Å; M98-Y122 HydrophobicContact CB-CE2 3.86Å; M98-Y122 HydrophobicContact CG-CE2 3.82Å; N109-Y122 HydrophobicContact CB-CE1 4.4Å; N109-Y122 WeakPolarHBondContact OD1-CE1 3.48Å; N109-Y122 PolarHBondContact OD1-OH 2.98Å; L112-Y122 HydrophobicContact CD1-CE2 3.89Å; F113-Y122 AromaticContact CE1-CD1 3.7Å; F113-Y122 HydrophobicContact CE1-CD1 3.7Å; F113-Y122 HydrophobicContact CE1-CD2 4.44Å; F113-Y122 HydrophobicContact CE1-CE1 4.24Å; F113-Y122 AromaticContact CE1-CG 3.8Å; F113-Y122 HydrophobicContact CE1-CG 3.8Å; F113-Y122 AromaticContact CZ-CD1 3.78Å; F113-Y122 HydrophobicContact CZ-CD1 3.78Å; F113-Y122 HydrophobicContact CZ-CE1 4.31Å; F113-Y122 HydrophobicContact CZ-CG 4.3Å; Y122-S124 PolarHBondContact O-N 2.87Å; Y122-K125 PolarHBondContact N-O 2.95Å; Y122-K125 PolarHBondContact O-N 3.4Å
123N87.8Confident92.2Very high33 Ų3354.4 Ų54.418%0.17630%0.296CS..THydrogen-bonded Turntrans46.548.4-176.2-67.523.4000112.3L96 M98 D99 K125L96-N123 PolarHBondContact O-N 2.87Å; M98-N123 PolarHBondContact N-OD1 2.87Å; D99-N123 WeakPolarHBondContact CA-ND2 3.47Å; D99-N123 VanDerWaalsContact CG-CG 3.48Å; D99-N123 PolarHBondContact N-ND2 2.85Å; D99-N123 PolarHBondContact OD1-ND2 3.5Å; D99-N123 VanDerWaalsContact OD2-CB 3.27Å; D99-N123 WeakPolarHBondContact OD2-CB 3.41Å; D99-N123 VanDerWaalsContact OD2-CG 3.31Å; D99-N123 PolarHBondContact OD2-ND2 3.33Å; N123-K125 VanDerWaalsContact C-N 3.26Å; N123-K125 PolarHBondContact O-N 2.84Å
124S83.3Confident92.1Very high84 Ų8454 Ų5459%0.58729%0.294SS*.THydrogen-bonded Turntrans61.920.4-177.8-40.10000116K97 Y122K97-S124 WeakPolarHBondContact CE-OG 3.37Å; Y122-S124 PolarHBondContact O-N 2.87Å
125K84.1Confident91.9Very high139 Ų13954.2 Ų54.260%0.60429%0.292SS*.EExtended strand (participates in β ladder)trans-122.9143.7175.9-63.6177.1-178.6177.90111I121 Y122 N123 V127I121-K125 CarbonylContact C-O 3.49Å; I121-K125 WeakPolarHBondContact CA-O 3.31Å; Y122-K125 PolarHBondContact N-O 2.95Å; Y122-K125 PolarHBondContact O-N 3.4Å; N123-K125 VanDerWaalsContact C-N 3.26Å; N123-K125 PolarHBondContact O-N 2.84Å; K125-V127 PolarHBondContact O-N 2.88Å
126D90.8Very high91.8Very high122 Ų12260.4 Ų60.465%0.65231%0.314SS*.EExtended strand (participates in β ladder)trans-67.8127.4168.6-169.8-12.8000109.7R120 T128R120-D126 WeakPolarHBondContact O-CA 3.2Å; D126-T128 WeakPolarHBondContact OD1-CB 3.22Å; D126-T128 PolarHBondContact OD1-N 2.95Å; D126-T128 PolarHBondContact OD1-OG1 3.23Å
127V92.8Very high91.6Very high17 Ų1764.6 Ų64.610%0.10334%0.34CS..  trans-120.15176.4-65.70000112.6F113 R120 K125 A129 T130 A131F113-V127 HydrophobicContact CD1-CG2 4.32Å; F113-V127 HydrophobicContact CE1-CB 4.28Å; F113-V127 HydrophobicContact CE1-CG1 4.29Å; F113-V127 HydrophobicContact CE1-CG2 3.98Å; F113-V127 HydrophobicContact CE2-CB 4.36Å; F113-V127 HydrophobicContact CE2-CG1 4.39Å; F113-V127 HydrophobicContact CZ-CB 4.05Å; F113-V127 HydrophobicContact CZ-CG1 3.81Å; F113-V127 HydrophobicContact CZ-CG2 4.26Å; R120-V127 WeakPolarHBondContact O-CG2 3.35Å; R120-V127 PolarHBondContact O-N 2.88Å; K125-V127 PolarHBondContact O-N 2.88Å; V127-A129 VanDerWaalsContact C-N 3.32Å; V127-A129 PolarHBondContact O-N 3.32Å; V127-T130 PolarHBondContact O-N 2.8Å; V127-A131 WeakPolarHBondContact O-CB 3.27Å; V127-A131 PolarHBondContact O-N 3.4Å
128T91.6Very high91.5Very high41 Ų4162.2 Ų62.225%0.25232%0.323SS..Hα-helixtrans-53.9-44.9-171.8-52.50000112.4R120 D126 N132R120-T128 WeakPolarHBondContact CA-OG1 3.4Å; D126-T128 WeakPolarHBondContact OD1-CB 3.22Å; D126-T128 PolarHBondContact OD1-N 2.95Å; D126-T128 PolarHBondContact OD1-OG1 3.23Å; T128-N132 WeakPolarHBondContact O-CB 3.45Å; T128-N132 VanDerWaalsContact O-CG 3.26Å; T128-N132 PolarHBondContact O-N 2.85Å; T128-N132 PolarHBondContact O-ND2 2.89Å
129A90.3Very high91.4Very high81 Ų8159 Ų5967%0.66931%0.306SS*.Hα-helixtrans-64.4-45.2177.900000112.6V127 H133V127-A129 VanDerWaalsContact C-N 3.32Å; V127-A129 PolarHBondContact O-N 3.32Å; A129-H133 WeakPolarHBondContact O-CB 3.26Å; A129-H133 PolarHBondContact O-N 2.83Å
130T91Very high91.1Very high65 Ų6563.1 Ų63.140%0.39933%0.328SS..Hα-helixtrans-65.8-44177.1-53.10000111.3F113 V127 H133 L134F113-T130 HydrophobicContact CD2-CG2 4.32Å; F113-T130 HydrophobicContact CE2-CG2 4.28Å; V127-T130 PolarHBondContact O-N 2.8Å; T130-H133 PolarHBondContact O-N 2.9Å; T130-L134 WeakPolarHBondContact O-CG 3.43Å; T130-L134 PolarHBondContact O-N 2.81Å
131A92.4Very high90.9Very high0 Ų059.5 Ų59.50%032%0.318CS..Hα-helixtrans-64.4-44.518000000111.4F113 V127 H133 L134 R135F113-A131 HydrophobicContact CB-CB 3.83Å; F113-A131 HydrophobicContact CG-CB 4.22Å; V127-A131 WeakPolarHBondContact O-CB 3.27Å; V127-A131 PolarHBondContact O-N 3.4Å; A131-H133 PolarHBondContact O-N 2.89Å; A131-L134 PolarHBondContact O-N 2.89Å; A131-L134 VanDerWaalsContact O-N 3.13Å; A131-R135 VanDerWaalsContact CB-CZ 3.49Å; A131-R135 WeakPolarHBondContact O-CB 3.44Å; A131-R135 WeakPolarHBondContact O-CD 3.46Å; A131-R135 WeakPolarHBondContact O-CG 3.27Å; A131-R135 PolarHBondContact O-N 3.29Å
132N92.5Very high90.9Very high59 Ų5956.5 Ų56.532%0.31630%0.303SS..Hα-helixtrans-63.7-39.4174.3-72.2-12.8000112.4T128 L134 R135 Y136T128-N132 WeakPolarHBondContact O-CB 3.45Å; T128-N132 VanDerWaalsContact O-CG 3.26Å; T128-N132 PolarHBondContact O-N 2.85Å; T128-N132 PolarHBondContact O-ND2 2.89Å; N132-L134 VanDerWaalsContact C-N 3.27Å; N132-L134 PolarHBondContact O-N 2.88Å; N132-R135 PolarHBondContact O-N 3.34Å; N132-R135 PolarHBondContact OD1-NH1 3.26Å; N132-Y136 HydrophobicContact CB-CD2 4.11Å; N132-Y136 HydrophobicContact CB-CE2 4.11Å; N132-Y136 WeakPolarHBondContact O-CD2 3.46Å; N132-Y136 PolarHBondContact O-N 3.27Å
133H92.3Very high90.9Very high94 Ų9460.4 Ų60.444%0.43532%0.318SS..Hα-helixtrans-59.3-37.3172.3-178.382.9000112.3A129 T130 A131 V137 Y138A129-H133 WeakPolarHBondContact O-CB 3.26Å; A129-H133 PolarHBondContact O-N 2.83Å; T130-H133 PolarHBondContact O-N 2.9Å; A131-H133 PolarHBondContact O-N 2.89Å; H133-V137 PolarHBondContact O-N 3.32Å; H133-Y138 WeakPolarHBondContact O-CB 3.11Å; H133-Y138 PolarHBondContact O-N 3.34Å
134L92.8Very high91.1Very high2 Ų262.6 Ų62.61%0.0133%0.333CS..Iπ-helixtrans-75.2-43.1177.1-65.7177.4000113.8Y110 F113 V114 T130 A131 N132 Y138 S139 F190Y110-L134 HydrophobicContact CD1-CD1 3.97Å; Y110-L134 HydrophobicContact CD2-CD1 3.5Å; Y110-L134 HydrophobicContact CD2-CD2 3.5Å; Y110-L134 VanDerWaalsContact CD2-CD2 3.5Å; Y110-L134 HydrophobicContact CD2-CG 4.15Å; Y110-L134 HydrophobicContact CE1-CD1 4.4Å; Y110-L134 HydrophobicContact CE2-CD1 3.97Å; Y110-L134 HydrophobicContact CE2-CD2 3.56Å; Y110-L134 HydrophobicContact CE2-CG 4.36Å; Y110-L134 HydrophobicContact CG-CD1 3.49Å; Y110-L134 VanDerWaalsContact CG-CD1 3.49Å; Y110-L134 HydrophobicContact CG-CD2 4.37Å; F113-L134 HydrophobicContact CB-CD1 4.15Å; F113-L134 HydrophobicContact CD2-CD1 3.92Å; V114-L134 HydrophobicContact CG2-CB 4.05Å; T130-L134 WeakPolarHBondContact O-CG 3.43Å; T130-L134 PolarHBondContact O-N 2.81Å; A131-L134 PolarHBondContact O-N 2.89Å; A131-L134 VanDerWaalsContact O-N 3.13Å; N132-L134 VanDerWaalsContact C-N 3.27Å; N132-L134 PolarHBondContact O-N 2.88Å; L134-Y138 HydrophobicContact CD2-CD1 4.36Å; L134-Y138 HydrophobicContact CD2-CD2 4.16Å; L134-Y138 HydrophobicContact CD2-CG 3.93Å; L134-S139 PolarHBondContact O-N 2.98Å; L134-S139 PolarHBondContact O-OG 3.45Å; L134-F190 HydrophobicContact CD2-CE1 4.11Å; L134-F190 HydrophobicContact CD2-CZ 4.37Å
135R91.4Very high91.6Very high33 Ų3363.6 Ų63.613%0.12532%0.323CS..Iπ-helixtrans-60.6-43.9178.9-70161.8-169.8160.3-4.3111.5F113 L116 P117 L119 A131 N132 S139F113-R135 PolarHBondContact O-NE 2.88Å; F113-R135 PolarHBondContact O-NH2 2.89Å; L116-R135 PolarHBondContact O-NH2 2.85Å; P117-R135 PolarHBondContact O-NH1 2.87Å; P117-R135 VanDerWaalsContact O-NH1 3.17Å; P117-R135 PolarHBondContact O-NH2 3.48Å; P117-R135 VanDerWaalsContact O-NH2 3.13Å; L119-R135 PolarHBondContact O-NH2 2.93Å; L119-R135 VanDerWaalsContact O-NH2 3.08Å; A131-R135 VanDerWaalsContact CB-CZ 3.49Å; A131-R135 WeakPolarHBondContact O-CB 3.44Å; A131-R135 WeakPolarHBondContact O-CD 3.46Å; A131-R135 WeakPolarHBondContact O-CG 3.27Å; A131-R135 PolarHBondContact O-N 3.29Å; N132-R135 PolarHBondContact O-N 3.34Å; N132-R135 PolarHBondContact OD1-NH1 3.26Å; R135-S139 WeakPolarHBondContact O-CB 3.43Å; R135-S139 PolarHBondContact O-OG 3.08Å
136Y91.9Very high92.1Very high155 Ų15557 Ų5761%0.60830%0.295SS*.Iπ-helixtrans-103-82-175.5-49.5-62.2000111.6N132 Y138 S139 D140N132-Y136 HydrophobicContact CB-CD2 4.11Å; N132-Y136 HydrophobicContact CB-CE2 4.11Å; N132-Y136 WeakPolarHBondContact O-CD2 3.46Å; N132-Y136 PolarHBondContact O-N 3.27Å; Y136-Y138 PolarHBondContact O-N 2.8Å; Y136-S139 PolarHBondContact O-N 3.11Å; Y136-D140 WeakPolarHBondContact O-CB 3.18Å; Y136-D140 PolarHBondContact O-N 2.92Å
137V91.2Very high92.2Very high89 Ų8953.1 Ų53.154%0.53927%0.274SS..Iπ-helixtrans-57.6-46.2-167.6-174.60000113.6H133 N141H133-V137 PolarHBondContact O-N 3.32Å; V137-N141 PolarHBondContact O-N 2.89Å; V137-N141 VanDerWaalsContact O-N 3.11Å
138Y90.9Very high92.1Very high12 Ų1254.8 Ų54.85%0.04729%0.289CS..Iπ-helixtrans-70.9-44.8-179.6-168.1-82.8000111.3H133 L134 Y136 D140 N141 L142 F182 F190 T191H133-Y138 WeakPolarHBondContact O-CB 3.11Å; H133-Y138 PolarHBondContact O-N 3.34Å; L134-Y138 HydrophobicContact CD2-CD1 4.36Å; L134-Y138 HydrophobicContact CD2-CD2 4.16Å; L134-Y138 HydrophobicContact CD2-CG 3.93Å; Y136-Y138 PolarHBondContact O-N 2.8Å; Y138-D140 VanDerWaalsContact C-N 3.3Å; Y138-D140 PolarHBondContact O-N 2.92Å; Y138-N141 PolarHBondContact O-N 2.79Å; Y138-L142 HydrophobicContact CD1-CD1 3.87Å; Y138-L142 HydrophobicContact CD1-CG 4.07Å; Y138-L142 HydrophobicContact CE1-CD1 3.68Å; Y138-L142 HydrophobicContact CE1-CD2 4.16Å; Y138-L142 HydrophobicContact CE1-CG 3.96Å; Y138-L142 WeakPolarHBondContact O-CG 3.46Å; Y138-L142 PolarHBondContact O-N 2.9Å; Y138-F182 HydrophobicContact CD1-CD1 4.34Å; Y138-F182 AromaticContact CD2-CD1 3.7Å; Y138-F182 HydrophobicContact CD2-CD1 3.7Å; Y138-F182 AromaticContact CD2-CE1 3.37Å; Y138-F182 HydrophobicContact CD2-CE1 3.37Å; Y138-F182 HydrophobicContact CD2-CZ 4.43Å; Y138-F182 HydrophobicContact CE1-CD1 4.12Å; Y138-F182 AromaticContact CE2-CD1 3.41Å; Y138-F182 HydrophobicContact CE2-CD1 3.41Å; Y138-F182 VanDerWaalsContact CE2-CD1 3.41Å; Y138-F182 AromaticContact CE2-CE1 3.54Å; Y138-F182 HydrophobicContact CE2-CE1 3.54Å; Y138-F182 HydrophobicContact CE2-CG 4.39Å; Y138-F182 HydrophobicContact CG-CD1 4.15Å; Y138-F182 AromaticContact CG-CE1 3.9Å; Y138-F182 HydrophobicContact CG-CE1 3.9Å; Y138-F182 AromaticContact CZ-CD1 3.64Å; Y138-F182 PolarHBondContact OH-O 3.18Å; Y138-F190 AromaticContact CD1-CE1 3.74Å; Y138-F190 HydrophobicContact CD1-CE1 3.74Å; Y138-F190 HydrophobicContact CD1-CZ 4.42Å; Y138-F190 HydrophobicContact CE1-CD1 4.04Å; Y138-F190 AromaticContact CE1-CE1 3.46Å; Y138-F190 HydrophobicContact CE1-CE1 3.46Å; Y138-F190 VanDerWaalsContact CE1-CE1 3.46Å; Y138-F190 HydrophobicContact CE1-CZ 4.48Å; Y138-T191 PolarHBondContact OH-OG1 2.85Å
139S92.2Very high92.1Very high5 Ų553.5 Ų53.54%0.03528%0.281CS..Hα-helixtrans-63-35.7177.4-69.10000112.3L134 R135 Y136 L142 R143 R194 L198L134-S139 PolarHBondContact O-N 2.98Å; L134-S139 PolarHBondContact O-OG 3.45Å; R135-S139 WeakPolarHBondContact O-CB 3.43Å; R135-S139 PolarHBondContact O-OG 3.08Å; Y136-S139 PolarHBondContact O-N 3.11Å; S139-L142 WeakPolarHBondContact O-CB 3.29Å; S139-L142 PolarHBondContact O-N 3.32Å; S139-R143 WeakPolarHBondContact O-CB 3.44Å; S139-R143 PolarHBondContact O-N 2.96Å; S139-R194 PolarHBondContact OG-NE 2.88Å; S139-R194 VanDerWaalsContact OG-NE 3.09Å; S139-L198 WeakPolarHBondContact O-CD1 3.47Å
140D91.6Very high92.3Very high87 Ų8750.5 Ų50.547%0.46525%0.253SS..Hα-helixtrans-68.9-41.4175.4-175.669.3000112.6Y136 Y138 L142 R143 T144Y136-D140 WeakPolarHBondContact O-CB 3.18Å; Y136-D140 PolarHBondContact O-N 2.92Å; Y138-D140 VanDerWaalsContact C-N 3.3Å; Y138-D140 PolarHBondContact O-N 2.92Å; D140-L142 VanDerWaalsContact C-N 3.27Å; D140-L142 PolarHBondContact O-N 2.96Å; D140-R143 PolarHBondContact O-N 2.82Å; D140-R143 VanDerWaalsContact O-N 3.15Å; D140-T144 WeakPolarHBondContact O-CB 3.36Å; D140-T144 PolarHBondContact O-N 2.96Å; D140-T144 PolarHBondContact O-OG1 2.88Å; D140-T144 VanDerWaalsContact O-OG1 3.05Å
141N90.6Very high92.3Very high51 Ų5154.1 Ų54.127%0.27327%0.265SS..Hα-helixtrans-63.9-34173.7-153.8-99.5000112.2V137 Y138 R145 F182V137-N141 PolarHBondContact O-N 2.89Å; V137-N141 VanDerWaalsContact O-N 3.11Å; Y138-N141 PolarHBondContact O-N 2.79Å; N141-R145 VanDerWaalsContact O-CG 3.26Å; N141-R145 WeakPolarHBondContact O-CG 3.25Å; N141-R145 PolarHBondContact O-N 2.71Å; N141-R145 PolarHBondContact OD1-NE 3.13Å; N141-R145 PolarHBondContact OD1-NH2 3.3Å; N141-F182 HydrophobicContact CB-CD1 4.22Å; N141-F182 HydrophobicContact CB-CE1 3.71Å; N141-F182 HydrophobicContact CB-CZ 3.89Å; N141-F182 WeakPolarHBondContact OD1-CD2 3.25Å; N141-F182 VanDerWaalsContact OD1-CE2 3.24Å; N141-F182 WeakPolarHBondContact OD1-CE2 3.44Å; N141-F182 WeakPolarHBondContact OD1-CZ 3.3Å
142L92.7Very high92.3Very high0 Ų062.1 Ų62.10%030%0.295CS..Hα-helixtrans-66-46.8170.2-66.2-178.8000111.9Y138 S139 D140 T144 R145 M146 V180 F182 T191 R194 V195 L198Y138-L142 HydrophobicContact CD1-CD1 3.87Å; Y138-L142 HydrophobicContact CD1-CG 4.07Å; Y138-L142 HydrophobicContact CE1-CD1 3.68Å; Y138-L142 HydrophobicContact CE1-CD2 4.16Å; Y138-L142 HydrophobicContact CE1-CG 3.96Å; Y138-L142 WeakPolarHBondContact O-CG 3.46Å; Y138-L142 PolarHBondContact O-N 2.9Å; S139-L142 WeakPolarHBondContact O-CB 3.29Å; S139-L142 PolarHBondContact O-N 3.32Å; D140-L142 VanDerWaalsContact C-N 3.27Å; D140-L142 PolarHBondContact O-N 2.96Å; L142-T144 PolarHBondContact O-N 2.88Å; L142-R145 PolarHBondContact O-N 2.66Å; L142-M146 WeakPolarHBondContact O-CB 3.39Å; L142-M146 PolarHBondContact O-N 3.01Å; L142-V180 HydrophobicContact CD2-CG1 3.94Å; L142-F182 HydrophobicContact CD2-CB 3.87Å; L142-F182 HydrophobicContact CD2-CD1 4.15Å; L142-F182 HydrophobicContact CD2-CG 4.47Å; L142-T191 HydrophobicContact CD2-CG2 3.79Å; L142-R194 HydrophobicContact CD1-CB 3.84Å; L142-R194 HydrophobicContact CD1-CG 3.75Å; L142-V195 HydrophobicContact CB-CG2 4.25Å; L142-V195 HydrophobicContact CD1-CG2 4.13Å; L142-V195 HydrophobicContact CD2-CG2 3.95Å; L142-V195 HydrophobicContact CG-CG2 4.33Å; L142-L198 HydrophobicContact CB-CD1 3.65Å; L142-L198 HydrophobicContact CD1-CD1 4.26Å
143R94.3Very high92.1Very high99 Ų9962.2 Ų62.237%0.37430%0.3SS..Hα-helixtrans-58.2-47178.2-179.3176.8-75.9158.2-6.1111.2S139 D140 R145 M146 I147 E201S139-R143 WeakPolarHBondContact O-CB 3.44Å; S139-R143 PolarHBondContact O-N 2.96Å; D140-R143 PolarHBondContact O-N 2.82Å; D140-R143 VanDerWaalsContact O-N 3.15Å; R143-R145 PolarHBondContact O-N 2.94Å; R143-M146 HydrophobicContact CG-CE 4.29Å; R143-M146 WeakPolarHBondContact O-CB 3.35Å; R143-M146 PolarHBondContact O-N 3.42Å; R143-I147 HydrophobicContact CG-CD1 3.83Å; R143-I147 HydrophobicContact CG-CG1 4.46Å; R143-I147 WeakPolarHBondContact O-CG1 3.32Å; R143-I147 PolarHBondContact O-N 2.64Å; R143-E201 IonicContact NH2-OE2 3.26Å; R143-E201 PolarHBondContact NH2-OE2 2.98Å
144T92.4Very high92.1Very high80 Ų8059.9 Ų59.949%0.49129%0.289SS..Hα-helixtrans-57-49.4176-60.60000111.9D140 L142 M146 I147 A148D140-T144 WeakPolarHBondContact O-CB 3.36Å; D140-T144 PolarHBondContact O-N 2.96Å; D140-T144 PolarHBondContact O-OG1 2.88Å; D140-T144 VanDerWaalsContact O-OG1 3.05Å; L142-T144 PolarHBondContact O-N 2.88Å; T144-M146 VanDerWaalsContact C-N 3.31Å; T144-M146 PolarHBondContact O-N 3.16Å; T144-I147 PolarHBondContact O-N 3.21Å; T144-A148 PolarHBondContact O-N 2.86Å; T144-A148 VanDerWaalsContact O-N 3.17Å
145R93.1Very high91.7Very high105 Ų10563.9 Ų63.940%0.39632%0.317SS..Hα-helixtrans-65.4-33.1177.7-70170.9-169.2-84.5-10.1113.1N141 L142 R143 V149 V180N141-R145 VanDerWaalsContact O-CG 3.26Å; N141-R145 WeakPolarHBondContact O-CG 3.25Å; N141-R145 PolarHBondContact O-N 2.71Å; N141-R145 PolarHBondContact OD1-NE 3.13Å; N141-R145 PolarHBondContact OD1-NH2 3.3Å; L142-R145 PolarHBondContact O-N 2.66Å; R143-R145 PolarHBondContact O-N 2.94Å; R145-V149 WeakPolarHBondContact O-CG2 3.49Å; R145-V149 PolarHBondContact O-N 3.11Å; R145-V180 HydrophobicContact CB-CG1 3.78Å; R145-V180 HydrophobicContact CB-CG2 4.25Å
146M95.5Very high91.4Very high0 Ų065.7 Ų65.70%033%0.329CS..Hα-helixtrans-73.4-41.3179.8175.5-16180.600111.7L142 R143 T144 A148 V149 W150 F172 A176 V180 L198 A199 Y202L142-M146 WeakPolarHBondContact O-CB 3.39Å; L142-M146 PolarHBondContact O-N 3.01Å; R143-M146 HydrophobicContact CG-CE 4.29Å; R143-M146 WeakPolarHBondContact O-CB 3.35Å; R143-M146 PolarHBondContact O-N 3.42Å; T144-M146 VanDerWaalsContact C-N 3.31Å; T144-M146 PolarHBondContact O-N 3.16Å; M146-A148 VanDerWaalsContact C-N 3.35Å; M146-V149 WeakPolarHBondContact O-CB 3.41Å; M146-V149 PolarHBondContact O-N 3.01Å; M146-V149 VanDerWaalsContact O-N 3.07Å; M146-W150 PolarHBondContact O-N 3.07Å; M146-F172 HydrophobicContact CG-CE2 4.33Å; M146-F172 HydrophobicContact CG-CZ 3.79Å; M146-F172 HydrophobicContact SD-CZ 4.43Å; M146-A176 HydrophobicContact CG-CB 4.42Å; M146-V180 HydrophobicContact CB-CG2 4.26Å; M146-L198 HydrophobicContact CE-CB 4.27Å; M146-L198 HydrophobicContact SD-CB 3.62Å; M146-A199 HydrophobicContact CG-CB 4.48Å; M146-A199 WeakPolarHBondContact SD-CA 3.43Å; M146-A199 HydrophobicContact SD-CB 3.86Å; M146-A199 PolarHBondContact SD-N 2.07Å; M146-Y202 HydrophobicContact CE-CD1 4.09Å; M146-Y202 HydrophobicContact CE-CG 3.84Å
147I92.8Very high90.8Very high41 Ų4159.6 Ų59.621%0.2131%0.308CS..Hα-helixtrans-61.6-44.6173.6-69168.9000109.9R143 T144 V149 W150 E151 Y202R143-I147 HydrophobicContact CG-CD1 3.83Å; R143-I147 HydrophobicContact CG-CG1 4.46Å; R143-I147 WeakPolarHBondContact O-CG1 3.32Å; R143-I147 PolarHBondContact O-N 2.64Å; T144-I147 PolarHBondContact O-N 3.21Å; I147-V149 PolarHBondContact O-N 2.69Å; I147-V149 VanDerWaalsContact O-N 3.13Å; I147-W150 CarbonylContact O-C 3.59Å; I147-W150 WeakPolarHBondContact O-CA 3.47Å; I147-W150 VanDerWaalsContact O-CB 3.32Å; I147-W150 WeakPolarHBondContact O-CB 3.36Å; I147-W150 PolarHBondContact O-N 3.5Å; I147-E151 HydrophobicContact CG2-CG 4.06Å; I147-E151 WeakPolarHBondContact CG2-OE1 3.36Å; I147-E151 WeakPolarHBondContact O-CG 3.06Å; I147-E151 PolarHBondContact O-N 3Å; I147-Y202 HydrophobicContact CD1-CE2 4.09Å; I147-Y202 HydrophobicContact CG1-CD2 4.35Å; I147-Y202 HydrophobicContact CG1-CE1 4.26Å; I147-Y202 HydrophobicContact CG1-CE2 3.92Å
148A91.4Very high90Very high52 Ų5262.4 Ų62.443%0.4332%0.32SS..Hα-helixtrans-62.8-19.9173.900000114.4T144 M146 R152T144-A148 PolarHBondContact O-N 2.86Å; T144-A148 VanDerWaalsContact O-N 3.17Å; M146-A148 VanDerWaalsContact C-N 3.35Å; A148-R152 WeakPolarHBondContact O-CB 3.5Å
149V91.9Very high88.9Confident13 Ų1366.2 Ų66.28%0.07935%0.347CS..Hα-helixtrans-83.3-33.1170.5169.10000111.6R145 M146 I147 F154 Q179 V180R145-V149 WeakPolarHBondContact O-CG2 3.49Å; R145-V149 PolarHBondContact O-N 3.11Å; M146-V149 WeakPolarHBondContact O-CB 3.41Å; M146-V149 PolarHBondContact O-N 3.01Å; M146-V149 VanDerWaalsContact O-N 3.07Å; I147-V149 PolarHBondContact O-N 2.69Å; I147-V149 VanDerWaalsContact O-N 3.13Å; V149-F154 HydrophobicContact CG1-CE2 4.46Å; V149-Q179 HydrophobicContact CG2-CB 3.92Å; V149-V180 HydrophobicContact CG2-CG2 4.15Å
150W92.8Very high88Confident19 Ų1970.4 Ų70.47%0.07237%0.372CS..Hα-helixtrans-63.7-62.2170.9175.9-95.9000110.7M146 I147 R152 S153 F154 L156 L168 F172 Y202 L203 L206M146-W150 PolarHBondContact O-N 3.07Å; I147-W150 CarbonylContact O-C 3.59Å; I147-W150 WeakPolarHBondContact O-CA 3.47Å; I147-W150 VanDerWaalsContact O-CB 3.32Å; I147-W150 WeakPolarHBondContact O-CB 3.36Å; I147-W150 PolarHBondContact O-N 3.5Å; W150-R152 PolarHBondContact O-N 3.5Å; W150-S153 PolarHBondContact O-N 3.43Å; W150-F154 HydrophobicContact CD2-CB 3.78Å; W150-F154 HydrophobicContact CE3-CB 3.46Å; W150-F154 VanDerWaalsContact CE3-CB 3.46Å; W150-F154 HydrophobicContact CE3-CG 4.15Å; W150-F154 HydrophobicContact CG-CB 4.36Å; W150-F154 HydrophobicContact CH2-CB 4.46Å; W150-F154 HydrophobicContact CZ3-CB 3.83Å; W150-F154 PolarHBondContact O-N 3.14Å; W150-L156 HydrophobicContact CH2-CD2 4.27Å; W150-L156 HydrophobicContact CZ2-CD2 4.25Å; W150-L156 HydrophobicContact CZ2-CG 4.33Å; W150-L168 HydrophobicContact CH2-CD2 3.9Å; W150-L168 HydrophobicContact CH2-CG 4.38Å; W150-L168 HydrophobicContact CZ3-CD1 4.33Å; W150-L168 HydrophobicContact CZ3-CD2 4.32Å; W150-L168 HydrophobicContact CZ3-CG 4.3Å; W150-F172 HydrophobicContact CB-CE2 3.74Å; W150-F172 HydrophobicContact CB-CZ 3.98Å; W150-F172 HydrophobicContact CE3-CB 4.46Å; W150-F172 AromaticContact CE3-CD1 3.81Å; W150-F172 HydrophobicContact CE3-CD1 3.81Å; W150-F172 AromaticContact CE3-CD2 3.79Å; W150-F172 HydrophobicContact CE3-CD2 3.79Å; W150-F172 AromaticContact CE3-CE1 3.89Å; W150-F172 HydrophobicContact CE3-CE1 3.89Å; W150-F172 AromaticContact CE3-CE2 3.88Å; W150-F172 HydrophobicContact CE3-CE2 3.88Å; W150-F172 AromaticContact CE3-CG 3.76Å; W150-F172 HydrophobicContact CE3-CG 3.76Å; W150-F172 AromaticContact CE3-CZ 3.92Å; W150-F172 HydrophobicContact CE3-CZ 3.92Å; W150-F172 HydrophobicContact CZ3-CB 4.39Å; W150-F172 AromaticContact CZ3-CD1 4Å; W150-F172 HydrophobicContact CZ3-CD1 4Å; W150-F172 HydrophobicContact CZ3-CE1 4.39Å; W150-F172 HydrophobicContact CZ3-CG 4.06Å; W150-Y202 HydrophobicContact CB-CE1 4.07Å; W150-Y202 AromaticContact CD1-CE1 3.86Å; W150-Y202 HydrophobicContact CD2-CE1 4.03Å; W150-Y202 AromaticContact CG-CE1 3.74Å; W150-Y202 HydrophobicContact CG-CE1 3.74Å; W150-L203 HydrophobicContact CH2-CD1 3.6Å; W150-L203 HydrophobicContact CZ3-CD1 3.81Å; W150-L206 HydrophobicContact CD2-CD1 4.46Å; W150-L206 HydrophobicContact CH2-CD1 4.27Å; W150-L206 HydrophobicContact CZ2-CD1 3.56Å
151E91.9Very high87.4Confident141 Ų14168.5 Ų68.566%0.65937%0.365SS*.Hα-helixtrans-54.3-31.6-175.1-66.3169.6154.500113.8I147I147-E151 HydrophobicContact CG2-CG 4.06Å; I147-E151 WeakPolarHBondContact CG2-OE1 3.36Å; I147-E151 WeakPolarHBondContact O-CG 3.06Å; I147-E151 PolarHBondContact O-N 3Å
152R91.9Very high86.8Confident167 Ų16770 Ų7063%0.6338%0.384SS*.THydrogen-bonded Turntrans-85.8-11-178.5-155.7-154.968.3-163.1-8.8114A148 W150A148-R152 WeakPolarHBondContact O-CB 3.5Å; W150-R152 PolarHBondContact O-N 3.5Å
153S88.8Confident86.2Confident61 Ų6178 Ų7843%0.42742%0.422SS..THydrogen-bonded Turntrans-155.8-1.3-166-61.70000116.3W150W150-S153 PolarHBondContact O-N 3.43Å
154F91.2Very high85.5Confident45 Ų4577.3 Ų77.320%0.19742%0.421CS..  trans-144.2151.4-176.2-63.3-83.1000111.7V149 W150 L168 N171 F172 A175V149-F154 HydrophobicContact CG1-CE2 4.46Å; W150-F154 HydrophobicContact CD2-CB 3.78Å; W150-F154 HydrophobicContact CE3-CB 3.46Å; W150-F154 VanDerWaalsContact CE3-CB 3.46Å; W150-F154 HydrophobicContact CE3-CG 4.15Å; W150-F154 HydrophobicContact CG-CB 4.36Å; W150-F154 HydrophobicContact CH2-CB 4.46Å; W150-F154 HydrophobicContact CZ3-CB 3.83Å; W150-F154 PolarHBondContact O-N 3.14Å; F154-L168 HydrophobicContact CD1-CD1 3.68Å; F154-L168 HydrophobicContact CE1-CD1 4.45Å; F154-N171 HydrophobicContact CE1-CB 4.1Å; F154-F172 HydrophobicContact CD1-CB 4.19Å; F154-F172 AromaticContact CD2-CD2 3.84Å; F154-F172 HydrophobicContact CD2-CD2 3.84Å; F154-F172 HydrophobicContact CE1-CB 4.14Å; F154-F172 HydrophobicContact CE2-CD2 4.02Å; F154-F172 HydrophobicContact CG-CB 4.44Å; F154-F172 HydrophobicContact CG-CD2 4.25Å; F154-F172 HydrophobicContact CZ-CB 4.36Å; F154-A175 HydrophobicContact CE2-CB 3.7Å; F154-A175 HydrophobicContact CZ-CB 3.54Å
155S85.8Confident85Confident86 Ų8675.2 Ų75.260%0.60141%0.407SS*.  trans-147.4165.6172.364.10000109.3L168S155-L168 WeakPolarHBondContact O-CD2 3.39Å
156L85.5Confident84.7Confident71 Ų7172.5 Ų72.537%0.37240%0.404SS..PPolyproline II helixtrans-65.9146.7171.3-67.3172.6000110.5W150 L203 L206W150-L156 HydrophobicContact CH2-CD2 4.27Å; W150-L156 HydrophobicContact CZ2-CD2 4.25Å; W150-L156 HydrophobicContact CZ2-CG 4.33Å; L156-L203 HydrophobicContact CD2-CD1 4.46Å; L156-L206 HydrophobicContact CD1-CB 4.35Å; L156-L206 VanDerWaalsContact CD1-O 3.28Å; L156-L206 WeakPolarHBondContact CD1-O 3.25Å; L156-L206 HydrophobicContact CD2-CB 4.11Å
157P78.4Confident84.3Confident27 Ų2775.5 Ų75.518%0.17543%0.425CS..PPolyproline II helixtrans-83.4132.3177.4-1.520.4000110.8P159 V160 K164 L168P157-P159 CarbonylContact O-C 3.2Å; P157-V160 VanDerWaalsContact O-CA 3.28Å; P157-V160 WeakPolarHBondContact O-CA 3.37Å; P157-V160 VanDerWaalsContact O-CG2 3.23Å; P157-V160 WeakPolarHBondContact O-CG2 3.48Å; P157-V160 PolarHBondContact O-N 3.07Å; P157-V160 VanDerWaalsContact O-N 3.09Å; P157-K164 HydrophobicContact CB-CB 3.94Å; P157-K164 HydrophobicContact CB-CD 3.7Å; P157-K164 HydrophobicContact CB-CG 4.42Å; P157-K164 HydrophobicContact CG-CB 3.89Å; P157-L168 HydrophobicContact CG-CD2 3.85Å
158D73.5Confident84.1Confident149 Ų14974.5 Ų74.580%0.79742%0.42SS*.SBendtrans-103.4134.5171.1-166.33.1000110.7K164D158-K164 PolarHBondContact O-NZ 2.85Å
159P69.2Low84.1Confident92 Ų9274.9 Ų74.960%0.59741%0.413SS*.SBendcis-62.6151.4-26.329.1-36.1000111.3P157 S161 K164P157-P159 CarbonylContact O-C 3.2Å; P159-S161 PolarHBondContact O-N 3.5Å; P159-K164 PolarHBondContact O-NZ 2.8Å
160V73.5Confident84.1Confident93 Ų9380.6 Ų80.656%0.56444%0.437SS*.  trans-69.3114.8179.5-178.50000109.4P157 L165P157-V160 VanDerWaalsContact O-CA 3.28Å; P157-V160 WeakPolarHBondContact O-CA 3.37Å; P157-V160 VanDerWaalsContact O-CG2 3.23Å; P157-V160 WeakPolarHBondContact O-CG2 3.48Å; P157-V160 PolarHBondContact O-N 3.07Å; P157-V160 VanDerWaalsContact O-N 3.09Å; V160-L165 HydrophobicContact CG1-CD1 3.52Å; V160-L165 HydrophobicContact CG1-CD2 4.5Å; V160-L165 HydrophobicContact CG1-CG 3.96Å
161S79Confident84.1Confident46 Ų4684 Ų8432%0.32246%0.456SS..  trans-124.5149.4170.579.70000111P159 E163 K164 L165P159-S161 PolarHBondContact O-N 3.5Å; S161-E163 PolarHBondContact O-N 3.42Å; S161-K164 PolarHBondContact O-N 2.7Å; S161-K164 VanDerWaalsContact O-N 3.14Å; S161-K164 WeakPolarHBondContact OG-CG 3.49Å; S161-K164 PolarHBondContact OG-N 3.48Å; S161-L165 PolarHBondContact O-N 2.79Å
162A77.6Confident84.1Confident82 Ų8277.2 Ų77.268%0.67843%0.425SS*.Hα-helixtrans-58.3-34.8-17600000113.2S166A162-S166 PolarHBondContact O-N 3.42Å
163E79Confident84.2Confident169 Ų16969.8 Ų69.879%0.7940%0.398SS*.Hα-helixtrans-68.8-45.6176.5-60.8-175.5158.700112.1S161 L165 S166 S167S161-E163 PolarHBondContact O-N 3.42Å; E163-L165 VanDerWaalsContact C-N 3.33Å; E163-L165 PolarHBondContact O-N 2.96Å; E163-S166 PolarHBondContact O-N 3.1Å; E163-S167 PolarHBondContact O-N 3.01Å
164K79.4Confident84.4Confident84 Ų8469.5 Ų69.537%0.36540%0.396SS..Hα-helixtrans-60.6-43.7174-69.9178.7-173.31760110.6P157 D158 P159 S161 S167 L168P157-K164 HydrophobicContact CB-CB 3.94Å; P157-K164 HydrophobicContact CB-CD 3.7Å; P157-K164 HydrophobicContact CB-CG 4.42Å; P157-K164 HydrophobicContact CG-CB 3.89Å; D158-K164 PolarHBondContact O-NZ 2.85Å; P159-K164 PolarHBondContact O-NZ 2.8Å; S161-K164 PolarHBondContact O-N 2.7Å; S161-K164 VanDerWaalsContact O-N 3.14Å; S161-K164 WeakPolarHBondContact OG-CG 3.49Å; S161-K164 PolarHBondContact OG-N 3.48Å; K164-S167 PolarHBondContact O-N 3.37Å; K164-L168 VanDerWaalsContact O-CB 3.3Å; K164-L168 WeakPolarHBondContact O-CB 3.45Å; K164-L168 PolarHBondContact O-N 2.87Å
165L83.8Confident84.3Confident37 Ų3768.2 Ų68.219%0.19439%0.393CS..Hα-helixtrans-59.7-45.9175.2-85.1169.3000112.3V160 S161 E163 S167 L168 E169 A207V160-L165 HydrophobicContact CG1-CD1 3.52Å; V160-L165 HydrophobicContact CG1-CD2 4.5Å; V160-L165 HydrophobicContact CG1-CG 3.96Å; S161-L165 PolarHBondContact O-N 2.79Å; E163-L165 VanDerWaalsContact C-N 3.33Å; E163-L165 PolarHBondContact O-N 2.96Å; L165-S167 VanDerWaalsContact C-N 3.33Å; L165-S167 PolarHBondContact O-N 2.78Å; L165-L168 PolarHBondContact O-N 2.88Å; L165-E169 PolarHBondContact O-N 2.83Å; L165-A207 HydrophobicContact CD2-CB 4.38Å
166S85.9Confident84.6Confident48 Ų4864.1 Ų64.134%0.33637%0.365SS..Hα-helixtrans-65.3-35.4178.6-171.40000112.7A162 E163 K170A162-S166 PolarHBondContact O-N 3.42Å; E163-S166 PolarHBondContact O-N 3.1Å; S166-K170 VanDerWaalsContact O-CD 3.31Å; S166-K170 WeakPolarHBondContact O-CD 3.08Å; S166-K170 VanDerWaalsContact O-CG 3.3Å; S166-K170 WeakPolarHBondContact O-CG 3.36Å; S166-K170 PolarHBondContact O-N 3.32Å; S166-K170 PolarHBondContact OG-NZ 3.44Å; S166-K170 VanDerWaalsContact OG-NZ 3.07Å
167S86.8Confident85Confident62 Ų6265.3 Ų65.343%0.43437%0.365SS..Hα-helixtrans-67.5-44.5172.7-169.70000111.4E163 K164 L165 K170 N171E163-S167 PolarHBondContact O-N 3.01Å; K164-S167 PolarHBondContact O-N 3.37Å; L165-S167 VanDerWaalsContact C-N 3.33Å; L165-S167 PolarHBondContact O-N 2.78Å; S167-K170 PolarHBondContact O-N 3.26Å; S167-N171 WeakPolarHBondContact O-CB 3.42Å; S167-N171 VanDerWaalsContact O-CG 3.25Å; S167-N171 PolarHBondContact O-N 2.84Å; S167-N171 PolarHBondContact O-ND2 2.94Å
168L89Confident85.4Confident21 Ų2170.4 Ų70.411%0.1139%0.386CS..Hα-helixtrans-62.1-44.1177.2-178.658.8000112.2W150 F154 S155 P157 K164 L165 K170 N171 F172 L203W150-L168 HydrophobicContact CH2-CD2 3.9Å; W150-L168 HydrophobicContact CH2-CG 4.38Å; W150-L168 HydrophobicContact CZ3-CD1 4.33Å; W150-L168 HydrophobicContact CZ3-CD2 4.32Å; W150-L168 HydrophobicContact CZ3-CG 4.3Å; F154-L168 HydrophobicContact CD1-CD1 3.68Å; F154-L168 HydrophobicContact CE1-CD1 4.45Å; S155-L168 WeakPolarHBondContact O-CD2 3.39Å; P157-L168 HydrophobicContact CG-CD2 3.85Å; K164-L168 VanDerWaalsContact O-CB 3.3Å; K164-L168 WeakPolarHBondContact O-CB 3.45Å; K164-L168 PolarHBondContact O-N 2.87Å; L165-L168 PolarHBondContact O-N 2.88Å; L168-K170 PolarHBondContact O-N 2.87Å; L168-N171 PolarHBondContact O-N 3.5Å; L168-F172 VanDerWaalsContact O-CB 3.27Å; L168-F172 WeakPolarHBondContact O-CB 3.48Å; L168-F172 PolarHBondContact O-N 2.9Å; L168-L203 HydrophobicContact CD2-CD1 4.3Å
169E91.4Very high86.1Confident59 Ų5967.2 Ų67.228%0.27637%0.366SS..Hα-helixtrans-56.2-51175.5-169.2-166.7130.400110.8L165 N171 F172 V173 K200 L203L165-E169 PolarHBondContact O-N 2.83Å; E169-N171 VanDerWaalsContact C-N 3.34Å; E169-N171 PolarHBondContact O-N 2.83Å; E169-F172 PolarHBondContact O-N 2.86Å; E169-V173 HydrophobicContact CG-CG2 4.14Å; E169-V173 VanDerWaalsContact O-CB 3.23Å; E169-V173 WeakPolarHBondContact O-CB 3.38Å; E169-V173 VanDerWaalsContact O-CG2 3.22Å; E169-V173 WeakPolarHBondContact O-CG2 3.34Å; E169-V173 PolarHBondContact O-N 2.56Å; E169-K200 HydrophobicContact CG-CG 4.19Å; E169-K200 WeakPolarHBondContact OE1-CD 3.48Å; E169-K200 WeakPolarHBondContact OE1-CE 3.42Å; E169-K200 WeakPolarHBondContact OE1-CG 3.41Å; E169-K200 IonicContact OE1-NZ 3.98Å; E169-L203 HydrophobicContact CB-CD2 3.53Å; E169-L203 HydrophobicContact CG-CD2 3.84Å
170K91.9Very high87Confident133 Ų13363.2 Ų63.258%0.57834%0.34SS*.Hα-helixtrans-60.1-43.8-179.4-70.6163.1-173.9154.20111.6S166 S167 L168 S174S166-K170 VanDerWaalsContact O-CD 3.31Å; S166-K170 WeakPolarHBondContact O-CD 3.08Å; S166-K170 VanDerWaalsContact O-CG 3.3Å; S166-K170 WeakPolarHBondContact O-CG 3.36Å; S166-K170 PolarHBondContact O-N 3.32Å; S166-K170 PolarHBondContact OG-NZ 3.44Å; S166-K170 VanDerWaalsContact OG-NZ 3.07Å; S167-K170 PolarHBondContact O-N 3.26Å; L168-K170 PolarHBondContact O-N 2.87Å; K170-S174 WeakPolarHBondContact O-CB 3.23Å; K170-S174 PolarHBondContact O-N 2.93Å
171N91.9Very high87.6Confident90 Ų9066.6 Ų66.648%0.48135%0.347SS..Hα-helixtrans-68.9-45.3-179.8-68.1-24.8000111.9F154 S167 L168 E169 S174 A175F154-N171 HydrophobicContact CE1-CB 4.1Å; S167-N171 WeakPolarHBondContact O-CB 3.42Å; S167-N171 VanDerWaalsContact O-CG 3.25Å; S167-N171 PolarHBondContact O-N 2.84Å; S167-N171 PolarHBondContact O-ND2 2.94Å; L168-N171 PolarHBondContact O-N 3.5Å; E169-N171 VanDerWaalsContact C-N 3.34Å; E169-N171 PolarHBondContact O-N 2.83Å; N171-S174 PolarHBondContact O-N 2.74Å; N171-A175 WeakPolarHBondContact O-CB 3.43Å; N171-A175 PolarHBondContact O-N 3.44Å
172F93.7Very high87.8Confident0 Ų067.3 Ų67.30%035%0.345CS..Hα-helixtrans-65.5-48.7178174.1-133000112.1M146 W150 F154 L168 E169 S174 A175 A176 A199 Y202M146-F172 HydrophobicContact CG-CE2 4.33Å; M146-F172 HydrophobicContact CG-CZ 3.79Å; M146-F172 HydrophobicContact SD-CZ 4.43Å; W150-F172 HydrophobicContact CB-CE2 3.74Å; W150-F172 HydrophobicContact CB-CZ 3.98Å; W150-F172 HydrophobicContact CE3-CB 4.46Å; W150-F172 AromaticContact CE3-CD1 3.81Å; W150-F172 HydrophobicContact CE3-CD1 3.81Å; W150-F172 AromaticContact CE3-CD2 3.79Å; W150-F172 HydrophobicContact CE3-CD2 3.79Å; W150-F172 AromaticContact CE3-CE1 3.89Å; W150-F172 HydrophobicContact CE3-CE1 3.89Å; W150-F172 AromaticContact CE3-CE2 3.88Å; W150-F172 HydrophobicContact CE3-CE2 3.88Å; W150-F172 AromaticContact CE3-CG 3.76Å; W150-F172 HydrophobicContact CE3-CG 3.76Å; W150-F172 AromaticContact CE3-CZ 3.92Å; W150-F172 HydrophobicContact CE3-CZ 3.92Å; W150-F172 HydrophobicContact CZ3-CB 4.39Å; W150-F172 AromaticContact CZ3-CD1 4Å; W150-F172 HydrophobicContact CZ3-CD1 4Å; W150-F172 HydrophobicContact CZ3-CE1 4.39Å; W150-F172 HydrophobicContact CZ3-CG 4.06Å; F154-F172 HydrophobicContact CD1-CB 4.19Å; F154-F172 AromaticContact CD2-CD2 3.84Å; F154-F172 HydrophobicContact CD2-CD2 3.84Å; F154-F172 HydrophobicContact CE1-CB 4.14Å; F154-F172 HydrophobicContact CE2-CD2 4.02Å; F154-F172 HydrophobicContact CG-CB 4.44Å; F154-F172 HydrophobicContact CG-CD2 4.25Å; F154-F172 HydrophobicContact CZ-CB 4.36Å; L168-F172 VanDerWaalsContact O-CB 3.27Å; L168-F172 WeakPolarHBondContact O-CB 3.48Å; L168-F172 PolarHBondContact O-N 2.9Å; E169-F172 PolarHBondContact O-N 2.86Å; F172-S174 VanDerWaalsContact C-N 3.32Å; F172-S174 PolarHBondContact O-N 2.71Å; F172-A175 PolarHBondContact O-N 2.93Å; F172-A176 HydrophobicContact CE2-CB 4.38Å; F172-A176 VanDerWaalsContact O-CB 3.27Å; F172-A176 WeakPolarHBondContact O-CB 3.27Å; F172-A176 PolarHBondContact O-N 3Å; F172-A199 HydrophobicContact CD1-CB 4.03Å; F172-A199 HydrophobicContact CE1-CB 3.64Å; F172-A199 HydrophobicContact CZ-CB 4.2Å; F172-Y202 HydrophobicContact CE1-CD1 4.11Å; F172-Y202 HydrophobicContact CZ-CD1 4.13Å
173V93.3Very high87.9Confident10 Ų1065.7 Ų65.76%0.06134%0.336CS..Hα-helixtrans-58.2-43.9175.8167.80000110.9E169 R177 E196 A199 K200E169-V173 HydrophobicContact CG-CG2 4.14Å; E169-V173 VanDerWaalsContact O-CB 3.23Å; E169-V173 WeakPolarHBondContact O-CB 3.38Å; E169-V173 VanDerWaalsContact O-CG2 3.22Å; E169-V173 WeakPolarHBondContact O-CG2 3.34Å; E169-V173 PolarHBondContact O-N 2.56Å; V173-R177 HydrophobicContact CG1-CG 4.39Å; V173-R177 WeakPolarHBondContact O-CB 3.47Å; V173-R177 WeakPolarHBondContact O-CG 3.44Å; V173-R177 PolarHBondContact O-N 3.32Å; V173-E196 HydrophobicContact CG1-CB 4.15Å; V173-E196 HydrophobicContact CG1-CG 3.69Å; V173-A199 HydrophobicContact CG2-CB 3.93Å; V173-K200 HydrophobicContact CG2-CG 4.05Å
174S92.5Very high87.7Confident55 Ų5561.6 Ų61.639%0.38532%0.324SS..Hα-helixtrans-62-48.6176.8-174.30000111.9K170 N171 F172 R177 Q178K170-S174 WeakPolarHBondContact O-CB 3.23Å; K170-S174 PolarHBondContact O-N 2.93Å; N171-S174 PolarHBondContact O-N 2.74Å; F172-S174 VanDerWaalsContact C-N 3.32Å; F172-S174 PolarHBondContact O-N 2.71Å; S174-R177 PolarHBondContact O-N 2.97Å; S174-Q178 WeakPolarHBondContact O-CG 3.36Å; S174-Q178 PolarHBondContact O-N 3.03Å; S174-Q178 PolarHBondContact OG-NE2 3.43Å
175A90.4Very high87.6Confident18 Ų1863.1 Ų63.115%0.14934%0.34CS..Hα-helixtrans-64.4-41.4179.300000112.6F154 N171 F172 Q178 Q179F154-A175 HydrophobicContact CE2-CB 3.7Å; F154-A175 HydrophobicContact CZ-CB 3.54Å; N171-A175 WeakPolarHBondContact O-CB 3.43Å; N171-A175 PolarHBondContact O-N 3.44Å; F172-A175 PolarHBondContact O-N 2.93Å; A175-Q178 PolarHBondContact O-N 2.91Å; A175-Q179 WeakPolarHBondContact O-CB 3.45Å; A175-Q179 WeakPolarHBondContact O-CG 2.88Å; A175-Q179 PolarHBondContact O-N 2.87Å
176A91.1Very high87.1Confident0 Ų064.6 Ų64.60%035%0.354CS..Hα-helixtrans-64.8-45.7177.400000111.5M146 F172 Q178 Q179 V180 V195M146-A176 HydrophobicContact CG-CB 4.42Å; F172-A176 HydrophobicContact CE2-CB 4.38Å; F172-A176 VanDerWaalsContact O-CB 3.27Å; F172-A176 WeakPolarHBondContact O-CB 3.27Å; F172-A176 PolarHBondContact O-N 3Å; A176-Q178 PolarHBondContact O-N 2.73Å; A176-Q179 PolarHBondContact O-N 3.29Å; A176-V180 HydrophobicContact CB-CG2 4.49Å; A176-V180 VanDerWaalsContact O-CB 3.31Å; A176-V180 WeakPolarHBondContact O-CB 3.29Å; A176-V180 WeakPolarHBondContact O-CG2 3.46Å; A176-V180 PolarHBondContact O-N 3.48Å; A176-V195 HydrophobicContact CB-CG1 3.62Å
177R92.8Very high87.2Confident97 Ų9762.4 Ų62.437%0.36634%0.338SS..Hα-helixtrans-63-19.9176.2-72.3174.476.3167.513.7114.3V173 S174 K192 E196V173-R177 HydrophobicContact CG1-CG 4.39Å; V173-R177 WeakPolarHBondContact O-CB 3.47Å; V173-R177 WeakPolarHBondContact O-CG 3.44Å; V173-R177 PolarHBondContact O-N 3.32Å; S174-R177 PolarHBondContact O-N 2.97Å; R177-K192 HydrophobicContact CG-CB 4.49Å; R177-E196 HydrophobicContact CG-CB 4.35Å; R177-E196 IonicContact CZ-OE2 3.07Å; R177-E196 IonicContact NE-OE2 3.59Å; R177-E196 IonicContact NH1-OE2 2.64Å; R177-E196 PolarHBondContact NH1-OE2 2.76Å; R177-E196 IonicContact NH2-OE2 3.67Å
178Q88.6Confident87Confident134 Ų13461.1 Ų61.163%0.62633%0.332SS*.Hα-helixtrans-93.2-40.9176.5-68.8179.440.600112.7S174 A175 A176S174-Q178 WeakPolarHBondContact O-CG 3.36Å; S174-Q178 PolarHBondContact O-N 3.03Å; S174-Q178 PolarHBondContact OG-NE2 3.43Å; A175-Q178 PolarHBondContact O-N 2.91Å; A176-Q178 PolarHBondContact O-N 2.73Å
179Q87.6Confident87Confident82 Ų8264 Ų6438%0.38335%0.347SS..Hα-helixtrans-90.4-34.6-172.9-67.5-178.590.900113.5V149 A175 A176 K181V149-Q179 HydrophobicContact CG2-CB 3.92Å; A175-Q179 WeakPolarHBondContact O-CB 3.45Å; A175-Q179 WeakPolarHBondContact O-CG 2.88Å; A175-Q179 PolarHBondContact O-N 2.87Å; A176-Q179 PolarHBondContact O-N 3.29Å; Q179-K181 PolarHBondContact O-N 3.28Å
180V88.6Confident87.1Confident8 Ų861.2 Ų61.25%0.04833%0.334CS..  trans-77.3106.7179.3-1770000110L142 R145 M146 V149 A176 V195L142-V180 HydrophobicContact CD2-CG1 3.94Å; R145-V180 HydrophobicContact CB-CG1 3.78Å; R145-V180 HydrophobicContact CB-CG2 4.25Å; M146-V180 HydrophobicContact CB-CG2 4.26Å; V149-V180 HydrophobicContact CG2-CG2 4.15Å; A176-V180 HydrophobicContact CB-CG2 4.49Å; A176-V180 VanDerWaalsContact O-CB 3.31Å; A176-V180 WeakPolarHBondContact O-CB 3.29Å; A176-V180 WeakPolarHBondContact O-CG2 3.46Å; A176-V180 PolarHBondContact O-N 3.48Å; V180-V195 HydrophobicContact CB-CG1 4.32Å; V180-V195 HydrophobicContact CB-CG2 3.95Å; V180-V195 HydrophobicContact CG1-CG2 3.67Å; V180-V195 HydrophobicContact CG2-CG1 4.38Å
181K86.3Confident87.1Confident163 Ų16355.1 Ų55.171%0.70931%0.308SS*.  trans-118.9127.6175.1-64.1175.7-176.4174.50109.5Q179Q179-K181 PolarHBondContact O-N 3.28Å
182F82.6Confident87.2Confident62 Ų6255.3 Ų55.327%0.27231%0.305SS..  trans-156.9140.7178.8-173.6-126.6000111.2Y138 N141 L142 T191Y138-F182 HydrophobicContact CD1-CD1 4.34Å; Y138-F182 AromaticContact CD2-CD1 3.7Å; Y138-F182 HydrophobicContact CD2-CD1 3.7Å; Y138-F182 AromaticContact CD2-CE1 3.37Å; Y138-F182 HydrophobicContact CD2-CE1 3.37Å; Y138-F182 HydrophobicContact CD2-CZ 4.43Å; Y138-F182 HydrophobicContact CE1-CD1 4.12Å; Y138-F182 AromaticContact CE2-CD1 3.41Å; Y138-F182 HydrophobicContact CE2-CD1 3.41Å; Y138-F182 VanDerWaalsContact CE2-CD1 3.41Å; Y138-F182 AromaticContact CE2-CE1 3.54Å; Y138-F182 HydrophobicContact CE2-CE1 3.54Å; Y138-F182 HydrophobicContact CE2-CG 4.39Å; Y138-F182 HydrophobicContact CG-CD1 4.15Å; Y138-F182 AromaticContact CG-CE1 3.9Å; Y138-F182 HydrophobicContact CG-CE1 3.9Å; Y138-F182 AromaticContact CZ-CD1 3.64Å; Y138-F182 PolarHBondContact OH-O 3.18Å; N141-F182 HydrophobicContact CB-CD1 4.22Å; N141-F182 HydrophobicContact CB-CE1 3.71Å; N141-F182 HydrophobicContact CB-CZ 3.89Å; N141-F182 WeakPolarHBondContact OD1-CD2 3.25Å; N141-F182 VanDerWaalsContact OD1-CE2 3.24Å; N141-F182 WeakPolarHBondContact OD1-CE2 3.44Å; N141-F182 WeakPolarHBondContact OD1-CZ 3.3Å; L142-F182 HydrophobicContact CD2-CB 3.87Å; L142-F182 HydrophobicContact CD2-CD1 4.15Å; L142-F182 HydrophobicContact CD2-CG 4.47Å; F182-T191 PolarHBondContact O-OG1 3.01Å
183G79.3Confident87.3Confident48 Ų4857.5 Ų57.550%0.49531%0.313SS..SBendtrans73.8-175.9-178.100000115.5
184P74.9Confident87.4Confident82 Ų8258.3 Ų58.353%0.53232%0.315SS..  trans-66.4157.3-178.1-23.635000114.9S186 V187P184-S186 PolarHBondContact O-N 3Å; P184-V187 WeakPolarHBondContact O-CG2 3.11Å; P184-V187 PolarHBondContact O-N 3.17Å; P184-V187 VanDerWaalsContact O-N 3.14Å
185T77.1Confident87.5Confident116 Ų11655.7 Ų55.771%0.71230%0.297SS*.G310 helixtrans-61.6-27.9177.149.50000113.8V187 A188T185-V187 PolarHBondContact O-N 3.04Å; T185-A188 VanDerWaalsContact O-CB 3.29Å; T185-A188 WeakPolarHBondContact O-CB 3.26Å; T185-A188 PolarHBondContact O-N 3.38Å
186S73.4Confident87.8Confident69 Ų6957.1 Ų57.148%0.48330%0.3SS..G310 helixtrans-66.8-16176.752.50000114.8S107 P184S107-S186 PolarHBondContact OG-O 2.8Å; S107-S186 VanDerWaalsContact OG-O 3.08Å; P184-S186 PolarHBondContact O-N 3Å
187V87.4Confident87.9Confident1 Ų159.7 Ų59.71%0.00631%0.313CS..G310 helixtrans-110.46.4175.9-60.10000113V106 S107 Y110 P184 T185 D189 F190 T191V106-V187 HydrophobicContact CG1-CG1 3.96Å; S107-V187 WeakPolarHBondContact OG-CA 3.46Å; Y110-V187 HydrophobicContact CD1-CG1 4.48Å; Y110-V187 HydrophobicContact CD2-CB 4.22Å; Y110-V187 HydrophobicContact CD2-CG1 3.76Å; Y110-V187 HydrophobicContact CE1-CG1 4.33Å; Y110-V187 HydrophobicContact CE2-CB 4.31Å; Y110-V187 HydrophobicContact CE2-CG1 3.6Å; Y110-V187 HydrophobicContact CG-CG1 4.22Å; P184-V187 WeakPolarHBondContact O-CG2 3.11Å; P184-V187 PolarHBondContact O-N 3.17Å; P184-V187 VanDerWaalsContact O-N 3.14Å; T185-V187 PolarHBondContact O-N 3.04Å; V187-D189 PolarHBondContact O-N 3.46Å; V187-D189 VanDerWaalsContact O-N 3.13Å; V187-F190 WeakPolarHBondContact O-CA 3.13Å; V187-F190 WeakPolarHBondContact O-CB 3.46Å; V187-F190 PolarHBondContact O-N 2.8Å; V187-T191 PolarHBondContact O-N 2.98Å; V187-T191 PolarHBondContact O-OG1 2.84Å
188A83.3Confident87.9Confident36 Ų3655.1 Ų55.130%0.29830%0.296SS..Hα-helixtrans-63.6-21.3-173.400000114.5T185 K192T185-A188 VanDerWaalsContact O-CB 3.29Å; T185-A188 WeakPolarHBondContact O-CB 3.26Å; T185-A188 PolarHBondContact O-N 3.38Å; A188-K192 WeakPolarHBondContact O-CD 3.41Å; A188-K192 VanDerWaalsContact O-CG 3.3Å; A188-K192 WeakPolarHBondContact O-CG 3.33Å; A188-K192 PolarHBondContact O-N 3.28Å
189D89.9Confident88.2Confident82 Ų8248.8 Ų48.844%0.43927%0.266SS..Hα-helixtrans-73.9-48.2170.9-174.967.7000111.1K111 V187 T191 K192 W193K111-D189 VanDerWaalsContact CE-OD2 3.23Å; K111-D189 WeakPolarHBondContact CE-OD2 3.44Å; K111-D189 IonicContact NZ-OD2 2.7Å; K111-D189 PolarHBondContact NZ-OD2 2.96Å; V187-D189 PolarHBondContact O-N 3.46Å; V187-D189 VanDerWaalsContact O-N 3.13Å; D189-T191 VanDerWaalsContact C-N 3.3Å; D189-T191 PolarHBondContact O-N 2.93Å; D189-K192 PolarHBondContact O-N 3.31Å; D189-W193 WeakPolarHBondContact O-CB 3.28Å; D189-W193 PolarHBondContact O-N 3.05Å
190F93.5Very high88.4Confident0 Ų047.5 Ų47.50%026%0.26CS..Hα-helixtrans-56.3-42.3170.4165.5-100.8000112.4S107 Y110 K111 V114 L134 Y138 V187 K192 W193 R194S107-F190 PolarHBondContact OG-N 3.07Å; Y110-F190 VanDerWaalsContact C-CE2 3.49Å; Y110-F190 AromaticContact CD2-CD1 3.75Å; Y110-F190 HydrophobicContact CD2-CD1 3.75Å; Y110-F190 AromaticContact CD2-CE1 3.82Å; Y110-F190 HydrophobicContact CD2-CE1 3.82Å; Y110-F190 HydrophobicContact CD2-CG 4.37Å; Y110-F190 HydrophobicContact CG-CD1 4.26Å; Y110-F190 HydrophobicContact CG-CE1 4.46Å; Y110-F190 HydrophobicContact CG-CG 4.45Å; Y110-F190 VanDerWaalsContact O-CE2 3.24Å; Y110-F190 WeakPolarHBondContact O-CE2 3.38Å; K111-F190 HydrophobicContact CG-CD2 4.04Å; V114-F190 HydrophobicContact CB-CE2 4.45Å; V114-F190 HydrophobicContact CG2-CE2 3.79Å; V114-F190 HydrophobicContact CG2-CZ 3.84Å; L134-F190 HydrophobicContact CD2-CE1 4.11Å; L134-F190 HydrophobicContact CD2-CZ 4.37Å; Y138-F190 AromaticContact CD1-CE1 3.74Å; Y138-F190 HydrophobicContact CD1-CE1 3.74Å; Y138-F190 HydrophobicContact CD1-CZ 4.42Å; Y138-F190 HydrophobicContact CE1-CD1 4.04Å; Y138-F190 AromaticContact CE1-CE1 3.46Å; Y138-F190 HydrophobicContact CE1-CE1 3.46Å; Y138-F190 VanDerWaalsContact CE1-CE1 3.46Å; Y138-F190 HydrophobicContact CE1-CZ 4.48Å; V187-F190 WeakPolarHBondContact O-CA 3.13Å; V187-F190 WeakPolarHBondContact O-CB 3.46Å; V187-F190 PolarHBondContact O-N 2.8Å; F190-K192 PolarHBondContact O-N 3.35Å; F190-W193 AromaticContact CD2-CE3 3.82Å; F190-W193 HydrophobicContact CD2-CE3 3.82Å; F190-W193 HydrophobicContact CD2-CZ3 4.04Å; F190-W193 HydrophobicContact CE2-CE3 4.07Å; F190-W193 AromaticContact CE2-CZ3 3.88Å; F190-W193 HydrophobicContact CE2-CZ3 3.88Å; F190-W193 PolarHBondContact O-N 2.82Å; F190-R194 HydrophobicContact CE2-CB 4.34Å; F190-R194 HydrophobicContact CZ-CB 4.4Å; F190-R194 WeakPolarHBondContact O-CB 3.29Å; F190-R194 PolarHBondContact O-N 3.38Å
191T91.4Very high88.6Confident4 Ų450.5 Ų50.53%0.02527%0.273CS..Hα-helixtrans-55.8-50175.3-49.30000111Y138 L142 F182 V187 D189 V195Y138-T191 PolarHBondContact OH-OG1 2.85Å; L142-T191 HydrophobicContact CD2-CG2 3.79Å; F182-T191 PolarHBondContact O-OG1 3.01Å; V187-T191 PolarHBondContact O-N 2.98Å; V187-T191 PolarHBondContact O-OG1 2.84Å; D189-T191 VanDerWaalsContact C-N 3.3Å; D189-T191 PolarHBondContact O-N 2.93Å; T191-V195 WeakPolarHBondContact O-CB 3.38Å; T191-V195 WeakPolarHBondContact O-CG2 3.32Å; T191-V195 PolarHBondContact O-N 2.82Å
192K93.4Very high88.9Confident94 Ų9444.8 Ų44.841%0.40925%0.248SC..Hα-helixtrans-65.1-42.3178.9-73.3169-178176.10112.3R177 A188 D189 F190 E196R177-K192 HydrophobicContact CG-CB 4.49Å; A188-K192 WeakPolarHBondContact O-CD 3.41Å; A188-K192 VanDerWaalsContact O-CG 3.3Å; A188-K192 WeakPolarHBondContact O-CG 3.33Å; A188-K192 PolarHBondContact O-N 3.28Å; D189-K192 PolarHBondContact O-N 3.31Å; F190-K192 PolarHBondContact O-N 3.35Å; K192-E196 WeakPolarHBondContact O-CB 3.2Å; K192-E196 PolarHBondContact O-N 3.11Å
193W95.6Very high89.2Confident46 Ų4642.3 Ų42.317%0.17424%0.237CC..Hα-helixtrans-63-46.2178.1172.188.2000111.7K111 V114 L115 D189 F190 E196 I197K111-W193 HydrophobicContact CB-CH2 4.32Å; K111-W193 HydrophobicContact CB-CZ2 4.5Å; K111-W193 HydrophobicContact CB-CZ3 4.33Å; K111-W193 HydrophobicContact CD-CD2 4.4Å; K111-W193 HydrophobicContact CG-CD2 3.9Å; K111-W193 HydrophobicContact CG-CE3 3.85Å; K111-W193 HydrophobicContact CG-CG 4.44Å; K111-W193 HydrophobicContact CG-CH2 4.44Å; K111-W193 HydrophobicContact CG-CZ2 4.45Å; K111-W193 HydrophobicContact CG-CZ3 4.14Å; V114-W193 HydrophobicContact CB-CZ3 4.43Å; V114-W193 HydrophobicContact CG1-CH2 4.5Å; V114-W193 HydrophobicContact CG1-CZ3 4.42Å; L115-W193 HydrophobicContact CD1-CH2 4.33Å; L115-W193 HydrophobicContact CD1-CZ2 4.13Å; L115-W193 HydrophobicContact CD2-CH2 3.98Å; L115-W193 HydrophobicContact CD2-CZ2 3.88Å; L115-W193 HydrophobicContact CG-CH2 3.84Å; L115-W193 HydrophobicContact CG-CZ2 3.99Å; D189-W193 WeakPolarHBondContact O-CB 3.28Å; D189-W193 PolarHBondContact O-N 3.05Å; F190-W193 AromaticContact CD2-CE3 3.82Å; F190-W193 HydrophobicContact CD2-CE3 3.82Å; F190-W193 HydrophobicContact CD2-CZ3 4.04Å; F190-W193 HydrophobicContact CE2-CE3 4.07Å; F190-W193 AromaticContact CE2-CZ3 3.88Å; F190-W193 HydrophobicContact CE2-CZ3 3.88Å; F190-W193 PolarHBondContact O-N 2.82Å; W193-E196 PolarHBondContact O-N 2.87Å; W193-I197 HydrophobicContact CD2-CD1 3.9Å; W193-I197 VanDerWaalsContact CE2-CD1 3.47Å; W193-I197 HydrophobicContact CE3-CD1 4.2Å; W193-I197 HydrophobicContact CH2-CD1 3.72Å; W193-I197 HydrophobicContact CZ2-CD1 3.39Å; W193-I197 HydrophobicContact CZ3-CD1 4.11Å; W193-I197 WeakPolarHBondContact O-CG1 3.48Å; W193-I197 PolarHBondContact O-N 2.62Å; W193-I197 VanDerWaalsContact O-N 3.15Å
194R95.2Very high89.6Confident28 Ų2847.3 Ų47.311%0.10624%0.241CC..Hα-helixtrans-71.3-36.3178.9-173.554.6175.5143.2-2.4112.1S139 L142 F190 I197 L198 E201S139-R194 PolarHBondContact OG-NE 2.88Å; S139-R194 VanDerWaalsContact OG-NE 3.09Å; L142-R194 HydrophobicContact CD1-CB 3.84Å; L142-R194 HydrophobicContact CD1-CG 3.75Å; F190-R194 HydrophobicContact CE2-CB 4.34Å; F190-R194 HydrophobicContact CZ-CB 4.4Å; F190-R194 WeakPolarHBondContact O-CB 3.29Å; F190-R194 PolarHBondContact O-N 3.38Å; R194-I197 PolarHBondContact O-N 2.66Å; R194-L198 HydrophobicContact CG-CD1 3.97Å; R194-L198 HydrophobicContact CG-CG 4.35Å; R194-L198 WeakPolarHBondContact O-CB 3.29Å; R194-L198 VanDerWaalsContact O-CG 3.26Å; R194-L198 WeakPolarHBondContact O-CG 3.37Å; R194-L198 PolarHBondContact O-N 3Å; R194-E201 IonicContact CZ-OE1 3.91Å; R194-E201 IonicContact NH1-OE1 2.84Å; R194-E201 PolarHBondContact NH1-OE1 2.85Å; R194-E201 IonicContact NH1-OE2 4Å
195V95.6Very high90.3Very high0 Ų046.9 Ų46.90%024%0.24CC..Hα-helixtrans-61.8-41.1171.3167.30000111.5L142 A176 V180 T191 I197 L198 A199L142-V195 HydrophobicContact CB-CG2 4.25Å; L142-V195 HydrophobicContact CD1-CG2 4.13Å; L142-V195 HydrophobicContact CD2-CG2 3.95Å; L142-V195 HydrophobicContact CG-CG2 4.33Å; A176-V195 HydrophobicContact CB-CG1 3.62Å; V180-V195 HydrophobicContact CB-CG1 4.32Å; V180-V195 HydrophobicContact CB-CG2 3.95Å; V180-V195 HydrophobicContact CG1-CG2 3.67Å; V180-V195 HydrophobicContact CG2-CG1 4.38Å; T191-V195 WeakPolarHBondContact O-CB 3.38Å; T191-V195 WeakPolarHBondContact O-CG2 3.32Å; T191-V195 PolarHBondContact O-N 2.82Å; V195-I197 VanDerWaalsContact C-N 3.34Å; V195-I197 PolarHBondContact O-N 2.71Å; V195-L198 PolarHBondContact O-N 2.96Å; V195-A199 VanDerWaalsContact O-CB 3.23Å; V195-A199 WeakPolarHBondContact O-CB 3.48Å; V195-A199 PolarHBondContact O-N 2.83Å
196E95.5Very high90.7Very high48 Ų4844 Ų4422%0.22422%0.22CC..Hα-helixtrans-61.1-42.1175.6175.3163.9176.900112.3V173 R177 K192 W193 K200V173-E196 HydrophobicContact CG1-CB 4.15Å; V173-E196 HydrophobicContact CG1-CG 3.69Å; R177-E196 HydrophobicContact CG-CB 4.35Å; R177-E196 IonicContact CZ-OE2 3.07Å; R177-E196 IonicContact NE-OE2 3.59Å; R177-E196 IonicContact NH1-OE2 2.64Å; R177-E196 PolarHBondContact NH1-OE2 2.76Å; R177-E196 IonicContact NH2-OE2 3.67Å; K192-E196 WeakPolarHBondContact O-CB 3.2Å; K192-E196 PolarHBondContact O-N 3.11Å; W193-E196 PolarHBondContact O-N 2.87Å; E196-K200 HydrophobicContact CG-CD 4.46Å; E196-K200 WeakPolarHBondContact O-CG 3.38Å; E196-K200 PolarHBondContact O-N 2.9Å; E196-K200 WeakPolarHBondContact OE1-CE 3.45Å; E196-K200 IonicContact OE1-NZ 2.82Å; E196-K200 PolarHBondContact OE1-NZ 2.81Å
197I93.4Very high91Very high54 Ų5443.1 Ų43.128%0.27722%0.216SC..Hα-helixtrans-66.5-50.9176.8-66169.6000110.4W193 R194 V195 A199 K200 E201W193-I197 HydrophobicContact CD2-CD1 3.9Å; W193-I197 VanDerWaalsContact CE2-CD1 3.47Å; W193-I197 HydrophobicContact CE3-CD1 4.2Å; W193-I197 HydrophobicContact CH2-CD1 3.72Å; W193-I197 HydrophobicContact CZ2-CD1 3.39Å; W193-I197 HydrophobicContact CZ3-CD1 4.11Å; W193-I197 WeakPolarHBondContact O-CG1 3.48Å; W193-I197 PolarHBondContact O-N 2.62Å; W193-I197 VanDerWaalsContact O-N 3.15Å; R194-I197 PolarHBondContact O-N 2.66Å; V195-I197 VanDerWaalsContact C-N 3.34Å; V195-I197 PolarHBondContact O-N 2.71Å; I197-A199 VanDerWaalsContact C-N 3.26Å; I197-A199 PolarHBondContact O-N 2.97Å; I197-K200 PolarHBondContact O-N 2.79Å; I197-K200 VanDerWaalsContact O-N 3.13Å; I197-E201 HydrophobicContact CG2-CG 4.35Å; I197-E201 VanDerWaalsContact CG2-OE1 3.29Å; I197-E201 WeakPolarHBondContact CG2-OE1 3.48Å; I197-E201 WeakPolarHBondContact O-CG 3.41Å; I197-E201 PolarHBondContact O-N 2.81Å
198L94.4Very high90.5Very high1 Ų149.3 Ų49.31%0.00525%0.245CC..Hα-helixtrans-59.1-35.3179.4-72167.4000112.5S139 L142 M146 R194 V195 E201 Y202S139-L198 WeakPolarHBondContact O-CD1 3.47Å; L142-L198 HydrophobicContact CB-CD1 3.65Å; L142-L198 HydrophobicContact CD1-CD1 4.26Å; M146-L198 HydrophobicContact CE-CB 4.27Å; M146-L198 HydrophobicContact SD-CB 3.62Å; R194-L198 HydrophobicContact CG-CD1 3.97Å; R194-L198 HydrophobicContact CG-CG 4.35Å; R194-L198 WeakPolarHBondContact O-CB 3.29Å; R194-L198 VanDerWaalsContact O-CG 3.26Å; R194-L198 WeakPolarHBondContact O-CG 3.37Å; R194-L198 PolarHBondContact O-N 3Å; V195-L198 PolarHBondContact O-N 2.96Å; L198-E201 WeakPolarHBondContact CD2-OE2 3.32Å; L198-Y202 VanDerWaalsContact O-CB 3.24Å; L198-Y202 WeakPolarHBondContact O-CB 3.27Å; L198-Y202 PolarHBondContact O-N 3.44Å
199A93.6Very high89.2Confident0 Ų053 Ų530%027%0.266CS..Hα-helixtrans-69.1-35.6178.600000112.2M146 F172 V173 V195 I197 L203M146-A199 HydrophobicContact CG-CB 4.48Å; M146-A199 WeakPolarHBondContact SD-CA 3.43Å; M146-A199 HydrophobicContact SD-CB 3.86Å; M146-A199 PolarHBondContact SD-N 2.07Å; F172-A199 HydrophobicContact CD1-CB 4.03Å; F172-A199 HydrophobicContact CE1-CB 3.64Å; F172-A199 HydrophobicContact CZ-CB 4.2Å; V173-A199 HydrophobicContact CG2-CB 3.93Å; V195-A199 VanDerWaalsContact O-CB 3.23Å; V195-A199 WeakPolarHBondContact O-CB 3.48Å; V195-A199 PolarHBondContact O-N 2.83Å; I197-A199 VanDerWaalsContact C-N 3.26Å; I197-A199 PolarHBondContact O-N 2.97Å; A199-L203 WeakPolarHBondContact O-CB 3.14Å; A199-L203 PolarHBondContact O-N 3.28Å
200K92.6Very high87.1Confident55 Ų5558 Ų5824%0.23928%0.284CS..Hα-helixtrans-76.2-37.9175.3-66.2176.2-169.4176.50112.3E169 V173 E196 I197 R204E169-K200 HydrophobicContact CG-CG 4.19Å; E169-K200 WeakPolarHBondContact OE1-CD 3.48Å; E169-K200 WeakPolarHBondContact OE1-CE 3.42Å; E169-K200 WeakPolarHBondContact OE1-CG 3.41Å; E169-K200 IonicContact OE1-NZ 3.98Å; V173-K200 HydrophobicContact CG2-CG 4.05Å; E196-K200 HydrophobicContact CG-CD 4.46Å; E196-K200 WeakPolarHBondContact O-CG 3.38Å; E196-K200 PolarHBondContact O-N 2.9Å; E196-K200 WeakPolarHBondContact OE1-CE 3.45Å; E196-K200 IonicContact OE1-NZ 2.82Å; E196-K200 PolarHBondContact OE1-NZ 2.81Å; I197-K200 PolarHBondContact O-N 2.79Å; I197-K200 VanDerWaalsContact O-N 3.13Å; K200-R204 VanDerWaalsContact O-CG 3.31Å; K200-R204 WeakPolarHBondContact O-CG 3.48Å; K200-R204 PolarHBondContact O-N 2.79Å
201E92.7Very high84.6Confident72 Ų7267 Ų6734%0.33633%0.326SS..Hα-helixtrans-56.1-51.3168.5-71.2172.2-161.600110.1R143 R194 I197 L198 R204 S205R143-E201 IonicContact NH2-OE2 3.26Å; R143-E201 PolarHBondContact NH2-OE2 2.98Å; R194-E201 IonicContact CZ-OE1 3.91Å; R194-E201 IonicContact NH1-OE1 2.84Å; R194-E201 PolarHBondContact NH1-OE1 2.85Å; R194-E201 IonicContact NH1-OE2 4Å; I197-E201 HydrophobicContact CG2-CG 4.35Å; I197-E201 VanDerWaalsContact CG2-OE1 3.29Å; I197-E201 WeakPolarHBondContact CG2-OE1 3.48Å; I197-E201 WeakPolarHBondContact O-CG 3.41Å; I197-E201 PolarHBondContact O-N 2.81Å; L198-E201 WeakPolarHBondContact CD2-OE2 3.32Å; E201-R204 PolarHBondContact O-N 2.9Å; E201-S205 PolarHBondContact O-N 3.39Å
202Y92Very high82.1Confident43 Ų4373.5 Ų73.517%0.16936%0.361CS..Hα-helixtrans-65.6-44.6-176.3-177.7-115.5000113.3M146 I147 W150 F172 L198 R204 S205 L206M146-Y202 HydrophobicContact CE-CD1 4.09Å; M146-Y202 HydrophobicContact CE-CG 3.84Å; I147-Y202 HydrophobicContact CD1-CE2 4.09Å; I147-Y202 HydrophobicContact CG1-CD2 4.35Å; I147-Y202 HydrophobicContact CG1-CE1 4.26Å; I147-Y202 HydrophobicContact CG1-CE2 3.92Å; W150-Y202 HydrophobicContact CB-CE1 4.07Å; W150-Y202 AromaticContact CD1-CE1 3.86Å; W150-Y202 HydrophobicContact CD2-CE1 4.03Å; W150-Y202 AromaticContact CG-CE1 3.74Å; W150-Y202 HydrophobicContact CG-CE1 3.74Å; F172-Y202 HydrophobicContact CE1-CD1 4.11Å; F172-Y202 HydrophobicContact CZ-CD1 4.13Å; L198-Y202 VanDerWaalsContact O-CB 3.24Å; L198-Y202 WeakPolarHBondContact O-CB 3.27Å; L198-Y202 PolarHBondContact O-N 3.44Å; Y202-R204 VanDerWaalsContact C-N 3.27Å; Y202-R204 PolarHBondContact O-N 2.79Å; Y202-S205 WeakPolarHBondContact CA-OG 3.43Å; Y202-S205 PolarHBondContact O-N 2.96Å; Y202-S205 PolarHBondContact O-OG 2.98Å; Y202-L206 HydrophobicContact CD1-CD1 4.1Å; Y202-L206 HydrophobicContact CE1-CD1 3.59Å; Y202-L206 HydrophobicContact CE1-CG 4.45Å; Y202-L206 HydrophobicContact CE2-CD1 4.32Å; Y202-L206 HydrophobicContact CE2-CG 4.39Å; Y202-L206 PolarHBondContact O-N 3.28Å
203L89.5Confident79.3Confident9 Ų974.5 Ų74.55%0.04738%0.38CS..Hα-helixtrans-62-34.1178.6-174.166.6000112.5W150 L156 L168 E169 A199 L206 A207W150-L203 HydrophobicContact CH2-CD1 3.6Å; W150-L203 HydrophobicContact CZ3-CD1 3.81Å; L156-L203 HydrophobicContact CD2-CD1 4.46Å; L168-L203 HydrophobicContact CD2-CD1 4.3Å; E169-L203 HydrophobicContact CB-CD2 3.53Å; E169-L203 HydrophobicContact CG-CD2 3.84Å; A199-L203 WeakPolarHBondContact O-CB 3.14Å; A199-L203 PolarHBondContact O-N 3.28Å; L203-L206 PolarHBondContact O-N 2.81Å; L203-A207 WeakPolarHBondContact O-CB 3.31Å; L203-A207 PolarHBondContact O-N 2.86Å
204R87.8Confident76.4Confident153 Ų15379.9 Ų79.958%0.57741%0.412SS*.Hα-helixtrans-66.3-46.6174.2-69.7171.3-170.3-1791.5111.6K200 E201 Y202 L206 A207 E208K200-R204 VanDerWaalsContact O-CG 3.31Å; K200-R204 WeakPolarHBondContact O-CG 3.48Å; K200-R204 PolarHBondContact O-N 2.79Å; E201-R204 PolarHBondContact O-N 2.9Å; Y202-R204 VanDerWaalsContact C-N 3.27Å; Y202-R204 PolarHBondContact O-N 2.79Å; R204-L206 PolarHBondContact O-N 3.47Å; R204-A207 PolarHBondContact O-N 3.08Å; R204-E208 PolarHBondContact O-N 2.94Å
205S89.5Confident73.6Confident74 Ų7486.6 Ų86.652%0.51745%0.45SS..Hα-helixtrans-64.5-7175.764.20000115.1E201 Y202E201-S205 PolarHBondContact O-N 3.39Å; Y202-S205 WeakPolarHBondContact CA-OG 3.43Å; Y202-S205 PolarHBondContact O-N 2.96Å; Y202-S205 PolarHBondContact O-OG 2.98Å
206L85.6Confident70.5Confident56 Ų5695 Ų9529%0.29349%0.489SS..THydrogen-bonded Turntrans-104.1-11.4170.7-67.3-179.7000113.5W150 L156 Y202 L203 R204W150-L206 HydrophobicContact CD2-CD1 4.46Å; W150-L206 HydrophobicContact CH2-CD1 4.27Å; W150-L206 HydrophobicContact CZ2-CD1 3.56Å; L156-L206 HydrophobicContact CD1-CB 4.35Å; L156-L206 VanDerWaalsContact CD1-O 3.28Å; L156-L206 WeakPolarHBondContact CD1-O 3.25Å; L156-L206 HydrophobicContact CD2-CB 4.11Å; Y202-L206 HydrophobicContact CD1-CD1 4.1Å; Y202-L206 HydrophobicContact CE1-CD1 3.59Å; Y202-L206 HydrophobicContact CE1-CG 4.45Å; Y202-L206 HydrophobicContact CE2-CD1 4.32Å; Y202-L206 HydrophobicContact CE2-CG 4.39Å; Y202-L206 PolarHBondContact O-N 3.28Å; L203-L206 PolarHBondContact O-N 2.81Å; R204-L206 PolarHBondContact O-N 3.47Å
207A78.9Confident67.6Low49 Ų4997.3 Ų97.341%0.40552%0.516SS..THydrogen-bonded Turntrans-108.2-21.1-177.200000113L165 L203 R204L165-A207 HydrophobicContact CD2-CB 4.38Å; L203-A207 WeakPolarHBondContact O-CB 3.31Å; L203-A207 PolarHBondContact O-N 2.86Å; R204-A207 PolarHBondContact O-N 3.08Å
208E76.8Confident64.5Low131 Ų131103.1 Ų103.161%0.61254%0.542SS*.SBendtrans-74.2127.3167.1-72.1158.7-162.700109.1R204R204-E208 PolarHBondContact O-N 2.94Å
209P57.5Low61.3Low114 Ų114109.6 Ų109.674%0.7458%0.582SS**PPolyproline II helixtrans-66.3146.5171.929.9-34000109.3E211P209-E211 PolarHBondContact O-N 3.34Å
210K45.2Very low58.4Low188 Ų188118.4 Ų118.482%0.81762%0.623SS**PPolyproline II helixtrans-68.8117.3164.4-68.3-176.4177.3-174.90108D212K210-D212 PolarHBondContact O-N 2.82Å
211E41.3Very low55.3Low188 Ų188123.3 Ų123.388%0.87965%0.652SS**  trans-76111.9153.1-67.3-176.815400106P209 S213P209-E211 PolarHBondContact O-N 3.34Å; E211-S213 PolarHBondContact O-N 2.64Å
212D37.2Very low52.2Low141 Ų141126.6 Ų126.675%0.75467%0.672SS**  trans-71112.3173.8-66.4-48.5000107.9K210K210-D212 PolarHBondContact O-N 2.82Å
213S35.3Very low49.1Very low114 Ų114132.3 Ų132.380%0.79771%0.705SS**  trans-81.6116.8172.458.50000109.3E211E211-S213 PolarHBondContact O-N 2.64Å
214D34.7Very low46.2Very low160 Ų160138.4 Ų138.486%0.85674%0.738SS**  trans-54145.4-173.4-67.8-67.6000114.7E216D214-E216 PolarHBondContact O-N 3.03Å
215D35.5Very low43.3Very low168 Ų168137.1 Ų137.190%0.89875%0.747SS**  trans-72.1109169.9-75.7-60.7000111.1
216E32Very low40.4Very low178 Ų178140.2 Ų140.283%0.83276%0.758SS**  trans-101.5105.4155.2-77.9-153.2133.700110.6D214D214-E216 PolarHBondContact O-N 3.03Å
217A33.7Very low37.7Very low96 Ų96143.1 Ų143.179%0.79378%0.778SS**  trans-79.5127.5175.300000111.1
218H29.2Very low35.4Very low175 Ų175145.4 Ų145.481%0.8179%0.79SS**  trans-119.6121.8165.7-80.81.7000110.8
219T27.6Very low33.2Very low137 Ų137146.9 Ų146.984%0.8480%0.797SS**  trans-75.1148.4-176.618.60000112.6
220E31.4Very low31.9Very low186 Ų186146.9 Ų146.987%0.86980%0.795SS**  trans-63.8138.9158.9-62.8-178.7140.600110.2
221N27.2Very low31.1Very low158 Ų158143.7 Ų143.785%0.84579%0.792SS**  trans-159.4147149.6-110.8-39.3000110.6
222N28.7Very low30.4Very low141 Ų141142.1 Ų142.175%0.75479%0.789SS**  trans-79.2162.3-173.2-56.8-46.1000113
223N26.9Very low29.8Very low162 Ų162138.1 Ų138.187%0.86678%0.781SS**  -162.3155.9125.3-94.8-28.2000111.6
224D27.2Very low30.5Very low138 Ų138138.3 Ų138.374%0.73878%0.779SS**  trans-92-171.4-168.4-62.2-77.1000115.2
225T27Very low30.2Very low126 Ų126136.3 Ų136.377%0.77377%0.769SS**  trans81.7136.5163.9650000117.3
226D28.6Very low30Very low139 Ų139135.4 Ų135.474%0.74376%0.757SS**  cis-161.6167.9-10.3-126.5-26.8000112.4
227V30.5Very low29.7Very low117 Ų117134 Ų13471%0.70975%0.751SS**  trans48.6127148.3175.30000118
228S30.6Very low29.3Very low96 Ų96136 Ų13667%0.67175%0.752SS**  cis-168.2175.531.2380000110.6
229E29.5Very low29.1Very low162 Ų162132.1 Ų132.176%0.75775%0.745SS**  cis-167.8169.3-19.2-102.9173.992.900110.9
230V30.5Very low29.5Very low115 Ų115131.8 Ų131.870%0.69775%0.746SS**  trans31.9127.4137.4-175.10000119.4
231T27.7Very low29.2Very low121 Ų121132.2 Ų132.274%0.74274%0.744SS**  cis-144.2179.720.7-9.70000109.8
232D27Very low29.1Very low155 Ų155135 Ų13583%0.82974%0.743SS**  cis-156.3-170.5-1.4-149.8-25.9000109.8
233G25.6Very low28.8Very low56 Ų56138 Ų13858%0.57775%0.75SS**  trans-139.6-146.5168.100000113
234P49Very low28.8Very low118 Ų118137 Ų13777%0.76674%0.74SS**  cis-115.4166.4-16.640.1-27.3000111.9
235D29.5Very low28.7Very low118 Ų118137.3 Ų137.363%0.63175%0.747SS**  168.6164.582.8-123.911.1000108
236K29.7Very low28.6Very low150 Ų150137.4 Ų137.465%0.65274%0.742SS**  cis-159.3-153.4-4.9-144.8178.1-156.871.30112.6
237E27.4Very low28.5Very low149 Ų149137.9 Ų137.970%0.69675%0.75SS**  trans-74167.7-175.8-68.6158.1148.200115.9
238T25.5Very low28.3Very low136 Ų136136.4 Ų136.483%0.83475%0.751SS**  cis-157173.4-12.722.40000110.9
239S23.7Very low28.2Very low94 Ų94136.6 Ų136.666%0.65776%0.758SS**  trans-109.6175.9171.967.80000112.4
240P36.1Very low28.1Very low131 Ų131136.3 Ų136.385%0.85176%0.762SS**  -144178.6105.438-23.4000115.3
241K24.9Very low27.9Very low194 Ų194135.3 Ų135.384%0.84377%0.766SS**  trans-122.6167.4-177-59.2175.4175173.60112.7
242R24.6Very low27.8Very low217 Ų217134.7 Ų134.782%0.81977%0.766SS**  trans83.2121.7135.2-159.2179.7-163.6178.45.2119.4
243K24Very low27.8Very low205 Ų205135.5 Ų135.589%0.89177%0.769SS**  -164.6150.8112.2-107.3177.3-178.9-177.60113.5
244Q26.3Very low27.7Very low141 Ų141137.3 Ų137.366%0.65977%0.772SS**  trans-103.5164.2169.2-64.1156-99.400109.4
245T24Very low26.5Very low143 Ų143139.5 Ų139.588%0.87778%0.777SS**  trans-150126.7143.3410000109.6
246D26.2Very low26.3Very low128 Ų128139.8 Ų139.868%0.68478%0.783SS**  trans-100.1156.7173.4-63.5-78.1000111
247T25.5Very low26.4Very low149 Ų149137.8 Ų137.891%0.91479%0.785SS**  trans170.1156.8147.832.90000110.6
248A27.9Very low26.2Very low86 Ų86141.5 Ų141.571%0.71179%0.793SS**  cis-171.5132.7-37.100000109.5
249A28.6Very low26.1Very low100 Ų100144.7 Ų144.783%0.82680%0.795SS**  trans60.2167.9163.900000117.3
250D25.7Very low26Very low157 Ų157150.1 Ų150.184%0.8481%0.807SS**  cis-153.3173.9-2.5-150.3-11.4000112.5
251A26.4Very low25.4Very low94 Ų94150.9 Ų150.978%0.77780%0.803SS**  trans73.6158.4154.500000120.1
252S26.7Very low25.3Very low108 Ų108153 Ų15376%0.75581%0.806SS**  trans-127.6165.6-17062.50000111.9
253I26.9Very low25.3Very low171 Ų171146.4 Ų146.488%0.87780%0.798SS**  trans-178.4160.5136.8-95.6155.4000109.9
254S23.8Very low25.3Very low94 Ų94143.6 Ų143.666%0.65779%0.793SS**  trans-106.3-178.9-170.457.60000114.3
255L22.7Very low25.3Very low164 Ų164144.2 Ų144.286%0.85980%0.8SS**  trans100.3116.5163.3-55.2172.1000119.3
256T26.2Very low25.6Very low124 Ų124142.8 Ų142.876%0.76179%0.793SS**  trans-63.3164.515258.90000111.2
257P30.8Very low25.6Very low108 Ų108146.2 Ų146.270%0.70181%0.805SS**  cis-160.1-167.74242.3-17.9000119.6
258R23.1Very low25.6Very low228 Ų228144.6 Ų144.686%0.8680%0.799SS**  trans90101.9153.1-72.9176.4178-164.80.1122.3
259K23.5Very low25.7Very low202 Ų202146.2 Ų146.288%0.87880%0.802SS**  27.4125.2126.2-70.3-175173.4-176.80120.6
260K23Very low25.7Very low208 Ų208146.4 Ų146.490%0.90480%0.804SS**  -166.2172.3116.7-107174.9-176.9178.60111.1
261L22.4Very low25.8Very low147 Ų147147.7 Ų147.777%0.7781%0.805SS**  -173.1110.8-68.9-164.7173.9000108.8
262R23.2Very low25.9Very low239 Ų239148.5 Ų148.590%0.90281%0.805SS**  trans173.9131.1153.9-97.2165.7174176.2-1.9107.7
263A23.9Very low26Very low78 Ų78148 Ų14865%0.64580%0.802SS**  cis90.4135.344.700000112
264D23.7Very low26.2Very low147 Ų147145.1 Ų145.179%0.78679%0.794SS**  cis-169.2175.4-11.2-127.1-52.3000112.1
265L28Very low26.6Very low154 Ų154145 Ų14581%0.80678%0.779SS**  trans69.9153.5168.2-58.9170.4000118.7
266P29.7Very low26.9Very low113 Ų113146.9 Ų146.973%0.73478%0.781SS**  cis-136.3146.5-47.136.6-21.1000113.7
267E25.2Very low26.9Very low200 Ų200151.9 Ų151.994%0.93579%0.792SS**  trans-80.2154.8168.3-67.8-175.1121.100112.2
268S26.1Very low26.8Very low115 Ų115151.3 Ų151.380%0.80479%0.791SS**  trans-107.8131.9176.553.90000111.5
269P31.1Very low26.9Very low119 Ų119148.8 Ų148.877%0.77379%0.793SS**  trans-81.5125.3-178.230.9-33.4000111.9E271P269-E271 PolarHBondContact O-N 3.2Å
270A27.4Very low27Very low105 Ų105150.7 Ų150.787%0.86880%0.795SS**  trans-85.684174.600000111.6
271E28.1Very low27Very low184 Ų184148.5 Ų148.586%0.8679%0.792SS**  trans-72.6131.9169.4-68.6-163.913900112P269P269-E271 PolarHBondContact O-N 3.2Å
272S28.3Very low27.2Very low110 Ų110150.9 Ų150.977%0.76980%0.797SS**  trans-168.7109.2146.634.70000112.7
273S28.8Very low27.3Very low99 Ų99145.7 Ų145.769%0.69279%0.793SS**  trans-128.3129.8163.8179.70000108.8R275S273-R275 VanDerWaalsContact C-N 3.32Å; S273-R275 PolarHBondContact O-N 2.85Å
274P31.1Very low27.4Very low110 Ų110150.1 Ų150.171%0.71481%0.806SS**SBendtrans-84.163.1-166.235-37.5000113.7
275R32.9Very low27.5Very low91 Ų91148.1 Ų148.134%0.34381%0.809SS.*  trans-137.279.6160.7-73.5-159.3-169.2-156.90.4111S273 Q383 N718S273-R275 VanDerWaalsContact C-N 3.32Å; S273-R275 PolarHBondContact O-N 2.85Å; R275-Q383 VanDerWaalsContact NH2-OE1 3.1Å; R275-N718 PolarHBondContact NH2-OD1 3.29Å
276K27.8Very low27.2Very low204 Ų204144 Ų14489%0.88781%0.805SS**  trans-173.5108.9158.7-106.7158.4-173.8175.60111.4
277F27Very low27Very low228 Ų228145 Ų145100%181%0.809SS**  trans-114.5108.3155.6-104-81.8000107.6
278S27.9Very low26.9Very low96 Ų96144.7 Ų144.767%0.67181%0.807SS**  trans-109.1125.1176.3580000109.8R280S278-R280 PolarHBondContact O-N 3.46Å; S278-R280 VanDerWaalsContact O-N 3.08Å
279L25.8Very low26.8Very low175 Ų175145.3 Ų145.392%0.91681%0.811SS**  trans-56.6110.3179.3-72.8162.4000111.7L281L279-L281 PolarHBondContact O-N 2.82Å
280R25.1Very low26.4Very low243 Ų243150.3 Ų150.392%0.91782%0.815SS**  trans-84.289.8169.1-98.2-172.6170.7-178.9-1.6110.5S278S278-R280 PolarHBondContact O-N 3.46Å; S278-R280 VanDerWaalsContact O-N 3.08Å
281L24.2Very low26.1Very low162 Ų162152.4 Ų152.485%0.84881%0.809SS**PPolyproline II helixtrans-59.8140.2158.1-78162.1000109.7L279L279-L281 PolarHBondContact O-N 2.82Å
282K26.1Very low25.9Very low197 Ų197148.2 Ų148.286%0.85780%0.8SS**PPolyproline II helixtrans-76.6129.5176-67.9179.8178.9178.40109.8
283P25.1Very low26.1Very low129 Ų129148.3 Ų148.384%0.83880%0.797SS**PPolyproline II helixtrans-73.6130.4167.2-8.124.4000110
284L26.3Very low25.9Very low172 Ų172151.7 Ų151.790%0.90181%0.807SS**PPolyproline II helixtrans-102.5126.4155.6-92.7116.6000108.7
285A25.2Very low25.5Very low104 Ų104155.2 Ų155.286%0.8681%0.811SS**  trans-118.4138.8156.600000107.5
286G22.8Very low25.5Very low69 Ų69155.9 Ų155.971%0.71183%0.827SS**  cis158.9136.4-8.500000111.1
287T23.8Very low25.3Very low134 Ų134153 Ų15382%0.82282%0.822SS**  trans-141.6109.4179.3-29.40000112.1
288Q23.4Very low25.3Very low192 Ų192153.9 Ų153.990%0.89782%0.818SS**  trans21.5112.5149.7-55.8178.23.100119.8
289S24.5Very low25.1Very low128 Ų128152.3 Ų152.390%0.89582%0.817SS**  -159.4159124.2-168.80000110
290R21.8Very low25.4Very low224 Ų224150.6 Ų150.685%0.84582%0.817SS**  trans-142144.9-170.3-160-168.2172.7178.7-3.2111
291M23.2Very low25.4Very low150 Ų150143.6 Ų143.674%0.73981%0.805SS**  trans81.691.9166.9-49-156.16800119.2
292S22.5Very low25.4Very low96 Ų96141.9 Ų141.967%0.67180%0.802SS**  1.3166.4113.361.40000120.3
293P32.1Very low25.9Very low111 Ų111138.2 Ų138.272%0.72180%0.798SS**  cis-137.1-176.3-37.739.4-23.3000112.1
294L25.6Very low26Very low170 Ų170138 Ų13889%0.8980%0.799SS**  trans178.4150.1135.1-97.6156.6000114.2
295K23.2Very low25.9Very low185 Ų185138.7 Ų138.780%0.80480%0.795SS**  trans-115.9171.9159.7-89.4-174.9177.8-179.30106.3
296P32.4Very low25.9Very low104 Ų104139.9 Ų139.968%0.67579%0.792SS**  cis-144.1-174.922.943.8-24000117.1
297N24.3Very low26Very low145 Ų145144.3 Ų144.378%0.77579%0.794SS**  trans28.7131.9143.8-57.6-6.3000119.5
298R25.8Very low26Very low245 Ų245143.6 Ų143.693%0.92579%0.789SS**  -170.9168.560.2-131.6167.2-171.2-178.91.5111.3
299G23.3Very low26.1Very low64 Ų64144.5 Ų144.566%0.6679%0.79SS**  trans-81-164164.200000112.9
300P33.8Very low26.1Very low138 Ų138142.8 Ų142.890%0.89678%0.784SS**  cis-132.3-153.930.142.9-25.3000114.5
301S24.9Very low26.2Very low96 Ų96141.2 Ų141.267%0.67179%0.786SS**  trans-120174.5-165.559.40000114.9
302T24Very low26.3Very low127 Ų127140.4 Ų140.478%0.77979%0.79SS**  trans68.1162.2151.937.50000119
303P36.3Very low27Very low119 Ų119141.2 Ų141.277%0.77379%0.793SS**  cis-136.7173.5-25.736.3-19.3000114.8
304S26.4Very low26.7Very low124 Ų124148 Ų14887%0.86780%0.804SS**  trans-155.1160.8147.558.80000111.8
305K25Very low26.7Very low187 Ų187151.5 Ų151.581%0.81381%0.806SS**  trans-128.8147-178.4-69.3177.9173.5-177.10111.1
306T25.1Very low27Very low130 Ų130148.1 Ų148.180%0.79881%0.805SS**  trans-169.9137.1138.2270000106.6
307E25.6Very low26.9Very low161 Ų161147.9 Ų147.975%0.75281%0.812SS**  68.6126.350.5-73.4-178.7-152.700113.7
308T23.4Very low27.2Very low119 Ų119150.4 Ų150.473%0.7382%0.816SS**  cis-163.2156-13.9-31.20000109.4
309K26.1Very low27.6Very low211 Ų211144 Ų14492%0.91780%0.804SS**  trans-168.9159.4144.9-111.1164.1-173.8179.40114.1
310A23.5Very low27.9Very low92 Ų92149 Ų14976%0.7681%0.81SS**  trans-92.4-178.8-179.300000110.8
311E24.6Very low27.8Very low191 Ų191149.9 Ų149.989%0.89380%0.802SS**  cis-141.7-159.528.5-64.9-174.912500114.6
312T25Very low28.2Very low134 Ų134149.9 Ų149.982%0.82280%0.798SS**  trans-115-161.4-157.3560000113.3
313P35.8Very low28.7Very low112 Ų112150.4 Ų150.473%0.72779%0.789SS**  -129.4162.2-80.538.5-23.2000114.5
314R25.7Very low28.5Very low254 Ų254151.3 Ų151.396%0.95878%0.783SS**  trans-138.6142.3157.4-73.2-164174.1179.9-0.7114.8
315R26.8Very low29Very low244 Ų244149.6 Ų149.692%0.92177%0.768SS**  trans-64.8160.4170.5-75.6172.9176.3167.8-2.9110.8
316S28.6Very low29.4Very low114 Ų114145.5 Ų145.580%0.79775%0.751SS**  cis-169.4134.7-0.836.70000110.6
317A29.9Very low29.8Very low99 Ų99146.4 Ų146.482%0.81874%0.744SS**  trans-156.935.7178.200000116.3
318K31.7Very low30.2Very low198 Ų198146.7 Ų146.786%0.86174%0.743SS**  trans-136.970.4178.8-76.6-166.4173.9-176.20114.4
319V33.2Very low30.7Very low110 Ų110146 Ų14667%0.66773%0.731SS**SBendtrans-137.5-28.6167.3-1760000113
320Q30.6Very low31Very low170 Ų170140.1 Ų140.179%0.79471%0.71SS**Hα-helixtrans-78.9-32.4-173.2-79.7160.2-57.700115.2V322 K323Q320-V322 VanDerWaalsContact C-N 3.33Å; Q320-V322 PolarHBondContact O-N 2.89Å; Q320-K323 PolarHBondContact O-N 2.82Å
321Q32.2Very low31.5Very low156 Ų156140.5 Ų140.573%0.72970%0.699SS**Hα-helixtrans-65.6-27.7-174.6-78.7-178-31.100114.8
322V33.5Very low32.1Very low95 Ų95134.2 Ų134.258%0.57668%0.676SS**Hα-helixtrans-71.2-44.3178.8-176.30000111Q320 E324 V325 E326Q320-V322 VanDerWaalsContact C-N 3.33Å; Q320-V322 PolarHBondContact O-N 2.89Å; V322-E324 VanDerWaalsContact C-N 3.29Å; V322-E324 PolarHBondContact O-N 2.94Å; V322-V325 PolarHBondContact O-N 2.9Å; V322-E326 HydrophobicContact CG1-CG 4.39Å; V322-E326 WeakPolarHBondContact O-CG 3.37Å; V322-E326 PolarHBondContact O-N 3.12Å; V322-E326 VanDerWaalsContact O-N 3.08Å
323K33Very low32.6Very low139 Ų139135.6 Ų135.660%0.60467%0.666SS**Hα-helixtrans-71.5-17.3-174.8-69.2-172175.3-176.80114.4Q320 K327Q320-K323 PolarHBondContact O-N 2.82Å; K323-K327 WeakPolarHBondContact O-CB 3.48Å; K323-K327 VanDerWaalsContact O-CG 3.29Å; K323-K327 WeakPolarHBondContact O-CG 3.28Å; K323-K327 PolarHBondContact O-N 2.87Å
324E33.2Very low32.4Very low137 Ų137137.8 Ų137.864%0.6466%0.664SS**Hα-helixtrans-83.1-36.9172.4-68.5-157.9130.200112.9V322 K327 K328V322-E324 VanDerWaalsContact C-N 3.29Å; V322-E324 PolarHBondContact O-N 2.94Å; E324-K327 PolarHBondContact O-N 2.85Å; E324-K328 PolarHBondContact O-N 3.03Å
325V36.9Very low33Very low89 Ų89131.4 Ų131.454%0.53965%0.645SS.*Hα-helixtrans-65.5-49.9174.2178.50000109.7V322 K327 K328 E329V322-V325 PolarHBondContact O-N 2.9Å; V325-K327 VanDerWaalsContact C-N 3.25Å; V325-K327 PolarHBondContact O-N 3.44Å; V325-K328 PolarHBondContact O-N 2.64Å; V325-K328 VanDerWaalsContact O-N 3.1Å; V325-E329 PolarHBondContact O-N 2.71Å
326E32.8Very low33.4Very low101 Ų101120.6 Ų120.647%0.47261%0.608SS.*Hα-helixtrans-58-36174.9-69.4179.6145.100112.5V322 N330V322-E326 HydrophobicContact CG1-CG 4.39Å; V322-E326 WeakPolarHBondContact O-CG 3.37Å; V322-E326 PolarHBondContact O-N 3.12Å; V322-E326 VanDerWaalsContact O-N 3.08Å; E326-N330 VanDerWaalsContact O-CB 3.28Å; E326-N330 WeakPolarHBondContact O-CB 3.16Å; E326-N330 PolarHBondContact O-N 2.69Å; E326-N330 PolarHBondContact O-ND2 2.8Å
327K33.9Very low33.8Very low149 Ų149122.1 Ų122.165%0.64860%0.6SS**Hα-helixtrans-69.1-42.8174.4-86.6-177.5174.7-175.30112.4K323 E324 V325 N330 L331K323-K327 WeakPolarHBondContact O-CB 3.48Å; K323-K327 VanDerWaalsContact O-CG 3.29Å; K323-K327 WeakPolarHBondContact O-CG 3.28Å; K323-K327 PolarHBondContact O-N 2.87Å; E324-K327 PolarHBondContact O-N 2.85Å; V325-K327 VanDerWaalsContact C-N 3.25Å; V325-K327 PolarHBondContact O-N 3.44Å; K327-N330 PolarHBondContact O-N 3.39Å; K327-L331 VanDerWaalsContact O-CD1 3.27Å; K327-L331 WeakPolarHBondContact O-CD1 3.47Å; K327-L331 PolarHBondContact O-N 2.92Å
328K34.3Very low34.3Very low167 Ų167120.1 Ų120.173%0.72658%0.583SS**Hα-helixtrans-63.3-41.6176.3-80.4-177.6174.8177.30112E324 V325 L331 S332E324-K328 PolarHBondContact O-N 3.03Å; V325-K328 PolarHBondContact O-N 2.64Å; V325-K328 VanDerWaalsContact O-N 3.1Å; K328-L331 PolarHBondContact O-N 2.99Å; K328-S332 WeakPolarHBondContact O-CB 3.27Å; K328-S332 PolarHBondContact O-N 3.18Å; K328-S332 PolarHBondContact O-OG 3.07Å
329E34Very low35Very low104 Ų104113.5 Ų113.549%0.48657%0.566SS.*Hα-helixtrans-67.3-37.1174.5-69.6-164.1160.200113.1V325 S332 R333V325-E329 PolarHBondContact O-N 2.71Å; E329-S332 PolarHBondContact O-OG 2.86Å; E329-R333 VanDerWaalsContact O-CB 3.26Å; E329-R333 WeakPolarHBondContact O-CB 3.38Å; E329-R333 WeakPolarHBondContact O-CG 3.5Å; E329-R333 PolarHBondContact O-N 3.32Å
330N31.7Very low35.5Very low88 Ų88112.9 Ų112.947%0.47156%0.556SS.*Hα-helixtrans-75.3-27.9177.1-80.1-66.9000113.2E326 K327 K334E326-N330 VanDerWaalsContact O-CB 3.28Å; E326-N330 WeakPolarHBondContact O-CB 3.16Å; E326-N330 PolarHBondContact O-N 2.69Å; E326-N330 PolarHBondContact O-ND2 2.8Å; K327-N330 PolarHBondContact O-N 3.39Å; N330-K334 WeakPolarHBondContact O-CB 3.32Å; N330-K334 WeakPolarHBondContact O-CG 3.41Å; N330-K334 PolarHBondContact O-N 2.89Å; N330-K334 VanDerWaalsContact O-N 3.15Å
331L34Very low36.2Very low100 Ų100110.8 Ų110.852%0.52455%0.549SS..Hα-helixtrans-67.3-53165.7-95.977.7000110.3K327 K328 R333 K334 E335K327-L331 VanDerWaalsContact O-CD1 3.27Å; K327-L331 WeakPolarHBondContact O-CD1 3.47Å; K327-L331 PolarHBondContact O-N 2.92Å; K328-L331 PolarHBondContact O-N 2.99Å; L331-R333 VanDerWaalsContact C-N 3.27Å; L331-R333 PolarHBondContact O-N 3.38Å; L331-K334 CarbonylContact O-C 3.48Å; L331-K334 WeakPolarHBondContact O-CA 3.35Å; L331-K334 WeakPolarHBondContact O-CB 3.46Å; L331-K334 PolarHBondContact O-N 2.96Å; L331-E335 WeakPolarHBondContact O-CG 3.02Å; L331-E335 PolarHBondContact O-N 2.81Å
332S36.5Very low36.9Very low59 Ų59109.1 Ų109.141%0.41354%0.541SS..Hα-helixtrans-63.6-31-177.375.50000113K328 E329 A336K328-S332 WeakPolarHBondContact O-CB 3.27Å; K328-S332 PolarHBondContact O-N 3.18Å; K328-S332 PolarHBondContact O-OG 3.07Å; E329-S332 PolarHBondContact O-OG 2.86Å; S332-A336 WeakPolarHBondContact O-CB 3.2Å; S332-A336 PolarHBondContact O-N 2.97Å
333R36.6Very low37.7Very low162 Ų162109 Ų10961%0.61153%0.53SS*.Hα-helixtrans-69.5-36.4169.1-81.6177.3161.4156.6-2.6113.4E329 L331 K337E329-R333 VanDerWaalsContact O-CB 3.26Å; E329-R333 WeakPolarHBondContact O-CB 3.38Å; E329-R333 WeakPolarHBondContact O-CG 3.5Å; E329-R333 PolarHBondContact O-N 3.32Å; L331-R333 VanDerWaalsContact C-N 3.27Å; L331-R333 PolarHBondContact O-N 3.38Å; R333-K337 WeakPolarHBondContact O-CB 3.34Å; R333-K337 WeakPolarHBondContact O-CG 3.3Å; R333-K337 PolarHBondContact O-N 2.95Å
334K32.3Very low38.6Very low158 Ų158105.1 Ų105.169%0.68752%0.516SS*.Hα-helixtrans-70.2-43.7174.3-81.5-177.8175.5-173.90111.6N330 L331 K337 A338N330-K334 WeakPolarHBondContact O-CB 3.32Å; N330-K334 WeakPolarHBondContact O-CG 3.41Å; N330-K334 PolarHBondContact O-N 2.89Å; N330-K334 VanDerWaalsContact O-N 3.15Å; L331-K334 CarbonylContact O-C 3.48Å; L331-K334 WeakPolarHBondContact O-CA 3.35Å; L331-K334 WeakPolarHBondContact O-CB 3.46Å; L331-K334 PolarHBondContact O-N 2.96Å; K334-K337 PolarHBondContact O-N 3Å; K334-A338 WeakPolarHBondContact O-CB 3.41Å; K334-A338 PolarHBondContact O-N 2.92Å
335E37.1Very low39.6Very low120 Ų120101.6 Ų101.656%0.56151%0.511SS*.Hα-helixtrans-63-42.6174.6-69.5166.2176.400111.3L331 A338 A339L331-E335 WeakPolarHBondContact O-CG 3.02Å; L331-E335 PolarHBondContact O-N 2.81Å; E335-A338 PolarHBondContact O-N 3.1Å; E335-A339 WeakPolarHBondContact O-CB 3.35Å; E335-A339 PolarHBondContact O-N 2.98Å
336A36.2Very low40.4Very low17 Ų1799.5 Ų99.514%0.1450%0.495CS..Hα-helixtrans-62.2-44.5173.600000112.3S332 A339 Q340S332-A336 WeakPolarHBondContact O-CB 3.2Å; S332-A336 PolarHBondContact O-N 2.97Å; A336-A339 PolarHBondContact O-N 3.46Å; A336-Q340 VanDerWaalsContact O-CB 3.28Å; A336-Q340 WeakPolarHBondContact O-CB 3.39Å; A336-Q340 PolarHBondContact O-N 2.95Å
337K35.6Very low41.7Very low147 Ų14795.4 Ų95.464%0.63948%0.477SS*.Hα-helixtrans-63.1-41.4174.8-79.8-173.7174-171.30112.2R333 K334 Q340 L341R333-K337 WeakPolarHBondContact O-CB 3.34Å; R333-K337 WeakPolarHBondContact O-CG 3.3Å; R333-K337 PolarHBondContact O-N 2.95Å; K334-K337 PolarHBondContact O-N 3Å; K337-Q340 PolarHBondContact O-N 2.86Å; K337-L341 WeakPolarHBondContact O-CB 3.43Å; K337-L341 PolarHBondContact O-N 2.9Å
338A40.5Very low42.9Very low56 Ų5693.7 Ų93.746%0.46347%0.474SS..Hα-helixtrans-64-45.8176.400000111.7K334 E335 Q340 L341 H342K334-A338 WeakPolarHBondContact O-CB 3.41Å; K334-A338 PolarHBondContact O-N 2.92Å; E335-A338 PolarHBondContact O-N 3.1Å; A338-Q340 PolarHBondContact O-N 2.69Å; A338-L341 PolarHBondContact O-N 2.83Å; A338-H342 PolarHBondContact O-N 3.12Å
339A46.1Very low44.2Very low59 Ų5989.6 Ų89.649%0.48846%0.464SS..Hα-helixtrans-64.4-37.5176.300000112.6E335 A336 H342 R343E335-A339 WeakPolarHBondContact O-CB 3.35Å; E335-A339 PolarHBondContact O-N 2.98Å; A336-A339 PolarHBondContact O-N 3.46Å; A339-H342 PolarHBondContact O-N 3.16Å; A339-R343 WeakPolarHBondContact O-CB 3.44Å; A339-R343 PolarHBondContact O-N 3.25Å
340Q44.5Very low45.4Very low98 Ų9885.6 Ų85.646%0.45845%0.446SS..Hα-helixtrans-69-39.9176.1-168171.620.300111.9A336 K337 A338 N344A336-Q340 VanDerWaalsContact O-CB 3.28Å; A336-Q340 WeakPolarHBondContact O-CB 3.39Å; A336-Q340 PolarHBondContact O-N 2.95Å; K337-Q340 PolarHBondContact O-N 2.86Å; A338-Q340 PolarHBondContact O-N 2.69Å; Q340-N344 WeakPolarHBondContact O-CB 3.46Å; Q340-N344 PolarHBondContact O-N 2.82Å; Q340-N344 PolarHBondContact O-OD1 3.01Å
341L44.7Very low46.8Very low125 Ų12582.1 Ų82.165%0.65443%0.428SS*.Hα-helixtrans-60.3-46.3170.1-87.2158.3000111.7K337 A338 N344 A345K337-L341 WeakPolarHBondContact O-CB 3.43Å; K337-L341 PolarHBondContact O-N 2.9Å; A338-L341 PolarHBondContact O-N 2.83Å; L341-N344 PolarHBondContact O-N 2.84Å; L341-A345 WeakPolarHBondContact O-CB 3.42Å; L341-A345 PolarHBondContact O-N 2.86Å
342H48.2Very low48.1Very low121 Ų12185.6 Ų85.656%0.5644%0.438SS*.Hα-helixtrans-63.4-45.4177.9-129.1-66.7000112A338 A339 N344 A345 H346A338-H342 PolarHBondContact O-N 3.12Å; A339-H342 PolarHBondContact O-N 3.16Å; H342-N344 PolarHBondContact O-N 3.27Å; H342-A345 PolarHBondContact O-N 3.22Å; H342-H346 AromaticContact CE1-NE2 3.49Å; H342-H346 PolarHBondContact CE1-NE2 2.87Å; H342-H346 AromaticContact ND1-CD2 3.55Å; H342-H346 AromaticContact ND1-NE2 3.09Å; H342-H346 PolarHBondContact ND1-NE2 3.01Å; H342-H346 PolarHBondContact O-CD2 2.87Å; H342-H346 PolarHBondContact O-N 3.42Å
343R50.4Low49.3Very low92 Ų9286.1 Ų86.135%0.34745%0.446SS..Hα-helixtrans-59.3-47.9176.9-178.2175.7-79.4-168.9-10.7110.8A339 A345 H346 V347 V640 L641A339-R343 WeakPolarHBondContact O-CB 3.44Å; A339-R343 PolarHBondContact O-N 3.25Å; R343-A345 VanDerWaalsContact C-N 3.33Å; R343-A345 PolarHBondContact O-N 3.46Å; R343-H346 PolarHBondContact O-N 3.3Å; R343-V347 HydrophobicContact CG-CG2 4.14Å; R343-V347 VanDerWaalsContact O-CB 3.31Å; R343-V347 WeakPolarHBondContact O-CB 3.15Å; R343-V347 VanDerWaalsContact O-CG2 3.23Å; R343-V347 WeakPolarHBondContact O-CG2 3.32Å; R343-V347 PolarHBondContact O-N 2.91Å; R343-V640 PolarHBondContact NE-O 3.33Å; R343-V640 PolarHBondContact NH2-O 3.15Å; R343-L641 VanDerWaalsContact CD-O 3.23Å; R343-L641 WeakPolarHBondContact CD-O 3.46Å; R343-L641 VanDerWaalsContact CZ-O 3.31Å; R343-L641 PolarHBondContact NE-O 2.95Å
344N50.8Low50.4Low58 Ų5879.1 Ų79.131%0.3142%0.422SS..Hα-helixtrans-62.9-38.5177.5-70.7-2.7000112.4Q340 L341 H342 H346 V347 L348Q340-N344 WeakPolarHBondContact O-CB 3.46Å; Q340-N344 PolarHBondContact O-N 2.82Å; Q340-N344 PolarHBondContact O-OD1 3.01Å; L341-N344 PolarHBondContact O-N 2.84Å; H342-N344 PolarHBondContact O-N 3.27Å; N344-H346 VanDerWaalsContact C-N 3.34Å; N344-H346 PolarHBondContact O-N 3.42Å; N344-V347 PolarHBondContact O-N 2.94Å; N344-L348 WeakPolarHBondContact O-CB 3.19Å; N344-L348 WeakPolarHBondContact O-CG 3.41Å; N344-L348 PolarHBondContact O-N 3.22Å; N344-L348 VanDerWaalsContact O-N 3.07Å
345A54.4Low51.7Low64 Ų6474.9 Ų74.953%0.52941%0.413SS..Hα-helixtrans-63-34.9179.100000113.4L341 H342 R343 P349L341-A345 WeakPolarHBondContact O-CB 3.42Å; L341-A345 PolarHBondContact O-N 2.86Å; H342-A345 PolarHBondContact O-N 3.22Å; R343-A345 VanDerWaalsContact C-N 3.33Å; R343-A345 PolarHBondContact O-N 3.46Å; A345-P349 WeakPolarHBondContact O-CD 3.4Å; A345-P349 WeakPolarHBondContact O-CG 3.41Å
346H54.9Low53Low44 Ų4478.4 Ų78.420%0.20443%0.426CS..Hα-helixtrans-83.6-41.6174.1-65.3-71.7000112.7H342 R343 N344 P349 I350 L641H342-H346 AromaticContact CE1-NE2 3.49Å; H342-H346 PolarHBondContact CE1-NE2 2.87Å; H342-H346 AromaticContact ND1-CD2 3.55Å; H342-H346 AromaticContact ND1-NE2 3.09Å; H342-H346 PolarHBondContact ND1-NE2 3.01Å; H342-H346 PolarHBondContact O-CD2 2.87Å; H342-H346 PolarHBondContact O-N 3.42Å; R343-H346 PolarHBondContact O-N 3.3Å; N344-H346 VanDerWaalsContact C-N 3.34Å; N344-H346 PolarHBondContact O-N 3.42Å; H346-P349 WeakPolarHBondContact O-CD 3.28Å; H346-I350 VanDerWaalsContact O-CD1 3.23Å; H346-I350 WeakPolarHBondContact O-CD1 3.38Å; H346-I350 WeakPolarHBondContact O-CG1 3.34Å; H346-L641 HydrophobicContact CB-CD2 3.69Å
347V59Low54.9Low16 Ų1678.9 Ų78.910%0.09743%0.427CS..Hα-helixtrans-68.5-37.4-174169.30000112.8R343 N344 I350 I351 L641R343-V347 HydrophobicContact CG-CG2 4.14Å; R343-V347 VanDerWaalsContact O-CB 3.31Å; R343-V347 WeakPolarHBondContact O-CB 3.15Å; R343-V347 VanDerWaalsContact O-CG2 3.23Å; R343-V347 WeakPolarHBondContact O-CG2 3.32Å; R343-V347 PolarHBondContact O-N 2.91Å; N344-V347 PolarHBondContact O-N 2.94Å; V347-I350 PolarHBondContact O-N 3.22Å; V347-I351 HydrophobicContact CG1-CD1 3.47Å; V347-I351 VanDerWaalsContact CG1-CD1 3.47Å; V347-I351 HydrophobicContact CG1-CG1 4.11Å; V347-I351 WeakPolarHBondContact O-CG1 3.19Å; V347-I351 PolarHBondContact O-N 3.05Å; V347-L641 HydrophobicContact CG2-CB 4.09Å; V347-L641 HydrophobicContact CG2-CD2 4.12Å
348L60.3Low56.9Low113 Ų11380 Ų8059%0.59243%0.432SS*.Hα-helixtrans-64.3-45.6-177.6-73.5167.9000114N344 I350 I351 K352N344-L348 WeakPolarHBondContact O-CB 3.19Å; N344-L348 WeakPolarHBondContact O-CG 3.41Å; N344-L348 PolarHBondContact O-N 3.22Å; N344-L348 VanDerWaalsContact O-N 3.07Å; L348-I350 PolarHBondContact O-N 2.78Å; L348-I351 PolarHBondContact O-N 3.28Å; L348-K352 WeakPolarHBondContact O-CB 3.47Å; L348-K352 PolarHBondContact O-N 3.29Å
349P60.2Low59Low80 Ų8080.1 Ų80.152%0.51943%0.428SS..Hα-helixtrans-57.8-42.2171.3-28.134.9000114.1A345 H346 K352 A353A345-P349 WeakPolarHBondContact O-CD 3.4Å; A345-P349 WeakPolarHBondContact O-CG 3.41Å; H346-P349 WeakPolarHBondContact O-CD 3.28Å; P349-K352 PolarHBondContact O-N 2.61Å; P349-A353 PolarHBondContact O-N 3.01Å
350I59.6Low61Low20 Ų2078 Ų7810%0.10341%0.409CS..Hα-helixtrans-61.9-49.6178.8-63.4159.5000110.1H346 V347 L348 K352 A353 C354 V605 L641 I679H346-I350 VanDerWaalsContact O-CD1 3.23Å; H346-I350 WeakPolarHBondContact O-CD1 3.38Å; H346-I350 WeakPolarHBondContact O-CG1 3.34Å; V347-I350 PolarHBondContact O-N 3.22Å; L348-I350 PolarHBondContact O-N 2.78Å; I350-K352 VanDerWaalsContact C-N 3.3Å; I350-K352 PolarHBondContact O-N 3.01Å; I350-A353 PolarHBondContact O-N 2.8Å; I350-C354 PolarHBondContact O-N 2.83Å; I350-C354 VanDerWaalsContact O-N 3.09Å; I350-V605 HydrophobicContact CB-CG2 4.48Å; I350-V605 HydrophobicContact CD1-CG2 3.37Å; I350-V605 HydrophobicContact CG1-CG2 3.85Å; I350-V605 HydrophobicContact CG2-CG2 3.81Å; I350-L641 HydrophobicContact CD1-CD1 3.68Å; I350-I679 HydrophobicContact CG2-CD1 3.85Å
351I60.7Low63.1Low16 Ų1675.4 Ų75.48%0.08240%0.402CS..Hα-helixtrans-58.6-44176.3-69170.8000110.1V347 L348 A353 C354 S355 Q683V347-I351 HydrophobicContact CG1-CD1 3.47Å; V347-I351 VanDerWaalsContact CG1-CD1 3.47Å; V347-I351 HydrophobicContact CG1-CG1 4.11Å; V347-I351 WeakPolarHBondContact O-CG1 3.19Å; V347-I351 PolarHBondContact O-N 3.05Å; L348-I351 PolarHBondContact O-N 3.28Å; I351-A353 VanDerWaalsContact C-N 3.31Å; I351-A353 PolarHBondContact O-N 2.83Å; I351-C354 PolarHBondContact O-N 2.92Å; I351-S355 WeakPolarHBondContact O-CA 3.3Å; I351-S355 WeakPolarHBondContact O-CB 3.45Å; I351-S355 PolarHBondContact O-N 2.72Å; I351-S355 PolarHBondContact O-OG 2.93Å; I351-Q683 HydrophobicContact CD1-CB 3.86Å; I351-Q683 HydrophobicContact CD1-CG 4.15Å; I351-Q683 HydrophobicContact CG2-CB 4.48Å; I351-Q683 HydrophobicContact CG2-CG 4.31Å
352K61.8Low65.4Low172 Ų17269.8 Ų69.875%0.74837%0.372SS*.Hα-helixtrans-66.5-28.3179.6-169.8176.8-179.2-178.30113.9L348 P349 I350L348-K352 WeakPolarHBondContact O-CB 3.47Å; L348-K352 PolarHBondContact O-N 3.29Å; P349-K352 PolarHBondContact O-N 2.61Å; I350-K352 VanDerWaalsContact C-N 3.3Å; I350-K352 PolarHBondContact O-N 3.01Å
353A60.5Low67.6Low70 Ų7068.9 Ų68.958%0.57937%0.367SS*.Hα-helixtrans-71.4-44.4172.800000111.3P349 I350 I351P349-A353 PolarHBondContact O-N 3.01Å; I350-A353 PolarHBondContact O-N 2.8Å; I351-A353 VanDerWaalsContact C-N 3.31Å; I351-A353 PolarHBondContact O-N 2.83Å
354C61.3Low69.6Low15 Ų1568 Ų6810%0.10137%0.373CS..Hα-helixtrans-92.8-8.8-173.5-55.60000114.9I350 I351 K356 T357 A663 I679I350-C354 PolarHBondContact O-N 2.83Å; I350-C354 VanDerWaalsContact O-N 3.09Å; I351-C354 PolarHBondContact O-N 2.92Å; C354-K356 PolarHBondContact O-N 2.81Å; C354-T357 PolarHBondContact O-N 2.64Å; C354-T357 PolarHBondContact O-OG1 2.83Å; C354-A663 HydrophobicContact CB-CB 3.65Å; C354-I679 HydrophobicContact CB-CB 4.38Å; C354-I679 HydrophobicContact CB-CG1 4.16Å; C354-I679 HydrophobicContact CB-CG2 3.73Å
355S59.1Low71.7Confident70 Ų7068.4 Ų68.449%0.4937%0.374SS..THydrogen-bonded Turntrans-66.57.9-176.666.40000115.5I351I351-S355 WeakPolarHBondContact O-CA 3.3Å; I351-S355 WeakPolarHBondContact O-CB 3.45Å; I351-S355 PolarHBondContact O-N 2.72Å; I351-S355 PolarHBondContact O-OG 2.93Å
356K64.8Low73.7Confident193 Ų19367.8 Ų67.884%0.83936%0.361SS*.THydrogen-bonded Turntrans-85.4-22.2170.5-65179.6179.3179.20112.3C354C354-K356 PolarHBondContact O-N 2.81Å
357T74.9Confident75.6Confident28 Ų2867.8 Ų67.817%0.17237%0.368CS..  trans-90.1150.4-179.160.10000110.7C354 G661 R662 H678C354-T357 PolarHBondContact O-N 2.64Å; C354-T357 PolarHBondContact O-OG1 2.83Å; T357-G661 WeakPolarHBondContact CG2-O 3.36Å; T357-R662 PolarHBondContact OG1-O 3.35Å; T357-H678 PolarHBondContact O-CE1 2.87Å; T357-H678 PolarHBondContact OG1-NE2 3.48Å
358K79.3Confident77.2Confident170 Ų17068.4 Ų68.474%0.73937%0.371SS*.  trans-115.6155.4171.7-68.5-178.1-179.6177.20108.8
359P84.4Confident78.8Confident58 Ų5865.9 Ų65.938%0.37736%0.356SS..  trans-51.9145.2164-2535.2000111.7Y664 H678 T696P359-Y664 VanDerWaalsContact CA-OH 3.31Å; P359-Y664 WeakPolarHBondContact CA-OH 3.26Å; P359-H678 HydrophobicContact CG-CB 4.26Å; P359-T696 HydrophobicContact CB-CG2 4.1Å; P359-T696 HydrophobicContact CG-CG2 4.26Å
360V86.9Confident80.3Confident16 Ų1662.6 Ų62.610%0.09734%0.335CS..  trans-120.4134.5-177.4-179.10000107.6Y664 S743V360-Y664 PolarHBondContact N-OH 3.43Å; V360-Y664 PolarHBondContact O-OH 2.69Å; V360-S743 VanDerWaalsContact CG1-CB 3.46Å
361S89.6Confident82.1Confident43 Ų4361.7 Ų61.730%0.30133%0.33SS..  trans-83.4135.5172.5-173.50000110.2S743 E744S361-S743 WeakPolarHBondContact O-CA 3.33Å; S361-E744 PolarHBondContact O-N 2.78Å
362L92.9Very high83.6Confident6 Ų661.1 Ų61.13%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-119116-174.4-72.5164.6000110.3L699 L726 L729 W741 K742L362-L699 HydrophobicContact CB-CD1 3.98Å; L362-L699 HydrophobicContact CB-CD2 4.16Å; L362-L699 HydrophobicContact CD1-CD1 4.11Å; L362-L726 HydrophobicContact CD1-CD1 4.47Å; L362-L729 HydrophobicContact CD1-CD1 3.89Å; L362-L729 HydrophobicContact CD2-CB 4.48Å; L362-W741 HydrophobicContact CB-CB 4.27Å; L362-K742 WeakPolarHBondContact CA-O 3.46Å
363K93.1Very high84.8Confident103 Ų10357.8 Ų57.845%0.44831%0.313SS..EExtended strand (participates in β ladder)trans-106.4140.9178.3-69-173.8-175.6163.90111.8L365 W741 K742 E744K363-L365 PolarHBondContact O-N 3.08Å; K363-W741 CarbonylContact O-C 3.54Å; K363-W741 WeakPolarHBondContact O-CA 3.46Å; K363-W741 WeakPolarHBondContact O-CB 3.22Å; K363-K742 PolarHBondContact N-O 2.85Å; K363-K742 PolarHBondContact O-N 2.93Å; K363-E744 HydrophobicContact CD-CG 4.19Å; K363-E744 WeakPolarHBondContact CD-OE1 3.28Å; K363-E744 WeakPolarHBondContact CE-OE1 3.23Å; K363-E744 WeakPolarHBondContact CE-OE2 3.28Å; K363-E744 HydrophobicContact CG-CG 4.44Å; K363-E744 IonicContact NZ-OE1 3.11Å; K363-E744 PolarHBondContact NZ-OE1 2.95Å; K363-E744 IonicContact NZ-OE2 3.4Å; K363-E744 PolarHBondContact NZ-OE2 3.03Å
364P93.7Very high85.9Confident72 Ų7263.4 Ų63.447%0.46833%0.327SS..EExtended strand (participates in β ladder)trans-56131.8171.4-20.429.8000110.8P702P364-P702 HydrophobicContact CB-CB 4.35Å; P364-P702 HydrophobicContact CG-CB 4.28Å
365L94.8Very high86.9Confident67 Ų6766.5 Ų66.535%0.35134%0.343SS..EExtended strand (participates in β ladder)trans-114.9-51-179.1-174.374.2000111.3K363 C415 I740 K742K363-L365 PolarHBondContact O-N 3.08Å; L365-C415 WeakPolarHBondContact CD2-O 3.35Å; L365-I740 PolarHBondContact N-O 3.29Å; L365-K742 HydrophobicContact CB-CB 4.24Å; L365-K742 HydrophobicContact CD1-CD 4.39Å; L365-K742 HydrophobicContact CD2-CB 4.1Å; L365-K742 HydrophobicContact CD2-CD 4.06Å
366H95.5Very high88.1Confident52 Ų5265.4 Ų65.424%0.24134%0.335CS..EExtended strand (participates in β ladder)trans-137.7150.6-177.1-62.7-66.2000112.3L368 C415 E416 G418 V739 I740H366-L368 HydrophobicContact CB-CG 4.43Å; H366-C415 PolarHBondContact CD2-O 3.18Å; H366-E416 PolarHBondContact NE2-O 2.89Å; H366-G418 VanDerWaalsContact CD2-CA 3.45Å; H366-G418 WeakPolarHBondContact CD2-CA 3.43Å; H366-G418 PolarHBondContact NE2-N 2.75Å; H366-V739 WeakPolarHBondContact O-CA 3.09Å; H366-I740 HydrophobicContact CB-CB 4.24Å; H366-I740 HydrophobicContact CB-CD1 4.32Å; H366-I740 HydrophobicContact CB-CG1 4.34Å; H366-I740 PolarHBondContact N-O 3.17Å; H366-I740 PolarHBondContact O-N 2.83Å
367A94.4Very high89.1Confident43 Ų4359.5 Ų59.536%0.35532%0.318SS..EExtended strand (participates in β ladder)trans-132.7126166.500000109.6L704 V738 V739A367-L704 HydrophobicContact CB-CD1 3.77Å; A367-L704 HydrophobicContact CB-CD2 3.66Å; A367-L704 HydrophobicContact CB-CG 4.4Å; A367-V738 CarbonylContact C-O 3.6Å; A367-V738 WeakPolarHBondContact CA-O 3.37Å; A367-V739 HydrophobicContact CB-CG2 4.14Å
368L94.2Very high89.7Confident30 Ų3064 Ų6416%0.15734%0.341CS..EExtended strand (participates in β ladder)trans-132.2131.3-165.9-53.9174.8000111.3H366 I413 G418 V738 I740H366-L368 HydrophobicContact CB-CG 4.43Å; L368-I413 HydrophobicContact CD1-CD1 4.36Å; L368-I413 HydrophobicContact CD1-CG2 3.63Å; L368-G418 WeakPolarHBondContact CD2-O 3.34Å; L368-V738 HydrophobicContact CB-CB 4.37Å; L368-V738 PolarHBondContact N-O 3.13Å; L368-V738 PolarHBondContact O-N 2.79Å; L368-I740 HydrophobicContact CD1-CD1 4.11Å
369Q93.2Very high90.2Very high59 Ų5956.5 Ų56.528%0.27631%0.309SS..  trans-102.761.8177.8-166.5-170.411.700110.4S377 D379 N736 L737Q369-S377 PolarHBondContact NE2-O 2.85Å; Q369-S377 PolarHBondContact OE1-O 3.27Å; Q369-S377 VanDerWaalsContact OE1-O 3.13Å; Q369-D379 PolarHBondContact NE2-O 2.91Å; Q369-N736 WeakPolarHBondContact CA-O 3.37Å; Q369-N736 WeakPolarHBondContact CG-O 3.26Å; Q369-L737 HydrophobicContact CB-CD2 4.26Å
370C92.3Very high90.5Very high12 Ų1255.3 Ų55.38%0.08130%0.298CS..THydrogen-bonded Turntrans-86.9-14.6-163580000116V420 K423 V738C370-V420 HydrophobicContact CB-CG2 3.53Å; C370-K423 WeakPolarHBondContact O-CE 3.3Å; C370-K423 PolarHBondContact O-NZ 2.96Å; C370-V738 WeakPolarHBondContact SG-CG2 3.32Å
371H95.8Very high90.7Very high0 Ų058 Ų580%032%0.318CS..THydrogen-bonded Turntrans-101.69.6-175.3-66.5-88.3000114.8K373 T382 L384 T404 G406 S409 C411 N736H371-K373 PolarHBondContact O-N 2.98Å; H371-T382 HydrophobicContact CB-CG2 4.09Å; H371-L384 HydrophobicContact CB-CD2 3.56Å; H371-L384 VanDerWaalsContact CD2-CD2 3.49Å; H371-L384 WeakPolarHBondContact CD2-CD2 3.19Å; H371-T404 PolarHBondContact CE1-O 2.85Å; H371-T404 VanDerWaalsContact CE1-O 3.24Å; H371-T404 PolarHBondContact NE2-OG1 3.25Å; H371-G406 PolarHBondContact ND1-N 2.9Å; H371-G406 PolarHBondContact ND1-O 3.34Å; H371-S409 PolarHBondContact CE1-O 2.75Å; H371-S409 PolarHBondContact ND1-O 3.46Å; H371-S409 VanDerWaalsContact ND1-O 3.16Å; H371-S409 PolarHBondContact ND1-OG 2.88Å; H371-C411 VanDerWaalsContact CE1-SG 3.51Å; H371-N736 WeakPolarHBondContact CB-OD1 3.44Å; H371-N736 PolarHBondContact N-OD1 2.82Å
372S92.5Very high90.9Very high4 Ų456.1 Ų56.13%0.02830%0.304CS..  trans-50.4131.4-175.3-61.60000114.9Q374 D375 S376 D379 N736S372-Q374 PolarHBondContact O-N 3.39Å; S372-D375 PolarHBondContact O-N 2.89Å; S372-S376 WeakPolarHBondContact CB-O 3.22Å; S372-S376 PolarHBondContact OG-O 2.74Å; S372-D379 WeakPolarHBondContact CA-OD2 3.3Å; S372-N736 VanDerWaalsContact CA-ND2 3.34Å; S372-N736 WeakPolarHBondContact CA-ND2 3.5Å; S372-N736 PolarHBondContact N-ND2 3.19Å; S372-N736 PolarHBondContact OG-ND2 3.4Å
373K87.4Confident91Very high103 Ų10358 Ų5845%0.44831%0.313SS..G310 helixtrans-53.2130.9164.7-70.8158.9-175.6160.30109.1H371 D375 S376 D379 S381 T382H371-K373 PolarHBondContact O-N 2.98Å; K373-D375 PolarHBondContact O-N 2.87Å; K373-S376 PolarHBondContact O-N 2.98Å; K373-S376 VanDerWaalsContact O-N 3.1Å; K373-D379 WeakPolarHBondContact CB-OD2 3.23Å; K373-D379 WeakPolarHBondContact CG-OD2 3.15Å; K373-D379 PolarHBondContact N-OD2 2.68Å; K373-S381 PolarHBondContact NZ-OG 2.9Å; K373-T382 WeakPolarHBondContact CD-OG1 3.21Å; K373-T382 WeakPolarHBondContact CE-OG1 3.49Å; K373-T382 WeakPolarHBondContact CG-OG1 3.45Å
374Q82.8Confident91.2Very high188 Ų18853.1 Ų53.188%0.87929%0.292SS*.G310 helixtrans5417.8-177.6-54.8177.60.700114.3S372 S376S372-Q374 PolarHBondContact O-N 3.39Å; Q374-S376 PolarHBondContact O-N 3Å
375D82.8Confident91.4Very high80 Ų8053.1 Ų53.143%0.42828%0.282SS..G310 helixtrans5729.4-173.7-53.6-52.1000114.3S372 K373 K423 K425S372-D375 PolarHBondContact O-N 2.89Å; K373-D375 PolarHBondContact O-N 2.87Å; D375-K423 IonicContact OD1-NZ 2.75Å; D375-K423 PolarHBondContact OD1-NZ 2.71Å; D375-K425 WeakPolarHBondContact OD1-CE 3.41Å; D375-K425 IonicContact OD1-NZ 2.69Å; D375-K425 PolarHBondContact OD1-NZ 2.88Å; D375-K425 IonicContact OD2-NZ 2.76Å; D375-K425 PolarHBondContact OD2-NZ 2.93Å
376S86Confident91.5Very high47 Ų4750.5 Ų50.533%0.32927%0.271SS..  trans-72.5141.3176.3179.60000113.4S372 K373 Q374 D378S372-S376 WeakPolarHBondContact CB-O 3.22Å; S372-S376 PolarHBondContact OG-O 2.74Å; K373-S376 PolarHBondContact O-N 2.98Å; K373-S376 VanDerWaalsContact O-N 3.1Å; Q374-S376 PolarHBondContact O-N 3Å; S376-D378 PolarHBondContact O-N 3.43Å; S376-D378 PolarHBondContact OG-N 3.26Å; S376-D378 VanDerWaalsContact OG-N 3.08Å
377S85.6Confident91.6Very high69 Ų6948.6 Ų48.648%0.48326%0.263SS..THydrogen-bonded Turntrans-68.7-17.3169.651.80000113.7Q369 F380Q369-S377 PolarHBondContact NE2-O 2.85Å; Q369-S377 PolarHBondContact OE1-O 3.27Å; Q369-S377 VanDerWaalsContact OE1-O 3.13Å; S377-F380 VanDerWaalsContact O-CE2 3.22Å; S377-F380 WeakPolarHBondContact O-CE2 3.21Å
378D86.8Confident91.7Very high122 Ų12247.8 Ų47.865%0.65226%0.256SS*.THydrogen-bonded Turntrans-101.9-3.3-167.7-49.9-21.2000111.5S376 F380S376-D378 PolarHBondContact O-N 3.43Å; S376-D378 PolarHBondContact OG-N 3.26Å; S376-D378 VanDerWaalsContact OG-N 3.08Å; D378-F380 PolarHBondContact O-N 2.85Å; D378-F380 VanDerWaalsContact O-N 3.12Å
379D89.8Confident91.8Very high13 Ų1347.4 Ų47.47%0.0725%0.253CS..  trans-76.397.9172.9-17820.5000111.2Q369 S372 K373 S381 T382 N736Q369-D379 PolarHBondContact NE2-O 2.91Å; S372-D379 WeakPolarHBondContact CA-OD2 3.3Å; K373-D379 WeakPolarHBondContact CB-OD2 3.23Å; K373-D379 WeakPolarHBondContact CG-OD2 3.15Å; K373-D379 PolarHBondContact N-OD2 2.68Å; D379-S381 WeakPolarHBondContact OD1-CA 3.42Å; D379-S381 WeakPolarHBondContact OD1-CB 3.47Å; D379-S381 PolarHBondContact OD1-N 3.48Å; D379-S381 PolarHBondContact OD1-OG 3.05Å; D379-T382 PolarHBondContact OD1-N 2.95Å; D379-T382 PolarHBondContact OD1-OG1 3.45Å; D379-T382 WeakPolarHBondContact OD2-CB 3.4Å; D379-T382 PolarHBondContact OD2-OG1 2.94Å; D379-N736 WeakPolarHBondContact O-CB 3.17Å; D379-N736 PolarHBondContact O-ND2 3.21Å
380F89.7Confident91.8Very high33 Ų3346.8 Ų46.815%0.14525%0.25CS..  trans-109.622.4164.5-64.4-100.8000110.9S377 D378 R706 I712 K735 L737S377-F380 VanDerWaalsContact O-CE2 3.22Å; S377-F380 WeakPolarHBondContact O-CE2 3.21Å; D378-F380 PolarHBondContact O-N 2.85Å; D378-F380 VanDerWaalsContact O-N 3.12Å; F380-R706 HydrophobicContact CE2-CG 4.3Å; F380-R706 HydrophobicContact CZ-CG 4.27Å; F380-I712 HydrophobicContact CE1-CD1 3.68Å; F380-I712 HydrophobicContact CZ-CD1 4.18Å; F380-K735 HydrophobicContact CB-CB 4.44Å; F380-K735 HydrophobicContact CD1-CB 4.42Å; F380-K735 VanDerWaalsContact CD1-O 3.25Å; F380-K735 WeakPolarHBondContact CD1-O 3.13Å; F380-L737 HydrophobicContact CE1-CD2 4.27Å; F380-L737 HydrophobicContact CE1-CG 4.49Å
381S91.6Very high91.6Very high72 Ų7248.2 Ų48.250%0.50326%0.259SS..  trans-99.7-15.9179.875.80000113.5K373 D379 Q383K373-S381 PolarHBondContact NZ-OG 2.9Å; D379-S381 WeakPolarHBondContact OD1-CA 3.42Å; D379-S381 WeakPolarHBondContact OD1-CB 3.47Å; D379-S381 PolarHBondContact OD1-N 3.48Å; D379-S381 PolarHBondContact OD1-OG 3.05Å; S381-Q383 PolarHBondContact O-N 2.99Å
382T94.3Very high90.7Very high3 Ų352.7 Ų52.72%0.01828%0.28CS..  trans-83.6108.3-177.9-670000110.8H371 K373 D379 L384 N736H371-T382 HydrophobicContact CB-CG2 4.09Å; K373-T382 WeakPolarHBondContact CD-OG1 3.21Å; K373-T382 WeakPolarHBondContact CE-OG1 3.49Å; K373-T382 WeakPolarHBondContact CG-OG1 3.45Å; D379-T382 PolarHBondContact OD1-N 2.95Å; D379-T382 PolarHBondContact OD1-OG1 3.45Å; D379-T382 WeakPolarHBondContact OD2-CB 3.4Å; D379-T382 PolarHBondContact OD2-OG1 2.94Å; T382-L384 HydrophobicContact CG2-CD2 4.37Å; T382-N736 WeakPolarHBondContact O-CA 3.47Å; T382-N736 VanDerWaalsContact O-CB 3.22Å; T382-N736 WeakPolarHBondContact O-CB 3.47Å; T382-N736 PolarHBondContact O-N 3.21Å; T382-N736 VanDerWaalsContact O-N 3.09Å
383Q95.3Very high89.2Confident46 Ų4654.8 Ų54.822%0.21530%0.295CS..  trans-75.3136.5177.5-61.3176.21800110.4R275 S381 W385 G406 D734R275-Q383 VanDerWaalsContact NH2-OE1 3.1Å; S381-Q383 PolarHBondContact O-N 2.99Å; Q383-W385 HydrophobicContact CB-CZ2 3.91Å; Q383-W385 PolarHBondContact O-NE1 2.59Å; Q383-W385 VanDerWaalsContact OE1-CH2 3.24Å; Q383-G406 WeakPolarHBondContact O-CA 3.36Å; Q383-D734 HydrophobicContact CG-CB 4.07Å; Q383-D734 WeakPolarHBondContact CG-O 3.43Å
384L97.6Very high87.4Confident0 Ų059.9 Ų59.90%032%0.321CS..EExtended strand (participates in β ladder)trans-100.7137175.8-46.8-168.8000108.8H371 T382 N718 L732 T733 L737 V738H371-L384 HydrophobicContact CB-CD2 3.56Å; H371-L384 VanDerWaalsContact CD2-CD2 3.49Å; H371-L384 WeakPolarHBondContact CD2-CD2 3.19Å; T382-L384 HydrophobicContact CG2-CD2 4.37Å; L384-N718 WeakPolarHBondContact O-CB 3.36Å; L384-N718 PolarHBondContact O-ND2 3.19Å; L384-L732 HydrophobicContact CB-CB 3.87Å; L384-L732 HydrophobicContact CB-CD1 4.14Å; L384-L732 HydrophobicContact CB-CD2 4.16Å; L384-L732 HydrophobicContact CB-CG 4.3Å; L384-L732 HydrophobicContact CD1-CD2 3.94Å; L384-T733 WeakPolarHBondContact CB-O 3.43Å; L384-T733 PolarHBondContact N-O 2.89Å; L384-L737 WeakPolarHBondContact CD1-O 3.3Å; L384-V738 HydrophobicContact CD1-CG2 3.53Å
385W96.9Very high85.3Confident72 Ų7256.1 Ų56.127%0.27332%0.315SS..EExtended strand (participates in β ladder)trans-120.8-42.3-162.2-66.1104.6000115.4Q383 C405 F431 F432 S719Q383-W385 HydrophobicContact CB-CZ2 3.91Å; Q383-W385 PolarHBondContact O-NE1 2.59Å; Q383-W385 VanDerWaalsContact OE1-CH2 3.24Å; W385-C405 PolarHBondContact N-O 2.78Å; W385-F431 VanDerWaalsContact CD1-O 3.31Å; W385-F432 VanDerWaalsContact CB-O 3.29Å; W385-F432 WeakPolarHBondContact CB-O 3.27Å; W385-F432 AromaticContact CD1-CD1 3.79Å; W385-F432 HydrophobicContact CD2-CD1 4.3Å; W385-F432 HydrophobicContact CG-CD1 4.13Å; W385-F432 AromaticContact NE1-CD1 3.73Å; W385-F432 AromaticContact NE1-CE1 3.98Å; W385-S719 VanDerWaalsContact O-CB 3.3Å; W385-S719 WeakPolarHBondContact O-CB 3.41Å
386A97.4Very high83.4Confident13 Ų1354.7 Ų54.711%0.10731%0.311CS..EExtended strand (participates in β ladder)trans-142.2139.9-177.900000112.1T404 C405 L434 L732A386-T404 WeakPolarHBondContact O-CA 3.41Å; A386-C405 PolarHBondContact O-N 3.17Å; A386-L434 HydrophobicContact CB-CG 4.23Å; A386-L732 VanDerWaalsContact O-CD1 3.27Å; A386-L732 WeakPolarHBondContact O-CD1 3.49Å
387C97.5Very high81.3Confident12 Ų1257.4 Ų57.48%0.08134%0.336CS..EExtended strand (participates in β ladder)trans-131.1148.6171.953.90000111.2V402 A403 T404 V720 A721 L732C387-V402 HydrophobicContact CB-CG2 4.17Å; C387-A403 CarbonylContact C-O 3.44Å; C387-A403 WeakPolarHBondContact CA-O 3.33Å; C387-T404 HydrophobicContact CB-CG2 4.04Å; C387-V720 VanDerWaalsContact SG-C 3.59Å; C387-A721 HydrophobicContact CB-CB 4.21Å; C387-A721 WeakPolarHBondContact SG-CB 3.49Å; C387-L732 HydrophobicContact CB-CD1 3.66Å; C387-L732 HydrophobicContact CB-CD2 4.38Å; C387-L732 HydrophobicContact CB-CG 3.9Å
388A96.9Very high79.8Confident25 Ų2555.1 Ų55.121%0.20732%0.324CS..EExtended strand (participates in β ladder)trans-155.1140174.100000110.3A403 L434 W436A388-A403 PolarHBondContact N-O 2.92Å; A388-A403 PolarHBondContact O-N 3.03Å; A388-L434 HydrophobicContact CB-CD1 3.59Å; A388-W436 VanDerWaalsContact O-CD1 3.27Å; A388-W436 PolarHBondContact O-NE1 3.05Å
389F95.8Very high78.9Confident22 Ų2249.8 Ų49.810%0.09630%0.296CS..EExtended strand (participates in β ladder)trans-75.6147.7172-78.2-92.6000111.4S399 L401 V402 C415 W436 A721 M722 D723 V730F389-S399 VanDerWaalsContact CD1-O 3.23Å; F389-S399 WeakPolarHBondContact CD1-O 3.45Å; F389-L401 WeakPolarHBondContact CA-O 3.37Å; F389-V402 HydrophobicContact CD1-CB 4.1Å; F389-V402 HydrophobicContact CD2-CG2 4.19Å; F389-V402 HydrophobicContact CE1-CB 3.99Å; F389-V402 HydrophobicContact CE2-CB 4.39Å; F389-V402 HydrophobicContact CE2-CG2 4.14Å; F389-V402 HydrophobicContact CG-CB 4.4Å; F389-V402 HydrophobicContact CG-CG2 4.44Å; F389-V402 HydrophobicContact CZ-CB 4.15Å; F389-V402 HydrophobicContact CZ-CG2 4.37Å; F389-C415 VanDerWaalsContact CE1-SG 3.59Å; F389-W436 VanDerWaalsContact C-CD1 3.47Å; F389-A721 HydrophobicContact CD2-CB 4.09Å; F389-A721 HydrophobicContact CE2-CB 4.17Å; F389-M722 VanDerWaalsContact CD2-O 3.27Å; F389-M722 WeakPolarHBondContact CD2-O 3.47Å; F389-D723 HydrophobicContact CD1-CB 3.86Å; F389-D723 HydrophobicContact CD2-CB 4.38Å; F389-D723 HydrophobicContact CE1-CB 4.02Å; F389-D723 HydrophobicContact CG-CB 4.02Å; F389-D723 HydrophobicContact CZ-CB 4.35Å; F389-V730 HydrophobicContact CE2-CB 4.39Å; F389-V730 HydrophobicContact CE2-CG2 3.96Å; F389-V730 HydrophobicContact CZ-CG2 3.61Å
390Q93.6Very high78.8Confident46 Ų4653.7 Ų53.722%0.21531%0.31CS..PPolyproline II helixtrans-64139.5172.6-179.5-176-18.500109.8S399 L401 W436 S453Q390-S399 WeakPolarHBondContact O-CB 3.36Å; Q390-S399 PolarHBondContact O-OG 3.04Å; Q390-L401 HydrophobicContact CB-CB 4.33Å; Q390-L401 PolarHBondContact N-O 3Å; Q390-W436 HydrophobicContact CB-CD2 4Å; Q390-W436 HydrophobicContact CB-CE3 4.18Å; Q390-W436 HydrophobicContact CB-CH2 3.96Å; Q390-W436 HydrophobicContact CB-CZ2 3.77Å; Q390-W436 HydrophobicContact CB-CZ3 4.17Å; Q390-W436 HydrophobicContact CG-CD2 4.23Å; Q390-W436 HydrophobicContact CG-CE3 3.9Å; Q390-W436 HydrophobicContact CG-CH2 3.95Å; Q390-W436 HydrophobicContact CG-CZ2 4.28Å; Q390-W436 HydrophobicContact CG-CZ3 3.76Å; Q390-S453 PolarHBondContact NE2-OG 2.88Å
391P88.8Confident79Confident42 Ų4252.8 Ų52.827%0.27331%0.306SS..PPolyproline II helixtrans-56.4141.2172.2-26.934000112.1W436 T438P391-W436 VanDerWaalsContact CD-CB 3.45Å; P391-W436 HydrophobicContact CG-CB 4.11Å; P391-T438 WeakPolarHBondContact CB-OG1 3.12Å
392Q75.8Confident79.3Confident94 Ų9449.3 Ų49.344%0.43928%0.283SS..PPolyproline II helixtrans-72132.1179.3-172.1173.43.900110.6S396Q392-S396 WeakPolarHBondContact CG-O 3.45Å; Q392-S396 PolarHBondContact NE2-O 3.49Å
393S61.4Low79.4Confident48 Ų4849.2 Ų49.234%0.33628%0.282SS..PPolyproline II helixtrans-82.1141.5164.4-1800000109.3S395 S396S393-S395 PolarHBondContact O-N 3.06Å; S393-S395 PolarHBondContact OG-OG 2.82Å; S393-S396 PolarHBondContact O-N 2.84Å; S393-S396 PolarHBondContact O-OG 2.92Å
394E48.3Very low79.6Confident211 Ų21147 Ų4799%0.98627%0.271SS*.THydrogen-bonded Turntrans-54.2-21.8177.5-60.1-174.6151.200113.3
395S40.3Very low79.6Confident108 Ų10847 Ų4776%0.75527%0.271SS*.THydrogen-bonded Turntrans-87.7-017955.10000115.7S393S393-S395 PolarHBondContact O-N 3.06Å; S393-S395 PolarHBondContact OG-OG 2.82Å
396S42.9Very low79.5Confident51 Ų5143.6 Ų43.636%0.35726%0.258SS..  trans-132.8130.6-172.257.70000113.4Q392 S393Q392-S396 WeakPolarHBondContact CG-O 3.45Å; Q392-S396 PolarHBondContact NE2-O 3.49Å; S393-S396 PolarHBondContact O-N 2.84Å; S393-S396 PolarHBondContact O-OG 2.92Å
397A41.3Very low79.4Confident103 Ų10343.5 Ų43.585%0.85126%0.259SS*.SBendtrans-82.4115.4172.500000110.6
398G54.5Low79.3Confident22 Ų2244.6 Ų44.623%0.22726%0.264CS..SBendtrans71.7118.6174.700000114R400G398-R400 PolarHBondContact O-N 2.64Å; G398-R400 VanDerWaalsContact O-N 3.07Å
399S68.1Low79.2Confident10 Ų1043.4 Ų43.47%0.0725%0.254CS..  trans-79.194.7172.7-170.50000110.4F389 Q390 L401F389-S399 VanDerWaalsContact CD1-O 3.23Å; F389-S399 WeakPolarHBondContact CD1-O 3.45Å; Q390-S399 WeakPolarHBondContact O-CB 3.36Å; Q390-S399 PolarHBondContact O-OG 3.04Å; S399-L401 PolarHBondContact O-N 3.05Å
400R87.7Confident79.3Confident95 Ų9542.4 Ų42.436%0.35825%0.25SC..  trans-78.92.5177.863.4176.9155.8133.5-15.1114.8Y103 G398 D414 C415 Y728Y103-R400 PolarHBondContact OH-NH1 2.7Å; Y103-R400 VanDerWaalsContact OH-NH1 3.1Å; Y103-R400 PolarHBondContact OH-NH2 2.96Å; G398-R400 PolarHBondContact O-N 2.64Å; G398-R400 VanDerWaalsContact O-N 3.07Å; R400-D414 VanDerWaalsContact CD-OD2 3.3Å; R400-D414 WeakPolarHBondContact CD-OD2 3.43Å; R400-D414 IonicContact CZ-OD2 2.71Å; R400-D414 IonicContact NE-OD2 2.81Å; R400-D414 IonicContact NH1-OD2 2.79Å; R400-D414 PolarHBondContact NH1-OD2 3.19Å; R400-C415 PolarHBondContact O-N 3.05Å; R400-Y728 HydrophobicContact CB-CE2 4.14Å
401L93.6Very high79.4Confident13 Ų1340.2 Ų40.27%0.06824%0.24CC..EExtended strand (participates in β ladder)trans-101.8119179.7-66-165.8000111.6L102 F389 Q390 S399 V412 I413 D414 M421L102-L401 HydrophobicContact CD1-CD1 4.44Å; L102-L401 HydrophobicContact CD2-CD1 4.13Å; F389-L401 WeakPolarHBondContact CA-O 3.37Å; Q390-L401 HydrophobicContact CB-CB 4.33Å; Q390-L401 PolarHBondContact N-O 3Å; S399-L401 PolarHBondContact O-N 3.05Å; L401-V412 HydrophobicContact CB-CG1 4.34Å; L401-V412 HydrophobicContact CD1-CG1 4.2Å; L401-I413 WeakPolarHBondContact CA-O 3.47Å; L401-D414 HydrophobicContact CD2-CB 3.82Å; L401-M421 HydrophobicContact CD2-CG 4.15Å
402V96.8Very high79.8Confident0 Ų038.3 Ų38.30%023%0.227CC..EExtended strand (participates in β ladder)trans-104.6138170.669.90000109.8C387 F389 T404 V412 I413 C415 V730C387-V402 HydrophobicContact CB-CG2 4.17Å; F389-V402 HydrophobicContact CD1-CB 4.1Å; F389-V402 HydrophobicContact CD2-CG2 4.19Å; F389-V402 HydrophobicContact CE1-CB 3.99Å; F389-V402 HydrophobicContact CE2-CB 4.39Å; F389-V402 HydrophobicContact CE2-CG2 4.14Å; F389-V402 HydrophobicContact CG-CB 4.4Å; F389-V402 HydrophobicContact CG-CG2 4.44Å; F389-V402 HydrophobicContact CZ-CB 4.15Å; F389-V402 HydrophobicContact CZ-CG2 4.37Å; V402-T404 HydrophobicContact CG1-CG2 4.3Å; V402-T404 HydrophobicContact CG2-CG2 4.31Å; V402-V412 CarbonylContact O-C 3.28Å; V402-V412 WeakPolarHBondContact O-CA 3.46Å; V402-I413 HydrophobicContact CG1-CB 3.85Å; V402-I413 PolarHBondContact N-O 3.13Å; V402-I413 PolarHBondContact O-N 3.09Å; V402-C415 VanDerWaalsContact CG1-SG 3.55Å; V402-V730 HydrophobicContact CB-CG2 4.31Å; V402-V730 HydrophobicContact CG1-CG1 4.44Å; V402-V730 HydrophobicContact CG1-CG2 4.09Å; V402-V730 HydrophobicContact CG2-CB 4.38Å; V402-V730 HydrophobicContact CG2-CG1 4.27Å; V402-V730 HydrophobicContact CG2-CG2 4.23Å
403A97.9Very high80.8Confident0 Ų033.9 Ų33.90%021%0.207CC..EExtended strand (participates in β ladder)trans-97.2141.3163.400000109.5C387 A388 C411 V412 L434 W436 L455C387-A403 CarbonylContact C-O 3.44Å; C387-A403 WeakPolarHBondContact CA-O 3.33Å; A388-A403 PolarHBondContact N-O 2.92Å; A388-A403 PolarHBondContact O-N 3.03Å; A403-C411 CarbonylContact C-O 3.52Å; A403-C411 VanDerWaalsContact CA-O 3.3Å; A403-C411 WeakPolarHBondContact CA-O 3.39Å; A403-V412 HydrophobicContact CB-CG2 4.41Å; A403-L434 HydrophobicContact CB-CD1 4.33Å; A403-L434 HydrophobicContact CB-CD2 3.9Å; A403-W436 HydrophobicContact CB-CZ2 3.88Å; A403-L455 HydrophobicContact CB-CD1 3.75Å; A403-L455 HydrophobicContact CB-CD2 3.66Å; A403-L455 HydrophobicContact CB-CG 4.39Å
404T98.4Very high82.3Confident0 Ų031.6 Ų31.60%019%0.191CC..EExtended strand (participates in β ladder)trans-133.5147.4178.9620000109.5H371 A386 C387 V402 V410 C411 I413 L732 V738H371-T404 PolarHBondContact CE1-O 2.85Å; H371-T404 VanDerWaalsContact CE1-O 3.24Å; H371-T404 PolarHBondContact NE2-OG1 3.25Å; A386-T404 WeakPolarHBondContact O-CA 3.41Å; C387-T404 HydrophobicContact CB-CG2 4.04Å; V402-T404 HydrophobicContact CG1-CG2 4.3Å; V402-T404 HydrophobicContact CG2-CG2 4.31Å; T404-V410 CarbonylContact O-C 3.5Å; T404-V410 WeakPolarHBondContact O-CA 3.5Å; T404-C411 PolarHBondContact N-O 2.79Å; T404-C411 PolarHBondContact O-N 3.33Å; T404-I413 HydrophobicContact CG2-CD1 4Å; T404-L732 HydrophobicContact CG2-CD2 3.83Å; T404-V738 HydrophobicContact CG2-CG1 4.35Å; T404-V738 HydrophobicContact CG2-CG2 4.38Å
405C97.7Very high84.5Confident0 Ų021.5 Ų21.50%014%0.144CC..EExtended strand (participates in β ladder)trans-134.2144.7171.367.50000113.8W385 A386 V410 F431 L434W385-C405 PolarHBondContact N-O 2.78Å; A386-C405 PolarHBondContact O-N 3.17Å; C405-V410 HydrophobicContact CB-CG2 4.05Å; C405-F431 HydrophobicContact CB-CB 3.65Å; C405-F431 HydrophobicContact CB-CG 4.45Å; C405-L434 HydrophobicContact CB-CD2 3.91Å
406G95.9Very high87Confident0 Ų020.1 Ų20.10%013%0.125CC..EExtended strand (participates in β ladder)trans-174.9142.9179.800000110.7H371 Q383 S409H371-G406 PolarHBondContact ND1-N 2.9Å; H371-G406 PolarHBondContact ND1-O 3.34Å; Q383-G406 WeakPolarHBondContact O-CA 3.36Å; G406-S409 PolarHBondContact N-O 2.85Å; G406-S409 VanDerWaalsContact N-O 3.12Å; G406-S409 PolarHBondContact O-N 3.29Å; G406-S409 VanDerWaalsContact O-O 3.1Å; G406-S409 PolarHBondContact O-OG 2.94Å
407G94.7Very high89.3Confident12 Ų1220.9 Ų20.912%0.12412%0.124CC..THydrogen-bonded Turntrans54.1-140.3-172.200000112.5S409 E430 F431G407-S409 PolarHBondContact O-N 3.13Å; G407-S409 VanDerWaalsContact O-N 3.16Å; G407-E430 WeakPolarHBondContact O-CA 3.45Å; G407-F431 PolarHBondContact O-N 3.33Å
408D94.6Very high91.8Very high35 Ų3516.6 Ų16.619%0.1879%0.09CC..THydrogen-bonded Turntrans-76.48.2-178.781.2-28.1000114.2K425 V426 E429D408-K425 CarbonylContact O-C 3.42Å; D408-K425 WeakPolarHBondContact O-CA 3.48Å; D408-V426 PolarHBondContact O-N 3.29Å; D408-E429 WeakPolarHBondContact CA-O 3.45Å
409S95.8Very high93.5Very high0 Ų021.1 Ų21.10%010%0.103CC..EExtended strand (participates in β ladder)trans-138.4151.7-164.569.80000117H371 G406 G407 Y424H371-S409 PolarHBondContact CE1-O 2.75Å; H371-S409 PolarHBondContact ND1-O 3.46Å; H371-S409 VanDerWaalsContact ND1-O 3.16Å; H371-S409 PolarHBondContact ND1-OG 2.88Å; G406-S409 PolarHBondContact N-O 2.85Å; G406-S409 VanDerWaalsContact N-O 3.12Å; G406-S409 PolarHBondContact O-N 3.29Å; G406-S409 VanDerWaalsContact O-O 3.1Å; G406-S409 PolarHBondContact O-OG 2.94Å; G407-S409 PolarHBondContact O-N 3.13Å; G407-S409 VanDerWaalsContact O-N 3.16Å; S409-Y424 CarbonylContact C-O 3.34Å; S409-Y424 WeakPolarHBondContact CA-O 3.27Å; S409-Y424 VanDerWaalsContact CB-O 3.28Å; S409-Y424 WeakPolarHBondContact CB-O 3.45Å
410V97.3Very high94.7Very high0 Ų023.6 Ų23.60%012%0.117CC..EExtended strand (participates in β ladder)trans-121.8125.6172.2-174.10000107.8T404 C405 Y424 F431 L434 L455 A457T404-V410 CarbonylContact O-C 3.5Å; T404-V410 WeakPolarHBondContact O-CA 3.5Å; C405-V410 HydrophobicContact CB-CG2 4.05Å; V410-Y424 PolarHBondContact N-O 2.96Å; V410-Y424 PolarHBondContact O-N 3.41Å; V410-F431 HydrophobicContact CG2-CB 4.5Å; V410-F431 HydrophobicContact CG2-CD1 3.92Å; V410-F431 HydrophobicContact CG2-CD2 3.76Å; V410-F431 HydrophobicContact CG2-CE1 3.96Å; V410-F431 HydrophobicContact CG2-CE2 3.81Å; V410-F431 HydrophobicContact CG2-CG 3.81Å; V410-F431 HydrophobicContact CG2-CZ 3.9Å; V410-L434 HydrophobicContact CG1-CD2 4.29Å; V410-L455 HydrophobicContact CG1-CD2 3.72Å; V410-A457 HydrophobicContact CG2-CB 3.76Å
411C96.6Very high94.8Very high0 Ų020.7 Ų20.70%011%0.109CC..EExtended strand (participates in β ladder)trans-112.3142.2178.8-63.80000109.7H371 A403 T404 I413 V420 K422H371-C411 VanDerWaalsContact CE1-SG 3.51Å; A403-C411 CarbonylContact C-O 3.52Å; A403-C411 VanDerWaalsContact CA-O 3.3Å; A403-C411 WeakPolarHBondContact CA-O 3.39Å; T404-C411 PolarHBondContact N-O 2.79Å; T404-C411 PolarHBondContact O-N 3.33Å; C411-I413 HydrophobicContact CB-CD1 4.45Å; C411-I413 HydrophobicContact CB-CG1 4.2Å; C411-V420 HydrophobicContact CB-CG1 4.09Å; C411-K422 WeakPolarHBondContact CA-O 3.39Å
412V96.6Very high94.6Very high3 Ų320.8 Ų20.82%0.01811%0.108CC..EExtended strand (participates in β ladder)trans-109.3127.8164-179.40000107.2L401 V402 A403 V420 M421 K422 W436 L455 P469L401-V412 HydrophobicContact CB-CG1 4.34Å; L401-V412 HydrophobicContact CD1-CG1 4.2Å; V402-V412 CarbonylContact O-C 3.28Å; V402-V412 WeakPolarHBondContact O-CA 3.46Å; A403-V412 HydrophobicContact CB-CG2 4.41Å; V412-V420 CarbonylContact O-C 3.57Å; V412-M421 PolarHBondContact O-N 3.07Å; V412-K422 HydrophobicContact CB-CB 4.42Å; V412-K422 PolarHBondContact N-O 2.96Å; V412-K422 PolarHBondContact O-N 3.31Å; V412-W436 HydrophobicContact CG1-CZ2 4.31Å; V412-W436 HydrophobicContact CG2-CZ2 4.32Å; V412-L455 HydrophobicContact CG2-CD2 4.31Å; V412-P469 HydrophobicContact CG2-CB 4.27Å; V412-P469 HydrophobicContact CG2-CG 4.42Å
413I96.2Very high94.4Very high0 Ų023.7 Ų23.70%012%0.121CC..EExtended strand (participates in β ladder)trans-126.4135.5-168.2-53.9173.7000109L368 L401 V402 T404 C411 K419 V420 V738 I740L368-I413 HydrophobicContact CD1-CD1 4.36Å; L368-I413 HydrophobicContact CD1-CG2 3.63Å; L401-I413 WeakPolarHBondContact CA-O 3.47Å; V402-I413 HydrophobicContact CG1-CB 3.85Å; V402-I413 PolarHBondContact N-O 3.13Å; V402-I413 PolarHBondContact O-N 3.09Å; T404-I413 HydrophobicContact CG2-CD1 4Å; C411-I413 HydrophobicContact CB-CD1 4.45Å; C411-I413 HydrophobicContact CB-CG1 4.2Å; I413-K419 CarbonylContact C-O 3.56Å; I413-K419 VanDerWaalsContact CA-O 3.32Å; I413-K419 WeakPolarHBondContact CA-O 3.34Å; I413-V420 HydrophobicContact CG1-CG2 4.37Å; I413-V738 HydrophobicContact CD1-CG1 4.19Å; I413-V738 HydrophobicContact CD1-CG2 4.26Å; I413-I740 HydrophobicContact CG2-CD1 4.16Å
414D93.9Very high94.1Very high0 Ų024.9 Ų24.90%013%0.126CC..EExtended strand (participates in β ladder)trans-84.6116.1166.5-172.7-60.2000109.6R400 L401 E416 M417 G418 K419 M421R400-D414 VanDerWaalsContact CD-OD2 3.3Å; R400-D414 WeakPolarHBondContact CD-OD2 3.43Å; R400-D414 IonicContact CZ-OD2 2.71Å; R400-D414 IonicContact NE-OD2 2.81Å; R400-D414 IonicContact NH1-OD2 2.79Å; R400-D414 PolarHBondContact NH1-OD2 3.19Å; L401-D414 HydrophobicContact CD2-CB 3.82Å; D414-E416 VanDerWaalsContact C-N 3.33Å; D414-E416 PolarHBondContact O-N 2.97Å; D414-E416 PolarHBondContact OD1-N 3.38Å; D414-M417 HydrophobicContact CB-CB 4.17Å; D414-M417 HydrophobicContact CB-CG 4.37Å; D414-M417 WeakPolarHBondContact OD1-CG 3.35Å; D414-M417 PolarHBondContact OD1-N 2.74Å; D414-G418 WeakPolarHBondContact O-CA 3.3Å; D414-G418 PolarHBondContact O-N 2.83Å; D414-K419 PolarHBondContact N-O 3.07Å; D414-K419 PolarHBondContact O-N 3.18Å; D414-M421 HydrophobicContact CB-CG 3.85Å; D414-M421 HydrophobicContact CB-SD 3.77Å
415C94.8Very high93.8Very high0 Ų028.4 Ų28.40%014%0.141CC..THydrogen-bonded Turntrans-70.3-25.3-174.2-68.40000113.9L365 H366 F389 R400 V402 Y728 I740L365-C415 WeakPolarHBondContact CD2-O 3.35Å; H366-C415 PolarHBondContact CD2-O 3.18Å; F389-C415 VanDerWaalsContact CE1-SG 3.59Å; R400-C415 PolarHBondContact O-N 3.05Å; V402-C415 VanDerWaalsContact CG1-SG 3.55Å; C415-Y728 HydrophobicContact CB-CD1 3.61Å; C415-Y728 HydrophobicContact CB-CD2 4.15Å; C415-Y728 HydrophobicContact CB-CE1 4.1Å; C415-Y728 HydrophobicContact CB-CG 3.65Å; C415-I740 HydrophobicContact CB-CD1 4.41Å; C415-I740 HydrophobicContact CB-CG2 4.04Å
416E92.8Very high93.5Very high78 Ų7829.5 Ų29.536%0.36415%0.147SC..THydrogen-bonded Turntrans-81.8-45177.2-178.670.615300110.3H366 D414 Y728 K742H366-E416 PolarHBondContact NE2-O 2.89Å; D414-E416 VanDerWaalsContact C-N 3.33Å; D414-E416 PolarHBondContact O-N 2.97Å; D414-E416 PolarHBondContact OD1-N 3.38Å; E416-Y728 HydrophobicContact CB-CE1 4.31Å; E416-Y728 PolarHBondContact OE2-OH 2.89Å; E416-K742 IonicContact OE1-NZ 2.74Å; E416-K742 PolarHBondContact OE1-NZ 3.04Å; E416-K742 WeakPolarHBondContact OE2-CE 3.38Å; E416-K742 IonicContact OE2-NZ 3.32Å; E416-K742 PolarHBondContact OE2-NZ 3.09Å
417M91Very high93.2Very high67 Ų6734.5 Ų34.533%0.3318%0.18SC..THydrogen-bonded Turntrans-79.8-17.8-176.9-57-177.889.300113.8D414 K419D414-M417 HydrophobicContact CB-CB 4.17Å; D414-M417 HydrophobicContact CB-CG 4.37Å; D414-M417 WeakPolarHBondContact OD1-CG 3.35Å; D414-M417 PolarHBondContact OD1-N 2.74Å; M417-K419 VanDerWaalsContact C-N 3.25Å; M417-K419 HydrophobicContact CB-CB 4.2Å; M417-K419 HydrophobicContact CB-CD 4.15Å; M417-K419 HydrophobicContact CB-CG 4.08Å; M417-K419 HydrophobicContact CE-CD 4.24Å; M417-K419 PolarHBondContact O-N 3.37Å
418G92.4Very high92.6Very high13 Ų1337 Ų3713%0.13421%0.205CC..THydrogen-bonded Turntrans6725.1-173.400000113.2H366 L368 D414H366-G418 VanDerWaalsContact CD2-CA 3.45Å; H366-G418 WeakPolarHBondContact CD2-CA 3.43Å; H366-G418 PolarHBondContact NE2-N 2.75Å; L368-G418 WeakPolarHBondContact CD2-O 3.34Å; D414-G418 WeakPolarHBondContact O-CA 3.3Å; D414-G418 PolarHBondContact O-N 2.83Å
419K91.4Very high92.4Very high118 Ų11835.5 Ų35.551%0.51320%0.197SC..EExtended strand (participates in β ladder)trans-111.6135.9-171-73.2-179.6-176.4178.40112.2I413 D414 M417 M421I413-K419 CarbonylContact C-O 3.56Å; I413-K419 VanDerWaalsContact CA-O 3.32Å; I413-K419 WeakPolarHBondContact CA-O 3.34Å; D414-K419 PolarHBondContact N-O 3.07Å; D414-K419 PolarHBondContact O-N 3.18Å; M417-K419 VanDerWaalsContact C-N 3.25Å; M417-K419 HydrophobicContact CB-CB 4.2Å; M417-K419 HydrophobicContact CB-CD 4.15Å; M417-K419 HydrophobicContact CB-CG 4.08Å; M417-K419 HydrophobicContact CE-CD 4.24Å; M417-K419 PolarHBondContact O-N 3.37Å; K419-M421 HydrophobicContact CB-SD 3.88Å; K419-M421 PolarHBondContact O-N 3.25Å
420V92.3Very high92.4Very high61 Ų6138.7 Ų38.737%0.3721%0.212SC..EExtended strand (participates in β ladder)trans-75.4107.9168.2-176.70000108.3C370 C411 V412 I413 K423C370-V420 HydrophobicContact CB-CG2 3.53Å; C411-V420 HydrophobicContact CB-CG1 4.09Å; V412-V420 CarbonylContact O-C 3.57Å; I413-V420 HydrophobicContact CG1-CG2 4.37Å; V420-K423 HydrophobicContact CG1-CB 4.12Å
421M89.5Confident92.4Very high35 Ų3538.8 Ų38.817%0.17221%0.213CC..EExtended strand (participates in β ladder)trans-79.7-38.1-175.3-55.7-49-60.800112.5Y103 L401 V412 D414 K419Y103-M421 HydrophobicContact CD1-CE 3.5Å; Y103-M421 VanDerWaalsContact CD1-CE 3.5Å; Y103-M421 HydrophobicContact CE1-CE 3.73Å; L401-M421 HydrophobicContact CD2-CG 4.15Å; V412-M421 PolarHBondContact O-N 3.07Å; D414-M421 HydrophobicContact CB-CG 3.85Å; D414-M421 HydrophobicContact CB-SD 3.77Å; K419-M421 HydrophobicContact CB-SD 3.88Å; K419-M421 PolarHBondContact O-N 3.25Å
422K90.3Very high92.5Very high14 Ų1440.3 Ų40.36%0.06122%0.219CC..EExtended strand (participates in β ladder)trans-143.8141.7175-45-72.8170.4-167.20108.3L102 I104 C411 V412 Y424 P469 N472L102-K422 WeakPolarHBondContact O-CE 3.49Å; L102-K422 PolarHBondContact O-NZ 3.06Å; I104-K422 PolarHBondContact O-NZ 3.46Å; C411-K422 WeakPolarHBondContact CA-O 3.39Å; V412-K422 HydrophobicContact CB-CB 4.42Å; V412-K422 PolarHBondContact N-O 2.96Å; V412-K422 PolarHBondContact O-N 3.31Å; K422-Y424 HydrophobicContact CB-CE2 3.85Å; K422-P469 WeakPolarHBondContact CE-O 3.27Å; K422-N472 HydrophobicContact CD-CB 4.24Å
423K92.1Very high92.5Very high62 Ų6240.7 Ų40.727%0.2722%0.222SC..EExtended strand (participates in β ladder)trans-132.4118.9173.8-177.2171.3-175.2-178.40110C370 D375 V420C370-K423 WeakPolarHBondContact O-CE 3.3Å; C370-K423 PolarHBondContact O-NZ 2.96Å; D375-K423 IonicContact OD1-NZ 2.75Å; D375-K423 PolarHBondContact OD1-NZ 2.71Å; V420-K423 HydrophobicContact CG1-CB 4.12Å
424Y92.6Very high92.6Very high25 Ų2541.1 Ų41.110%0.09823%0.225CC..EExtended strand (participates in β ladder)trans-99.9131.3175.5-56.5-84.8000108.6S409 V410 K422 I467 P469 N472S409-Y424 CarbonylContact C-O 3.34Å; S409-Y424 WeakPolarHBondContact CA-O 3.27Å; S409-Y424 VanDerWaalsContact CB-O 3.28Å; S409-Y424 WeakPolarHBondContact CB-O 3.45Å; V410-Y424 PolarHBondContact N-O 2.96Å; V410-Y424 PolarHBondContact O-N 3.41Å; K422-Y424 HydrophobicContact CB-CE2 3.85Å; Y424-I467 HydrophobicContact CD1-CG2 4.16Å; Y424-I467 HydrophobicContact CD2-CD1 4.09Å; Y424-I467 HydrophobicContact CD2-CG2 4.09Å; Y424-I467 HydrophobicContact CE1-CG2 3.67Å; Y424-I467 HydrophobicContact CE2-CG2 3.59Å; Y424-I467 HydrophobicContact CG-CD1 4.05Å; Y424-I467 HydrophobicContact CG-CG2 4.36Å; Y424-P469 WeakPolarHBondContact OH-CA 3.45Å; Y424-N472 WeakPolarHBondContact OH-CA 3Å; Y424-N472 PolarHBondContact OH-OD1 2.89Å
425K92.2Very high92.8Very high74 Ų7441.5 Ų41.532%0.32223%0.228SC..EExtended strand (participates in β ladder)trans-120.2141.4174.1-73-168.9171.7-177.40110.5D375 D408D375-K425 WeakPolarHBondContact OD1-CE 3.41Å; D375-K425 IonicContact OD1-NZ 2.69Å; D375-K425 PolarHBondContact OD1-NZ 2.88Å; D375-K425 IonicContact OD2-NZ 2.76Å; D375-K425 PolarHBondContact OD2-NZ 2.93Å; D408-K425 CarbonylContact O-C 3.42Å; D408-K425 WeakPolarHBondContact O-CA 3.48Å
426V91Very high92.9Very high22 Ų2242.5 Ų42.513%0.13323%0.232CC..  trans-136.494.8176-177.90000108.3D408 G428 E429 F431 K465D408-V426 PolarHBondContact O-N 3.29Å; V426-G428 PolarHBondContact O-N 2.63Å; V426-E429 HydrophobicContact CB-CB 3.88Å; V426-E429 HydrophobicContact CG1-CB 3.79Å; V426-E429 VanDerWaalsContact O-CB 3.31Å; V426-E429 WeakPolarHBondContact O-CB 3.41Å; V426-E429 PolarHBondContact O-N 3.02Å; V426-F431 HydrophobicContact CB-CE2 4.18Å; V426-F431 HydrophobicContact CB-CZ 4.21Å; V426-F431 HydrophobicContact CG2-CE2 4.13Å; V426-F431 HydrophobicContact CG2-CZ 3.83Å; V426-K465 HydrophobicContact CG2-CD 3.82Å
427P88.6Confident93Very high105 Ų10539.2 Ų39.268%0.68222%0.217SC*.THydrogen-bonded Turntrans-52132.3178.6-2936.5000112.5E429P427-E429 VanDerWaalsContact C-N 3.29Å; P427-E429 PolarHBondContact O-N 3.15Å
428G81.9Confident93Very high64 Ų6438.4 Ų38.466%0.6622%0.216SC*.THydrogen-bonded Turntrans76.94-177.900000115.8V426 R461V426-G428 PolarHBondContact O-N 2.63Å; G428-R461 WeakPolarHBondContact O-CD 3.37Å
429E92.1Very high92.8Very high4 Ų438.1 Ų38.12%0.01921%0.211CC..  trans-89.4152.9163.1-169.262.7-86.400110.5D408 V426 P427 F431 K460 R461D408-E429 WeakPolarHBondContact CA-O 3.45Å; V426-E429 HydrophobicContact CB-CB 3.88Å; V426-E429 HydrophobicContact CG1-CB 3.79Å; V426-E429 VanDerWaalsContact O-CB 3.31Å; V426-E429 WeakPolarHBondContact O-CB 3.41Å; V426-E429 PolarHBondContact O-N 3.02Å; P427-E429 VanDerWaalsContact C-N 3.29Å; P427-E429 PolarHBondContact O-N 3.15Å; E429-F431 HydrophobicContact CB-CE2 4.26Å; E429-F431 HydrophobicContact CG-CD1 4.12Å; E429-F431 HydrophobicContact CG-CD2 4.01Å; E429-F431 HydrophobicContact CG-CE1 3.96Å; E429-F431 HydrophobicContact CG-CE2 3.85Å; E429-F431 HydrophobicContact CG-CG 4.16Å; E429-F431 HydrophobicContact CG-CZ 3.83Å; E429-K460 PolarHBondContact OE1-N 2.58Å; E429-R461 WeakPolarHBondContact OE1-CB 3.2Å; E429-R461 WeakPolarHBondContact OE1-CG 3.46Å; E429-R461 PolarHBondContact OE1-N 3.48Å; E429-R461 WeakPolarHBondContact OE2-CB 3.23Å; E429-R461 WeakPolarHBondContact OE2-CD 3.44Å
430E95.3Very high92.5Very high67 Ų6737.7 Ų37.731%0.31321%0.214SC..  trans-127.6114.6157.3-73.3157.5-156.700107.5G407 F432 G459 K460G407-E430 WeakPolarHBondContact O-CA 3.45Å; E430-F432 HydrophobicContact CB-CE1 3.75Å; E430-F432 HydrophobicContact CB-CZ 3.78Å; E430-G459 CarbonylContact O-C 3.58Å; E430-G459 WeakPolarHBondContact O-CA 3.49Å; E430-K460 HydrophobicContact CB-CB 4Å; E430-K460 HydrophobicContact CB-CD 4.05Å; E430-K460 HydrophobicContact CG-CD 4.09Å; E430-K460 PolarHBondContact O-N 3.43Å; E430-K460 IonicContact OE1-NZ 3.83Å; E430-K460 PolarHBondContact OE1-NZ 2.82Å; E430-K460 WeakPolarHBondContact OE2-CD 3.49Å; E430-K460 IonicContact OE2-NZ 3.78Å; E430-K460 PolarHBondContact OE2-NZ 2.98Å
431F97.8Very high92Very high2 Ų235.8 Ų35.81%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-81.5124.5-178-69.3-79.8000111.1W385 C405 G407 V410 V426 E429 A457 K465W385-F431 VanDerWaalsContact CD1-O 3.31Å; C405-F431 HydrophobicContact CB-CB 3.65Å; C405-F431 HydrophobicContact CB-CG 4.45Å; G407-F431 PolarHBondContact O-N 3.33Å; V410-F431 HydrophobicContact CG2-CB 4.5Å; V410-F431 HydrophobicContact CG2-CD1 3.92Å; V410-F431 HydrophobicContact CG2-CD2 3.76Å; V410-F431 HydrophobicContact CG2-CE1 3.96Å; V410-F431 HydrophobicContact CG2-CE2 3.81Å; V410-F431 HydrophobicContact CG2-CG 3.81Å; V410-F431 HydrophobicContact CG2-CZ 3.9Å; V426-F431 HydrophobicContact CB-CE2 4.18Å; V426-F431 HydrophobicContact CB-CZ 4.21Å; V426-F431 HydrophobicContact CG2-CE2 4.13Å; V426-F431 HydrophobicContact CG2-CZ 3.83Å; E429-F431 HydrophobicContact CB-CE2 4.26Å; E429-F431 HydrophobicContact CG-CD1 4.12Å; E429-F431 HydrophobicContact CG-CD2 4.01Å; E429-F431 HydrophobicContact CG-CE1 3.96Å; E429-F431 HydrophobicContact CG-CE2 3.85Å; E429-F431 HydrophobicContact CG-CG 4.16Å; E429-F431 HydrophobicContact CG-CZ 3.83Å; F431-A457 HydrophobicContact CD1-CB 3.82Å; F431-A457 HydrophobicContact CE1-CB 3.82Å; F431-K465 HydrophobicContact CE1-CD 4.31Å; F431-K465 HydrophobicContact CZ-CD 4.1Å
432F97.2Very high91.4Very high32 Ų3236.4 Ų36.414%0.1421%0.209CC..EExtended strand (participates in β ladder)trans-110.3-25.9-179-55.5-43.4000112.8W385 E430 G458 K460W385-F432 VanDerWaalsContact CB-O 3.29Å; W385-F432 WeakPolarHBondContact CB-O 3.27Å; W385-F432 AromaticContact CD1-CD1 3.79Å; W385-F432 HydrophobicContact CD2-CD1 4.3Å; W385-F432 HydrophobicContact CG-CD1 4.13Å; W385-F432 AromaticContact NE1-CD1 3.73Å; W385-F432 AromaticContact NE1-CE1 3.98Å; E430-F432 HydrophobicContact CB-CE1 3.75Å; E430-F432 HydrophobicContact CB-CZ 3.78Å; F432-G458 PolarHBondContact N-O 3.2Å; F432-K460 HydrophobicContact CE2-CB 3.87Å; F432-K460 HydrophobicContact CZ-CB 4.06Å
433S97.9Very high90.4Very high11 Ų1140.2 Ų40.28%0.07722%0.223CC..EExtended strand (participates in β ladder)trans-146.6149.1-179.8-168.70000112.5G458 V487 L488S433-G458 PolarHBondContact N-O 2.8Å; S433-G458 VanDerWaalsContact N-O 3.11Å; S433-G458 PolarHBondContact O-N 3.04Å; S433-V487 WeakPolarHBondContact OG-CA 3.32Å; S433-L488 PolarHBondContact OG-N 2.94Å
434L98Very high89Confident10 Ų1038.6 Ų38.65%0.05222%0.224CC..EExtended strand (participates in β ladder)trans-139.6158.5173.96371.9000110.6A386 A388 A403 C405 V410 L455 A456 A457A386-L434 HydrophobicContact CB-CG 4.23Å; A388-L434 HydrophobicContact CB-CD1 3.59Å; A403-L434 HydrophobicContact CB-CD1 4.33Å; A403-L434 HydrophobicContact CB-CD2 3.9Å; C405-L434 HydrophobicContact CB-CD2 3.91Å; V410-L434 HydrophobicContact CG1-CD2 4.29Å; L434-L455 HydrophobicContact CB-CD1 4.17Å; L434-L455 HydrophobicContact CD1-CD1 4.19Å; L434-L455 HydrophobicContact CD2-CD1 4.47Å; L434-A456 CarbonylContact C-O 3.19Å; L434-A456 WeakPolarHBondContact CA-O 3.4Å; L434-A456 WeakPolarHBondContact CB-O 3.5Å; L434-A457 HydrophobicContact CB-CB 4.22Å
435A97.8Very high87.4Confident8 Ų846.4 Ų46.47%0.06627%0.265CS..EExtended strand (participates in β ladder)trans-149.2136.5172.300000110.1A456 L488 F490A435-A456 PolarHBondContact N-O 2.92Å; A435-A456 PolarHBondContact O-N 2.83Å; A435-L488 HydrophobicContact CB-CB 4.09Å; A435-F490 HydrophobicContact CB-CD2 3.68Å; A435-F490 HydrophobicContact CB-CE2 4.16Å; A435-F490 WeakPolarHBondContact O-CE2 3.46Å
436W96.2Very high85.7Confident21 Ų2148.8 Ų48.88%0.0829%0.291CS..EExtended strand (participates in β ladder)trans-88.7158.8167.9-72.999.7000111.6A388 F389 Q390 P391 A403 V412 I454 L455 P469 F490A388-W436 VanDerWaalsContact O-CD1 3.27Å; A388-W436 PolarHBondContact O-NE1 3.05Å; F389-W436 VanDerWaalsContact C-CD1 3.47Å; Q390-W436 HydrophobicContact CB-CD2 4Å; Q390-W436 HydrophobicContact CB-CE3 4.18Å; Q390-W436 HydrophobicContact CB-CH2 3.96Å; Q390-W436 HydrophobicContact CB-CZ2 3.77Å; Q390-W436 HydrophobicContact CB-CZ3 4.17Å; Q390-W436 HydrophobicContact CG-CD2 4.23Å; Q390-W436 HydrophobicContact CG-CE3 3.9Å; Q390-W436 HydrophobicContact CG-CH2 3.95Å; Q390-W436 HydrophobicContact CG-CZ2 4.28Å; Q390-W436 HydrophobicContact CG-CZ3 3.76Å; P391-W436 VanDerWaalsContact CD-CB 3.45Å; P391-W436 HydrophobicContact CG-CB 4.11Å; A403-W436 HydrophobicContact CB-CZ2 3.88Å; V412-W436 HydrophobicContact CG1-CZ2 4.31Å; V412-W436 HydrophobicContact CG2-CZ2 4.32Å; W436-I454 WeakPolarHBondContact CA-O 3.49Å; W436-L455 HydrophobicContact CD2-CB 4.26Å; W436-L455 HydrophobicContact CD2-CD1 3.99Å; W436-L455 HydrophobicContact CE3-CB 4.08Å; W436-L455 HydrophobicContact CG-CD1 4Å; W436-L455 HydrophobicContact CZ3-CB 4.29Å; W436-P469 HydrophobicContact CH2-CB 4.22Å; W436-P469 HydrophobicContact CH2-CG 3.7Å; W436-P469 HydrophobicContact CZ3-CG 3.79Å; W436-F490 WeakPolarHBondContact O-CD2 3.26Å
437T94.8Very high84.2Confident8 Ų849.6 Ų49.65%0.04930%0.3CS..EExtended strand (participates in β ladder)trans-152.9173.6165.2-172.50000110.8V439 S453 I454 F490 G495T437-V439 HydrophobicContact CG2-CG1 4.16Å; T437-S453 WeakPolarHBondContact O-CA 3.49Å; T437-I454 HydrophobicContact CG2-CD1 3.73Å; T437-I454 HydrophobicContact CG2-CG1 3.39Å; T437-I454 PolarHBondContact N-O 2.85Å; T437-I454 PolarHBondContact O-N 3.15Å; T437-F490 VanDerWaalsContact CB-CG 3.45Å; T437-F490 HydrophobicContact CG2-CD1 3.68Å; T437-F490 HydrophobicContact CG2-CD2 3.78Å; T437-F490 HydrophobicContact CG2-CE1 3.5Å; T437-F490 VanDerWaalsContact CG2-CE1 3.5Å; T437-F490 HydrophobicContact CG2-CE2 3.58Å; T437-F490 HydrophobicContact CG2-CG 3.82Å; T437-F490 HydrophobicContact CG2-CZ 3.45Å; T437-F490 VanDerWaalsContact CG2-CZ 3.45Å; T437-G495 WeakPolarHBondContact CB-O 3.21Å; T437-G495 VanDerWaalsContact CG2-O 3.27Å; T437-G495 WeakPolarHBondContact CG2-O 3.42Å; T437-G495 VanDerWaalsContact OG1-C 3.28Å; T437-G495 WeakPolarHBondContact OG1-CA 3.43Å; T437-G495 PolarHBondContact OG1-O 3.34Å
438T91.6Very high83.2Confident50 Ų5050 Ų5031%0.30730%0.304SS..EExtended strand (participates in β ladder)trans-117.3120.7168.3-56.20000108.9P391 P451 C452P391-T438 WeakPolarHBondContact CB-OG1 3.12Å; T438-P451 HydrophobicContact CG2-CB 3.55Å; T438-C452 CarbonylContact C-O 3.57Å; T438-C452 WeakPolarHBondContact CA-O 3.33Å
439V89.4Confident82.8Confident7 Ų750 Ų504%0.04229%0.293CS..EExtended strand (participates in β ladder)trans-111.2159.6174.3-65.50000110.3T437 C452 I454 N496 L515T437-V439 HydrophobicContact CG2-CG1 4.16Å; V439-C452 HydrophobicContact CG2-CB 4.47Å; V439-C452 PolarHBondContact N-O 3.24Å; V439-C452 PolarHBondContact O-N 3Å; V439-I454 HydrophobicContact CB-CD1 4.37Å; V439-I454 HydrophobicContact CG1-CD1 3.68Å; V439-I454 HydrophobicContact CG1-CG1 4.28Å; V439-I454 HydrophobicContact CG2-CD1 3.75Å; V439-I454 HydrophobicContact CG2-CG1 4.07Å; V439-I454 HydrophobicContact CG2-CG2 4.12Å; V439-N496 HydrophobicContact CG1-CB 4.44Å; V439-L515 HydrophobicContact CG2-CD1 4.09Å; V439-L515 HydrophobicContact CG2-CG 4.39Å
440L84.9Confident82.1Confident110 Ų11052.5 Ų52.558%0.57631%0.305SS*.EExtended strand (participates in β ladder)trans-80.9131.5172.1-65177.5000110.3G514 L515L440-G514 WeakPolarHBondContact O-CA 3.18Å; L440-L515 PolarHBondContact O-N 3.1Å; L440-L515 VanDerWaalsContact O-N 3.08Å
441M80.4Confident81.6Confident21 Ų2153.1 Ų53.110%0.10331%0.314CS..EExtended strand (participates in β ladder)trans-106.7122.7173.4179.4179.7-77.700110.7S449 Q450 C452 Y468 L515M441-S449 CarbonylContact O-C 3.52Å; M441-S449 VanDerWaalsContact O-CA 3.22Å; M441-S449 WeakPolarHBondContact O-CA 3.45Å; M441-Q450 PolarHBondContact N-O 2.86Å; M441-Q450 PolarHBondContact O-N 2.87Å; M441-C452 HydrophobicContact CB-CB 3.95Å; M441-C452 HydrophobicContact CE-CB 4.41Å; M441-Y468 HydrophobicContact CE-CD1 4.21Å; M441-Y468 HydrophobicContact CE-CE1 3.71Å; M441-L515 CarbonylContact C-O 3.58Å; M441-L515 VanDerWaalsContact CA-O 3.29Å; M441-L515 WeakPolarHBondContact CA-O 3.23Å; M441-L515 HydrophobicContact CB-CB 4.15Å; M441-L515 HydrophobicContact CE-CB 3.9Å; M441-L515 HydrophobicContact CE-CD1 3.72Å; M441-L515 HydrophobicContact CE-CG 4.38Å; M441-L515 HydrophobicContact CG-CB 4.08Å
442S77.3Confident81Confident48 Ų4853.3 Ų53.334%0.33632%0.316SS..EExtended strand (participates in β ladder)trans-83.3119.4173.7179.50000111.2L515 K517S442-L515 PolarHBondContact N-O 2.86Å; S442-K517 PolarHBondContact O-N 2.91Å
443R69.4Low80.7Confident93 Ų9352.8 Ų52.835%0.35132%0.317SS..  trans-90.6-9.8178.8-57.2-172.380.2131.911113.4D100 A447D100-R443 IonicContact OD2-CZ 3.52Å; D100-R443 IonicContact OD2-NH1 3.67Å; D100-R443 PolarHBondContact OD2-NH1 3.38Å; D100-R443 IonicContact OD2-NH2 2.69Å; D100-R443 PolarHBondContact OD2-NH2 3.5Å; R443-A447 HydrophobicContact CB-CB 3.91Å
444G62.6Low80.5Confident28 Ų2852.3 Ų52.329%0.28931%0.313SS..  trans155179.8178.600000113.2S446G444-S446 VanDerWaalsContact C-N 3.27Å; G444-S446 PolarHBondContact O-N 3.25Å
445I58.2Low80.4Confident189 Ų18951.9 Ų51.997%0.96931%0.311SS*.THydrogen-bonded Turntrans-64.2-30.4-176.4-61.6173000112.4
446S56.5Low80.4Confident124 Ų12451.5 Ų51.587%0.86731%0.307SS*.THydrogen-bonded Turntrans-112.64.3-175.254.10000114.6G444G444-S446 VanDerWaalsContact C-N 3.27Å; G444-S446 PolarHBondContact O-N 3.25Å
447A61.1Low80.5Confident39 Ų3950.5 Ų50.532%0.32230%0.304SS..SBendtrans-109.7132.4-176.800000110.6R443R443-A447 HydrophobicContact CB-CB 3.91Å
448P66.1Low80.7Confident115 Ų11550.1 Ų50.175%0.74730%0.301SS*.PPolyproline II helixtrans-63.5140.5179.427.2-34.6000111.1Q450P448-Q450 PolarHBondContact O-N 2.86Å
449S73.3Confident80.9Confident63 Ų6347.7 Ų47.744%0.44129%0.287SS..PPolyproline II helixtrans-65.4128.6177.9-58.20000111.1M441M441-S449 CarbonylContact O-C 3.52Å; M441-S449 VanDerWaalsContact O-CA 3.22Å; M441-S449 WeakPolarHBondContact O-CA 3.45Å
450Q79.4Confident81.2Confident57 Ų5751.2 Ų51.227%0.26630%0.301SS..EExtended strand (participates in β ladder)trans-100138.7-175.5-173.1167.4-6.400110.9M441 P448 C452M441-Q450 PolarHBondContact N-O 2.86Å; M441-Q450 PolarHBondContact O-N 2.87Å; P448-Q450 PolarHBondContact O-N 2.86Å; Q450-C452 PolarHBondContact O-N 2.8Å
451P83.2Confident81.5Confident79 Ų7950.6 Ų50.651%0.51329%0.291SS..EExtended strand (participates in β ladder)trans-62.4128.9170.524.4-33.5000110.9T438T438-P451 HydrophobicContact CG2-CB 3.55Å
452C85.8Confident82Confident7 Ų749.6 Ų49.65%0.04729%0.287CS..EExtended strand (participates in β ladder)trans-127.8122.1-174.4170.80000109.6T438 V439 M441 Q450 Y468T438-C452 CarbonylContact C-O 3.57Å; T438-C452 WeakPolarHBondContact CA-O 3.33Å; V439-C452 HydrophobicContact CG2-CB 4.47Å; V439-C452 PolarHBondContact N-O 3.24Å; V439-C452 PolarHBondContact O-N 3Å; M441-C452 HydrophobicContact CB-CB 3.95Å; M441-C452 HydrophobicContact CE-CB 4.41Å; Q450-C452 PolarHBondContact O-N 2.8Å; C452-Y468 VanDerWaalsContact SG-CD2 3.56Å; C452-Y468 WeakPolarHBondContact SG-CE2 3.42Å
453S91.4Very high82.8Confident21 Ų2148 Ų4815%0.14727%0.274CS..EExtended strand (participates in β ladder)trans-80.5124.9176.5-60.20000111.3Q390 T437Q390-S453 PolarHBondContact NE2-OG 2.88Å; T437-S453 WeakPolarHBondContact O-CA 3.49Å
454I93.4Very high84.1Confident1 Ų143.6 Ų43.61%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-126.9157177.660.5167.7000111W436 T437 V439 I467 Y468 Y475 I512 L515W436-I454 WeakPolarHBondContact CA-O 3.49Å; T437-I454 HydrophobicContact CG2-CD1 3.73Å; T437-I454 HydrophobicContact CG2-CG1 3.39Å; T437-I454 PolarHBondContact N-O 2.85Å; T437-I454 PolarHBondContact O-N 3.15Å; V439-I454 HydrophobicContact CB-CD1 4.37Å; V439-I454 HydrophobicContact CG1-CD1 3.68Å; V439-I454 HydrophobicContact CG1-CG1 4.28Å; V439-I454 HydrophobicContact CG2-CD1 3.75Å; V439-I454 HydrophobicContact CG2-CG1 4.07Å; V439-I454 HydrophobicContact CG2-CG2 4.12Å; I454-I467 WeakPolarHBondContact CA-O 3.45Å; I454-I467 WeakPolarHBondContact CB-O 3.41Å; I454-Y468 HydrophobicContact CG2-CD2 4.26Å; I454-Y475 WeakPolarHBondContact CD1-OH 3.41Å; I454-Y475 HydrophobicContact CG2-CE1 4.14Å; I454-I512 HydrophobicContact CD1-CD1 3.54Å; I454-L515 HydrophobicContact CG2-CD1 3.73Å
455L96.4Very high85.7Confident0 Ų043.5 Ų43.50%025%0.249CC..EExtended strand (participates in β ladder)trans-122.1122.1-176.8178.665.5000109.3A403 V410 V412 L434 W436 I467 P469A403-L455 HydrophobicContact CB-CD1 3.75Å; A403-L455 HydrophobicContact CB-CD2 3.66Å; A403-L455 HydrophobicContact CB-CG 4.39Å; V410-L455 HydrophobicContact CG1-CD2 3.72Å; V412-L455 HydrophobicContact CG2-CD2 4.31Å; L434-L455 HydrophobicContact CB-CD1 4.17Å; L434-L455 HydrophobicContact CD1-CD1 4.19Å; L434-L455 HydrophobicContact CD2-CD1 4.47Å; W436-L455 HydrophobicContact CD2-CB 4.26Å; W436-L455 HydrophobicContact CD2-CD1 3.99Å; W436-L455 HydrophobicContact CE3-CB 4.08Å; W436-L455 HydrophobicContact CG-CD1 4Å; W436-L455 HydrophobicContact CZ3-CB 4.29Å; L455-I467 HydrophobicContact CB-CB 4.35Å; L455-I467 PolarHBondContact N-O 2.93Å; L455-I467 WeakPolarHBondContact O-CB 3.5Å; L455-I467 PolarHBondContact O-N 2.94Å; L455-P469 HydrophobicContact CB-CG 4.15Å
456A97.9Very high87.5Confident0 Ų034.6 Ų34.60%020%0.203CC..EExtended strand (participates in β ladder)trans-95.4136.3166.300000109.4L434 A435 V464 K465 L466 L488 F490 L498L434-A456 CarbonylContact C-O 3.19Å; L434-A456 WeakPolarHBondContact CA-O 3.4Å; L434-A456 WeakPolarHBondContact CB-O 3.5Å; A435-A456 PolarHBondContact N-O 2.92Å; A435-A456 PolarHBondContact O-N 2.83Å; A456-V464 HydrophobicContact CB-CG1 4.07Å; A456-K465 WeakPolarHBondContact CA-O 3.14Å; A456-L466 HydrophobicContact CB-CD2 3.96Å; A456-L488 HydrophobicContact CB-CD2 3.81Å; A456-F490 HydrophobicContact CB-CE2 3.56Å; A456-F490 HydrophobicContact CB-CZ 3.75Å; A456-L498 HydrophobicContact CB-CD2 3.99Å
457A98.4Very high89.3Confident0 Ų028.9 Ų28.90%016%0.163CC..EExtended strand (participates in β ladder)trans-137147.517500000111.1V410 F431 L434 K465V410-A457 HydrophobicContact CG2-CB 3.76Å; F431-A457 HydrophobicContact CD1-CB 3.82Å; F431-A457 HydrophobicContact CE1-CB 3.82Å; L434-A457 HydrophobicContact CB-CB 4.22Å; A457-K465 PolarHBondContact N-O 2.84Å; A457-K465 PolarHBondContact O-N 2.87Å
458G97.9Very high90.6Very high0 Ų027.4 Ų27.40%015%0.149CC..EExtended strand (participates in β ladder)trans-162.9174.2179.500000114.1F432 S433 L463F432-G458 PolarHBondContact N-O 3.2Å; S433-G458 PolarHBondContact N-O 2.8Å; S433-G458 VanDerWaalsContact N-O 3.11Å; S433-G458 PolarHBondContact O-N 3.04Å; G458-L463 WeakPolarHBondContact CA-O 3.42Å
459G96.7Very high91.5Very high0 Ų022.3 Ų22.30%012%0.116CC..EExtended strand (participates in β ladder)trans171.6-132.5-176.300000113E430 R461 G462 S484 L485E430-G459 CarbonylContact O-C 3.58Å; E430-G459 WeakPolarHBondContact O-CA 3.49Å; G459-R461 VanDerWaalsContact C-N 3.33Å; G459-R461 PolarHBondContact O-N 2.84Å; G459-R461 VanDerWaalsContact O-N 3.12Å; G459-G462 PolarHBondContact O-N 3.16Å; G459-S484 WeakPolarHBondContact O-CA 3.35Å; G459-L485 PolarHBondContact O-N 3.11Å
460K94.9Very high91.7Very high80 Ų8022.7 Ų22.735%0.34811%0.108SC..THydrogen-bonded Turntrans-46-43.2-166.6-169.7175.8-161145.20115.7E429 E430 F432 G462 S484E429-K460 PolarHBondContact OE1-N 2.58Å; E430-K460 HydrophobicContact CB-CB 4Å; E430-K460 HydrophobicContact CB-CD 4.05Å; E430-K460 HydrophobicContact CG-CD 4.09Å; E430-K460 PolarHBondContact O-N 3.43Å; E430-K460 IonicContact OE1-NZ 3.83Å; E430-K460 PolarHBondContact OE1-NZ 2.82Å; E430-K460 WeakPolarHBondContact OE2-CD 3.49Å; E430-K460 IonicContact OE2-NZ 3.78Å; E430-K460 PolarHBondContact OE2-NZ 2.98Å; F432-K460 HydrophobicContact CE2-CB 3.87Å; F432-K460 HydrophobicContact CZ-CB 4.06Å; K460-G462 VanDerWaalsContact C-N 3.28Å; K460-G462 PolarHBondContact O-N 3.27Å; K460-S484 PolarHBondContact O-OG 3.04Å
461R90.9Very high91.4Very high98 Ų9822.5 Ų22.537%0.3711%0.109SC..THydrogen-bonded Turntrans-77.2-8.4-175.6-65.516953171.1-4.8114G428 E429 G459 L463 R479G428-R461 WeakPolarHBondContact O-CD 3.37Å; E429-R461 WeakPolarHBondContact OE1-CB 3.2Å; E429-R461 WeakPolarHBondContact OE1-CG 3.46Å; E429-R461 PolarHBondContact OE1-N 3.48Å; E429-R461 WeakPolarHBondContact OE2-CB 3.23Å; E429-R461 WeakPolarHBondContact OE2-CD 3.44Å; G459-R461 VanDerWaalsContact C-N 3.33Å; G459-R461 PolarHBondContact O-N 2.84Å; G459-R461 VanDerWaalsContact O-N 3.12Å; R461-L463 VanDerWaalsContact C-N 3.26Å; R461-L463 HydrophobicContact CB-CD1 4.31Å; R461-L463 HydrophobicContact CB-CG 4.14Å; R461-L463 PolarHBondContact O-N 3.32Å; R461-R479 PolarHBondContact O-NH1 3.12Å; R461-R479 PolarHBondContact O-NH2 3.44Å
462G90.3Very high91.2Very high0 Ų021.7 Ų21.70%010%0.1CC..SBendtrans7514.7-175.100000114.3G459 K460 A480 S481 K483G459-G462 PolarHBondContact O-N 3.16Å; K460-G462 VanDerWaalsContact C-N 3.28Å; K460-G462 PolarHBondContact O-N 3.27Å; G462-A480 PolarHBondContact O-N 3.39Å; G462-S481 PolarHBondContact O-N 2.79Å; G462-K483 WeakPolarHBondContact CA-O 3.49Å
463L94Very high91Very high14 Ų1424.2 Ų24.27%0.07311%0.113CC..EExtended strand (participates in β ladder)trans-97.3146.1177.3-57.5179.9000110.3G458 R461 F478 R479 L485G458-L463 WeakPolarHBondContact CA-O 3.42Å; R461-L463 VanDerWaalsContact C-N 3.26Å; R461-L463 HydrophobicContact CB-CD1 4.31Å; R461-L463 HydrophobicContact CB-CG 4.14Å; R461-L463 PolarHBondContact O-N 3.32Å; L463-F478 WeakPolarHBondContact CA-O 3.27Å; L463-R479 HydrophobicContact CD2-CB 3.77Å; L463-R479 HydrophobicContact CD2-CG 4.04Å; L463-L485 WeakPolarHBondContact O-CD1 3.24Å
464V97.8Very high90.8Very high0 Ų026.2 Ų26.20%013%0.13CC..EExtended strand (participates in β ladder)trans-101.7132160.5177.10000107.5A456 L466 E477 F478 A480 L485 L488 L498 T500A456-V464 HydrophobicContact CB-CG1 4.07Å; V464-L466 HydrophobicContact CG1-CD2 4Å; V464-E477 VanDerWaalsContact O-CA 3.24Å; V464-E477 WeakPolarHBondContact O-CA 3.35Å; V464-F478 HydrophobicContact CB-CD1 4Å; V464-F478 HydrophobicContact CB-CE1 3.56Å; V464-F478 HydrophobicContact CB-CE2 4.13Å; V464-F478 HydrophobicContact CB-CG 4.49Å; V464-F478 HydrophobicContact CB-CZ 3.64Å; V464-F478 HydrophobicContact CG1-CD1 4.32Å; V464-F478 HydrophobicContact CG1-CE1 3.58Å; V464-F478 HydrophobicContact CG1-CZ 3.86Å; V464-F478 HydrophobicContact CG2-CE1 4.26Å; V464-F478 HydrophobicContact CG2-CE2 4.06Å; V464-F478 HydrophobicContact CG2-CZ 3.8Å; V464-F478 PolarHBondContact N-O 3.36Å; V464-F478 PolarHBondContact O-N 3.27Å; V464-A480 HydrophobicContact CG2-CB 3.88Å; V464-L485 HydrophobicContact CG2-CD1 3.55Å; V464-L488 HydrophobicContact CG1-CD2 4.17Å; V464-L488 HydrophobicContact CG2-CD2 4.29Å; V464-L498 HydrophobicContact CG1-CD2 3.92Å; V464-T500 HydrophobicContact CG2-CG2 3.72Å
465K96.3Very high90.6Very high27 Ų2727.4 Ų27.412%0.11714%0.135CC..EExtended strand (participates in β ladder)trans-108.4129170.3-74.7171.9175.5-74.50109.3V426 F431 A456 A457 E477V426-K465 HydrophobicContact CG2-CD 3.82Å; F431-K465 HydrophobicContact CE1-CD 4.31Å; F431-K465 HydrophobicContact CZ-CD 4.1Å; A456-K465 WeakPolarHBondContact CA-O 3.14Å; A457-K465 PolarHBondContact N-O 2.84Å; A457-K465 PolarHBondContact O-N 2.87Å; K465-E477 HydrophobicContact CG-CB 4.04Å; K465-E477 IonicContact NZ-OE2 3.19Å; K465-E477 PolarHBondContact NZ-OE2 3.34Å
466L95.5Very high90.2Very high1 Ų127.9 Ų27.91%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-100.4118.8178-59.1178.6000108.9A456 V464 A474 Y475 G476 F478 I512 F521A456-L466 HydrophobicContact CB-CD2 3.96Å; V464-L466 HydrophobicContact CG1-CD2 4Å; L466-A474 CarbonylContact O-C 3.12Å; L466-A474 WeakPolarHBondContact O-CA 3.22Å; L466-Y475 HydrophobicContact CB-CD1 4.33Å; L466-Y475 HydrophobicContact CB-CD2 4.44Å; L466-Y475 HydrophobicContact CB-CE1 3.77Å; L466-Y475 HydrophobicContact CB-CE2 3.9Å; L466-Y475 HydrophobicContact CD1-CE2 4.02Å; L466-Y475 WeakPolarHBondContact O-CD1 3.43Å; L466-Y475 PolarHBondContact O-N 3.01Å; L466-G476 PolarHBondContact N-O 3.11Å; L466-G476 PolarHBondContact O-N 2.97Å; L466-F478 HydrophobicContact CD1-CD1 4.47Å; L466-F478 HydrophobicContact CD1-CE1 4.28Å; L466-F478 HydrophobicContact CD2-CE1 4.35Å; L466-F478 HydrophobicContact CG-CE1 4.32Å; L466-I512 HydrophobicContact CD1-CB 4.11Å; L466-I512 HydrophobicContact CD1-CD1 4.33Å; L466-I512 HydrophobicContact CD1-CG2 4.2Å; L466-I512 HydrophobicContact CD2-CD1 4Å; L466-I512 HydrophobicContact CD2-CG2 4.4Å; L466-F521 HydrophobicContact CD1-CD2 4Å
467I93.9Very high90Very high4 Ų432.4 Ų32.42%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-118.5134.3-172.6-54.8173.5000108.2Y424 I454 L455 P469 A474Y424-I467 HydrophobicContact CD1-CG2 4.16Å; Y424-I467 HydrophobicContact CD2-CD1 4.09Å; Y424-I467 HydrophobicContact CD2-CG2 4.09Å; Y424-I467 HydrophobicContact CE1-CG2 3.67Å; Y424-I467 HydrophobicContact CE2-CG2 3.59Å; Y424-I467 HydrophobicContact CG-CD1 4.05Å; Y424-I467 HydrophobicContact CG-CG2 4.36Å; I454-I467 WeakPolarHBondContact CA-O 3.45Å; I454-I467 WeakPolarHBondContact CB-O 3.41Å; L455-I467 HydrophobicContact CB-CB 4.35Å; L455-I467 PolarHBondContact N-O 2.93Å; L455-I467 WeakPolarHBondContact O-CB 3.5Å; L455-I467 PolarHBondContact O-N 2.94Å; I467-P469 HydrophobicContact CG2-CG 4.15Å; I467-P469 WeakPolarHBondContact O-CD 3.47Å; I467-A474 HydrophobicContact CG1-CB 4.33Å
468Y89.8Confident89.7Confident8 Ų833.5 Ų33.53%0.03117%0.165CC..EExtended strand (participates in β ladder)trans-10897.7168.2178-148.5000109D100 M441 C452 I454 R470 N471 N472 I473D100-Y468 PolarHBondContact OD1-OH 2.96Å; M441-Y468 HydrophobicContact CE-CD1 4.21Å; M441-Y468 HydrophobicContact CE-CE1 3.71Å; C452-Y468 VanDerWaalsContact SG-CD2 3.56Å; C452-Y468 WeakPolarHBondContact SG-CE2 3.42Å; I454-Y468 HydrophobicContact CG2-CD2 4.26Å; Y468-R470 HydrophobicContact CD2-CB 4.22Å; Y468-R470 HydrophobicContact CE1-CB 4.49Å; Y468-R470 HydrophobicContact CE2-CB 3.46Å; Y468-R470 VanDerWaalsContact CE2-CB 3.46Å; Y468-R470 PolarHBondContact O-N 2.82Å; Y468-R470 WeakPolarHBondContact OH-CD 3.29Å; Y468-N471 HydrophobicContact CD1-CB 3.79Å; Y468-N471 HydrophobicContact CE1-CB 3.73Å; Y468-N471 VanDerWaalsContact CE1-CG 3.4Å; Y468-N471 WeakPolarHBondContact CE1-OD1 3.32Å; Y468-N471 PolarHBondContact OH-OD1 2.81Å; Y468-N472 PolarHBondContact O-N 3Å; Y468-I473 PolarHBondContact N-O 2.94Å; Y468-I473 PolarHBondContact O-N 3.03Å
469P84.8Confident89.4Confident8 Ų839.6 Ų39.65%0.05219%0.189CC..THydrogen-bonded Turntrans-69.9-27.6-167.3-26.139.1000115.1V412 K422 Y424 W436 L455 I467 N472V412-P469 HydrophobicContact CG2-CB 4.27Å; V412-P469 HydrophobicContact CG2-CG 4.42Å; K422-P469 WeakPolarHBondContact CE-O 3.27Å; Y424-P469 WeakPolarHBondContact OH-CA 3.45Å; W436-P469 HydrophobicContact CH2-CB 4.22Å; W436-P469 HydrophobicContact CH2-CG 3.7Å; W436-P469 HydrophobicContact CZ3-CG 3.79Å; L455-P469 HydrophobicContact CB-CG 4.15Å; I467-P469 HydrophobicContact CG2-CG 4.15Å; I467-P469 WeakPolarHBondContact O-CD 3.47Å; P469-N472 PolarHBondContact O-N 3.46Å
470R77.2Confident89.3Confident72 Ų7240 Ų4027%0.27219%0.191SC..THydrogen-bonded Turntrans-59.6-50.2-179.9-158177.2-165.2-173.15.8111.1D78 D100 L102 Y468 N472D78-R470 IonicContact OD1-CZ 2.68Å; D78-R470 VanDerWaalsContact OD1-CZ 3.3Å; D78-R470 IonicContact OD1-NH1 3.87Å; D78-R470 PolarHBondContact OD1-NH1 3.29Å; D78-R470 VanDerWaalsContact OD1-NH1 3.08Å; D78-R470 IonicContact OD1-NH2 2.58Å; D78-R470 PolarHBondContact OD1-NH2 3.27Å; D100-R470 PolarHBondContact O-NE 2.9Å; D100-R470 PolarHBondContact O-NH2 3.08Å; D100-R470 WeakPolarHBondContact OD1-CD 3.45Å; D100-R470 IonicContact OD1-CZ 2.64Å; D100-R470 IonicContact OD1-NE 2.69Å; D100-R470 IonicContact OD1-NH1 2.71Å; D100-R470 PolarHBondContact OD1-NH1 3.21Å; L102-R470 HydrophobicContact CD1-CG 4.29Å; Y468-R470 HydrophobicContact CD2-CB 4.22Å; Y468-R470 HydrophobicContact CE1-CB 4.49Å; Y468-R470 HydrophobicContact CE2-CB 3.46Å; Y468-R470 VanDerWaalsContact CE2-CB 3.46Å; Y468-R470 PolarHBondContact O-N 2.82Å; Y468-R470 WeakPolarHBondContact OH-CD 3.29Å; R470-N472 VanDerWaalsContact C-N 3.33Å; R470-N472 PolarHBondContact O-N 2.86Å
471N72Confident89.2Confident52 Ų5236.5 Ų36.528%0.27818%0.177SC..THydrogen-bonded Turntrans-89.87.1179.5-69.846.2000113.6D99 Y468 I473D99-N471 PolarHBondContact OD1-ND2 2.77Å; D99-N471 VanDerWaalsContact OD1-ND2 3.16Å; Y468-N471 HydrophobicContact CD1-CB 3.79Å; Y468-N471 HydrophobicContact CE1-CB 3.73Å; Y468-N471 VanDerWaalsContact CE1-CG 3.4Å; Y468-N471 WeakPolarHBondContact CE1-OD1 3.32Å; Y468-N471 PolarHBondContact OH-OD1 2.81Å; N471-I473 VanDerWaalsContact C-N 3.33Å; N471-I473 HydrophobicContact CB-CD1 4.22Å; N471-I473 WeakPolarHBondContact O-CG1 3.42Å; N471-I473 PolarHBondContact O-N 3.5Å
472N79.1Confident88.8Confident62 Ų6242.5 Ų42.533%0.33220%0.2SC..THydrogen-bonded Turntrans57.734.5179.6-163.851.4000115.3K422 Y424 Y468 P469 R470K422-N472 HydrophobicContact CD-CB 4.24Å; Y424-N472 WeakPolarHBondContact OH-CA 3Å; Y424-N472 PolarHBondContact OH-OD1 2.89Å; Y468-N472 PolarHBondContact O-N 3Å; P469-N472 PolarHBondContact O-N 3.46Å; R470-N472 VanDerWaalsContact C-N 3.33Å; R470-N472 PolarHBondContact O-N 2.86Å
473I82Confident88.9Confident61 Ų6148.4 Ų48.431%0.31323%0.226SC..EExtended strand (participates in β ladder)trans-119131.7-173.9-72162.9000111.1Y468 N471Y468-I473 PolarHBondContact N-O 2.94Å; Y468-I473 PolarHBondContact O-N 3.03Å; N471-I473 VanDerWaalsContact C-N 3.33Å; N471-I473 HydrophobicContact CB-CD1 4.22Å; N471-I473 WeakPolarHBondContact O-CG1 3.42Å; N471-I473 PolarHBondContact O-N 3.5Å
474A88Confident88.9Confident62 Ų6249.2 Ų49.251%0.51223%0.233SC..EExtended strand (participates in β ladder)trans-86.4103.215800000107.6L466 I467L466-A474 CarbonylContact O-C 3.12Å; L466-A474 WeakPolarHBondContact O-CA 3.22Å; I467-A474 HydrophobicContact CG1-CB 4.33Å
475Y87.8Confident88.9Confident27 Ų2749.2 Ų49.211%0.10623%0.233CC..EExtended strand (participates in β ladder)trans-90.4-17.2-168.167.3-92.4000113.6I454 L466 L515 C519 F521I454-Y475 WeakPolarHBondContact CD1-OH 3.41Å; I454-Y475 HydrophobicContact CG2-CE1 4.14Å; L466-Y475 HydrophobicContact CB-CD1 4.33Å; L466-Y475 HydrophobicContact CB-CD2 4.44Å; L466-Y475 HydrophobicContact CB-CE1 3.77Å; L466-Y475 HydrophobicContact CB-CE2 3.9Å; L466-Y475 HydrophobicContact CD1-CE2 4.02Å; L466-Y475 WeakPolarHBondContact O-CD1 3.43Å; L466-Y475 PolarHBondContact O-N 3.01Å; Y475-L515 HydrophobicContact CD1-CD2 4.36Å; Y475-L515 HydrophobicContact CD2-CD2 3.8Å; Y475-L515 HydrophobicContact CE1-CD1 4.38Å; Y475-L515 HydrophobicContact CE1-CD2 4.23Å; Y475-L515 HydrophobicContact CE2-CD2 3.65Å; Y475-L515 HydrophobicContact CE2-CG 4.48Å; Y475-L515 HydrophobicContact CG-CD2 4.15Å; Y475-C519 HydrophobicContact CG-CB 4.26Å; Y475-F521 HydrophobicContact CD2-CB 3.95Å; Y475-F521 HydrophobicContact CD2-CD1 4.36Å; Y475-F521 HydrophobicContact CD2-CG 4.24Å; Y475-F521 HydrophobicContact CE2-CB 3.76Å; Y475-F521 HydrophobicContact CE2-CG 4.28Å; Y475-F521 WeakPolarHBondContact O-CD1 3.48Å
476G88.6Confident88.9Confident10 Ų1048.9 Ų48.910%0.10323%0.233CC..EExtended strand (participates in β ladder)trans-156.2155.8179.100000113.6L466L466-G476 PolarHBondContact N-O 3.11Å; L466-G476 PolarHBondContact O-N 2.97Å
477E93.3Very high89Confident94 Ų9449.3 Ų49.344%0.43924%0.236SC..EExtended strand (participates in β ladder)trans-140.1150.6164.466175.5-128.100110.5V464 K465V464-E477 VanDerWaalsContact O-CA 3.24Å; V464-E477 WeakPolarHBondContact O-CA 3.35Å; K465-E477 HydrophobicContact CG-CB 4.04Å; K465-E477 IonicContact NZ-OE2 3.19Å; K465-E477 PolarHBondContact NZ-OE2 3.34Å
478F92.7Very high89.2Confident23 Ų2349.3 Ų49.310%0.10124%0.236CC..EExtended strand (participates in β ladder)trans-147.8157.917467.7-85.4000111.2L463 V464 L466 A480 L498 W510 I512 V523L463-F478 WeakPolarHBondContact CA-O 3.27Å; V464-F478 HydrophobicContact CB-CD1 4Å; V464-F478 HydrophobicContact CB-CE1 3.56Å; V464-F478 HydrophobicContact CB-CE2 4.13Å; V464-F478 HydrophobicContact CB-CG 4.49Å; V464-F478 HydrophobicContact CB-CZ 3.64Å; V464-F478 HydrophobicContact CG1-CD1 4.32Å; V464-F478 HydrophobicContact CG1-CE1 3.58Å; V464-F478 HydrophobicContact CG1-CZ 3.86Å; V464-F478 HydrophobicContact CG2-CE1 4.26Å; V464-F478 HydrophobicContact CG2-CE2 4.06Å; V464-F478 HydrophobicContact CG2-CZ 3.8Å; V464-F478 PolarHBondContact N-O 3.36Å; V464-F478 PolarHBondContact O-N 3.27Å; L466-F478 HydrophobicContact CD1-CD1 4.47Å; L466-F478 HydrophobicContact CD1-CE1 4.28Å; L466-F478 HydrophobicContact CD2-CE1 4.35Å; L466-F478 HydrophobicContact CG-CE1 4.32Å; F478-A480 HydrophobicContact CD2-CB 4.47Å; F478-A480 HydrophobicContact CE2-CB 4.09Å; F478-A480 PolarHBondContact O-N 2.73Å; F478-L498 HydrophobicContact CZ-CD2 4.22Å; F478-W510 HydrophobicContact CD2-CD2 4.4Å; F478-W510 HydrophobicContact CD2-CE3 4.33Å; F478-W510 HydrophobicContact CD2-CZ3 4.42Å; F478-W510 AromaticContact CE2-CD2 3.61Å; F478-W510 HydrophobicContact CE2-CD2 3.61Å; F478-W510 AromaticContact CE2-CE2 3.75Å; F478-W510 AromaticContact CE2-CE3 3.96Å; F478-W510 HydrophobicContact CE2-CE3 3.96Å; F478-W510 AromaticContact CE2-CG 3.9Å; F478-W510 HydrophobicContact CE2-CG 3.9Å; F478-W510 HydrophobicContact CE2-CZ2 4.23Å; F478-W510 HydrophobicContact CE2-CZ3 4.39Å; F478-W510 HydrophobicContact CZ-CD2 4.33Å; F478-W510 HydrophobicContact CZ-CG 4.15Å; F478-I512 HydrophobicContact CE1-CG2 4.02Å; F478-I512 HydrophobicContact CZ-CG2 4.23Å; F478-V523 HydrophobicContact CB-CG2 4.38Å; F478-V523 HydrophobicContact CD1-CB 4.42Å; F478-V523 HydrophobicContact CD1-CG1 4.21Å; F478-V523 HydrophobicContact CD1-CG2 3.68Å; F478-V523 HydrophobicContact CD2-CG1 4.01Å; F478-V523 HydrophobicContact CE1-CG1 4.12Å; F478-V523 HydrophobicContact CE1-CG2 4.04Å; F478-V523 HydrophobicContact CE2-CG1 3.95Å; F478-V523 HydrophobicContact CG-CB 4.37Å; F478-V523 HydrophobicContact CG-CG1 4.13Å; F478-V523 HydrophobicContact CG-CG2 4.05Å; F478-V523 HydrophobicContact CZ-CG1 3.99Å
479R92.3Very high89.6Confident129 Ų12954.2 Ų54.249%0.48726%0.255SS..EExtended strand (participates in β ladder)trans-93.3100.7-178-173.9161.5-163.168-1.3110.7R461 L463 S481R461-R479 PolarHBondContact O-NH1 3.12Å; R461-R479 PolarHBondContact O-NH2 3.44Å; L463-R479 HydrophobicContact CD2-CB 3.77Å; L463-R479 HydrophobicContact CD2-CG 4.04Å; R479-S481 VanDerWaalsContact CG-O 3.3Å; R479-S481 WeakPolarHBondContact CG-O 3.34Å; R479-S481 VanDerWaalsContact CZ-O 3.23Å; R479-S481 PolarHBondContact NE-O 3.25Å
480A94Very high90.1Very high7 Ų754.5 Ų54.56%0.05826%0.255CS..  trans-80.6-32.617800000113G462 V464 F478 L485 T500 W510G462-A480 PolarHBondContact O-N 3.39Å; V464-A480 HydrophobicContact CG2-CB 3.88Å; F478-A480 HydrophobicContact CD2-CB 4.47Å; F478-A480 HydrophobicContact CE2-CB 4.09Å; F478-A480 PolarHBondContact O-N 2.73Å; A480-L485 HydrophobicContact CB-CD1 4.17Å; A480-L485 HydrophobicContact CB-CD2 4.05Å; A480-T500 HydrophobicContact CB-CG2 4.06Å; A480-W510 VanDerWaalsContact CA-CZ2 3.5Å; A480-W510 HydrophobicContact CB-CZ2 3.75Å
481S92.4Very high90.9Very high8 Ų851.2 Ų51.26%0.05624%0.243CC..  trans-144167.5174.5-178.30000112.5G462 R479 K483 D504G462-S481 PolarHBondContact O-N 2.79Å; R479-S481 VanDerWaalsContact CG-O 3.3Å; R479-S481 WeakPolarHBondContact CG-O 3.34Å; R479-S481 VanDerWaalsContact CZ-O 3.23Å; R479-S481 PolarHBondContact NE-O 3.25Å; S481-K483 PolarHBondContact OG-N 2.89Å; S481-D504 PolarHBondContact OG-OD1 3.17Å
482R84Confident91.6Very high223 Ų22354.2 Ų54.284%0.84226%0.255SS*.SBendtrans-86.7-10.6165.9-64.1-174.5-179-171.80.4112.9
483K91.3Very high92.1Very high125 Ų12557.9 Ų57.954%0.54326%0.264SS..SBendtrans-112.1172.7174.6-67.3-68.5-170.2169.50110.1G462 S481 D504G462-K483 WeakPolarHBondContact CA-O 3.49Å; S481-K483 PolarHBondContact OG-N 2.89Å; K483-D504 HydrophobicContact CB-CB 4.18Å; K483-D504 HydrophobicContact CG-CB 3.82Å
484S94.4Very high92.4Very high31 Ų3158.6 Ų58.622%0.21727%0.266CS..  trans-52.1145.1172.6-480000111.7G459 K460 S502 Y503G459-S484 WeakPolarHBondContact O-CA 3.35Å; K460-S484 PolarHBondContact O-OG 3.04Å; S484-S502 WeakPolarHBondContact O-CA 3.28Å; S484-S502 WeakPolarHBondContact O-CB 3.21Å; S484-Y503 WeakPolarHBondContact O-CD2 3.36Å; S484-Y503 PolarHBondContact O-N 3.27Å
485L97.7Very high92.5Very high0 Ų056.3 Ų56.30%025%0.249CC..EExtended strand (participates in β ladder)trans-83.6137.1165.6-50.2-172000109.1G459 L463 V464 A480 L488 G501G459-L485 PolarHBondContact O-N 3.11Å; L463-L485 WeakPolarHBondContact O-CD1 3.24Å; V464-L485 HydrophobicContact CG2-CD1 3.55Å; A480-L485 HydrophobicContact CB-CD1 4.17Å; A480-L485 HydrophobicContact CB-CD2 4.05Å; L485-L488 HydrophobicContact CB-CD1 4.21Å; L485-L488 HydrophobicContact CD1-CD1 4.1Å; L485-G501 WeakPolarHBondContact CA-O 3.33Å
486S96.3Very high92.7Very high19 Ų1957.2 Ų57.213%0.13326%0.255CS..EExtended strand (participates in β ladder)trans-99-37.4177.651.90000112G501 P535S486-G501 PolarHBondContact N-O 2.78Å; S486-G501 PolarHBondContact OG-O 3.41Å; S486-P535 VanDerWaalsContact CB-O 3.29Å; S486-P535 WeakPolarHBondContact CB-O 3.49Å; S486-P535 PolarHBondContact OG-O 3.36Å
487V97.3Very high93Very high10 Ų1057.9 Ų57.96%0.06126%0.256CS..EExtended strand (participates in β ladder)trans-147.7136-174.255.60000112S433 T500 G501 P535 I538S433-V487 WeakPolarHBondContact OG-CA 3.32Å; V487-T500 WeakPolarHBondContact O-CA 3.38Å; V487-G501 PolarHBondContact N-O 3.39Å; V487-G501 PolarHBondContact O-N 2.68Å; V487-P535 HydrophobicContact CG1-CB 4.42Å; V487-P535 WeakPolarHBondContact CG1-O 3.02Å; V487-I538 HydrophobicContact CG1-CD1 3.59Å; V487-I538 HydrophobicContact CG1-CG1 3.83Å; V487-I538 HydrophobicContact CG2-CB 4.29Å; V487-I538 HydrophobicContact CG2-CD1 4.48Å; V487-I538 HydrophobicContact CG2-CG1 4.33Å
488L98.3Very high93.2Very high5 Ų553.4 Ų53.43%0.02624%0.235CC..EExtended strand (participates in β ladder)trans-115.1137.8168.6-78.878.4000109.2S433 A435 A456 V464 L485 L498 F499 T500S433-L488 PolarHBondContact OG-N 2.94Å; A435-L488 HydrophobicContact CB-CB 4.09Å; A456-L488 HydrophobicContact CB-CD2 3.81Å; V464-L488 HydrophobicContact CG1-CD2 4.17Å; V464-L488 HydrophobicContact CG2-CD2 4.29Å; L485-L488 HydrophobicContact CB-CD1 4.21Å; L485-L488 HydrophobicContact CD1-CD1 4.1Å; L488-L498 HydrophobicContact CB-CD1 4.34Å; L488-F499 WeakPolarHBondContact CA-O 3.27Å; L488-T500 HydrophobicContact CG-CG2 4.45Å
489R97.3Very high93.5Very high110 Ų11052.5 Ų52.542%0.41523%0.23SC..EExtended strand (participates in β ladder)trans-151.2124.3175.4-161.670.4168.3-167.6-5.9111.5F499 I538R489-F499 PolarHBondContact N-O 2.97Å; R489-F499 WeakPolarHBondContact O-CB 3.32Å; R489-F499 PolarHBondContact O-N 2.93Å; R489-I538 HydrophobicContact CB-CB 4.33Å; R489-I538 HydrophobicContact CB-CG2 4.21Å
490F96.6Very high93.7Very high15 Ų1546.3 Ų46.37%0.06621%0.207CC..EExtended strand (participates in β ladder)trans-82.7154173.2-79.3-79.8000112.4A435 W436 T437 A456 G495 F497 L498 I512A435-F490 HydrophobicContact CB-CD2 3.68Å; A435-F490 HydrophobicContact CB-CE2 4.16Å; A435-F490 WeakPolarHBondContact O-CE2 3.46Å; W436-F490 WeakPolarHBondContact O-CD2 3.26Å; T437-F490 VanDerWaalsContact CB-CG 3.45Å; T437-F490 HydrophobicContact CG2-CD1 3.68Å; T437-F490 HydrophobicContact CG2-CD2 3.78Å; T437-F490 HydrophobicContact CG2-CE1 3.5Å; T437-F490 VanDerWaalsContact CG2-CE1 3.5Å; T437-F490 HydrophobicContact CG2-CE2 3.58Å; T437-F490 HydrophobicContact CG2-CG 3.82Å; T437-F490 HydrophobicContact CG2-CZ 3.45Å; T437-F490 VanDerWaalsContact CG2-CZ 3.45Å; A456-F490 HydrophobicContact CB-CE2 3.56Å; A456-F490 HydrophobicContact CB-CZ 3.75Å; F490-G495 VanDerWaalsContact CD1-O 3.26Å; F490-G495 WeakPolarHBondContact CD1-O 3.36Å; F490-F497 CarbonylContact C-O 3.54Å; F490-F497 WeakPolarHBondContact CA-O 3.32Å; F490-F497 WeakPolarHBondContact CD1-O 3.46Å; F490-L498 HydrophobicContact CD1-CB 3.87Å; F490-L498 HydrophobicContact CD1-CD1 4.05Å; F490-L498 HydrophobicContact CD2-CD1 3.95Å; F490-L498 HydrophobicContact CE1-CB 3.6Å; F490-L498 HydrophobicContact CE1-CD1 4.01Å; F490-L498 HydrophobicContact CE1-CD2 4.35Å; F490-L498 HydrophobicContact CE1-CG 4.18Å; F490-L498 HydrophobicContact CE2-CD1 3.92Å; F490-L498 HydrophobicContact CG-CD1 4.02Å; F490-L498 HydrophobicContact CZ-CB 4.21Å; F490-L498 HydrophobicContact CZ-CD1 3.95Å; F490-L498 HydrophobicContact CZ-CD2 4.12Å; F490-L498 HydrophobicContact CZ-CG 4.31Å; F490-I512 HydrophobicContact CE1-CD1 3.62Å; F490-I512 HydrophobicContact CE1-CG1 4.16Å; F490-I512 HydrophobicContact CZ-CD1 3.8Å
491N93.6Very high93.9Very high2 Ų246 Ų461%0.01121%0.205CC..  trans-73.2124.9164.9-178.8-14.8000109.7R493 Q494 F497 L540 D546N491-R493 VanDerWaalsContact C-N 3.29Å; N491-R493 PolarHBondContact O-N 3.46Å; N491-R493 PolarHBondContact OD1-N 3.01Å; N491-Q494 HydrophobicContact CB-CB 4.32Å; N491-Q494 CarbonylContact O-C 3.1Å; N491-Q494 PolarHBondContact OD1-N 3.1Å; N491-F497 HydrophobicContact CB-CB 4.01Å; N491-F497 PolarHBondContact N-O 2.8Å; N491-L540 HydrophobicContact CB-CD1 4.07Å; N491-D546 PolarHBondContact ND2-OD1 3.43Å
492H87.8Confident94.1Very high116 Ų11645.6 Ų45.654%0.53720%0.202SC..SBendtrans-78.9-6.1-176.267.179000114.3P542H492-P542 WeakPolarHBondContact NE2-CA 3.3Å; H492-P542 PolarHBondContact NE2-O 2.96Å
493R88.3Confident94.5Very high138 Ų13840 Ų4052%0.52118%0.181SC..SBendtrans-101.6-41.2166.8-71.9-174.8-176.2171.63112.2N491 P542 A543 P545 D546N491-R493 VanDerWaalsContact C-N 3.29Å; N491-R493 PolarHBondContact O-N 3.46Å; N491-R493 PolarHBondContact OD1-N 3.01Å; R493-P542 PolarHBondContact NH2-O 2.94Å; R493-A543 VanDerWaalsContact NH2-C 3.35Å; R493-A543 PolarHBondContact NH2-O 2.95Å; R493-P545 HydrophobicContact CB-CG 4.23Å; R493-P545 HydrophobicContact CG-CG 3.86Å; R493-D546 IonicContact NH1-OD2 3.7Å
494Q88.9Confident94.5Very high76 Ų7636.2 Ų36.236%0.35517%0.167SC..SBendtrans-108.282.2-179.4-62.1-179.4-27.500109N491 N496 F497N491-Q494 HydrophobicContact CB-CB 4.32Å; N491-Q494 CarbonylContact O-C 3.1Å; N491-Q494 PolarHBondContact OD1-N 3.1Å; Q494-N496 PolarHBondContact O-N 2.97Å; Q494-F497 HydrophobicContact CB-CB 4.31Å; Q494-F497 HydrophobicContact CB-CD2 4.31Å; Q494-F497 HydrophobicContact CB-CG 4.19Å; Q494-F497 PolarHBondContact O-N 3.21Å
495G89.8Confident94.5Very high14 Ų1437.4 Ų37.414%0.14417%0.171CC..THydrogen-bonded Turntrans-59.7-19.9-169.300000115.3T437 F490T437-G495 WeakPolarHBondContact CB-O 3.21Å; T437-G495 VanDerWaalsContact CG2-O 3.27Å; T437-G495 WeakPolarHBondContact CG2-O 3.42Å; T437-G495 VanDerWaalsContact OG1-C 3.28Å; T437-G495 WeakPolarHBondContact OG1-CA 3.43Å; T437-G495 PolarHBondContact OG1-O 3.34Å; F490-G495 VanDerWaalsContact CD1-O 3.26Å; F490-G495 WeakPolarHBondContact CD1-O 3.36Å
496N92.4Very high94.2Very high46 Ų4640.3 Ų40.325%0.24618%0.184CC..THydrogen-bonded Turntrans-80.4-8.2173.260.7-55.5000114.3V439 Q494 D511 I512 G513V439-N496 HydrophobicContact CG1-CB 4.44Å; Q494-N496 PolarHBondContact O-N 2.97Å; N496-D511 VanDerWaalsContact ND2-CG 3.3Å; N496-D511 PolarHBondContact ND2-OD1 3.41Å; N496-D511 PolarHBondContact ND2-OD2 3.39Å; N496-I512 VanDerWaalsContact O-CG1 3.25Å; N496-I512 WeakPolarHBondContact O-CG1 3.44Å; N496-I512 PolarHBondContact O-N 2.74Å; N496-G513 WeakPolarHBondContact CB-O 3.47Å
497F95.1Very high94.2Very high25 Ų2539.5 Ų39.511%0.1118%0.178CC..EExtended strand (participates in β ladder)trans-95.9113.9-179.9-77.916.1000111.4F490 N491 Q494 M509 W510 D511 L526 L564F490-F497 CarbonylContact C-O 3.54Å; F490-F497 WeakPolarHBondContact CA-O 3.32Å; F490-F497 WeakPolarHBondContact CD1-O 3.46Å; N491-F497 HydrophobicContact CB-CB 4.01Å; N491-F497 PolarHBondContact N-O 2.8Å; Q494-F497 HydrophobicContact CB-CB 4.31Å; Q494-F497 HydrophobicContact CB-CD2 4.31Å; Q494-F497 HydrophobicContact CB-CG 4.19Å; Q494-F497 PolarHBondContact O-N 3.21Å; F497-M509 HydrophobicContact CD2-CE 4.47Å; F497-M509 HydrophobicContact CD2-SD 4.11Å; F497-W510 CarbonylContact C-O 3.58Å; F497-W510 VanDerWaalsContact CA-O 3.3Å; F497-W510 WeakPolarHBondContact CA-O 3.17Å; F497-D511 HydrophobicContact CD1-CB 4.12Å; F497-D511 HydrophobicContact CE1-CB 3.93Å; F497-L526 HydrophobicContact CD1-CD1 3.91Å; F497-L526 HydrophobicContact CD2-CD1 3.95Å; F497-L526 HydrophobicContact CE1-CD1 3.6Å; F497-L526 HydrophobicContact CE2-CD1 3.65Å; F497-L526 HydrophobicContact CG-CD1 4.09Å; F497-L526 HydrophobicContact CZ-CD1 3.47Å; F497-L526 VanDerWaalsContact CZ-CD1 3.47Å; F497-L564 HydrophobicContact CE2-CD1 4.11Å; F497-L564 HydrophobicContact CZ-CD1 4.43Å
498L97.3Very high94.1Very high0 Ų039.6 Ų39.60%018%0.178CC..EExtended strand (participates in β ladder)trans-107.8129.4-179.8179.156.8000111.1A456 V464 F478 L488 F490 T500 M509 W510 I512A456-L498 HydrophobicContact CB-CD2 3.99Å; V464-L498 HydrophobicContact CG1-CD2 3.92Å; F478-L498 HydrophobicContact CZ-CD2 4.22Å; L488-L498 HydrophobicContact CB-CD1 4.34Å; F490-L498 HydrophobicContact CD1-CB 3.87Å; F490-L498 HydrophobicContact CD1-CD1 4.05Å; F490-L498 HydrophobicContact CD2-CD1 3.95Å; F490-L498 HydrophobicContact CE1-CB 3.6Å; F490-L498 HydrophobicContact CE1-CD1 4.01Å; F490-L498 HydrophobicContact CE1-CD2 4.35Å; F490-L498 HydrophobicContact CE1-CG 4.18Å; F490-L498 HydrophobicContact CE2-CD1 3.92Å; F490-L498 HydrophobicContact CG-CD1 4.02Å; F490-L498 HydrophobicContact CZ-CB 4.21Å; F490-L498 HydrophobicContact CZ-CD1 3.95Å; F490-L498 HydrophobicContact CZ-CD2 4.12Å; F490-L498 HydrophobicContact CZ-CG 4.31Å; L498-T500 HydrophobicContact CD2-CG2 4.26Å; L498-T500 HydrophobicContact CG-CG2 4.17Å; L498-M509 CarbonylContact O-C 3.39Å; L498-M509 WeakPolarHBondContact O-CA 3.3Å; L498-W510 PolarHBondContact N-O 2.96Å; L498-W510 PolarHBondContact O-N 2.86Å; L498-I512 HydrophobicContact CB-CG2 4.34Å; L498-I512 HydrophobicContact CD2-CG2 4.45Å
499F97.8Very high94Very high3 Ų339.7 Ų39.71%0.01318%0.178CC..EExtended strand (participates in β ladder)trans-94.8134.5164.6-65.6-95.9000110.3L488 R489 I507 I508 M509 I538 L540 L549 T562L488-F499 WeakPolarHBondContact CA-O 3.27Å; R489-F499 PolarHBondContact N-O 2.97Å; R489-F499 WeakPolarHBondContact O-CB 3.32Å; R489-F499 PolarHBondContact O-N 2.93Å; F499-I507 HydrophobicContact CB-CG2 4.4Å; F499-I507 HydrophobicContact CD1-CG2 4.04Å; F499-I508 CarbonylContact C-O 3.58Å; F499-I508 WeakPolarHBondContact CA-O 3.38Å; F499-M509 HydrophobicContact CD1-CB 4.01Å; F499-M509 HydrophobicContact CD1-CG 4.18Å; F499-M509 HydrophobicContact CE1-CB 3.84Å; F499-M509 HydrophobicContact CE1-CG 3.81Å; F499-M509 HydrophobicContact CE1-SD 3.67Å; F499-M509 HydrophobicContact CE2-CG 4.18Å; F499-M509 HydrophobicContact CE2-SD 3.95Å; F499-M509 HydrophobicContact CZ-CB 4.37Å; F499-M509 HydrophobicContact CZ-CG 3.82Å; F499-M509 HydrophobicContact CZ-SD 3.29Å; F499-M509 WeakPolarHBondContact CZ-SD 3.24Å; F499-I538 HydrophobicContact CB-CD1 4.5Å; F499-L540 HydrophobicContact CD2-CD1 4.24Å; F499-L540 HydrophobicContact CE2-CD1 3.96Å; F499-L540 HydrophobicContact CE2-CD2 3.82Å; F499-L540 HydrophobicContact CE2-CG 4.42Å; F499-L540 HydrophobicContact CZ-CD2 4.03Å; F499-L549 HydrophobicContact CD1-CD1 4Å; F499-L549 HydrophobicContact CD1-CD2 4.02Å; F499-L549 HydrophobicContact CE1-CD1 3.87Å; F499-L549 HydrophobicContact CE1-CD2 4.05Å; F499-L549 HydrophobicContact CE2-CD1 4.42Å; F499-L549 HydrophobicContact CG-CD1 4.33Å; F499-L549 HydrophobicContact CZ-CD1 4.08Å; F499-T562 HydrophobicContact CE1-CG2 3.91Å; F499-T562 HydrophobicContact CZ-CG2 4.14Å
500T98.4Very high93.9Very high0 Ų035.4 Ų35.40%016%0.162CC..EExtended strand (participates in β ladder)trans-123121.7172.161.10000110V464 A480 V487 L488 L498 I507 I508 W510V464-T500 HydrophobicContact CG2-CG2 3.72Å; A480-T500 HydrophobicContact CB-CG2 4.06Å; V487-T500 WeakPolarHBondContact O-CA 3.38Å; L488-T500 HydrophobicContact CG-CG2 4.45Å; L498-T500 HydrophobicContact CD2-CG2 4.26Å; L498-T500 HydrophobicContact CG-CG2 4.17Å; T500-I507 WeakPolarHBondContact O-CA 3.22Å; T500-I508 PolarHBondContact N-O 3.09Å; T500-I508 PolarHBondContact O-N 2.77Å; T500-I508 PolarHBondContact OG1-O 3.46Å; T500-W510 PolarHBondContact OG1-NE1 3.36Å
501G97.4Very high93.8Very high0 Ų036.4 Ų36.40%017%0.168CC..EExtended strand (participates in β ladder)trans-95.7145.6166.400000111.6L485 S486 V487 K506L485-G501 WeakPolarHBondContact CA-O 3.33Å; S486-G501 PolarHBondContact N-O 2.78Å; S486-G501 PolarHBondContact OG-O 3.41Å; V487-G501 PolarHBondContact N-O 3.39Å; V487-G501 PolarHBondContact O-N 2.68Å; G501-K506 WeakPolarHBondContact CA-O 3.28Å
502S95.5Very high93.7Very high0 Ų036.4 Ų36.40%017%0.168CC..EExtended strand (participates in β ladder)trans-146.8156-174.849.60000114.6S484 D504 N505 K506S484-S502 WeakPolarHBondContact O-CA 3.28Å; S484-S502 WeakPolarHBondContact O-CB 3.21Å; S502-D504 WeakPolarHBondContact CB-OD1 3.4Å; S502-D504 PolarHBondContact O-N 3.19Å; S502-D504 PolarHBondContact OG-OD1 3.01Å; S502-N505 PolarHBondContact O-N 3.23Å; S502-K506 PolarHBondContact N-O 2.92Å; S502-K506 VanDerWaalsContact N-O 3.12Å
503Y93.4Very high93.7Very high104 Ų10431.8 Ų31.841%0.40815%0.152SC..THydrogen-bonded Turntrans-70.621.6177.7-72.3-95.8000114.2S484 T534S484-Y503 WeakPolarHBondContact O-CD2 3.36Å; S484-Y503 PolarHBondContact O-N 3.27Å; Y503-T534 HydrophobicContact CD1-CG2 3.65Å; Y503-T534 HydrophobicContact CD2-CG2 4.29Å; Y503-T534 HydrophobicContact CE1-CG2 3.63Å; Y503-T534 HydrophobicContact CE2-CG2 4.31Å; Y503-T534 HydrophobicContact CG-CG2 4.01Å
504D91.4Very high93.3Very high46 Ų4627.4 Ų27.425%0.24615%0.15CC..THydrogen-bonded Turntrans-112.626.6161.271.7-46.9000111.8S481 K483 S502 K506S481-D504 PolarHBondContact OG-OD1 3.17Å; K483-D504 HydrophobicContact CB-CB 4.18Å; K483-D504 HydrophobicContact CG-CB 3.82Å; S502-D504 WeakPolarHBondContact CB-OD1 3.4Å; S502-D504 PolarHBondContact O-N 3.19Å; S502-D504 PolarHBondContact OG-OD1 3.01Å; D504-K506 PolarHBondContact O-N 3.31Å; D504-K506 IonicContact OD2-NZ 3.59Å; D504-K506 PolarHBondContact OD2-NZ 3.28Å
505N93.3Very high92.8Very high57 Ų5724 Ų2431%0.30513%0.134SC..THydrogen-bonded Turntrans52.549.2175.5-59.19.5000113.1S502 V531 G532 T533S502-N505 PolarHBondContact O-N 3.23Å; N505-V531 HydrophobicContact CB-CG2 4.11Å; N505-V531 VanDerWaalsContact O-CG2 3.27Å; N505-V531 WeakPolarHBondContact O-CG2 3.45Å; N505-V531 PolarHBondContact O-N 3.01Å; N505-G532 PolarHBondContact ND2-O 2.85Å; N505-T533 WeakPolarHBondContact ND2-CA 3.49Å
506K92.9Very high92Very high61 Ų6125.5 Ų25.527%0.26514%0.139SC..EExtended strand (participates in β ladder)trans-133.3154.9177.2-70.5169.9-157.9143.70112.1G501 S502 D504 I508 T528 L529 E530G501-K506 WeakPolarHBondContact CA-O 3.28Å; S502-K506 PolarHBondContact N-O 2.92Å; S502-K506 VanDerWaalsContact N-O 3.12Å; D504-K506 PolarHBondContact O-N 3.31Å; D504-K506 IonicContact OD2-NZ 3.59Å; D504-K506 PolarHBondContact OD2-NZ 3.28Å; K506-I508 HydrophobicContact CB-CG1 4.47Å; K506-T528 HydrophobicContact CD-CG2 4.34Å; K506-T528 HydrophobicContact CG-CG2 4.46Å; K506-L529 WeakPolarHBondContact CA-O 3.39Å; K506-E530 HydrophobicContact CG-CG 4.44Å
507I96Very high90.8Very high1 Ų130.1 Ų30.11%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-120.9133.3158.9-58.8172.1000107.7F499 T500 L529 V531 P535 I538 L549 T551F499-I507 HydrophobicContact CB-CG2 4.4Å; F499-I507 HydrophobicContact CD1-CG2 4.04Å; T500-I507 WeakPolarHBondContact O-CA 3.22Å; I507-L529 HydrophobicContact CB-CB 4.33Å; I507-L529 PolarHBondContact N-O 2.87Å; I507-L529 PolarHBondContact O-N 3Å; I507-V531 HydrophobicContact CD1-CG1 3.94Å; I507-V531 HydrophobicContact CG1-CG1 4.13Å; I507-P535 HydrophobicContact CD1-CB 4.09Å; I507-P535 HydrophobicContact CG1-CB 4.03Å; I507-P535 HydrophobicContact CG1-CG 4.09Å; I507-I538 HydrophobicContact CD1-CD1 3.7Å; I507-I538 HydrophobicContact CD1-CG1 4.03Å; I507-I538 HydrophobicContact CG1-CD1 3.93Å; I507-I538 HydrophobicContact CG2-CD1 3.83Å; I507-L549 HydrophobicContact CD1-CD2 4.12Å; I507-L549 HydrophobicContact CG2-CD2 4.12Å; I507-T551 HydrophobicContact CD1-CG2 3.51Å; I507-T551 VanDerWaalsContact CD1-OG1 3.27Å; I507-T551 WeakPolarHBondContact CD1-OG1 3.14Å
508I95.2Very high89.6Confident12 Ų1234.7 Ų34.76%0.06218%0.178CC..EExtended strand (participates in β ladder)trans-124.2133.6178.8-53.1178.4000108.8F499 T500 K506 W510 Q525 L527 T528F499-I508 CarbonylContact C-O 3.58Å; F499-I508 WeakPolarHBondContact CA-O 3.38Å; T500-I508 PolarHBondContact N-O 3.09Å; T500-I508 PolarHBondContact O-N 2.77Å; T500-I508 PolarHBondContact OG1-O 3.46Å; K506-I508 HydrophobicContact CB-CG1 4.47Å; I508-W510 HydrophobicContact CB-CZ2 3.87Å; I508-W510 HydrophobicContact CD1-CZ2 3.94Å; I508-W510 HydrophobicContact CG2-CD2 4Å; I508-W510 HydrophobicContact CG2-CH2 4.05Å; I508-W510 HydrophobicContact CG2-CZ2 3.41Å; I508-W510 VanDerWaalsContact CG2-CZ2 3.41Å; I508-Q525 HydrophobicContact CG2-CG 3.41Å; I508-Q525 VanDerWaalsContact CG2-CG 3.41Å; I508-L527 WeakPolarHBondContact CA-O 3.09Å; I508-L527 WeakPolarHBondContact CG2-O 3.46Å; I508-T528 HydrophobicContact CG1-CG2 4.22Å
509M95.8Very high88.3Confident8 Ų835.8 Ų35.84%0.03919%0.185CC..EExtended strand (participates in β ladder)trans-99.4132.4172.7-169.6174.56700109.4F497 L498 F499 L526 L527 L564F497-M509 HydrophobicContact CD2-CE 4.47Å; F497-M509 HydrophobicContact CD2-SD 4.11Å; L498-M509 CarbonylContact O-C 3.39Å; L498-M509 WeakPolarHBondContact O-CA 3.3Å; F499-M509 HydrophobicContact CD1-CB 4.01Å; F499-M509 HydrophobicContact CD1-CG 4.18Å; F499-M509 HydrophobicContact CE1-CB 3.84Å; F499-M509 HydrophobicContact CE1-CG 3.81Å; F499-M509 HydrophobicContact CE1-SD 3.67Å; F499-M509 HydrophobicContact CE2-CG 4.18Å; F499-M509 HydrophobicContact CE2-SD 3.95Å; F499-M509 HydrophobicContact CZ-CB 4.37Å; F499-M509 HydrophobicContact CZ-CG 3.82Å; F499-M509 HydrophobicContact CZ-SD 3.29Å; F499-M509 WeakPolarHBondContact CZ-SD 3.24Å; M509-L526 HydrophobicContact CB-CB 4.5Å; M509-L526 HydrophobicContact CE-CB 3.72Å; M509-L526 HydrophobicContact CE-CD1 3.85Å; M509-L526 HydrophobicContact CE-CG 4.48Å; M509-L526 HydrophobicContact CG-CD1 4.3Å; M509-L526 PolarHBondContact O-N 3.46Å; M509-L527 HydrophobicContact CB-CB 4.11Å; M509-L527 HydrophobicContact CE-CB 4.1Å; M509-L527 PolarHBondContact N-O 3.42Å; M509-L527 PolarHBondContact O-N 3.38Å; M509-L564 HydrophobicContact CE-CD1 3.94Å; M509-L564 HydrophobicContact CE-CD2 3.65Å; M509-L564 HydrophobicContact CE-CG 3.88Å
510W95.6Very high87.1Confident20 Ų2040.4 Ų40.48%0.07621%0.21CC..EExtended strand (participates in β ladder)trans-125.3137.9-176.9-49.388.9000110.1F478 A480 F497 L498 T500 I508 V523 I524 Q525F478-W510 HydrophobicContact CD2-CD2 4.4Å; F478-W510 HydrophobicContact CD2-CE3 4.33Å; F478-W510 HydrophobicContact CD2-CZ3 4.42Å; F478-W510 AromaticContact CE2-CD2 3.61Å; F478-W510 HydrophobicContact CE2-CD2 3.61Å; F478-W510 AromaticContact CE2-CE2 3.75Å; F478-W510 AromaticContact CE2-CE3 3.96Å; F478-W510 HydrophobicContact CE2-CE3 3.96Å; F478-W510 AromaticContact CE2-CG 3.9Å; F478-W510 HydrophobicContact CE2-CG 3.9Å; F478-W510 HydrophobicContact CE2-CZ2 4.23Å; F478-W510 HydrophobicContact CE2-CZ3 4.39Å; F478-W510 HydrophobicContact CZ-CD2 4.33Å; F478-W510 HydrophobicContact CZ-CG 4.15Å; A480-W510 VanDerWaalsContact CA-CZ2 3.5Å; A480-W510 HydrophobicContact CB-CZ2 3.75Å; F497-W510 CarbonylContact C-O 3.58Å; F497-W510 VanDerWaalsContact CA-O 3.3Å; F497-W510 WeakPolarHBondContact CA-O 3.17Å; L498-W510 PolarHBondContact N-O 2.96Å; L498-W510 PolarHBondContact O-N 2.86Å; T500-W510 PolarHBondContact OG1-NE1 3.36Å; I508-W510 HydrophobicContact CB-CZ2 3.87Å; I508-W510 HydrophobicContact CD1-CZ2 3.94Å; I508-W510 HydrophobicContact CG2-CD2 4Å; I508-W510 HydrophobicContact CG2-CH2 4.05Å; I508-W510 HydrophobicContact CG2-CZ2 3.41Å; I508-W510 VanDerWaalsContact CG2-CZ2 3.41Å; W510-V523 HydrophobicContact CB-CG1 4.02Å; W510-V523 HydrophobicContact CD2-CG1 4.33Å; W510-V523 HydrophobicContact CE3-CG1 3.81Å; W510-V523 HydrophobicContact CG-CG1 4.46Å; W510-I524 CarbonylContact C-O 3.58Å; W510-I524 VanDerWaalsContact CA-O 3.31Å; W510-I524 WeakPolarHBondContact CA-O 3.45Å; W510-Q525 HydrophobicContact CD2-CG 4.48Å; W510-Q525 HydrophobicContact CE3-CB 3.83Å; W510-Q525 HydrophobicContact CE3-CG 3.94Å; W510-Q525 HydrophobicContact CH2-CB 4.42Å; W510-Q525 HydrophobicContact CH2-CG 4.03Å; W510-Q525 HydrophobicContact CZ3-CB 3.66Å; W510-Q525 HydrophobicContact CZ3-CG 3.72Å
511D94.1Very high86.2Confident35 Ų3544 Ų4419%0.18723%0.226CC..EExtended strand (participates in β ladder)trans-84.2122.7155-166.5-14000107.6N496 F497 G513 V523 I524 L526N496-D511 VanDerWaalsContact ND2-CG 3.3Å; N496-D511 PolarHBondContact ND2-OD1 3.41Å; N496-D511 PolarHBondContact ND2-OD2 3.39Å; F497-D511 HydrophobicContact CD1-CB 4.12Å; F497-D511 HydrophobicContact CE1-CB 3.93Å; D511-G513 WeakPolarHBondContact OD1-CA 3.48Å; D511-G513 PolarHBondContact OD1-N 3.06Å; D511-V523 CarbonylContact O-C 3.32Å; D511-V523 VanDerWaalsContact O-CA 3.25Å; D511-V523 WeakPolarHBondContact O-CA 3.45Å; D511-V523 WeakPolarHBondContact O-CG1 3.26Å; D511-I524 HydrophobicContact CB-CB 4.34Å; D511-I524 PolarHBondContact N-O 3.18Å; D511-I524 PolarHBondContact O-N 3.16Å; D511-L526 HydrophobicContact CB-CD1 4.06Å; D511-L526 HydrophobicContact CB-CD2 4.2Å; D511-L526 HydrophobicContact CB-CG 4.26Å
512I92.1Very high85.5Confident2 Ų251.4 Ų51.41%0.0126%0.258CS..  trans-96.2-2.1173.261.4156.4000113.1I454 L466 F478 F490 N496 L498 V523I454-I512 HydrophobicContact CD1-CD1 3.54Å; L466-I512 HydrophobicContact CD1-CB 4.11Å; L466-I512 HydrophobicContact CD1-CD1 4.33Å; L466-I512 HydrophobicContact CD1-CG2 4.2Å; L466-I512 HydrophobicContact CD2-CD1 4Å; L466-I512 HydrophobicContact CD2-CG2 4.4Å; F478-I512 HydrophobicContact CE1-CG2 4.02Å; F478-I512 HydrophobicContact CZ-CG2 4.23Å; F490-I512 HydrophobicContact CE1-CD1 3.62Å; F490-I512 HydrophobicContact CE1-CG1 4.16Å; F490-I512 HydrophobicContact CZ-CD1 3.8Å; N496-I512 VanDerWaalsContact O-CG1 3.25Å; N496-I512 WeakPolarHBondContact O-CG1 3.44Å; N496-I512 PolarHBondContact O-N 2.74Å; L498-I512 HydrophobicContact CB-CG2 4.34Å; L498-I512 HydrophobicContact CD2-CG2 4.45Å; I512-V523 HydrophobicContact CG2-CG1 4.26Å; I512-V523 HydrophobicContact CG2-CG2 4.38Å
513G86.6Confident85.3Confident19 Ų1953.2 Ų53.220%0.19627%0.269CS..  trans76.8-178.2-177.900000114.7N496 D511N496-G513 WeakPolarHBondContact CB-O 3.47Å; D511-G513 WeakPolarHBondContact OD1-CA 3.48Å; D511-G513 PolarHBondContact OD1-N 3.06Å
514G80.3Confident85.2Confident46 Ų4652 Ų5247%0.47427%0.269SS..  trans-88.6177.7161.800000111.5L440L440-G514 WeakPolarHBondContact O-CA 3.18Å
515L79.3Confident85.3Confident6 Ų654.5 Ų54.53%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-99.6141.4174.7-82.4164.8000111.1V439 L440 M441 S442 I454 Y475 C519V439-L515 HydrophobicContact CG2-CD1 4.09Å; V439-L515 HydrophobicContact CG2-CG 4.39Å; L440-L515 PolarHBondContact O-N 3.1Å; L440-L515 VanDerWaalsContact O-N 3.08Å; M441-L515 CarbonylContact C-O 3.58Å; M441-L515 VanDerWaalsContact CA-O 3.29Å; M441-L515 WeakPolarHBondContact CA-O 3.23Å; M441-L515 HydrophobicContact CB-CB 4.15Å; M441-L515 HydrophobicContact CE-CB 3.9Å; M441-L515 HydrophobicContact CE-CD1 3.72Å; M441-L515 HydrophobicContact CE-CG 4.38Å; M441-L515 HydrophobicContact CG-CB 4.08Å; S442-L515 PolarHBondContact N-O 2.86Å; I454-L515 HydrophobicContact CG2-CD1 3.73Å; Y475-L515 HydrophobicContact CD1-CD2 4.36Å; Y475-L515 HydrophobicContact CD2-CD2 3.8Å; Y475-L515 HydrophobicContact CE1-CD1 4.38Å; Y475-L515 HydrophobicContact CE1-CD2 4.23Å; Y475-L515 HydrophobicContact CE2-CD2 3.65Å; Y475-L515 HydrophobicContact CE2-CG 4.48Å; Y475-L515 HydrophobicContact CG-CD2 4.15Å; L515-C519 HydrophobicContact CD2-CB 3.92Å
516D71.8Confident85.3Confident44 Ų4453.7 Ų53.724%0.23528%0.275CS..EExtended strand (participates in β ladder)trans-98.3173161.988-20.3000111H518 C519 N520D516-H518 PolarHBondContact O-N 2.69Å; D516-H518 WeakPolarHBondContact OD1-CA 3.49Å; D516-H518 WeakPolarHBondContact OD1-CB 3.43Å; D516-H518 PolarHBondContact OD1-N 2.98Å; D516-H518 IonicContact OD1-ND1 2.74Å; D516-H518 IonicContact OD2-CE1 3.3Å; D516-H518 IonicContact OD2-CG 2.55Å; D516-H518 IonicContact OD2-ND1 2.69Å; D516-H518 PolarHBondContact OD2-ND1 2.85Å; D516-C519 PolarHBondContact O-N 3.24Å; D516-C519 PolarHBondContact OD1-N 2.93Å; D516-N520 WeakPolarHBondContact OD1-CB 3.14Å; D516-N520 PolarHBondContact OD1-N 2.95Å; D516-N520 PolarHBondContact OD1-ND2 3.03Å; D516-N520 PolarHBondContact OD2-ND2 3.42Å
517K68Low85.2Confident144 Ų14451.1 Ų51.163%0.62626%0.264SS*.THydrogen-bonded Turntrans-60.5-12177.368.6173.5-172.9170.30115.3S442S442-K517 PolarHBondContact O-N 2.91Å
518H69Low85Confident120 Ų12051.7 Ų51.756%0.55627%0.267SS*.THydrogen-bonded Turntrans-102-2.5175.9-43.1105.2000112.2D516 N520D516-H518 PolarHBondContact O-N 2.69Å; D516-H518 WeakPolarHBondContact OD1-CA 3.49Å; D516-H518 WeakPolarHBondContact OD1-CB 3.43Å; D516-H518 PolarHBondContact OD1-N 2.98Å; D516-H518 IonicContact OD1-ND1 2.74Å; D516-H518 IonicContact OD2-CE1 3.3Å; D516-H518 IonicContact OD2-CG 2.55Å; D516-H518 IonicContact OD2-ND1 2.69Å; D516-H518 PolarHBondContact OD2-ND1 2.85Å; H518-N520 VanDerWaalsContact C-N 3.26Å; H518-N520 PolarHBondContact O-N 3.29Å
519C71.1Confident84.8Confident23 Ų2351.2 Ų51.216%0.15527%0.265CS..  trans59.430.4-169.1-53.60000114.3Y475 L515 D516Y475-C519 HydrophobicContact CG-CB 4.26Å; L515-C519 HydrophobicContact CD2-CB 3.92Å; D516-C519 PolarHBondContact O-N 3.24Å; D516-C519 PolarHBondContact OD1-N 2.93Å
520N72.4Confident84.5Confident101 Ų10155 Ų5554%0.5428%0.283SS..  trans-59.3138167.7-70.5-52.2000109.8D516 H518D516-N520 WeakPolarHBondContact OD1-CB 3.14Å; D516-N520 PolarHBondContact OD1-N 2.95Å; D516-N520 PolarHBondContact OD1-ND2 3.03Å; D516-N520 PolarHBondContact OD2-ND2 3.42Å; H518-N520 VanDerWaalsContact C-N 3.26Å; H518-N520 PolarHBondContact O-N 3.29Å
521F78.3Confident84.3Confident75 Ų7554.8 Ų54.833%0.32928%0.283SS..  trans-134.5148.7178.980.4-71000110.9L466 Y475 V523L466-F521 HydrophobicContact CD1-CD2 4Å; Y475-F521 HydrophobicContact CD2-CB 3.95Å; Y475-F521 HydrophobicContact CD2-CD1 4.36Å; Y475-F521 HydrophobicContact CD2-CG 4.24Å; Y475-F521 HydrophobicContact CE2-CB 3.76Å; Y475-F521 HydrophobicContact CE2-CG 4.28Å; Y475-F521 WeakPolarHBondContact O-CD1 3.48Å; F521-V523 HydrophobicContact CD2-CG2 3.66Å; F521-V523 HydrophobicContact CE2-CG2 3.78Å
522K83Confident84Confident155 Ų15554.8 Ų54.867%0.67429%0.291SS*.  trans-139.2119.4174.1179.7-178.9177.4-178.20108.2I524K522-I524 HydrophobicContact CG-CG1 4.48Å
523V90.9Very high84.1Confident38 Ų3856.2 Ų56.223%0.2330%0.3CS..  trans-99.5133.8-179.6-170.50000109.9F478 W510 D511 I512 F521F478-V523 HydrophobicContact CB-CG2 4.38Å; F478-V523 HydrophobicContact CD1-CB 4.42Å; F478-V523 HydrophobicContact CD1-CG1 4.21Å; F478-V523 HydrophobicContact CD1-CG2 3.68Å; F478-V523 HydrophobicContact CD2-CG1 4.01Å; F478-V523 HydrophobicContact CE1-CG1 4.12Å; F478-V523 HydrophobicContact CE1-CG2 4.04Å; F478-V523 HydrophobicContact CE2-CG1 3.95Å; F478-V523 HydrophobicContact CG-CB 4.37Å; F478-V523 HydrophobicContact CG-CG1 4.13Å; F478-V523 HydrophobicContact CG-CG2 4.05Å; F478-V523 HydrophobicContact CZ-CG1 3.99Å; W510-V523 HydrophobicContact CB-CG1 4.02Å; W510-V523 HydrophobicContact CD2-CG1 4.33Å; W510-V523 HydrophobicContact CE3-CG1 3.81Å; W510-V523 HydrophobicContact CG-CG1 4.46Å; D511-V523 CarbonylContact O-C 3.32Å; D511-V523 VanDerWaalsContact O-CA 3.25Å; D511-V523 WeakPolarHBondContact O-CA 3.45Å; D511-V523 WeakPolarHBondContact O-CG1 3.26Å; I512-V523 HydrophobicContact CG2-CG1 4.26Å; I512-V523 HydrophobicContact CG2-CG2 4.38Å; F521-V523 HydrophobicContact CD2-CG2 3.66Å; F521-V523 HydrophobicContact CE2-CG2 3.78Å
524I93.2Very high84.4Confident79 Ų7955.7 Ų55.741%0.40529%0.293SS..EExtended strand (participates in β ladder)trans-124.7127.3179.2-55.2178.7000108.5W510 D511 K522 L526W510-I524 CarbonylContact C-O 3.58Å; W510-I524 VanDerWaalsContact CA-O 3.31Å; W510-I524 WeakPolarHBondContact CA-O 3.45Å; D511-I524 HydrophobicContact CB-CB 4.34Å; D511-I524 PolarHBondContact N-O 3.18Å; D511-I524 PolarHBondContact O-N 3.16Å; K522-I524 HydrophobicContact CG-CG1 4.48Å; I524-L526 HydrophobicContact CG2-CD2 4.19Å; I524-L526 PolarHBondContact O-N 3.12Å
525Q93.1Very high85.1Confident98 Ų9853.5 Ų53.546%0.45827%0.271SS..EExtended strand (participates in β ladder)trans-77.4121.6173.6-160.3-174-71.400109.8I508 W510 T528I508-Q525 HydrophobicContact CG2-CG 3.41Å; I508-Q525 VanDerWaalsContact CG2-CG 3.41Å; W510-Q525 HydrophobicContact CD2-CG 4.48Å; W510-Q525 HydrophobicContact CE3-CB 3.83Å; W510-Q525 HydrophobicContact CE3-CG 3.94Å; W510-Q525 HydrophobicContact CH2-CB 4.42Å; W510-Q525 HydrophobicContact CH2-CG 4.03Å; W510-Q525 HydrophobicContact CZ3-CB 3.66Å; W510-Q525 HydrophobicContact CZ3-CG 3.72Å; Q525-T528 PolarHBondContact NE2-OG1 3.28Å
526L91.8Very high85.8Confident41 Ų4154 Ų5422%0.21527%0.274CS..EExtended strand (participates in β ladder)trans-99-41.4-174.9-58179.1000113.1F497 M509 D511 I524 L564F497-L526 HydrophobicContact CD1-CD1 3.91Å; F497-L526 HydrophobicContact CD2-CD1 3.95Å; F497-L526 HydrophobicContact CE1-CD1 3.6Å; F497-L526 HydrophobicContact CE2-CD1 3.65Å; F497-L526 HydrophobicContact CG-CD1 4.09Å; F497-L526 HydrophobicContact CZ-CD1 3.47Å; F497-L526 VanDerWaalsContact CZ-CD1 3.47Å; M509-L526 HydrophobicContact CB-CB 4.5Å; M509-L526 HydrophobicContact CE-CB 3.72Å; M509-L526 HydrophobicContact CE-CD1 3.85Å; M509-L526 HydrophobicContact CE-CG 4.48Å; M509-L526 HydrophobicContact CG-CD1 4.3Å; M509-L526 PolarHBondContact O-N 3.46Å; D511-L526 HydrophobicContact CB-CD1 4.06Å; D511-L526 HydrophobicContact CB-CD2 4.2Å; D511-L526 HydrophobicContact CB-CG 4.26Å; I524-L526 HydrophobicContact CG2-CD2 4.19Å; I524-L526 PolarHBondContact O-N 3.12Å; L526-L564 HydrophobicContact CB-CD2 4.27Å; L526-L564 HydrophobicContact CD1-CD1 4.31Å
527L90.8Very high87Confident6 Ų654.2 Ų54.23%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-153.4143.9-172.5177.163.9000110.7I508 M509 L529 T562 R572I508-L527 WeakPolarHBondContact CA-O 3.09Å; I508-L527 WeakPolarHBondContact CG2-O 3.46Å; M509-L527 HydrophobicContact CB-CB 4.11Å; M509-L527 HydrophobicContact CE-CB 4.1Å; M509-L527 PolarHBondContact N-O 3.42Å; M509-L527 PolarHBondContact O-N 3.38Å; L527-L529 HydrophobicContact CD1-CD2 4.3Å; L527-L529 HydrophobicContact CD2-CD2 4.09Å; L527-L529 HydrophobicContact CD2-CG 4.3Å; L527-L529 HydrophobicContact CG-CD2 4.18Å; L527-L529 HydrophobicContact CG-CG 4.33Å; L527-T562 HydrophobicContact CD2-CG2 4.22Å; L527-R572 HydrophobicContact CD1-CG 4.14Å
528T92.1Very high88.3Confident13 Ų1347.6 Ų47.68%0.0824%0.244CC..EExtended strand (participates in β ladder)trans-121.9130.6167.6-57.80000110.3K506 I508 Q525 T570 K571 R572K506-T528 HydrophobicContact CD-CG2 4.34Å; K506-T528 HydrophobicContact CG-CG2 4.46Å; I508-T528 HydrophobicContact CG1-CG2 4.22Å; Q525-T528 PolarHBondContact NE2-OG1 3.28Å; T528-T570 PolarHBondContact N-O 2.58Å; T528-K571 WeakPolarHBondContact O-CA 3.22Å; T528-R572 PolarHBondContact O-N 2.84Å
529L91.5Very high89.6Confident2 Ų242.1 Ų42.11%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-113.5135.8172.2-56.6175000108.2K506 I507 L527 L549 Y560 T562 R572K506-L529 WeakPolarHBondContact CA-O 3.39Å; I507-L529 HydrophobicContact CB-CB 4.33Å; I507-L529 PolarHBondContact N-O 2.87Å; I507-L529 PolarHBondContact O-N 3Å; L527-L529 HydrophobicContact CD1-CD2 4.3Å; L527-L529 HydrophobicContact CD2-CD2 4.09Å; L527-L529 HydrophobicContact CD2-CG 4.3Å; L527-L529 HydrophobicContact CG-CD2 4.18Å; L527-L529 HydrophobicContact CG-CG 4.33Å; L529-L549 HydrophobicContact CD1-CD2 3.81Å; L529-Y560 HydrophobicContact CB-CD1 4.38Å; L529-Y560 HydrophobicContact CD1-CD1 4.19Å; L529-Y560 HydrophobicContact CD1-CG 3.95Å; L529-Y560 HydrophobicContact CD2-CD1 4.17Å; L529-Y560 HydrophobicContact CG-CD1 4.48Å; L529-T562 HydrophobicContact CD1-CG2 4.47Å; L529-R572 HydrophobicContact CD2-CB 4.02Å
530E90.1Very high90.7Very high89 Ų8941.6 Ų41.642%0.41622%0.215SC..EExtended strand (participates in β ladder)trans-102.2123.6176.1-63.1-175146.500108.2K506 K571K506-E530 HydrophobicContact CG-CG 4.44Å; E530-K571 VanDerWaalsContact CD-NZ 3.34Å; E530-K571 VanDerWaalsContact OE1-CE 3.28Å; E530-K571 WeakPolarHBondContact OE1-CE 3.49Å; E530-K571 IonicContact OE1-NZ 2.78Å; E530-K571 PolarHBondContact OE1-NZ 2.91Å; E530-K571 IonicContact OE2-NZ 3.03Å; E530-K571 PolarHBondContact OE2-NZ 2.98Å
531V90.9Very high91.6Very high14 Ų1436.8 Ų36.89%0.08519%0.189CC..  trans-106.5163.9-176.3-65.50000110.4N505 I507 T533 P535 T551 Y560N505-V531 HydrophobicContact CB-CG2 4.11Å; N505-V531 VanDerWaalsContact O-CG2 3.27Å; N505-V531 WeakPolarHBondContact O-CG2 3.45Å; N505-V531 PolarHBondContact O-N 3.01Å; I507-V531 HydrophobicContact CD1-CG1 3.94Å; I507-V531 HydrophobicContact CG1-CG1 4.13Å; V531-T533 WeakPolarHBondContact CG2-O 3.3Å; V531-P535 HydrophobicContact CG2-CB 4.48Å; V531-P535 HydrophobicContact CG2-CG 4.28Å; V531-T551 HydrophobicContact CG1-CG2 4.45Å; V531-Y560 HydrophobicContact CG1-CE2 4.09Å
532G87.8Confident92.2Very high35 Ų3535 Ų3536%0.36119%0.185SC..SBendtrans-70.5-57.3-178.300000112.3N505N505-G532 PolarHBondContact ND2-O 2.85Å
533T93.5Very high92.4Very high32 Ų3230.1 Ų30.120%0.19617%0.174CC..SBendtrans-121.5-169.7176.663.90000111.9N505 V531 C553 E554 D555N505-T533 WeakPolarHBondContact ND2-CA 3.49Å; V531-T533 WeakPolarHBondContact CG2-O 3.3Å; T533-C553 WeakPolarHBondContact OG1-CB 3.38Å; T533-E554 HydrophobicContact CG2-CB 4.34Å; T533-E554 WeakPolarHBondContact OG1-CA 3.4Å; T533-E554 WeakPolarHBondContact OG1-CB 3.37Å; T533-E554 PolarHBondContact OG1-N 2.92Å; T533-D555 WeakPolarHBondContact CB-OD1 3.37Å; T533-D555 HydrophobicContact CG2-CB 3.65Å; T533-D555 PolarHBondContact N-OD1 2.97Å; T533-D555 PolarHBondContact OG1-N 3.2Å; T533-D555 VanDerWaalsContact OG1-N 3.1Å; T533-D555 PolarHBondContact OG1-OD1 2.97Å
534T93.7Very high92.2Very high8 Ų829.4 Ų29.45%0.04917%0.17CC..  trans-55.4127.2177.5-45.30000111.1Y503 L536 C553 E554Y503-T534 HydrophobicContact CD1-CG2 3.65Å; Y503-T534 HydrophobicContact CD2-CG2 4.29Å; Y503-T534 HydrophobicContact CE1-CG2 3.63Å; Y503-T534 HydrophobicContact CE2-CG2 4.31Å; Y503-T534 HydrophobicContact CG-CG2 4.01Å; T534-L536 HydrophobicContact CG2-CD2 4.26Å; T534-L536 PolarHBondContact O-N 3.32Å; T534-C553 WeakPolarHBondContact O-CA 3.31Å; T534-E554 WeakPolarHBondContact CB-OE1 3.48Å; T534-E554 VanDerWaalsContact OG1-CD 3.29Å; T534-E554 PolarHBondContact OG1-OE1 3.14Å
535P95.3Very high91.9Very high0 Ų025.7 Ų25.70%015%0.151CC..EExtended strand (participates in β ladder)trans-76115.4171.129.9-30.2000109.3S486 V487 I507 V531 T551S486-P535 VanDerWaalsContact CB-O 3.29Å; S486-P535 WeakPolarHBondContact CB-O 3.49Å; S486-P535 PolarHBondContact OG-O 3.36Å; V487-P535 HydrophobicContact CG1-CB 4.42Å; V487-P535 WeakPolarHBondContact CG1-O 3.02Å; I507-P535 HydrophobicContact CD1-CB 4.09Å; I507-P535 HydrophobicContact CG1-CB 4.03Å; I507-P535 HydrophobicContact CG1-CG 4.09Å; V531-P535 HydrophobicContact CG2-CB 4.48Å; V531-P535 HydrophobicContact CG2-CG 4.28Å; P535-T551 HydrophobicContact CB-CG2 3.78Å
536L94.7Very high91.6Very high18 Ų1823.3 Ų23.39%0.09414%0.142CC..EExtended strand (participates in β ladder)trans-89.9-46.9-175.3-56.9175000111.5T534 A552 E554 T594 D596 Y653T534-L536 HydrophobicContact CG2-CD2 4.26Å; T534-L536 PolarHBondContact O-N 3.32Å; L536-A552 PolarHBondContact N-O 2.81Å; L536-E554 HydrophobicContact CD1-CG 4.15Å; L536-E554 HydrophobicContact CD2-CG 4.22Å; L536-E554 HydrophobicContact CG-CG 4.38Å; L536-T594 HydrophobicContact CD1-CG2 4.18Å; L536-D596 HydrophobicContact CD1-CB 4.47Å; L536-Y653 HydrophobicContact CD1-CD1 4Å; L536-Y653 HydrophobicContact CD1-CE1 3.65Å; L536-Y653 HydrophobicContact CD2-CD1 3.91Å; L536-Y653 HydrophobicContact CD2-CE1 3.58Å; L536-Y653 HydrophobicContact CG-CE1 4.26Å
537H95.9Very high91.3Very high48 Ų4822.7 Ų22.722%0.22214%0.14CC..EExtended strand (participates in β ladder)trans-134.2146176.2-65.2-81.4000111.4T551 A552 D596 L598 S655H537-T551 WeakPolarHBondContact O-CA 3.28Å; H537-A552 HydrophobicContact CB-CB 4.09Å; H537-A552 PolarHBondContact N-O 2.93Å; H537-A552 PolarHBondContact O-N 2.64Å; H537-D596 PolarHBondContact CD2-O 3.12Å; H537-D596 PolarHBondContact NE2-O 3.25Å; H537-L598 HydrophobicContact CB-CB 4.03Å; H537-S655 WeakPolarHBondContact CE1-CB 3.47Å
538I95.8Very high91.3Very high4 Ų424.4 Ų24.42%0.02115%0.147CC..EExtended strand (participates in β ladder)trans-126.1127.5177.2-67.6175000108.9V487 R489 F499 I507 L549 L550 T551V487-I538 HydrophobicContact CG1-CD1 3.59Å; V487-I538 HydrophobicContact CG1-CG1 3.83Å; V487-I538 HydrophobicContact CG2-CB 4.29Å; V487-I538 HydrophobicContact CG2-CD1 4.48Å; V487-I538 HydrophobicContact CG2-CG1 4.33Å; R489-I538 HydrophobicContact CB-CB 4.33Å; R489-I538 HydrophobicContact CB-CG2 4.21Å; F499-I538 HydrophobicContact CB-CD1 4.5Å; I507-I538 HydrophobicContact CD1-CD1 3.7Å; I507-I538 HydrophobicContact CD1-CG1 4.03Å; I507-I538 HydrophobicContact CG1-CD1 3.93Å; I507-I538 HydrophobicContact CG2-CD1 3.83Å; I538-L549 HydrophobicContact CG2-CD1 3.46Å; I538-L549 VanDerWaalsContact CG2-CD1 3.46Å; I538-L549 HydrophobicContact CG2-CD2 4.31Å; I538-L549 HydrophobicContact CG2-CG 4Å; I538-L550 WeakPolarHBondContact CA-O 3.45Å; I538-T551 HydrophobicContact CG1-CG2 4.5Å
539C95.1Very high91.4Very high5 Ų523.8 Ų23.83%0.03414%0.144CC..EExtended strand (participates in β ladder)trans-128.6136176.7-84.70000111.9L550 L598 F600C539-L550 HydrophobicContact CB-CB 4.29Å; C539-L550 PolarHBondContact N-O 3.16Å; C539-L550 PolarHBondContact O-N 3.08Å; C539-L598 HydrophobicContact CB-CD2 3.97Å; C539-L598 HydrophobicContact CB-CG 4.31Å; C539-L598 PolarHBondContact SG-O 3.45Å; C539-F600 HydrophobicContact CB-CD2 3.97Å; C539-F600 HydrophobicContact CB-CE2 3.95Å
540L94.5Very high91.6Very high13 Ų1323.7 Ų23.77%0.06814%0.143CC..  trans-102.9128.6173.4-67.7163.8000108N491 F499 P545 L549N491-L540 HydrophobicContact CB-CD1 4.07Å; F499-L540 HydrophobicContact CD2-CD1 4.24Å; F499-L540 HydrophobicContact CE2-CD1 3.96Å; F499-L540 HydrophobicContact CE2-CD2 3.82Å; F499-L540 HydrophobicContact CE2-CG 4.42Å; F499-L540 HydrophobicContact CZ-CD2 4.03Å; L540-P545 HydrophobicContact CB-CB 3.85Å; L540-P545 HydrophobicContact CD1-CB 4.41Å; L540-P545 HydrophobicContact CD2-CB 4.4Å; L540-P545 WeakPolarHBondContact CD2-O 3.34Å; L540-P545 HydrophobicContact CG-CB 4.47Å; L540-L549 HydrophobicContact CD2-CD1 3.38Å; L540-L549 HydrophobicContact CG-CD1 4Å
541P93Very high91.9Very high0 Ų019.4 Ų19.40%012%0.123CC..  trans-66126.4179.8-21.833.8000111.7A543 S544 P545 H548 F600 W621P541-A543 VanDerWaalsContact C-N 3.29Å; P541-A543 PolarHBondContact O-N 3.28Å; P541-A543 VanDerWaalsContact O-N 3.13Å; P541-S544 CarbonylContact O-C 3.59Å; P541-S544 VanDerWaalsContact O-C 3.31Å; P541-S544 PolarHBondContact O-N 3.22Å; P541-P545 WeakPolarHBondContact O-CD 3.34Å; P541-P545 VanDerWaalsContact O-N 3.11Å; P541-H548 WeakPolarHBondContact CD-O 3.43Å; P541-H548 HydrophobicContact CG-CB 4.04Å; P541-F600 HydrophobicContact CB-CE1 4.16Å; P541-F600 HydrophobicContact CB-CE2 4.28Å; P541-F600 HydrophobicContact CB-CZ 3.69Å; P541-F600 HydrophobicContact CG-CE2 4.25Å; P541-F600 HydrophobicContact CG-CZ 3.81Å; P541-W621 HydrophobicContact CG-CZ2 3.86Å
542P89.6Confident92.2Very high36 Ų3618.8 Ų18.823%0.23412%0.119CC..THydrogen-bonded Turntrans-54.1-38.7-171.4-30.135.5000115.3H492 R493 S544 F600 D603H492-P542 WeakPolarHBondContact NE2-CA 3.3Å; H492-P542 PolarHBondContact NE2-O 2.96Å; R493-P542 PolarHBondContact NH2-O 2.94Å; P542-S544 VanDerWaalsContact C-N 3.33Å; P542-S544 PolarHBondContact O-N 3.24Å; P542-F600 HydrophobicContact CG-CB 4.13Å; P542-F600 HydrophobicContact CG-CD1 4.34Å; P542-F600 HydrophobicContact CG-CG 4.23Å; P542-D603 WeakPolarHBondContact CB-OD1 3.48Å
543A87.9Confident92.5Very high53 Ų5317.1 Ų17.144%0.43810%0.102SC..THydrogen-bonded Turntrans-72-22.5178.600000113.8R493 P541 D603R493-A543 VanDerWaalsContact NH2-C 3.35Å; R493-A543 PolarHBondContact NH2-O 2.95Å; P541-A543 VanDerWaalsContact C-N 3.29Å; P541-A543 PolarHBondContact O-N 3.28Å; P541-A543 VanDerWaalsContact O-N 3.13Å; A543-D603 HydrophobicContact CB-CB 4.42Å
544S86.9Confident92.4Very high23 Ų2318.3 Ų18.316%0.16111%0.106CC..  trans-152.752.7-168.671.10000114.7P541 P542 D546 T547P541-S544 CarbonylContact O-C 3.59Å; P541-S544 VanDerWaalsContact O-C 3.31Å; P541-S544 PolarHBondContact O-N 3.22Å; P542-S544 VanDerWaalsContact C-N 3.33Å; P542-S544 PolarHBondContact O-N 3.24Å; S544-D546 VanDerWaalsContact C-N 3.31Å; S544-D546 PolarHBondContact O-N 2.55Å; S544-T547 WeakPolarHBondContact CB-OG1 3.37Å; S544-T547 PolarHBondContact O-N 2.83Å; S544-T547 PolarHBondContact O-OG1 3.36Å; S544-T547 PolarHBondContact OG-OG1 3.46Å
545P86.4Confident92.3Very high1 Ų120.3 Ų20.31%0.00612%0.116CC..THydrogen-bonded Turntrans-63.7-35.8-173.326.8-35.4000112.7R493 L540 P541 T547R493-P545 HydrophobicContact CB-CG 4.23Å; R493-P545 HydrophobicContact CG-CG 3.86Å; L540-P545 HydrophobicContact CB-CB 3.85Å; L540-P545 HydrophobicContact CD1-CB 4.41Å; L540-P545 HydrophobicContact CD2-CB 4.4Å; L540-P545 WeakPolarHBondContact CD2-O 3.34Å; L540-P545 HydrophobicContact CG-CB 4.47Å; P541-P545 WeakPolarHBondContact O-CD 3.34Å; P541-P545 VanDerWaalsContact O-N 3.11Å; P545-T547 PolarHBondContact O-N 2.74Å
546D86.3Confident92.2Very high49 Ų4920.3 Ų20.326%0.26212%0.116SC..THydrogen-bonded Turntrans-739.8-173.5-36-71.2000113.3N491 R493 S544N491-D546 PolarHBondContact ND2-OD1 3.43Å; R493-D546 IonicContact NH1-OD2 3.7Å; S544-D546 VanDerWaalsContact C-N 3.31Å; S544-D546 PolarHBondContact O-N 2.55Å
547T86.3Confident92.2Very high27 Ų2719.4 Ų19.417%0.16611%0.111CC..THydrogen-bonded Turntrans-138.4-31.2-167.169.70000115.6S544 P545 N561 T562 Q563S544-T547 WeakPolarHBondContact CB-OG1 3.37Å; S544-T547 PolarHBondContact O-N 2.83Å; S544-T547 PolarHBondContact O-OG1 3.36Å; S544-T547 PolarHBondContact OG-OG1 3.46Å; P545-T547 PolarHBondContact O-N 2.74Å; T547-N561 WeakPolarHBondContact O-CA 3.25Å; T547-N561 PolarHBondContact O-OD1 2.84Å; T547-T562 PolarHBondContact N-OG1 2.71Å; T547-T562 PolarHBondContact O-N 3.14Å; T547-T562 PolarHBondContact O-OG1 2.81Å; T547-Q563 HydrophobicContact CG2-CG 3.88Å
548H90.8Very high92.2Very high42 Ų4217.6 Ų17.619%0.19410%0.103CC..EExtended strand (participates in β ladder)trans-138.2143.9-175-67.476.7000110.3P541 Y560 T562 W621P541-H548 WeakPolarHBondContact CD-O 3.43Å; P541-H548 HydrophobicContact CG-CB 4.04Å; H548-Y560 CarbonylContact C-O 3.5Å; H548-Y560 WeakPolarHBondContact CA-O 3.49Å; H548-T562 PolarHBondContact N-OG1 3.25Å; H548-W621 HydrophobicContact CB-CZ2 4.13Å; H548-W621 AromaticContact CD2-CZ2 3.94Å
549L94.3Very high92.1Very high0 Ų018.1 Ų18.10%011%0.107CC..EExtended strand (participates in β ladder)trans-130.3117.4177.4-167.376.8000109.7F499 I507 L529 I538 L540 C559 Y560 T562F499-L549 HydrophobicContact CD1-CD1 4Å; F499-L549 HydrophobicContact CD1-CD2 4.02Å; F499-L549 HydrophobicContact CE1-CD1 3.87Å; F499-L549 HydrophobicContact CE1-CD2 4.05Å; F499-L549 HydrophobicContact CE2-CD1 4.42Å; F499-L549 HydrophobicContact CG-CD1 4.33Å; F499-L549 HydrophobicContact CZ-CD1 4.08Å; I507-L549 HydrophobicContact CD1-CD2 4.12Å; I507-L549 HydrophobicContact CG2-CD2 4.12Å; L529-L549 HydrophobicContact CD1-CD2 3.81Å; I538-L549 HydrophobicContact CG2-CD1 3.46Å; I538-L549 VanDerWaalsContact CG2-CD1 3.46Å; I538-L549 HydrophobicContact CG2-CD2 4.31Å; I538-L549 HydrophobicContact CG2-CG 4Å; L540-L549 HydrophobicContact CD2-CD1 3.38Å; L540-L549 HydrophobicContact CG-CD1 4Å; L549-C559 CarbonylContact O-C 3.53Å; L549-C559 WeakPolarHBondContact O-CA 3.28Å; L549-Y560 PolarHBondContact N-O 3.14Å; L549-Y560 PolarHBondContact O-N 3.1Å; L549-T562 HydrophobicContact CB-CG2 3.73Å; L549-T562 HydrophobicContact CD2-CG2 4.4Å
550L96.1Very high91.9Very high0 Ų018 Ų180%011%0.106CC..EExtended strand (participates in β ladder)trans-85.5129.2166.7-67.5-175.7000109.3I538 C539 L557 F558 C559 I578 L598 F600 V606 W619 W621I538-L550 WeakPolarHBondContact CA-O 3.45Å; C539-L550 HydrophobicContact CB-CB 4.29Å; C539-L550 PolarHBondContact N-O 3.16Å; C539-L550 PolarHBondContact O-N 3.08Å; L550-L557 HydrophobicContact CB-CD1 4.48Å; L550-F558 WeakPolarHBondContact CA-O 3.42Å; L550-C559 HydrophobicContact CD2-CB 3.82Å; L550-I578 HydrophobicContact CD2-CD1 3.76Å; L550-L598 HydrophobicContact CB-CD2 3.98Å; L550-F600 HydrophobicContact CD1-CE2 3.81Å; L550-F600 HydrophobicContact CD1-CZ 3.73Å; L550-V606 HydrophobicContact CD1-CG2 4.47Å; L550-W619 HydrophobicContact CD1-CH2 3.89Å; L550-W619 HydrophobicContact CD1-CZ2 4.34Å; L550-W621 HydrophobicContact CD1-CE3 4.42Å; L550-W621 HydrophobicContact CD2-CE3 4.41Å; L550-W621 HydrophobicContact CD2-CH2 4.18Å; L550-W621 HydrophobicContact CD2-CZ3 3.8Å; L550-W621 HydrophobicContact CG-CZ3 4.49Å
551T96.4Very high91.6Very high0 Ų020.1 Ų20.10%012%0.117CC..EExtended strand (participates in β ladder)trans-125.1120.3177.2-53.10000109.4I507 V531 P535 H537 I538 C553 L557 F558I507-T551 HydrophobicContact CD1-CG2 3.51Å; I507-T551 VanDerWaalsContact CD1-OG1 3.27Å; I507-T551 WeakPolarHBondContact CD1-OG1 3.14Å; V531-T551 HydrophobicContact CG1-CG2 4.45Å; P535-T551 HydrophobicContact CB-CG2 3.78Å; H537-T551 WeakPolarHBondContact O-CA 3.28Å; I538-T551 HydrophobicContact CG1-CG2 4.5Å; T551-C553 VanDerWaalsContact CG2-SG 3.53Å; T551-L557 WeakPolarHBondContact O-CD1 3.45Å; T551-F558 PolarHBondContact N-O 2.56Å; T551-F558 PolarHBondContact O-N 2.92Å
552A95.9Very high91.3Very high0 Ų020.3 Ų20.30%012%0.118CC..EExtended strand (participates in β ladder)trans-90.6132.4168.300000109.7L536 H537 L557 I595 L598L536-A552 PolarHBondContact N-O 2.81Å; H537-A552 HydrophobicContact CB-CB 4.09Å; H537-A552 PolarHBondContact N-O 2.93Å; H537-A552 PolarHBondContact O-N 2.64Å; A552-L557 HydrophobicContact CB-CD1 4.42Å; A552-I595 HydrophobicContact CB-CB 3.92Å; A552-I595 HydrophobicContact CB-CG2 3.7Å; A552-I595 VanDerWaalsContact CB-O 3.31Å; A552-I595 WeakPolarHBondContact CB-O 3.34Å; A552-L598 HydrophobicContact CB-CB 4.06Å; A552-L598 HydrophobicContact CB-CD2 4.06Å
553C94.6Very high91Very high0 Ų023.5 Ų23.50%013%0.13CC..EExtended strand (participates in β ladder)trans-132174.9-175.4-63.10000111.4T533 T534 T551 D555 G556 F558 I595T533-C553 WeakPolarHBondContact OG1-CB 3.38Å; T534-C553 WeakPolarHBondContact O-CA 3.31Å; T551-C553 VanDerWaalsContact CG2-SG 3.53Å; C553-D555 WeakPolarHBondContact CB-OD1 3.47Å; C553-D555 PolarHBondContact O-N 3.13Å; C553-G556 PolarHBondContact N-O 3.22Å; C553-F558 HydrophobicContact CB-CD2 4.48Å; C553-F558 HydrophobicContact CB-CE2 4.32Å; C553-I595 PolarHBondContact O-N 3.25Å
554E91.4Very high90.6Very high57 Ų5725.7 Ų25.727%0.26613%0.134SC..THydrogen-bonded Turntrans-66.6-25.4172.3-54.3163.9178.500112.4T533 T534 L536 T594T533-E554 HydrophobicContact CG2-CB 4.34Å; T533-E554 WeakPolarHBondContact OG1-CA 3.4Å; T533-E554 WeakPolarHBondContact OG1-CB 3.37Å; T533-E554 PolarHBondContact OG1-N 2.92Å; T534-E554 WeakPolarHBondContact CB-OE1 3.48Å; T534-E554 VanDerWaalsContact OG1-CD 3.29Å; T534-E554 PolarHBondContact OG1-OE1 3.14Å; L536-E554 HydrophobicContact CD1-CG 4.15Å; L536-E554 HydrophobicContact CD2-CG 4.22Å; L536-E554 HydrophobicContact CG-CG 4.38Å; E554-T594 VanDerWaalsContact O-CA 3.28Å; E554-T594 WeakPolarHBondContact O-CA 3.4Å; E554-T594 PolarHBondContact O-N 3.22Å; E554-T594 PolarHBondContact O-OG1 3.19Å
555D91.2Very high89.5Confident50 Ų5026.9 Ų26.927%0.26715%0.15SC..THydrogen-bonded Turntrans-100.5-3.718066-43.3000115.9T533 C553 F558T533-D555 WeakPolarHBondContact CB-OD1 3.37Å; T533-D555 HydrophobicContact CG2-CB 3.65Å; T533-D555 PolarHBondContact N-OD1 2.97Å; T533-D555 PolarHBondContact OG1-N 3.2Å; T533-D555 VanDerWaalsContact OG1-N 3.1Å; T533-D555 PolarHBondContact OG1-OD1 2.97Å; C553-D555 WeakPolarHBondContact CB-OD1 3.47Å; C553-D555 PolarHBondContact O-N 3.13Å; D555-F558 WeakPolarHBondContact OD2-CZ 3.5Å
556G93.3Very high87.6Confident0 Ų030.8 Ų30.80%019%0.19CC..EExtended strand (participates in β ladder)trans153-165.7177.200000115.3C553 H593C553-G556 PolarHBondContact N-O 3.22Å; G556-H593 WeakPolarHBondContact CA-O 3.22Å; G556-H593 PolarHBondContact N-O 2.82Å; G556-H593 VanDerWaalsContact N-O 3.14Å
557L95.4Very high85.6Confident0 Ų036.2 Ų36.20%022%0.219CC..EExtended strand (participates in β ladder)trans-113.8125.5172.6175.763.6000109.4L550 T551 A552 E577 I578 F580 I595 L598 W619L550-L557 HydrophobicContact CB-CD1 4.48Å; T551-L557 WeakPolarHBondContact O-CD1 3.45Å; A552-L557 HydrophobicContact CB-CD1 4.42Å; L557-E577 WeakPolarHBondContact O-CA 3.38Å; L557-I578 HydrophobicContact CB-CB 4.35Å; L557-I578 HydrophobicContact CD2-CB 3.91Å; L557-I578 HydrophobicContact CD2-CD1 4.16Å; L557-I578 HydrophobicContact CD2-CG2 4Å; L557-I578 HydrophobicContact CG-CB 4.05Å; L557-I578 HydrophobicContact CG-CD1 4.33Å; L557-I578 PolarHBondContact O-N 3Å; L557-F580 HydrophobicContact CB-CE2 4.19Å; L557-F580 HydrophobicContact CD2-CE2 3.87Å; L557-F580 HydrophobicContact CD2-CZ 3.72Å; L557-I595 HydrophobicContact CB-CG1 4.22Å; L557-L598 HydrophobicContact CD1-CD1 4.09Å; L557-L598 HydrophobicContact CD1-CD2 3.83Å; L557-L598 HydrophobicContact CD2-CD1 4.45Å; L557-W619 HydrophobicContact CD2-CH2 4.04Å; L557-W619 HydrophobicContact CD2-CZ2 3.51Å
558F94.8Very high83.5Confident10 Ų1039.8 Ų39.84%0.04425%0.245CC..EExtended strand (participates in β ladder)trans-125.5140.4-176.4-58.4-80.5000111.9L550 T551 C553 D555 Y560 K575 T576 E577L550-F558 WeakPolarHBondContact CA-O 3.42Å; T551-F558 PolarHBondContact N-O 2.56Å; T551-F558 PolarHBondContact O-N 2.92Å; C553-F558 HydrophobicContact CB-CD2 4.48Å; C553-F558 HydrophobicContact CB-CE2 4.32Å; D555-F558 WeakPolarHBondContact OD2-CZ 3.5Å; F558-Y560 HydrophobicContact CB-CD2 4.33Å; F558-Y560 HydrophobicContact CB-CE2 3.62Å; F558-K575 HydrophobicContact CD1-CD 3.91Å; F558-K575 HydrophobicContact CE1-CD 4.41Å; F558-K575 HydrophobicContact CG-CD 4.41Å; F558-T576 WeakPolarHBondContact CA-O 3.34Å; F558-E577 HydrophobicContact CD1-CB 3.94Å; F558-E577 HydrophobicContact CD1-CG 4.21Å; F558-E577 HydrophobicContact CE1-CB 3.86Å; F558-E577 HydrophobicContact CE1-CG 3.85Å
559C94Very high81.5Confident15 Ų1542.7 Ų42.710%0.10127%0.266CS..EExtended strand (participates in β ladder)trans-102.3128.9168.1177.90000110.4L549 L550 K575 T576L549-C559 CarbonylContact O-C 3.53Å; L549-C559 WeakPolarHBondContact O-CA 3.28Å; L550-C559 HydrophobicContact CD2-CB 3.82Å; C559-K575 CarbonylContact O-C 3.57Å; C559-K575 WeakPolarHBondContact O-CA 3.43Å; C559-T576 PolarHBondContact N-O 2.71Å; C559-T576 PolarHBondContact O-N 3.38Å
560Y91.8Very high79.6Confident2 Ų247.3 Ų47.31%0.00830%0.295CS..EExtended strand (participates in β ladder)trans-115151.4172.8-64.2-97.9000111.2L529 V531 H548 L549 F558 K575L529-Y560 HydrophobicContact CB-CD1 4.38Å; L529-Y560 HydrophobicContact CD1-CD1 4.19Å; L529-Y560 HydrophobicContact CD1-CG 3.95Å; L529-Y560 HydrophobicContact CD2-CD1 4.17Å; L529-Y560 HydrophobicContact CG-CD1 4.48Å; V531-Y560 HydrophobicContact CG1-CE2 4.09Å; H548-Y560 CarbonylContact C-O 3.5Å; H548-Y560 WeakPolarHBondContact CA-O 3.49Å; L549-Y560 PolarHBondContact N-O 3.14Å; L549-Y560 PolarHBondContact O-N 3.1Å; F558-Y560 HydrophobicContact CB-CD2 4.33Å; F558-Y560 HydrophobicContact CB-CE2 3.62Å; Y560-K575 HydrophobicContact CD1-CB 3.74Å; Y560-K575 HydrophobicContact CE1-CB 3.5Å; Y560-K575 HydrophobicContact CE1-CD 3.93Å; Y560-K575 HydrophobicContact CE1-CG 4.27Å; Y560-K575 HydrophobicContact CE2-CB 4.43Å; Y560-K575 HydrophobicContact CG-CB 4.29Å; Y560-K575 VanDerWaalsContact OH-CD 3.28Å; Y560-K575 WeakPolarHBondContact OH-CD 3.48Å
561N87.9Confident77.8Confident57 Ų5752.9 Ų52.931%0.30532%0.319SS..EExtended strand (participates in β ladder)trans-92.5120.1170.8-179.9-35.9000111.3T547 Q563 R572T547-N561 WeakPolarHBondContact O-CA 3.25Å; T547-N561 PolarHBondContact O-OD1 2.84Å; N561-Q563 WeakPolarHBondContact OD1-CB 3.43Å; N561-Q563 WeakPolarHBondContact OD1-CG 3.46Å; N561-Q563 PolarHBondContact OD1-N 2.78Å; N561-R572 PolarHBondContact O-NH1 3.12Å
562T87Confident76.3Confident5 Ų556.2 Ų56.23%0.03133%0.332CS..  trans-100.2-1.5-175.544.50000115.2F499 L527 L529 T547 H548 L549 L564F499-T562 HydrophobicContact CE1-CG2 3.91Å; F499-T562 HydrophobicContact CZ-CG2 4.14Å; L527-T562 HydrophobicContact CD2-CG2 4.22Å; L529-T562 HydrophobicContact CD1-CG2 4.47Å; T547-T562 PolarHBondContact N-OG1 2.71Å; T547-T562 PolarHBondContact O-N 3.14Å; T547-T562 PolarHBondContact O-OG1 2.81Å; H548-T562 PolarHBondContact N-OG1 3.25Å; L549-T562 HydrophobicContact CB-CG2 3.73Å; L549-T562 HydrophobicContact CD2-CG2 4.4Å; T562-L564 PolarHBondContact O-N 2.78Å; T562-L564 VanDerWaalsContact O-N 3.09Å
563Q83.3Confident74.5Confident102 Ų10260.9 Ų60.948%0.47736%0.364SS..  trans-58.4113.6-176-66.5-176.2-41.400111.9T547 N561 G565 R572T547-Q563 HydrophobicContact CG2-CG 3.88Å; N561-Q563 WeakPolarHBondContact OD1-CB 3.43Å; N561-Q563 WeakPolarHBondContact OD1-CG 3.46Å; N561-Q563 PolarHBondContact OD1-N 2.78Å; Q563-G565 PolarHBondContact O-N 2.91Å; Q563-G565 VanDerWaalsContact O-N 3.16Å; Q563-R572 PolarHBondContact O-NH1 3.35Å; Q563-R572 PolarHBondContact O-NH2 2.7Å
564L78.1Confident73.1Confident99 Ų9967.3 Ų67.352%0.51840%0.398SS..  trans-63.2117.9176.6-66.8173.8000109.9F497 M509 L526 T562F497-L564 HydrophobicContact CE2-CD1 4.11Å; F497-L564 HydrophobicContact CZ-CD1 4.43Å; M509-L564 HydrophobicContact CE-CD1 3.94Å; M509-L564 HydrophobicContact CE-CD2 3.65Å; M509-L564 HydrophobicContact CE-CG 3.88Å; L526-L564 HydrophobicContact CB-CD2 4.27Å; L526-L564 HydrophobicContact CD1-CD1 4.31Å; T562-L564 PolarHBondContact O-N 2.78Å; T562-L564 VanDerWaalsContact O-N 3.09Å
565G63.5Low72.6Confident49 Ų4968.7 Ų68.751%0.50540%0.404SS..  trans-108141.1-176.800000110.9Q563 N567Q563-G565 PolarHBondContact O-N 2.91Å; Q563-G565 VanDerWaalsContact O-N 3.16Å; G565-N567 PolarHBondContact O-N 3.37Å; G565-N567 VanDerWaalsContact O-N 3.08Å
566G48Very low72.6Confident83 Ų8368.7 Ų68.786%0.85641%0.406SS*.SBendtrans-69.3-4.3-167.900000117.2
567N42.4Very low72.6Confident162 Ų16271.2 Ų71.287%0.86642%0.417SS*.SBendtrans-150.8142.4178.4-92.4-49.3000113.1G565G565-N567 PolarHBondContact O-N 3.37Å; G565-N567 VanDerWaalsContact O-N 3.08Å
568S44.1Very low72.6Confident102 Ų10271.3 Ų71.371%0.71342%0.418SS*.SBendtrans70.4138.5169.6-152.80000119.4
569T46.8Very low72.5Confident104 Ų10472.3 Ų72.364%0.63843%0.425SS*.  trans45.9109.5172.5550000118.6K571T569-K571 PolarHBondContact O-N 2.92Å
570T55.8Low72.4Confident97 Ų9771.8 Ų71.860%0.59542%0.421SS*.SBendtrans-70.4-8169.748.40000114.8T528T528-T570 PolarHBondContact N-O 2.58Å
571K57Low72.2Confident117 Ų11774.2 Ų74.251%0.50944%0.436SS..EExtended strand (participates in β ladder)trans-101.9137.1169.7-69.4-167.5177.6-162.30110.3T528 E530 T569T528-K571 WeakPolarHBondContact O-CA 3.22Å; E530-K571 VanDerWaalsContact CD-NZ 3.34Å; E530-K571 VanDerWaalsContact OE1-CE 3.28Å; E530-K571 WeakPolarHBondContact OE1-CE 3.49Å; E530-K571 IonicContact OE1-NZ 2.78Å; E530-K571 PolarHBondContact OE1-NZ 2.91Å; E530-K571 IonicContact OE2-NZ 3.03Å; E530-K571 PolarHBondContact OE2-NZ 2.98Å; T569-K571 PolarHBondContact O-N 2.92Å
572R65.4Low72Confident70 Ų7072.6 Ų72.626%0.26443%0.428SS..EExtended strand (participates in β ladder)trans-133.6140.8173-66.8-175.9177.6177.11.1112.5L527 T528 L529 N561 Q563L527-R572 HydrophobicContact CD1-CG 4.14Å; T528-R572 PolarHBondContact O-N 2.84Å; L529-R572 HydrophobicContact CD2-CB 4.02Å; N561-R572 PolarHBondContact O-NH1 3.12Å; Q563-R572 PolarHBondContact O-NH1 3.35Å; Q563-R572 PolarHBondContact O-NH2 2.7Å
573S58.8Low71.9Confident98 Ų9874.4 Ų74.469%0.68543%0.434SS*.  trans-116-0.6-179.752.20000114.1K575S573-K575 VanDerWaalsContact C-N 3.35Å; S573-K575 PolarHBondContact O-N 3.33Å
574N64.6Low71.7Confident134 Ų13477.7 Ų77.772%0.71745%0.447SS*.  trans-67.190.4177.9-73.65.7000110.5
575K82.2Confident71.6Confident87 Ų8779.1 Ų79.138%0.37845%0.452SS..EExtended strand (participates in β ladder)trans-123.7152.2177.775.3176.2-172.61660112F558 C559 Y560 S573F558-K575 HydrophobicContact CD1-CD 3.91Å; F558-K575 HydrophobicContact CE1-CD 4.41Å; F558-K575 HydrophobicContact CG-CD 4.41Å; C559-K575 CarbonylContact O-C 3.57Å; C559-K575 WeakPolarHBondContact O-CA 3.43Å; Y560-K575 HydrophobicContact CD1-CB 3.74Å; Y560-K575 HydrophobicContact CE1-CB 3.5Å; Y560-K575 HydrophobicContact CE1-CD 3.93Å; Y560-K575 HydrophobicContact CE1-CG 4.27Å; Y560-K575 HydrophobicContact CE2-CB 4.43Å; Y560-K575 HydrophobicContact CG-CB 4.29Å; Y560-K575 VanDerWaalsContact OH-CD 3.28Å; Y560-K575 WeakPolarHBondContact OH-CD 3.48Å; S573-K575 VanDerWaalsContact C-N 3.35Å; S573-K575 PolarHBondContact O-N 3.33Å
576T89.9Confident71.1Confident50 Ų5085.1 Ų85.131%0.30747%0.468SS..EExtended strand (participates in β ladder)trans-126.5127171.3-55.60000108.5F558 C559 V636F558-T576 WeakPolarHBondContact CA-O 3.34Å; C559-T576 PolarHBondContact N-O 2.71Å; C559-T576 PolarHBondContact O-N 3.38Å; T576-V636 HydrophobicContact CG2-CG1 4.21Å; T576-V636 HydrophobicContact CG2-CG2 4.07Å
577E93.4Very high71.9Confident53 Ų5384.8 Ų84.825%0.24845%0.446CS..EExtended strand (participates in β ladder)trans-78.9139.4174.2-173.8-165.6167.800110.6L557 F558 T579 S635 V636L557-E577 WeakPolarHBondContact O-CA 3.38Å; F558-E577 HydrophobicContact CD1-CB 3.94Å; F558-E577 HydrophobicContact CD1-CG 4.21Å; F558-E577 HydrophobicContact CE1-CB 3.86Å; F558-E577 HydrophobicContact CE1-CG 3.85Å; E577-T579 HydrophobicContact CG-CG2 4.2Å; E577-T579 WeakPolarHBondContact OE1-CG2 3.01Å; E577-S635 WeakPolarHBondContact O-CA 3.47Å; E577-S635 WeakPolarHBondContact O-CB 3.47Å; E577-V636 PolarHBondContact O-N 3.23Å
578I95.1Very high72.4Confident2 Ų286.2 Ų86.21%0.0144%0.444CS..EExtended strand (participates in β ladder)trans-107.7115.4173.2-57.5179.1000108L550 L557 F580 W619 W621 T624 V636 A638L550-I578 HydrophobicContact CD2-CD1 3.76Å; L557-I578 HydrophobicContact CB-CB 4.35Å; L557-I578 HydrophobicContact CD2-CB 3.91Å; L557-I578 HydrophobicContact CD2-CD1 4.16Å; L557-I578 HydrophobicContact CD2-CG2 4Å; L557-I578 HydrophobicContact CG-CB 4.05Å; L557-I578 HydrophobicContact CG-CD1 4.33Å; L557-I578 PolarHBondContact O-N 3Å; I578-F580 HydrophobicContact CG2-CZ 4.49Å; I578-W619 HydrophobicContact CD1-CH2 3.64Å; I578-W619 HydrophobicContact CD1-CZ3 4.02Å; I578-W619 HydrophobicContact CG2-CH2 4.38Å; I578-W619 HydrophobicContact CG2-CZ3 4.42Å; I578-W621 HydrophobicContact CD1-CZ3 4.29Å; I578-T624 HydrophobicContact CD1-CG2 4.47Å; I578-T624 HydrophobicContact CG1-CG2 4.49Å; I578-T624 HydrophobicContact CG2-CG2 4.06Å; I578-V636 HydrophobicContact CG1-CG2 4.02Å; I578-A638 HydrophobicContact CG2-CB 3.96Å
579T93.6Very high73.1Confident30 Ų3090.2 Ų90.218%0.18445%0.452CS..EExtended strand (participates in β ladder)trans-101.9144.3-175.3580000112E577 Y583 V636 C637 A638E577-T579 HydrophobicContact CG-CG2 4.2Å; E577-T579 WeakPolarHBondContact OE1-CG2 3.01Å; T579-Y583 HydrophobicContact CG2-CD2 4.1Å; T579-Y583 HydrophobicContact CG2-CE2 4.18Å; T579-V636 PolarHBondContact N-O 2.94Å; T579-V636 PolarHBondContact OG1-O 3.02Å; T579-C637 CarbonylContact O-C 3.41Å; T579-C637 WeakPolarHBondContact O-CA 3.47Å; T579-A638 PolarHBondContact O-N 3.06Å
580F91.8Very high73.9Confident5 Ų588.5 Ų88.52%0.02244%0.437CS..  trans-106.5155.2-178.3-68.2-82.6000112.3L557 I578 I582 Y583 I595 S608 Y617 W619 A638L557-F580 HydrophobicContact CB-CE2 4.19Å; L557-F580 HydrophobicContact CD2-CE2 3.87Å; L557-F580 HydrophobicContact CD2-CZ 3.72Å; I578-F580 HydrophobicContact CG2-CZ 4.49Å; F580-I582 HydrophobicContact CB-CG2 4.16Å; F580-I582 PolarHBondContact O-N 3.12Å; F580-Y583 HydrophobicContact CB-CD1 4.21Å; F580-Y583 HydrophobicContact CB-CE1 4.06Å; F580-Y583 HydrophobicContact CD2-CE1 4.13Å; F580-Y583 AromaticContact CD2-CZ 3.91Å; F580-Y583 WeakPolarHBondContact O-CB 3.17Å; F580-Y583 PolarHBondContact O-N 2.92Å; F580-Y583 VanDerWaalsContact O-N 3.13Å; F580-I595 HydrophobicContact CD2-CD1 4.25Å; F580-I595 HydrophobicContact CE2-CD1 4.14Å; F580-I595 HydrophobicContact CE2-CG1 4.48Å; F580-S608 WeakPolarHBondContact CE1-OG 3.48Å; F580-S608 VanDerWaalsContact CZ-OG 3.24Å; F580-S608 WeakPolarHBondContact CZ-OG 3.42Å; F580-Y617 HydrophobicContact CB-CD2 4.16Å; F580-Y617 HydrophobicContact CB-CE2 3.92Å; F580-Y617 AromaticContact CD1-CD2 3.51Å; F580-Y617 HydrophobicContact CD1-CD2 3.51Å; F580-Y617 HydrophobicContact CD1-CE2 4.12Å; F580-Y617 HydrophobicContact CD1-CG 4.06Å; F580-Y617 HydrophobicContact CE1-CD2 4.22Å; F580-Y617 HydrophobicContact CG-CD2 4.03Å; F580-Y617 HydrophobicContact CG-CE2 4.31Å; F580-W619 AromaticContact CE1-CD1 3.77Å; F580-W619 HydrophobicContact CE1-CG 4.33Å; F580-W619 AromaticContact CE1-NE1 3.72Å; F580-W619 AromaticContact CZ-NE1 3.79Å; F580-A638 HydrophobicContact CD1-CB 3.71Å; F580-A638 HydrophobicContact CE1-CB 3.55Å; F580-A638 HydrophobicContact CZ-CB 4.27Å
581P86.5Confident74.8Confident52 Ų5288 Ų8834%0.33843%0.43SS..G310 helixtrans-56.4-35.8-179.5-27.136.2000114.2Y583 K584 V640P581-Y583 PolarHBondContact O-N 3.24Å; P581-K584 PolarHBondContact O-N 3.38Å; P581-V640 HydrophobicContact CG-CG2 3.87Å
582I84.9Confident76Confident24 Ų2483.6 Ų83.612%0.12341%0.411CS..G310 helixtrans-60-25.5178.8-168.372.2000113.7F580 K584 M585 Y592 H613 Y617F580-I582 HydrophobicContact CB-CG2 4.16Å; F580-I582 PolarHBondContact O-N 3.12Å; I582-K584 PolarHBondContact O-N 3.47Å; I582-M585 HydrophobicContact CD1-CB 4.34Å; I582-M585 HydrophobicContact CD1-CG 3.76Å; I582-M585 PolarHBondContact O-N 3.1Å; I582-Y592 HydrophobicContact CD1-CE2 4.35Å; I582-Y592 HydrophobicContact CG1-CD1 3.97Å; I582-Y592 HydrophobicContact CG1-CD2 3.69Å; I582-Y592 HydrophobicContact CG1-CE1 4.26Å; I582-Y592 HydrophobicContact CG1-CE2 3.98Å; I582-Y592 HydrophobicContact CG1-CG 3.67Å; I582-Y592 HydrophobicContact CG2-CG 4.38Å; I582-H613 VanDerWaalsContact CG1-CD2 3.46Å; I582-H613 WeakPolarHBondContact CG1-CD2 3.42Å; I582-Y617 HydrophobicContact CB-CE2 4.35Å; I582-Y617 HydrophobicContact CG2-CE2 3.99Å
583Y84.1Confident77Confident42 Ų4283.5 Ų83.517%0.16541%0.413CS..G310 helixtrans-62.4-5.4177.9-63.63.5000113.4T579 F580 P581 Y592 H593T579-Y583 HydrophobicContact CG2-CD2 4.1Å; T579-Y583 HydrophobicContact CG2-CE2 4.18Å; F580-Y583 HydrophobicContact CB-CD1 4.21Å; F580-Y583 HydrophobicContact CB-CE1 4.06Å; F580-Y583 HydrophobicContact CD2-CE1 4.13Å; F580-Y583 AromaticContact CD2-CZ 3.91Å; F580-Y583 WeakPolarHBondContact O-CB 3.17Å; F580-Y583 PolarHBondContact O-N 2.92Å; F580-Y583 VanDerWaalsContact O-N 3.13Å; P581-Y583 PolarHBondContact O-N 3.24Å; Y583-Y592 WeakPolarHBondContact CE1-O 3.43Å; Y583-H593 AromaticContact CD2-CE1 3.57Å; Y583-H593 AromaticContact CD2-ND1 3.91Å; Y583-H593 AromaticContact CE2-CE1 3.76Å; Y583-H593 AromaticContact CE2-ND1 3.6Å; Y583-H593 AromaticContact CG-CE1 3.97Å; Y583-H593 AromaticContact CZ-ND1 3.87Å
584K79.4Confident78.6Confident172 Ų17279.5 Ų79.575%0.74838%0.384SS*.G310 helixtrans-99-2.2176.3-60.1178.2-177.7175.20113.8P581 I582P581-K584 PolarHBondContact O-N 3.38Å; I582-K584 PolarHBondContact O-N 3.47Å
585M76.8Confident80Confident128 Ų12873.3 Ų73.363%0.63135%0.351SS*.SBendtrans-84121.6174.9-63.4-55.6-171.400110I582 D587 Y592I582-M585 HydrophobicContact CD1-CB 4.34Å; I582-M585 HydrophobicContact CD1-CG 3.76Å; I582-M585 PolarHBondContact O-N 3.1Å; M585-D587 PolarHBondContact O-N 3.37Å; M585-Y592 HydrophobicContact CB-CE2 4.38Å
586E53.1Low80.5Confident176 Ų17669.2 Ų69.282%0.82233%0.333SS*.  trans-80.857.6178.2-64.7-167.4175.600112.8
587D63.7Low80.7Confident76 Ų7666.8 Ų66.841%0.40632%0.319SS..  trans-83.7121161.5-160.4-48.8000109.6M585 Q589 Y592M585-D587 PolarHBondContact O-N 3.37Å; D587-Q589 VanDerWaalsContact C-N 3.29Å; D587-Q589 PolarHBondContact O-N 3.19Å; D587-Q589 WeakPolarHBondContact OD1-CB 3.34Å; D587-Q589 PolarHBondContact OD1-N 2.73Å; D587-Y592 HydrophobicContact CB-CE2 4.38Å
588K52.9Low80.8Confident191 Ų19164.5 Ų64.583%0.8331%0.308SS*.SBendtrans-84.6-0.5-177.3-66.6177.2-178.5171.80113.4
589Q58.7Low80.9Confident186 Ų18664.8 Ų64.887%0.86931%0.31SS*.SBendtrans-110.6-24.6-179.7-55.2-167.719.200113.2D587D587-Q589 VanDerWaalsContact C-N 3.29Å; D587-Q589 PolarHBondContact O-N 3.19Å; D587-Q589 WeakPolarHBondContact OD1-CB 3.34Å; D587-Q589 PolarHBondContact OD1-N 2.73Å
590Q65.2Low81Confident69 Ų6964 Ų6432%0.32230%0.304SS..  trans-109.1120.8-174.6-65.4-171.2-23.600112.8Y592Q590-Y592 HydrophobicContact CB-CD1 4.45Å; Q590-Y592 HydrophobicContact CB-CE1 3.74Å; Q590-Y592 HydrophobicContact CB-CE2 4.32Å; Q590-Y592 PolarHBondContact O-N 3.37Å; Q590-Y592 VanDerWaalsContact OE1-CE1 3.29Å; Q590-Y592 PolarHBondContact OE1-OH 2.59Å
591N73.8Confident81Confident85 Ų8563.8 Ų63.846%0.45530%0.304SS..  trans-89103.6171.8179.922.1000110.8H593 T594 T612N591-H593 VanDerWaalsContact C-N 3.34Å; N591-H593 WeakPolarHBondContact OD1-CB 3.42Å; N591-H593 PolarHBondContact OD1-N 3.47Å; N591-T594 PolarHBondContact ND2-OG1 2.91Å; N591-T612 PolarHBondContact O-OG1 3.08Å
592Y82.1Confident81.2Confident26 Ų2663 Ų6310%0.10230%0.298CS..THydrogen-bonded Turntrans-82.2-5.4177.2-52.3-62.3000114.5I582 Y583 M585 D587 Q590 T594I582-Y592 HydrophobicContact CD1-CE2 4.35Å; I582-Y592 HydrophobicContact CG1-CD1 3.97Å; I582-Y592 HydrophobicContact CG1-CD2 3.69Å; I582-Y592 HydrophobicContact CG1-CE1 4.26Å; I582-Y592 HydrophobicContact CG1-CE2 3.98Å; I582-Y592 HydrophobicContact CG1-CG 3.67Å; I582-Y592 HydrophobicContact CG2-CG 4.38Å; Y583-Y592 WeakPolarHBondContact CE1-O 3.43Å; M585-Y592 HydrophobicContact CB-CE2 4.38Å; D587-Y592 HydrophobicContact CB-CE2 4.38Å; Q590-Y592 HydrophobicContact CB-CD1 4.45Å; Q590-Y592 HydrophobicContact CB-CE1 3.74Å; Q590-Y592 HydrophobicContact CB-CE2 4.32Å; Q590-Y592 PolarHBondContact O-N 3.37Å; Q590-Y592 VanDerWaalsContact OE1-CE1 3.29Å; Q590-Y592 PolarHBondContact OE1-OH 2.59Å; Y592-T594 PolarHBondContact O-N 2.56Å
593H86.5Confident81.3Confident68 Ų6866.6 Ų66.632%0.31532%0.317SS..THydrogen-bonded Turntrans-74-22.8-176.9-72.1-103.5000113.8G556 Y583 N591 I595G556-H593 WeakPolarHBondContact CA-O 3.22Å; G556-H593 PolarHBondContact N-O 2.82Å; G556-H593 VanDerWaalsContact N-O 3.14Å; Y583-H593 AromaticContact CD2-CE1 3.57Å; Y583-H593 AromaticContact CD2-ND1 3.91Å; Y583-H593 AromaticContact CE2-CE1 3.76Å; Y583-H593 AromaticContact CE2-ND1 3.6Å; Y583-H593 AromaticContact CG-CE1 3.97Å; Y583-H593 AromaticContact CZ-ND1 3.87Å; N591-H593 VanDerWaalsContact C-N 3.34Å; N591-H593 WeakPolarHBondContact OD1-CB 3.42Å; N591-H593 PolarHBondContact OD1-N 3.47Å; H593-I595 PolarHBondContact O-N 2.97Å; H593-I595 VanDerWaalsContact O-N 3.11Å
594T91.6Very high81.6Confident13 Ų1365.9 Ų65.98%0.0832%0.316CS..  trans-69.9106.5178.6-61.30000110.3L536 E554 N591 Y592 D596 S610L536-T594 HydrophobicContact CD1-CG2 4.18Å; E554-T594 VanDerWaalsContact O-CA 3.28Å; E554-T594 WeakPolarHBondContact O-CA 3.4Å; E554-T594 PolarHBondContact O-N 3.22Å; E554-T594 PolarHBondContact O-OG1 3.19Å; N591-T594 PolarHBondContact ND2-OG1 2.91Å; Y592-T594 PolarHBondContact O-N 2.56Å; T594-D596 HydrophobicContact CG2-CB 4.49Å; T594-D596 PolarHBondContact O-N 2.81Å; T594-S610 WeakPolarHBondContact O-CA 3.34Å; T594-S610 WeakPolarHBondContact O-CB 3.41Å; T594-S610 PolarHBondContact O-OG 3.13Å
595I94.1Very high82.2Confident5 Ų557.8 Ų57.83%0.02628%0.281CS..  trans-94.8100.1178.8-55.4-53.7000108.7A552 C553 L557 F580 H593 K609A552-I595 HydrophobicContact CB-CB 3.92Å; A552-I595 HydrophobicContact CB-CG2 3.7Å; A552-I595 VanDerWaalsContact CB-O 3.31Å; A552-I595 WeakPolarHBondContact CB-O 3.34Å; C553-I595 PolarHBondContact O-N 3.25Å; L557-I595 HydrophobicContact CB-CG1 4.22Å; F580-I595 HydrophobicContact CD2-CD1 4.25Å; F580-I595 HydrophobicContact CE2-CD1 4.14Å; F580-I595 HydrophobicContact CE2-CG1 4.48Å; H593-I595 PolarHBondContact O-N 2.97Å; H593-I595 VanDerWaalsContact O-N 3.11Å; I595-K609 WeakPolarHBondContact CA-O 3.48Å
596D92.6Very high83.1Confident0 Ų051.7 Ų51.70%025%0.251CS..  trans-10410.4-171.281.5-44.6000113.8L536 H537 T594 K609 S610 H611 Y653L536-D596 HydrophobicContact CD1-CB 4.47Å; H537-D596 PolarHBondContact CD2-O 3.12Å; H537-D596 PolarHBondContact NE2-O 3.25Å; T594-D596 HydrophobicContact CG2-CB 4.49Å; T594-D596 PolarHBondContact O-N 2.81Å; D596-K609 PolarHBondContact N-O 3.48Å; D596-K609 VanDerWaalsContact N-O 3.16Å; D596-K609 IonicContact OD1-NZ 3.8Å; D596-K609 PolarHBondContact OD1-NZ 2.71Å; D596-K609 IonicContact OD2-NZ 3.84Å; D596-K609 PolarHBondContact OD2-NZ 3.37Å; D596-S610 WeakPolarHBondContact OD1-CA 3.42Å; D596-H611 PolarHBondContact OD1-N 2.84Å; D596-Y653 HydrophobicContact CB-CD1 4.09Å; D596-Y653 PolarHBondContact OD2-N 3.03Å
597G94.4Very high85.2Confident0 Ų043.3 Ų43.30%021%0.212CC..EExtended strand (participates in β ladder)trans-154.8135.7166.100000111.4S608 K609G597-S608 VanDerWaalsContact O-CA 3.25Å; G597-S608 WeakPolarHBondContact O-CA 3.42Å; G597-K609 PolarHBondContact O-N 3.04Å
598L96.7Very high86.8Confident5 Ų539.8 Ų39.83%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-152.4124.5-178178.572.3000110H537 C539 L550 A552 L557 V606 A607H537-L598 HydrophobicContact CB-CB 4.03Å; C539-L598 HydrophobicContact CB-CD2 3.97Å; C539-L598 HydrophobicContact CB-CG 4.31Å; C539-L598 PolarHBondContact SG-O 3.45Å; L550-L598 HydrophobicContact CB-CD2 3.98Å; A552-L598 HydrophobicContact CB-CB 4.06Å; A552-L598 HydrophobicContact CB-CD2 4.06Å; L557-L598 HydrophobicContact CD1-CD1 4.09Å; L557-L598 HydrophobicContact CD1-CD2 3.83Å; L557-L598 HydrophobicContact CD2-CD1 4.45Å; L598-V606 HydrophobicContact CD1-CG1 3.58Å; L598-A607 WeakPolarHBondContact CA-O 3.14Å
599S96.4Very high88.7Confident8 Ų830.9 Ų30.96%0.05616%0.155CC..EExtended strand (participates in β ladder)trans-155.1153.4169.3-163.80000112.9A607 T658S599-A607 PolarHBondContact N-O 2.83Å; S599-A607 PolarHBondContact O-N 2.86Å; S599-T658 WeakPolarHBondContact CB-OG1 3.49Å; S599-T658 PolarHBondContact OG-OG1 3.13Å
600F95.1Very high90.3Very high13 Ų1322.2 Ų22.26%0.05712%0.115CC..EExtended strand (participates in β ladder)trans-83.7132.9171.7-80.7-94.6000110.6C539 P541 P542 L550 T602 V606 W621 T658C539-F600 HydrophobicContact CB-CD2 3.97Å; C539-F600 HydrophobicContact CB-CE2 3.95Å; P541-F600 HydrophobicContact CB-CE1 4.16Å; P541-F600 HydrophobicContact CB-CE2 4.28Å; P541-F600 HydrophobicContact CB-CZ 3.69Å; P541-F600 HydrophobicContact CG-CE2 4.25Å; P541-F600 HydrophobicContact CG-CZ 3.81Å; P542-F600 HydrophobicContact CG-CB 4.13Å; P542-F600 HydrophobicContact CG-CD1 4.34Å; P542-F600 HydrophobicContact CG-CG 4.23Å; L550-F600 HydrophobicContact CD1-CE2 3.81Å; L550-F600 HydrophobicContact CD1-CZ 3.73Å; F600-T602 WeakPolarHBondContact CD1-O 3.32Å; F600-V606 HydrophobicContact CD1-CG2 3.69Å; F600-V606 HydrophobicContact CE1-CG2 3.43Å; F600-V606 VanDerWaalsContact CE1-CG2 3.43Å; F600-V606 HydrophobicContact CE2-CG2 4.37Å; F600-V606 HydrophobicContact CG-CG2 4.28Å; F600-V606 HydrophobicContact CZ-CG2 3.79Å; F600-W621 HydrophobicContact CE1-CB 4.07Å; F600-W621 AromaticContact CE1-CD1 3.98Å; F600-W621 HydrophobicContact CE1-CG 4.02Å; F600-W621 HydrophobicContact CZ-CG 4.27Å; F600-T658 WeakPolarHBondContact O-CB 3.15Å; F600-T658 PolarHBondContact O-OG1 3.02Å
601L92.6Very high91.4Very high1 Ų120.2 Ų20.21%0.00511%0.105CC..SBendtrans-93.4-33171.2-176.463.6000111.8V605 T658 P660 Y664 I665 I679L601-V605 HydrophobicContact CB-CB 4.18Å; L601-V605 HydrophobicContact CB-CG1 4.03Å; L601-V605 HydrophobicContact CD2-CG1 4.2Å; L601-V605 PolarHBondContact N-O 2.83Å; L601-T658 HydrophobicContact CB-CG2 4.19Å; L601-T658 HydrophobicContact CD1-CG2 4.11Å; L601-P660 WeakPolarHBondContact O-CA 3.33Å; L601-P660 VanDerWaalsContact O-CB 3.29Å; L601-P660 WeakPolarHBondContact O-CB 3.24Å; L601-Y664 VanDerWaalsContact CD1-O 3.26Å; L601-Y664 WeakPolarHBondContact CD1-O 3.45Å; L601-I665 HydrophobicContact CD1-CG1 4.12Å; L601-I665 HydrophobicContact CD2-CD1 4Å; L601-I665 HydrophobicContact CD2-CG1 4.07Å; L601-I679 HydrophobicContact CD2-CD1 3.84Å
602T89.8Confident92Very high35 Ų3516.9 Ų16.922%0.2159%0.088CC..SBendtrans-143.8-177.8173.769.80000109F600 D604 V605F600-T602 WeakPolarHBondContact CD1-O 3.32Å; T602-D604 PolarHBondContact O-N 2.67Å; T602-D604 VanDerWaalsContact O-N 3.08Å; T602-D604 PolarHBondContact OG1-N 3.43Å; T602-V605 PolarHBondContact N-O 3.33Å; T602-V605 WeakPolarHBondContact OG1-CG2 3.33Å; T602-V605 PolarHBondContact OG1-N 3.01Å
603D88.6Confident92.2Very high99 Ų9916.9 Ų16.953%0.5299%0.089SC..SBendtrans-55.9-22.4173.2-70.720.6000114.3P542 A543P542-D603 WeakPolarHBondContact CB-OD1 3.48Å; A543-D603 HydrophobicContact CB-CB 4.42Å
604D90.5Very high92.4Very high27 Ų2714 Ų1414%0.1448%0.077CC..SBendtrans-117.6-33.7-179.3-170.461.1000114.3T602 S620 W621 S622T602-D604 PolarHBondContact O-N 2.67Å; T602-D604 VanDerWaalsContact O-N 3.08Å; T602-D604 PolarHBondContact OG1-N 3.43Å; D604-S620 VanDerWaalsContact CG-OG 3.23Å; D604-S620 PolarHBondContact OD1-OG 3.49Å; D604-S620 VanDerWaalsContact OD1-OG 3.09Å; D604-S620 VanDerWaalsContact OD2-CB 3.25Å; D604-S620 WeakPolarHBondContact OD2-CB 3.38Å; D604-S620 PolarHBondContact OD2-OG 3.36Å; D604-W621 VanDerWaalsContact O-CB 3.31Å; D604-W621 WeakPolarHBondContact O-CB 3.21Å; D604-W621 PolarHBondContact O-N 3.39Å; D604-W621 PolarHBondContact OD1-N 3.14Å; D604-S622 WeakPolarHBondContact OD1-CA 3.44Å; D604-S622 WeakPolarHBondContact OD1-CB 3.48Å; D604-S622 PolarHBondContact OD1-N 3.17Å; D604-S622 PolarHBondContact OD1-OG 3.37Å
605V92.1Very high92.4Very high3 Ų313.8 Ų13.82%0.0188%0.077CC..EExtended strand (participates in β ladder)trans-85.6122.3-174.4-179.30000110.6I350 L601 T602 L641I350-V605 HydrophobicContact CB-CG2 4.48Å; I350-V605 HydrophobicContact CD1-CG2 3.37Å; I350-V605 HydrophobicContact CG1-CG2 3.85Å; I350-V605 HydrophobicContact CG2-CG2 3.81Å; L601-V605 HydrophobicContact CB-CB 4.18Å; L601-V605 HydrophobicContact CB-CG1 4.03Å; L601-V605 HydrophobicContact CD2-CG1 4.2Å; L601-V605 PolarHBondContact N-O 2.83Å; T602-V605 PolarHBondContact N-O 3.33Å; T602-V605 WeakPolarHBondContact OG1-CG2 3.33Å; T602-V605 PolarHBondContact OG1-N 3.01Å; V605-L641 HydrophobicContact CG2-CD1 4.11Å
606V95.7Very high92.4Very high0 Ų013.6 Ų13.60%08%0.076CC..EExtended strand (participates in β ladder)trans-110.6136.2172.2-169.60000109.5L550 L598 F600 L618 W619 W621L550-V606 HydrophobicContact CD1-CG2 4.47Å; L598-V606 HydrophobicContact CD1-CG1 3.58Å; F600-V606 HydrophobicContact CD1-CG2 3.69Å; F600-V606 HydrophobicContact CE1-CG2 3.43Å; F600-V606 VanDerWaalsContact CE1-CG2 3.43Å; F600-V606 HydrophobicContact CE2-CG2 4.37Å; F600-V606 HydrophobicContact CG-CG2 4.28Å; F600-V606 HydrophobicContact CZ-CG2 3.79Å; V606-L618 WeakPolarHBondContact O-CA 3.4Å; V606-W619 HydrophobicContact CB-CD2 4Å; V606-W619 HydrophobicContact CB-CE3 4.49Å; V606-W619 HydrophobicContact CB-CG 4.49Å; V606-W619 HydrophobicContact CB-CH2 4.18Å; V606-W619 HydrophobicContact CB-CZ2 3.63Å; V606-W619 HydrophobicContact CG1-CH2 4.28Å; V606-W619 HydrophobicContact CG1-CZ2 3.48Å; V606-W619 VanDerWaalsContact CG1-CZ2 3.48Å; V606-W619 HydrophobicContact CG2-CD2 4.49Å; V606-W619 HydrophobicContact CG2-CH2 4Å; V606-W619 HydrophobicContact CG2-CZ2 3.96Å; V606-W619 HydrophobicContact CG2-CZ3 4.29Å; V606-W619 PolarHBondContact N-O 2.93Å; V606-W619 PolarHBondContact O-N 3.14Å; V606-W621 HydrophobicContact CG2-CB 4.04Å
607A96.5Very high92.5Very high0 Ų014.2 Ų14.20%08%0.078CC..EExtended strand (participates in β ladder)trans-102.3131.3167.300000109.5L598 S599 I616 Y617 L618 L656 T658 I665L598-A607 WeakPolarHBondContact CA-O 3.14Å; S599-A607 PolarHBondContact N-O 2.83Å; S599-A607 PolarHBondContact O-N 2.86Å; A607-I616 HydrophobicContact CB-CG2 4.31Å; A607-Y617 WeakPolarHBondContact CA-O 3.43Å; A607-L618 HydrophobicContact CB-CD2 3.57Å; A607-L656 HydrophobicContact CB-CD1 4.33Å; A607-L656 HydrophobicContact CB-CD2 3.85Å; A607-T658 HydrophobicContact CB-CG2 4.4Å; A607-I665 HydrophobicContact CB-CG2 4.41Å
608S96.3Very high92.5Very high2 Ų214.3 Ų14.31%0.0148%0.079CC..EExtended strand (participates in β ladder)trans-146.3145.7176.5550000112.2F580 G597 Y617 W619F580-S608 WeakPolarHBondContact CE1-OG 3.48Å; F580-S608 VanDerWaalsContact CZ-OG 3.24Å; F580-S608 WeakPolarHBondContact CZ-OG 3.42Å; G597-S608 VanDerWaalsContact O-CA 3.25Å; G597-S608 WeakPolarHBondContact O-CA 3.42Å; S608-Y617 PolarHBondContact N-O 3.39Å; S608-Y617 PolarHBondContact O-N 3.28Å; S608-W619 PolarHBondContact OG-NE1 3.28Å
609K94.1Very high92.4Very high3 Ų314.1 Ų14.11%0.0138%0.078CC..EExtended strand (participates in β ladder)trans-138.3165.8-178.372.6173.9-169.878.30113.1I595 D596 G597 I616 W646 L654 L656 C667I595-K609 WeakPolarHBondContact CA-O 3.48Å; D596-K609 PolarHBondContact N-O 3.48Å; D596-K609 VanDerWaalsContact N-O 3.16Å; D596-K609 IonicContact OD1-NZ 3.8Å; D596-K609 PolarHBondContact OD1-NZ 2.71Å; D596-K609 IonicContact OD2-NZ 3.84Å; D596-K609 PolarHBondContact OD2-NZ 3.37Å; G597-K609 PolarHBondContact O-N 3.04Å; K609-I616 HydrophobicContact CB-CG1 4.08Å; K609-W646 HydrophobicContact CD-CD2 4.45Å; K609-W646 HydrophobicContact CD-CE3 4.11Å; K609-W646 HydrophobicContact CD-CH2 3.96Å; K609-W646 HydrophobicContact CD-CZ2 4.25Å; K609-W646 HydrophobicContact CD-CZ3 3.87Å; K609-L654 WeakPolarHBondContact CE-O 3.11Å; K609-L654 PolarHBondContact NZ-O 2.84Å; K609-L656 HydrophobicContact CD-CB 4.17Å; K609-L656 HydrophobicContact CD-CD1 4.28Å; K609-L656 HydrophobicContact CG-CD1 4.42Å; K609-C667 WeakPolarHBondContact CE-SG 3.17Å
610S92.1Very high92.2Very high4 Ų413.7 Ų13.73%0.0288%0.075CC..  trans-130.5133.5162.9-174.80000108.4T594 D596 T612 H613T594-S610 WeakPolarHBondContact O-CA 3.34Å; T594-S610 WeakPolarHBondContact O-CB 3.41Å; T594-S610 PolarHBondContact O-OG 3.13Å; D596-S610 WeakPolarHBondContact OD1-CA 3.42Å; S610-T612 VanDerWaalsContact C-N 3.28Å; S610-T612 PolarHBondContact O-N 3.18Å; S610-H613 VanDerWaalsContact O-CB 3.31Å; S610-H613 WeakPolarHBondContact O-CB 3.35Å; S610-H613 PolarHBondContact O-N 3.34Å
611H87.9Confident92.2Very high27 Ų2713.6 Ų13.613%0.1257%0.074CC..G310 helixtrans-45.4-45.2178.662.7-56.4000114.8D596 H613 T649D596-H611 PolarHBondContact OD1-N 2.84Å; H611-H613 VanDerWaalsContact C-N 3.27Å; H611-H613 PolarHBondContact O-N 3.1Å; H611-T649 CarbonylContact C-O 3.55Å
612T85.9Confident92.2Very high16 Ų1616.1 Ų16.110%0.0989%0.092CC..G310 helixtrans-72.1-12.9-178.950.50000114.8N591 S610N591-T612 PolarHBondContact O-OG1 3.08Å; S610-T612 VanDerWaalsContact C-N 3.28Å; S610-T612 PolarHBondContact O-N 3.18Å
613H87.4Confident92.3Very high25 Ų2514.7 Ų14.712%0.1168%0.084CC..G310 helixtrans-82.8-25.1-169.7-174.8-135.1000114.2I582 S610 H611 S615 Y617 E643I582-H613 VanDerWaalsContact CG1-CD2 3.46Å; I582-H613 WeakPolarHBondContact CG1-CD2 3.42Å; S610-H613 VanDerWaalsContact O-CB 3.31Å; S610-H613 WeakPolarHBondContact O-CB 3.35Å; S610-H613 PolarHBondContact O-N 3.34Å; H611-H613 VanDerWaalsContact C-N 3.27Å; H611-H613 PolarHBondContact O-N 3.1Å; H613-S615 VanDerWaalsContact CE1-CB 3.45Å; H613-S615 WeakPolarHBondContact CE1-CB 3.4Å; H613-S615 WeakPolarHBondContact ND1-CB 3.43Å; H613-S615 PolarHBondContact ND1-O 3.38Å; H613-S615 PolarHBondContact O-N 2.81Å; H613-S615 VanDerWaalsContact O-N 3.13Å; H613-Y617 AromaticContact CE1-CD2 3.9Å; H613-Y617 AromaticContact CE1-CE2 3.27Å; H613-Y617 WeakPolarHBondContact CE1-CE2 3.44Å; H613-Y617 AromaticContact CE1-CZ 3.35Å; H613-Y617 AromaticContact ND1-CE2 3.97Å; H613-Y617 AromaticContact NE2-CE2 3.82Å; H613-Y617 AromaticContact NE2-CZ 3.74Å; H613-Y617 PolarHBondContact NE2-OH 3.08Å; H613-E643 IonicContact CE1-OE1 2.7Å
614G89.6Confident92.5Very high7 Ų710 Ų107%0.0726%0.059CC..SBendtrans69.7-1.3-173.100000115.5W646G614-W646 CarbonylContact O-C 3.58Å; G614-W646 WeakPolarHBondContact O-CA 3.47Å; G614-W646 PolarHBondContact O-N 3Å; G614-W646 VanDerWaalsContact O-O 3.06Å
615S92.3Very high92.5Very high10 Ų1014.2 Ų14.27%0.077%0.073CC..EExtended strand (participates in β ladder)trans-139.8145.5-176.2-80.40000112.9H613 E643 L644 T692H613-S615 VanDerWaalsContact CE1-CB 3.45Å; H613-S615 WeakPolarHBondContact CE1-CB 3.4Å; H613-S615 WeakPolarHBondContact ND1-CB 3.43Å; H613-S615 PolarHBondContact ND1-O 3.38Å; H613-S615 PolarHBondContact O-N 2.81Å; H613-S615 VanDerWaalsContact O-N 3.13Å; S615-E643 WeakPolarHBondContact CB-OE1 3.42Å; S615-E643 PolarHBondContact OG-OE1 2.79Å; S615-L644 CarbonylContact C-O 3.57Å; S615-L644 WeakPolarHBondContact CA-O 3.24Å; S615-T692 WeakPolarHBondContact OG-CG2 3.19Å
616I94.9Very high92.4Very high0 Ų018.7 Ų18.70%010%0.104CC..EExtended strand (participates in β ladder)trans-96.7125.2170.4-58162.5000108.7A607 K609 L618 E643 L644 W646 L656 C667 Y677A607-I616 HydrophobicContact CB-CG2 4.31Å; K609-I616 HydrophobicContact CB-CG1 4.08Å; I616-L618 HydrophobicContact CG2-CD2 4.47Å; I616-E643 WeakPolarHBondContact O-CA 3.34Å; I616-L644 HydrophobicContact CB-CB 4.23Å; I616-L644 HydrophobicContact CB-CD1 4.39Å; I616-L644 HydrophobicContact CG2-CD1 4.39Å; I616-L644 PolarHBondContact N-O 3.45Å; I616-L644 PolarHBondContact O-N 2.87Å; I616-W646 HydrophobicContact CD1-CB 4.17Å; I616-W646 HydrophobicContact CD1-CG 4.23Å; I616-W646 HydrophobicContact CG1-CB 4.1Å; I616-W646 HydrophobicContact CG1-CG 4.31Å; I616-L656 HydrophobicContact CB-CD1 4.4Å; I616-L656 HydrophobicContact CD1-CD1 3.83Å; I616-L656 HydrophobicContact CG1-CD1 3.96Å; I616-L656 HydrophobicContact CG2-CD1 3.54Å; I616-C667 HydrophobicContact CD1-CB 4.08Å; I616-Y677 HydrophobicContact CD1-CD2 4.47Å; I616-Y677 HydrophobicContact CD1-CE2 3.63Å
617Y94.5Very high92.2Very high13 Ų1321.9 Ų21.95%0.05112%0.119CC..EExtended strand (participates in β ladder)trans-84.9132.6172.8-79.9-53.1000111.8F580 I582 A607 S608 H613 V640 E643F580-Y617 HydrophobicContact CB-CD2 4.16Å; F580-Y617 HydrophobicContact CB-CE2 3.92Å; F580-Y617 AromaticContact CD1-CD2 3.51Å; F580-Y617 HydrophobicContact CD1-CD2 3.51Å; F580-Y617 HydrophobicContact CD1-CE2 4.12Å; F580-Y617 HydrophobicContact CD1-CG 4.06Å; F580-Y617 HydrophobicContact CE1-CD2 4.22Å; F580-Y617 HydrophobicContact CG-CD2 4.03Å; F580-Y617 HydrophobicContact CG-CE2 4.31Å; I582-Y617 HydrophobicContact CB-CE2 4.35Å; I582-Y617 HydrophobicContact CG2-CE2 3.99Å; A607-Y617 WeakPolarHBondContact CA-O 3.43Å; S608-Y617 PolarHBondContact N-O 3.39Å; S608-Y617 PolarHBondContact O-N 3.28Å; H613-Y617 AromaticContact CE1-CD2 3.9Å; H613-Y617 AromaticContact CE1-CE2 3.27Å; H613-Y617 WeakPolarHBondContact CE1-CE2 3.44Å; H613-Y617 AromaticContact CE1-CZ 3.35Å; H613-Y617 AromaticContact ND1-CE2 3.97Å; H613-Y617 AromaticContact NE2-CE2 3.82Å; H613-Y617 AromaticContact NE2-CZ 3.74Å; H613-Y617 PolarHBondContact NE2-OH 3.08Å; Y617-V640 HydrophobicContact CD1-CG1 3.67Å; Y617-V640 HydrophobicContact CD1-CG2 3.99Å; Y617-V640 HydrophobicContact CE1-CG1 4.06Å; Y617-V640 HydrophobicContact CE1-CG2 4.29Å; Y617-V640 HydrophobicContact CG-CG2 4.43Å; Y617-E643 HydrophobicContact CD1-CB 4.2Å; Y617-E643 HydrophobicContact CD1-CG 3.95Å; Y617-E643 HydrophobicContact CE1-CB 4.23Å; Y617-E643 HydrophobicContact CE1-CG 3.82Å; Y617-E643 WeakPolarHBondContact CE1-OE2 3.39Å
618L93.9Very high91.7Very high3 Ų333 Ų332%0.01616%0.161CC..EExtended strand (participates in β ladder)trans-104.8127.6164.2-58.2-168.1000110.2V606 A607 I616 V640 L641 A642 L644 I665 L682V606-L618 WeakPolarHBondContact O-CA 3.4Å; A607-L618 HydrophobicContact CB-CD2 3.57Å; I616-L618 HydrophobicContact CG2-CD2 4.47Å; L618-V640 CarbonylContact O-C 3.47Å; L618-L641 PolarHBondContact O-N 3.32Å; L618-A642 HydrophobicContact CB-CB 4.42Å; L618-A642 PolarHBondContact N-O 2.97Å; L618-A642 PolarHBondContact O-N 2.83Å; L618-L644 HydrophobicContact CD1-CD1 4.11Å; L618-L644 HydrophobicContact CD1-CD2 4.12Å; L618-L644 HydrophobicContact CD1-CG 4.35Å; L618-L644 HydrophobicContact CD2-CD1 4.11Å; L618-L644 HydrophobicContact CG-CD1 4.06Å; L618-L644 HydrophobicContact CG-CD2 4.38Å; L618-L644 HydrophobicContact CG-CG 4.16Å; L618-I665 HydrophobicContact CD1-CD1 3.89Å; L618-I665 HydrophobicContact CD2-CD1 3.65Å; L618-I665 HydrophobicContact CG-CD1 4.37Å; L618-L682 HydrophobicContact CD1-CD1 3.93Å; L618-L682 HydrophobicContact CD1-CD2 3.94Å; L618-L682 HydrophobicContact CD1-CG 4.48Å
619W94.1Very high91.3Very high0 Ų036.2 Ų36.20%018%0.181CC..EExtended strand (participates in β ladder)trans-143.3155.8-175.456.4-80.4000113.3L550 L557 I578 F580 V606 S608 W621 T624 A638 V639L550-W619 HydrophobicContact CD1-CH2 3.89Å; L550-W619 HydrophobicContact CD1-CZ2 4.34Å; L557-W619 HydrophobicContact CD2-CH2 4.04Å; L557-W619 HydrophobicContact CD2-CZ2 3.51Å; I578-W619 HydrophobicContact CD1-CH2 3.64Å; I578-W619 HydrophobicContact CD1-CZ3 4.02Å; I578-W619 HydrophobicContact CG2-CH2 4.38Å; I578-W619 HydrophobicContact CG2-CZ3 4.42Å; F580-W619 AromaticContact CE1-CD1 3.77Å; F580-W619 HydrophobicContact CE1-CG 4.33Å; F580-W619 AromaticContact CE1-NE1 3.72Å; F580-W619 AromaticContact CZ-NE1 3.79Å; V606-W619 HydrophobicContact CB-CD2 4Å; V606-W619 HydrophobicContact CB-CE3 4.49Å; V606-W619 HydrophobicContact CB-CG 4.49Å; V606-W619 HydrophobicContact CB-CH2 4.18Å; V606-W619 HydrophobicContact CB-CZ2 3.63Å; V606-W619 HydrophobicContact CG1-CH2 4.28Å; V606-W619 HydrophobicContact CG1-CZ2 3.48Å; V606-W619 VanDerWaalsContact CG1-CZ2 3.48Å; V606-W619 HydrophobicContact CG2-CD2 4.49Å; V606-W619 HydrophobicContact CG2-CH2 4Å; V606-W619 HydrophobicContact CG2-CZ2 3.96Å; V606-W619 HydrophobicContact CG2-CZ3 4.29Å; V606-W619 PolarHBondContact N-O 2.93Å; V606-W619 PolarHBondContact O-N 3.14Å; S608-W619 PolarHBondContact OG-NE1 3.28Å; W619-W621 HydrophobicContact CH2-CE3 4.39Å; W619-W621 HydrophobicContact CZ3-CE3 4.13Å; W619-T624 HydrophobicContact CE3-CG2 4.42Å; W619-T624 HydrophobicContact CZ3-CG2 4.17Å; W619-A638 HydrophobicContact CB-CB 4.11Å; W619-A638 HydrophobicContact CD2-CB 4.14Å; W619-A638 HydrophobicContact CE3-CB 4.37Å; W619-A638 HydrophobicContact CG-CB 4.04Å; W619-V639 WeakPolarHBondContact CA-O 3.4Å; W619-V639 VanDerWaalsContact CB-O 3.31Å; W619-V639 WeakPolarHBondContact CB-O 3.48Å
620S93.3Very high90.8Very high0 Ų040 Ų400%020%0.202CC..EExtended strand (participates in β ladder)trans-87121.1179.4172.40000111.2D604 G623 T624 V639D604-S620 VanDerWaalsContact CG-OG 3.23Å; D604-S620 PolarHBondContact OD1-OG 3.49Å; D604-S620 VanDerWaalsContact OD1-OG 3.09Å; D604-S620 VanDerWaalsContact OD2-CB 3.25Å; D604-S620 WeakPolarHBondContact OD2-CB 3.38Å; D604-S620 PolarHBondContact OD2-OG 3.36Å; S620-G623 PolarHBondContact OG-N 2.84Å; S620-T624 VanDerWaalsContact O-CB 3.25Å; S620-T624 WeakPolarHBondContact O-CB 3.5Å; S620-T624 PolarHBondContact O-N 3.27Å; S620-T624 PolarHBondContact O-OG1 3.12Å; S620-V639 PolarHBondContact N-O 2.88Å
621W94.2Very high90.2Very high11 Ų1149.9 Ų49.94%0.04224%0.244CC..Hα-helixtrans-65.3-51.4176.9168.4-132000111.9P541 H548 L550 I578 F600 D604 V606 W619 T624 R625P541-W621 HydrophobicContact CG-CZ2 3.86Å; H548-W621 HydrophobicContact CB-CZ2 4.13Å; H548-W621 AromaticContact CD2-CZ2 3.94Å; L550-W621 HydrophobicContact CD1-CE3 4.42Å; L550-W621 HydrophobicContact CD2-CE3 4.41Å; L550-W621 HydrophobicContact CD2-CH2 4.18Å; L550-W621 HydrophobicContact CD2-CZ3 3.8Å; L550-W621 HydrophobicContact CG-CZ3 4.49Å; I578-W621 HydrophobicContact CD1-CZ3 4.29Å; F600-W621 HydrophobicContact CE1-CB 4.07Å; F600-W621 AromaticContact CE1-CD1 3.98Å; F600-W621 HydrophobicContact CE1-CG 4.02Å; F600-W621 HydrophobicContact CZ-CG 4.27Å; D604-W621 VanDerWaalsContact O-CB 3.31Å; D604-W621 WeakPolarHBondContact O-CB 3.21Å; D604-W621 PolarHBondContact O-N 3.39Å; D604-W621 PolarHBondContact OD1-N 3.14Å; V606-W621 HydrophobicContact CG2-CB 4.04Å; W619-W621 HydrophobicContact CH2-CE3 4.39Å; W619-W621 HydrophobicContact CZ3-CE3 4.13Å; W621-T624 PolarHBondContact O-N 3.19Å; W621-R625 HydrophobicContact CH2-CG 4.48Å; W621-R625 HydrophobicContact CZ3-CB 4.38Å; W621-R625 WeakPolarHBondContact O-CB 3.47Å; W621-R625 PolarHBondContact O-N 3.27Å
622S91.8Very high89.8Confident53 Ų5360.2 Ų60.237%0.37128%0.282SS..Hα-helixtrans-65.9-41.2178.766.20000111.7D604 T624 R625 S626D604-S622 WeakPolarHBondContact OD1-CA 3.44Å; D604-S622 WeakPolarHBondContact OD1-CB 3.48Å; D604-S622 PolarHBondContact OD1-N 3.17Å; D604-S622 PolarHBondContact OD1-OG 3.37Å; S622-T624 PolarHBondContact O-N 3.32Å; S622-R625 PolarHBondContact O-N 3.48Å; S622-S626 VanDerWaalsContact O-CB 3.32Å; S622-S626 WeakPolarHBondContact O-CB 3.22Å; S622-S626 PolarHBondContact O-N 3.05Å
623G91.9Very high89.6Confident5 Ų562.8 Ų62.85%0.05230%0.301CS..Hα-helixtrans-58.9-45.8173.900000111.9S620 S626 V639S620-G623 PolarHBondContact OG-N 2.84Å; G623-S626 PolarHBondContact O-N 2.92Å; G623-S626 PolarHBondContact O-OG 3.23Å; G623-V639 VanDerWaalsContact C-CG2 3.45Å
624T94Very high89.4Confident1 Ų163.3 Ų63.31%0.00631%0.313CS..Hα-helixtrans-66.3-45.8178.4-56.80000111.5I578 W619 S620 W621 S622 S626 Q627 V636 V639I578-T624 HydrophobicContact CD1-CG2 4.47Å; I578-T624 HydrophobicContact CG1-CG2 4.49Å; I578-T624 HydrophobicContact CG2-CG2 4.06Å; W619-T624 HydrophobicContact CE3-CG2 4.42Å; W619-T624 HydrophobicContact CZ3-CG2 4.17Å; S620-T624 VanDerWaalsContact O-CB 3.25Å; S620-T624 WeakPolarHBondContact O-CB 3.5Å; S620-T624 PolarHBondContact O-N 3.27Å; S620-T624 PolarHBondContact O-OG1 3.12Å; W621-T624 PolarHBondContact O-N 3.19Å; S622-T624 PolarHBondContact O-N 3.32Å; T624-S626 VanDerWaalsContact C-N 3.27Å; T624-S626 PolarHBondContact O-N 3.22Å; T624-Q627 WeakPolarHBondContact O-CB 3.33Å; T624-Q627 PolarHBondContact O-N 3.14Å; T624-V636 HydrophobicContact CG2-CB 4.44Å; T624-V636 HydrophobicContact CG2-CG2 3.73Å; T624-V639 PolarHBondContact OG1-N 3.23Å
625R90.5Very high89.5Confident116 Ų11663.7 Ų63.744%0.43832%0.315SS..Hα-helixtrans-68.3-21.3177.8-168.9178.164.8-175.5-4.4113.6W621 S622 Q627W621-R625 HydrophobicContact CH2-CG 4.48Å; W621-R625 HydrophobicContact CZ3-CB 4.38Å; W621-R625 WeakPolarHBondContact O-CB 3.47Å; W621-R625 PolarHBondContact O-N 3.27Å; S622-R625 PolarHBondContact O-N 3.48Å; R625-Q627 VanDerWaalsContact C-N 3.3Å
626S90.3Very high89.5Confident96 Ų9663.9 Ų63.967%0.67132%0.315SS*.THydrogen-bonded Turntrans-77-13.8176.376.20000114.2S622 G623 T624S622-S626 VanDerWaalsContact O-CB 3.32Å; S622-S626 WeakPolarHBondContact O-CB 3.22Å; S622-S626 PolarHBondContact O-N 3.05Å; G623-S626 PolarHBondContact O-N 2.92Å; G623-S626 PolarHBondContact O-OG 3.23Å; T624-S626 VanDerWaalsContact C-N 3.27Å; T624-S626 PolarHBondContact O-N 3.22Å
627Q90.7Very high89.5Confident67 Ų6765.9 Ų65.931%0.31333%0.329SS..SBendtrans-69.2148.7176.8-67.3174.433.200111.3T624 R625 V636 C637T624-Q627 WeakPolarHBondContact O-CB 3.33Å; T624-Q627 PolarHBondContact O-N 3.14Å; R625-Q627 VanDerWaalsContact C-N 3.3Å; Q627-V636 HydrophobicContact CB-CG1 4.2Å; Q627-C637 PolarHBondContact NE2-O 2.64Å; Q627-C637 PolarHBondContact OE1-O 2.8Å
628R85.8Confident89.5Confident235 Ų23565.6 Ų65.689%0.88733%0.329SS*.PPolyproline II helixtrans-76.6127.6163.2-65.1-178.2178.7-175.1-1.8108
629P87.1Confident89.4Confident68 Ų6867.1 Ų67.144%0.44234%0.339SS..PPolyproline II helixtrans-55.4149.2173.7-25.634.6000112.2S635 V636P629-S635 WeakPolarHBondContact CA-O 3.42Å; P629-V636 HydrophobicContact CB-CG1 4.28Å; P629-V636 HydrophobicContact CG-CG1 4.12Å
630D85.1Confident89.3Confident83 Ų8368.3 Ų68.344%0.44435%0.346SS..PPolyproline II helixtrans-62.5143.9174.8175.1-102.8000111.5R632 S633 G634 S635D630-R632 VanDerWaalsContact C-N 3.26Å; D630-R632 PolarHBondContact O-N 2.7Å; D630-R632 WeakPolarHBondContact OD1-CA 3.24Å; D630-R632 WeakPolarHBondContact OD1-CB 3.49Å; D630-R632 PolarHBondContact OD1-N 3.02Å; D630-S633 PolarHBondContact OD1-N 2.95Å; D630-S633 PolarHBondContact OD1-OG 2.76Å; D630-G634 VanDerWaalsContact O-CA 3.32Å; D630-G634 WeakPolarHBondContact O-CA 3.3Å; D630-G634 PolarHBondContact O-N 3.4Å; D630-S635 PolarHBondContact N-O 3.08Å
631K79.6Confident89.1Confident211 Ų21168.8 Ų68.892%0.91735%0.348SS*.THydrogen-bonded Turntrans-73.5-12-174.3-65.7-171.4178.4-174.90114.4
632R79.9Confident88.8Confident244 Ų24468.7 Ų68.792%0.92135%0.35SS*.THydrogen-bonded Turntrans-107.9-44.9-178.8-60.4178.6173-174.9-2.3112D630D630-R632 VanDerWaalsContact C-N 3.26Å; D630-R632 PolarHBondContact O-N 2.7Å; D630-R632 WeakPolarHBondContact OD1-CA 3.24Å; D630-R632 WeakPolarHBondContact OD1-CB 3.49Å; D630-R632 PolarHBondContact OD1-N 3.02Å
633S80.8Confident88.8Confident71 Ų7168.9 Ų68.950%0.49735%0.345SS..THydrogen-bonded Turntrans-92.9-24.5-179.461.30000114.3D630 S635D630-S633 PolarHBondContact OD1-N 2.95Å; D630-S633 PolarHBondContact OD1-OG 2.76Å; S633-S635 WeakPolarHBondContact CB-OG 3.4Å; S633-S635 PolarHBondContact O-N 3.17Å; S633-S635 PolarHBondContact OG-N 3.13Å; S633-S635 VanDerWaalsContact OG-N 3.16Å; S633-S635 PolarHBondContact OG-OG 2.8Å
634G83.8Confident88.9Confident36 Ų3668.8 Ų68.837%0.37134%0.343SS..  trans68.111.4-167.600000114D630D630-G634 VanDerWaalsContact O-CA 3.32Å; D630-G634 WeakPolarHBondContact O-CA 3.3Å; D630-G634 PolarHBondContact O-N 3.4Å
635S90.3Very high88.9Confident15 Ų1572.8 Ų72.811%0.10536%0.362CS..  trans-94.1162.4178.767.20000112.6E577 P629 D630 S633E577-S635 WeakPolarHBondContact O-CA 3.47Å; E577-S635 WeakPolarHBondContact O-CB 3.47Å; P629-S635 WeakPolarHBondContact CA-O 3.42Å; D630-S635 PolarHBondContact N-O 3.08Å; S633-S635 WeakPolarHBondContact CB-OG 3.4Å; S633-S635 PolarHBondContact O-N 3.17Å; S633-S635 PolarHBondContact OG-N 3.13Å; S633-S635 VanDerWaalsContact OG-N 3.16Å; S633-S635 PolarHBondContact OG-OG 2.8Å
636V93.7Very high89.1Confident13 Ų1367.6 Ų67.68%0.07934%0.342CS..EExtended strand (participates in β ladder)trans-118.7161.3172-65.90000110T576 E577 I578 T579 T624 Q627 P629T576-V636 HydrophobicContact CG2-CG1 4.21Å; T576-V636 HydrophobicContact CG2-CG2 4.07Å; E577-V636 PolarHBondContact O-N 3.23Å; I578-V636 HydrophobicContact CG1-CG2 4.02Å; T579-V636 PolarHBondContact N-O 2.94Å; T579-V636 PolarHBondContact OG1-O 3.02Å; T624-V636 HydrophobicContact CG2-CB 4.44Å; T624-V636 HydrophobicContact CG2-CG2 3.73Å; Q627-V636 HydrophobicContact CB-CG1 4.2Å; P629-V636 HydrophobicContact CB-CG1 4.28Å; P629-V636 HydrophobicContact CG-CG1 4.12Å
637C93.5Very high89.2Confident43 Ų4363.5 Ų63.529%0.29131%0.314SS..EExtended strand (participates in β ladder)trans-105.3132.9178-167.70000110.7T579 Q627 V639T579-C637 CarbonylContact O-C 3.41Å; T579-C637 WeakPolarHBondContact O-CA 3.47Å; Q627-C637 PolarHBondContact NE2-O 2.64Å; Q627-C637 PolarHBondContact OE1-O 2.8Å; C637-V639 PolarHBondContact O-N 2.69Å
638A94.3Very high89Confident6 Ų666.2 Ų66.25%0.0533%0.329CS..  trans-58.9128.7179.700000111.4I578 T579 F580 W619 V640I578-A638 HydrophobicContact CG2-CB 3.96Å; T579-A638 PolarHBondContact O-N 3.06Å; F580-A638 HydrophobicContact CD1-CB 3.71Å; F580-A638 HydrophobicContact CE1-CB 3.55Å; F580-A638 HydrophobicContact CZ-CB 4.27Å; W619-A638 HydrophobicContact CB-CB 4.11Å; W619-A638 HydrophobicContact CD2-CB 4.14Å; W619-A638 HydrophobicContact CE3-CB 4.37Å; W619-A638 HydrophobicContact CG-CB 4.04Å; A638-V640 VanDerWaalsContact C-N 3.27Å; A638-V640 HydrophobicContact CB-CG2 4.39Å; A638-V640 PolarHBondContact O-N 2.64Å
639V93.3Very high89.2Confident36 Ų3655.3 Ų55.322%0.21829%0.289CS..EExtended strand (participates in β ladder)trans-75.781.3174.6-178.90000109W619 S620 G623 T624 C637 L641W619-V639 WeakPolarHBondContact CA-O 3.4Å; W619-V639 VanDerWaalsContact CB-O 3.31Å; W619-V639 WeakPolarHBondContact CB-O 3.48Å; S620-V639 PolarHBondContact N-O 2.88Å; G623-V639 VanDerWaalsContact C-CG2 3.45Å; T624-V639 PolarHBondContact OG1-N 3.23Å; C637-V639 PolarHBondContact O-N 2.69Å; V639-L641 PolarHBondContact O-N 2.88Å; V639-L641 VanDerWaalsContact O-N 3.11Å
640V91.8Very high89.2Confident24 Ų2458.6 Ų58.615%0.14530%0.303CS..EExtended strand (participates in β ladder)trans-65.9108.2-176.91800000111R343 P581 Y617 L618 A638 A642R343-V640 PolarHBondContact NE-O 3.33Å; R343-V640 PolarHBondContact NH2-O 3.15Å; P581-V640 HydrophobicContact CG-CG2 3.87Å; Y617-V640 HydrophobicContact CD1-CG1 3.67Å; Y617-V640 HydrophobicContact CD1-CG2 3.99Å; Y617-V640 HydrophobicContact CE1-CG1 4.06Å; Y617-V640 HydrophobicContact CE1-CG2 4.29Å; Y617-V640 HydrophobicContact CG-CG2 4.43Å; L618-V640 CarbonylContact O-C 3.47Å; A638-V640 VanDerWaalsContact C-N 3.27Å; A638-V640 HydrophobicContact CB-CG2 4.39Å; A638-V640 PolarHBondContact O-N 2.64Å; V640-A642 WeakPolarHBondContact CG1-O 3.23Å
641L88.5Confident89.5Confident11 Ų1156.3 Ų56.36%0.05829%0.292CS..EExtended strand (participates in β ladder)trans-74.8-44.7174.5-58.2176.3000110.3R343 H346 V347 I350 V605 L618 V639R343-L641 VanDerWaalsContact CD-O 3.23Å; R343-L641 WeakPolarHBondContact CD-O 3.46Å; R343-L641 VanDerWaalsContact CZ-O 3.31Å; R343-L641 PolarHBondContact NE-O 2.95Å; H346-L641 HydrophobicContact CB-CD2 3.69Å; V347-L641 HydrophobicContact CG2-CB 4.09Å; V347-L641 HydrophobicContact CG2-CD2 4.12Å; I350-L641 HydrophobicContact CD1-CD1 3.68Å; V605-L641 HydrophobicContact CG2-CD1 4.11Å; L618-L641 PolarHBondContact O-N 3.32Å; V639-L641 PolarHBondContact O-N 2.88Å; V639-L641 VanDerWaalsContact O-N 3.11Å
642A89.1Confident90Very high9 Ų948.1 Ų48.17%0.07426%0.26CS..EExtended strand (participates in β ladder)trans-158.4170.4-179.300000112L618 V640 L682 I693L618-A642 HydrophobicContact CB-CB 4.42Å; L618-A642 PolarHBondContact N-O 2.97Å; L618-A642 PolarHBondContact O-N 2.83Å; V640-A642 WeakPolarHBondContact CG1-O 3.23Å; A642-L682 HydrophobicContact CB-CD2 3.22Å; A642-I693 HydrophobicContact CB-CD1 3.92Å
643E91.5Very high90.5Very high56 Ų5640.8 Ų40.826%0.26223%0.233SC..EExtended strand (participates in β ladder)trans-134.4129.4176.9-168.7-179.9143.800108.1H613 S615 I616 Y617 T692 I693H613-E643 IonicContact CE1-OE1 2.7Å; S615-E643 WeakPolarHBondContact CB-OE1 3.42Å; S615-E643 PolarHBondContact OG-OE1 2.79Å; I616-E643 WeakPolarHBondContact O-CA 3.34Å; Y617-E643 HydrophobicContact CD1-CB 4.2Å; Y617-E643 HydrophobicContact CD1-CG 3.95Å; Y617-E643 HydrophobicContact CE1-CB 4.23Å; Y617-E643 HydrophobicContact CE1-CG 3.82Å; Y617-E643 WeakPolarHBondContact CE1-OE2 3.39Å; E643-T692 HydrophobicContact CG-CG2 4.06Å; E643-T692 WeakPolarHBondContact OE1-CG2 3.35Å; E643-I693 PolarHBondContact O-N 3.33Å
644L93.1Very high91Very high4 Ų437.4 Ų37.42%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-109.3132.5-175.3-41.8176.6000109.6S615 I616 L618 W646 I665 Y677 L682 I693S615-L644 CarbonylContact C-O 3.57Å; S615-L644 WeakPolarHBondContact CA-O 3.24Å; I616-L644 HydrophobicContact CB-CB 4.23Å; I616-L644 HydrophobicContact CB-CD1 4.39Å; I616-L644 HydrophobicContact CG2-CD1 4.39Å; I616-L644 PolarHBondContact N-O 3.45Å; I616-L644 PolarHBondContact O-N 2.87Å; L618-L644 HydrophobicContact CD1-CD1 4.11Å; L618-L644 HydrophobicContact CD1-CD2 4.12Å; L618-L644 HydrophobicContact CD1-CG 4.35Å; L618-L644 HydrophobicContact CD2-CD1 4.11Å; L618-L644 HydrophobicContact CG-CD1 4.06Å; L618-L644 HydrophobicContact CG-CD2 4.38Å; L618-L644 HydrophobicContact CG-CG 4.16Å; L644-W646 PolarHBondContact O-N 3.24Å; L644-I665 HydrophobicContact CD1-CD1 3.77Å; L644-Y677 HydrophobicContact CB-CD1 3.88Å; L644-Y677 HydrophobicContact CB-CE1 3.75Å; L644-Y677 HydrophobicContact CD1-CD1 3.87Å; L644-Y677 HydrophobicContact CD1-CD2 4.14Å; L644-Y677 HydrophobicContact CD1-CE1 4.37Å; L644-Y677 HydrophobicContact CD1-CG 3.76Å; L644-Y677 HydrophobicContact CG-CD1 4.34Å; L644-L682 HydrophobicContact CD2-CD2 4.36Å; L644-I693 WeakPolarHBondContact CA-O 3.44Å; L644-I693 HydrophobicContact CD2-CB 3.93Å; L644-I693 HydrophobicContact CD2-CD1 4.34Å; L644-I693 HydrophobicContact CD2-CG2 4.34Å
645Q94.3Very high91.3Very high84 Ų8436 Ų3639%0.39319%0.193SC..EExtended strand (participates in β ladder)trans-67.4126.9176.5-177.4-169.21.200110.4Y677 I693Q645-Y677 WeakPolarHBondContact O-CE1 3.45Å; Q645-Y677 PolarHBondContact O-OH 2.88Å; Q645-I693 PolarHBondContact N-O 3.31Å
646W94.8Very high91.5Very high8 Ų835.5 Ų35.53%0.0319%0.19CC..  trans-132.6-174.2176.1176.652.5000110.2K609 G614 I616 L644 T649 L654 G668 W675K609-W646 HydrophobicContact CD-CD2 4.45Å; K609-W646 HydrophobicContact CD-CE3 4.11Å; K609-W646 HydrophobicContact CD-CH2 3.96Å; K609-W646 HydrophobicContact CD-CZ2 4.25Å; K609-W646 HydrophobicContact CD-CZ3 3.87Å; G614-W646 CarbonylContact O-C 3.58Å; G614-W646 WeakPolarHBondContact O-CA 3.47Å; G614-W646 PolarHBondContact O-N 3Å; G614-W646 VanDerWaalsContact O-O 3.06Å; I616-W646 HydrophobicContact CD1-CB 4.17Å; I616-W646 HydrophobicContact CD1-CG 4.23Å; I616-W646 HydrophobicContact CG1-CB 4.1Å; I616-W646 HydrophobicContact CG1-CG 4.31Å; L644-W646 PolarHBondContact O-N 3.24Å; W646-T649 HydrophobicContact CH2-CG2 4.08Å; W646-L654 HydrophobicContact CZ2-CD1 4.45Å; W646-G668 WeakPolarHBondContact CZ2-O 3.34Å; W646-G668 PolarHBondContact NE1-O 2.94Å; W646-W675 AromaticContact CD1-CD1 3.93Å; W646-W675 AromaticContact CD1-CG 3.74Å
647A92.1Very high91.6Very high9 Ų936.6 Ų36.67%0.07420%0.195CC..  trans-71.1142.5176.200000112D669 W675A647-D669 HydrophobicContact CB-CB 3.61Å; A647-W675 HydrophobicContact CB-CZ2 4.31Å
648I86.9Confident91.7Very high125 Ų12535.1 Ų35.164%0.64119%0.185SC*.  trans-89.8122.3164.6-61169.8000107.3
649T90.3Very high91.7Very high5 Ų535 Ų353%0.03118%0.183CC..  trans-150.5146-179.5-178.60000112.5H611 W646 V651 L654 D670H611-T649 CarbonylContact C-O 3.55Å; W646-T649 HydrophobicContact CH2-CG2 4.08Å; T649-V651 VanDerWaalsContact C-N 3.25Å; T649-V651 WeakPolarHBondContact OG1-CB 3.18Å; T649-V651 PolarHBondContact OG1-N 3.43Å; T649-L654 HydrophobicContact CG2-CD1 4.12Å; T649-D670 VanDerWaalsContact CB-OD2 3.3Å; T649-D670 WeakPolarHBondContact CB-OD2 3.2Å; T649-D670 PolarHBondContact OG1-OD2 3.44Å
650D86.9Confident91.5Very high137 Ų13736.9 Ų36.973%0.73320%0.196SC*.SBendtrans-84.85.4169.6-62.9-44.6000112.5P652D650-P652 WeakPolarHBondContact O-CD 3.1Å
651V90.5Very high91.2Very high36 Ų3637.6 Ų37.622%0.21821%0.209CC..  trans-92.4107178.2-175.80000110.3T649 L654 D670T649-V651 VanDerWaalsContact C-N 3.25Å; T649-V651 WeakPolarHBondContact OG1-CB 3.18Å; T649-V651 PolarHBondContact OG1-N 3.43Å; V651-L654 HydrophobicContact CB-CD1 4.37Å; V651-L654 HydrophobicContact CG1-CD1 4.36Å; V651-L654 HydrophobicContact CG1-CD2 3.93Å; V651-L654 HydrophobicContact CG1-CG 4.21Å; V651-D670 HydrophobicContact CB-CB 4.17Å; V651-D670 HydrophobicContact CG2-CB 3.84Å
652P89.7Confident91.2Very high38 Ų3840.1 Ų40.125%0.24722%0.218CC..  trans-79.3165.8177.333.8-37.5000112.7D650 L654D650-P652 WeakPolarHBondContact O-CD 3.1Å; P652-L654 VanDerWaalsContact C-N 3.33Å; P652-L654 PolarHBondContact O-N 2.87Å
653Y90.4Very high91.2Very high91 Ų9139.8 Ų39.836%0.35722%0.215SC..  trans72.419.5169.2-39.1-51.9000115L536 D596 S655L536-Y653 HydrophobicContact CD1-CD1 4Å; L536-Y653 HydrophobicContact CD1-CE1 3.65Å; L536-Y653 HydrophobicContact CD2-CD1 3.91Å; L536-Y653 HydrophobicContact CD2-CE1 3.58Å; L536-Y653 HydrophobicContact CG-CE1 4.26Å; D596-Y653 HydrophobicContact CB-CD1 4.09Å; D596-Y653 PolarHBondContact OD2-N 3.03Å; Y653-S655 PolarHBondContact O-N 2.93Å
654L93.3Very high91.2Very high0 Ų037.1 Ų37.10%020%0.203CC..  trans-72.9111167.2-52.7178.7000108.4K609 W646 T649 V651 P652 D670K609-L654 WeakPolarHBondContact CE-O 3.11Å; K609-L654 PolarHBondContact NZ-O 2.84Å; W646-L654 HydrophobicContact CZ2-CD1 4.45Å; T649-L654 HydrophobicContact CG2-CD1 4.12Å; V651-L654 HydrophobicContact CB-CD1 4.37Å; V651-L654 HydrophobicContact CG1-CD1 4.36Å; V651-L654 HydrophobicContact CG1-CD2 3.93Å; V651-L654 HydrophobicContact CG1-CG 4.21Å; P652-L654 VanDerWaalsContact C-N 3.33Å; P652-L654 PolarHBondContact O-N 2.87Å; L654-D670 HydrophobicContact CD1-CB 4.49Å
655S89.1Confident91.4Very high5 Ų537.2 Ų37.24%0.03520%0.203CC..  trans-72.6136.1-167.289.90000113.5H537 Y653 N718 S719 V720H537-S655 WeakPolarHBondContact CE1-CB 3.47Å; Y653-S655 PolarHBondContact O-N 2.93Å; S655-N718 PolarHBondContact N-O 3.41Å; S655-S719 WeakPolarHBondContact OG-CA 3.39Å; S655-S719 WeakPolarHBondContact OG-CB 3.38Å; S655-S719 PolarHBondContact OG-OG 2.85Å; S655-V720 PolarHBondContact OG-N 2.9Å
656L94.4Very high91.5Very high6 Ų633.2 Ų33.23%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-89.6142.6165.5178149.3000110.7A607 K609 I616 I665A607-L656 HydrophobicContact CB-CD1 4.33Å; A607-L656 HydrophobicContact CB-CD2 3.85Å; K609-L656 HydrophobicContact CD-CB 4.17Å; K609-L656 HydrophobicContact CD-CD1 4.28Å; K609-L656 HydrophobicContact CG-CD1 4.42Å; I616-L656 HydrophobicContact CB-CD1 4.4Å; I616-L656 HydrophobicContact CD1-CD1 3.83Å; I616-L656 HydrophobicContact CG1-CD1 3.96Å; I616-L656 HydrophobicContact CG2-CD1 3.54Å; L656-I665 HydrophobicContact CD1-CG2 4.16Å; L656-I665 HydrophobicContact CD2-CG2 4.42Å; L656-I665 HydrophobicContact CG-CG2 4.29Å
657N96.4Very high91.6Very high36 Ų3632.8 Ų32.819%0.19318%0.183CC..EExtended strand (participates in β ladder)trans-139.9165.8175-150.2-22.8000112.2V666 V720 M722N657-V666 PolarHBondContact N-O 3.43Å; N657-V666 PolarHBondContact O-N 2.98Å; N657-V720 HydrophobicContact CB-CG2 3.96Å; N657-V720 WeakPolarHBondContact CB-O 3.15Å; N657-V720 PolarHBondContact ND2-O 3.48Å; N657-M722 HydrophobicContact CB-CE 4.12Å
658T95.2Very high91.7Very high12 Ų1232.4 Ų32.47%0.07418%0.179CC..EExtended strand (participates in β ladder)trans-134.5148.6-176.346.30000111.4S599 F600 L601 A607 Y664 I665 M722S599-T658 WeakPolarHBondContact CB-OG1 3.49Å; S599-T658 PolarHBondContact OG-OG1 3.13Å; F600-T658 WeakPolarHBondContact O-CB 3.15Å; F600-T658 PolarHBondContact O-OG1 3.02Å; L601-T658 HydrophobicContact CB-CG2 4.19Å; L601-T658 HydrophobicContact CD1-CG2 4.11Å; A607-T658 HydrophobicContact CB-CG2 4.4Å; T658-Y664 CarbonylContact C-O 3.31Å; T658-Y664 WeakPolarHBondContact CA-O 3.35Å; T658-I665 HydrophobicContact CG2-CB 4.48Å; T658-I665 HydrophobicContact CG2-CG1 3.96Å; T658-I665 HydrophobicContact CG2-CG2 4.48Å; T658-M722 VanDerWaalsContact C-CE 3.44Å
659C93.3Very high92.1Very high2 Ų226.5 Ų26.51%0.01415%0.149CC..EExtended strand (participates in β ladder)trans-117.994.2169178.50000108.4G661 R662 A663 Y664 M722 D723 P724C659-G661 VanDerWaalsContact C-N 3.34Å; C659-G661 PolarHBondContact O-N 3.35Å; C659-R662 PolarHBondContact O-N 3.29Å; C659-A663 WeakPolarHBondContact O-CA 3.47Å; C659-A663 PolarHBondContact O-N 3.45Å; C659-Y664 PolarHBondContact N-O 3.39Å; C659-Y664 PolarHBondContact O-N 3.48Å; C659-M722 HydrophobicContact CB-CB 4.21Å; C659-M722 HydrophobicContact CB-CE 4.11Å; C659-M722 HydrophobicContact CB-SD 3.72Å; C659-D723 PolarHBondContact SG-O 2.85Å; C659-P724 PolarHBondContact SG-O 3.35Å; C659-P724 VanDerWaalsContact SG-O 3.32Å
660P89.6Confident92.3Very high76 Ų7628.2 Ų28.249%0.49416%0.158SC..G310 helixtrans-58.6-40-179.5-29.337.8000113.8L601 R662 A663L601-P660 WeakPolarHBondContact O-CA 3.33Å; L601-P660 VanDerWaalsContact O-CB 3.29Å; L601-P660 WeakPolarHBondContact O-CB 3.24Å; P660-R662 PolarHBondContact O-N 3.49Å; P660-A663 PolarHBondContact O-N 3.46Å; P660-A663 VanDerWaalsContact O-N 3.11Å
661G85.8Confident92.6Very high40 Ų4027.5 Ų27.541%0.41215%0.148SC..G310 helixtrans-60.6-30.4-178.500000113.8T357 C659T357-G661 WeakPolarHBondContact CG2-O 3.36Å; C659-G661 VanDerWaalsContact C-N 3.34Å; C659-G661 PolarHBondContact O-N 3.35Å
662R87.8Confident92.7Very high63 Ų6325.8 Ų25.824%0.23814%0.138CC..G310 helixtrans-109.77.6174.7-59.6-54.8-179.8921.4114.6T357 C659 P660 Y664 H678 E725 L726T357-R662 PolarHBondContact OG1-O 3.35Å; C659-R662 PolarHBondContact O-N 3.29Å; P660-R662 PolarHBondContact O-N 3.49Å; R662-Y664 HydrophobicContact CB-CD2 4.09Å; R662-Y664 WeakPolarHBondContact O-CD2 3.49Å; R662-Y664 PolarHBondContact O-N 3.01Å; R662-H678 PolarHBondContact O-CD2 3.37Å; R662-H678 PolarHBondContact O-NE2 2.94Å; R662-E725 VanDerWaalsContact CG-O 3.29Å; R662-E725 WeakPolarHBondContact CG-O 3.22Å; R662-E725 IonicContact CZ-OE2 3.73Å; R662-E725 PolarHBondContact NE-O 3.07Å; R662-E725 IonicContact NE-OE2 2.7Å; R662-E725 PolarHBondContact NE-OE2 3.02Å; R662-E725 PolarHBondContact NH2-O 3.3Å; R662-E725 IonicContact NH2-OE2 3.16Å; R662-E725 PolarHBondContact NH2-OE2 3.24Å; R662-L726 HydrophobicContact CB-CB 4.14Å; R662-L726 HydrophobicContact CB-CD2 4.27Å; R662-L726 HydrophobicContact CG-CB 3.8Å
663A89.6Confident93Very high2 Ų226 Ų262%0.01714%0.136CC..THydrogen-bonded Turntrans48.942.7-176.900000114C354 C659 P660 I679C354-A663 HydrophobicContact CB-CB 3.65Å; C659-A663 WeakPolarHBondContact O-CA 3.47Å; C659-A663 PolarHBondContact O-N 3.45Å; P660-A663 PolarHBondContact O-N 3.46Å; P660-A663 VanDerWaalsContact O-N 3.11Å; A663-I679 HydrophobicContact CB-CB 3.86Å; A663-I679 HydrophobicContact CB-CG2 3.72Å; A663-I679 PolarHBondContact O-N 3.26Å; A663-I679 VanDerWaalsContact O-N 3.16Å
664Y92.6Very high93.3Very high1 Ų121.7 Ų21.70%0.00412%0.119CC..EExtended strand (participates in β ladder)trans-104.4145.4178.7-101.9-96000112.5P359 V360 L601 T658 C659 R662 Y677 H678 L726P359-Y664 VanDerWaalsContact CA-OH 3.31Å; P359-Y664 WeakPolarHBondContact CA-OH 3.26Å; V360-Y664 PolarHBondContact N-OH 3.43Å; V360-Y664 PolarHBondContact O-OH 2.69Å; L601-Y664 VanDerWaalsContact CD1-O 3.26Å; L601-Y664 WeakPolarHBondContact CD1-O 3.45Å; T658-Y664 CarbonylContact C-O 3.31Å; T658-Y664 WeakPolarHBondContact CA-O 3.35Å; C659-Y664 PolarHBondContact N-O 3.39Å; C659-Y664 PolarHBondContact O-N 3.48Å; R662-Y664 HydrophobicContact CB-CD2 4.09Å; R662-Y664 WeakPolarHBondContact O-CD2 3.49Å; R662-Y664 PolarHBondContact O-N 3.01Å; Y664-Y677 CarbonylContact C-O 3.6Å; Y664-Y677 WeakPolarHBondContact CA-O 3.32Å; Y664-H678 HydrophobicContact CD2-CB 4.31Å; Y664-H678 AromaticContact CD2-CD2 3.59Å; Y664-H678 HydrophobicContact CE1-CB 4.38Å; Y664-H678 HydrophobicContact CE2-CB 3.93Å; Y664-H678 AromaticContact CE2-CD2 3.54Å; Y664-H678 AromaticContact CE2-CG 3.98Å; Y664-L726 HydrophobicContact CD1-CD2 3.99Å; Y664-L726 HydrophobicContact CD2-CD2 3.42Å; Y664-L726 VanDerWaalsContact CD2-CD2 3.42Å; Y664-L726 HydrophobicContact CE1-CD2 4.3Å; Y664-L726 HydrophobicContact CE2-CD2 3.79Å; Y664-L726 HydrophobicContact CG-CD2 3.53Å
665I95.5Very high93.4Very high5 Ų523.1 Ų23.13%0.02612%0.124CC..EExtended strand (participates in β ladder)trans-117.4142165.3-57.4144.6000107.5L601 A607 L618 L644 L656 T658 T676 Y677L601-I665 HydrophobicContact CD1-CG1 4.12Å; L601-I665 HydrophobicContact CD2-CD1 4Å; L601-I665 HydrophobicContact CD2-CG1 4.07Å; A607-I665 HydrophobicContact CB-CG2 4.41Å; L618-I665 HydrophobicContact CD1-CD1 3.89Å; L618-I665 HydrophobicContact CD2-CD1 3.65Å; L618-I665 HydrophobicContact CG-CD1 4.37Å; L644-I665 HydrophobicContact CD1-CD1 3.77Å; L656-I665 HydrophobicContact CD1-CG2 4.16Å; L656-I665 HydrophobicContact CD2-CG2 4.42Å; L656-I665 HydrophobicContact CG-CG2 4.29Å; T658-I665 HydrophobicContact CG2-CB 4.48Å; T658-I665 HydrophobicContact CG2-CG1 3.96Å; T658-I665 HydrophobicContact CG2-CG2 4.48Å; I665-T676 WeakPolarHBondContact O-CA 3.43Å; I665-Y677 HydrophobicContact CB-CD2 4.11Å; I665-Y677 HydrophobicContact CG2-CD2 4.15Å; I665-Y677 PolarHBondContact N-O 3.32Å; I665-Y677 PolarHBondContact O-N 3.18Å
666V96.7Very high93.7Very high0 Ų022.9 Ų22.90%012%0.122CC..EExtended strand (participates in β ladder)trans-137.2136.5178.2178.80000110.1N657 I674 W675 T676 V720 M722 L729N657-V666 PolarHBondContact N-O 3.43Å; N657-V666 PolarHBondContact O-N 2.98Å; V666-I674 HydrophobicContact CG1-CG2 3.36Å; V666-W675 WeakPolarHBondContact CA-O 3.3Å; V666-T676 HydrophobicContact CG2-CG2 4.2Å; V666-V720 HydrophobicContact CB-CG2 4.43Å; V666-V720 HydrophobicContact CG1-CB 4.27Å; V666-V720 HydrophobicContact CG1-CG1 4.36Å; V666-V720 HydrophobicContact CG1-CG2 3.98Å; V666-M722 HydrophobicContact CB-CE 3.86Å; V666-M722 HydrophobicContact CB-SD 4.11Å; V666-M722 HydrophobicContact CG2-CE 3.77Å; V666-M722 HydrophobicContact CG2-SD 3.38Å; V666-M722 WeakPolarHBondContact CG2-SD 3.3Å; V666-L729 HydrophobicContact CG1-CD1 3.94Å; V666-L729 HydrophobicContact CG2-CD1 4.04Å
667C96.6Very high93.7Very high0 Ų022.8 Ų22.80%012%0.122CC..EExtended strand (participates in β ladder)trans-140.2137.1170.5-165.70000110.5K609 I616 W675K609-C667 WeakPolarHBondContact CE-SG 3.17Å; I616-C667 HydrophobicContact CD1-CB 4.08Å; C667-W675 PolarHBondContact N-O 3.47Å; C667-W675 WeakPolarHBondContact O-CB 3.44Å; C667-W675 PolarHBondContact O-N 3.34Å
668G96Very high93.4Very high0 Ų021.3 Ų21.30%011%0.114CC..EExtended strand (participates in β ladder)trans-79.3173.6168.900000112.9W646 Q673W646-G668 WeakPolarHBondContact CZ2-O 3.34Å; W646-G668 PolarHBondContact NE1-O 2.94Å; G668-Q673 WeakPolarHBondContact CA-O 3.17Å
669D95.3Very high92.7Very high1 Ų121 Ų211%0.00511%0.112CC..  trans-132.7-172.2168.472.617.9000113.7A647 K671 G672 Q673 W675 I717A647-D669 HydrophobicContact CB-CB 3.61Å; D669-K671 VanDerWaalsContact C-N 3.32Å; D669-K671 WeakPolarHBondContact OD1-CA 3.29Å; D669-K671 PolarHBondContact OD1-N 3.31Å; D669-G672 PolarHBondContact OD1-N 2.91Å; D669-G672 VanDerWaalsContact OD1-N 3.16Å; D669-Q673 PolarHBondContact N-O 2.91Å; D669-Q673 VanDerWaalsContact N-O 3.12Å; D669-Q673 PolarHBondContact OD1-N 3.28Å; D669-Q673 WeakPolarHBondContact OD2-CB 3.42Å; D669-W675 PolarHBondContact OD2-NE1 2.9Å; D669-I717 PolarHBondContact O-N 3.13Å
670D94.4Very high91.9Very high42 Ų4222.6 Ų22.623%0.22512%0.121CC..THydrogen-bonded Turntrans-82.8-1.4-178.363.5-13.8000114.5T649 V651 L654T649-D670 VanDerWaalsContact CB-OD2 3.3Å; T649-D670 WeakPolarHBondContact CB-OD2 3.2Å; T649-D670 PolarHBondContact OG1-OD2 3.44Å; V651-D670 HydrophobicContact CB-CB 4.17Å; V651-D670 HydrophobicContact CG2-CB 3.84Å; L654-D670 HydrophobicContact CD1-CB 4.49Å
671K92.8Very high91Very high121 Ų12120.1 Ų20.153%0.52610%0.104SC..THydrogen-bonded Turntrans-116.55-176-69154.4-163.3155.80113D669 G714D669-K671 VanDerWaalsContact C-N 3.32Å; D669-K671 WeakPolarHBondContact OD1-CA 3.29Å; D669-K671 PolarHBondContact OD1-N 3.31Å; K671-G714 WeakPolarHBondContact O-CA 3.5Å
672G92.9Very high90.1Very high0 Ų019.3 Ų19.30%09%0.09CC..SBendtrans89.63.1179.400000114.3D669 P715D669-G672 PolarHBondContact OD1-N 2.91Å; D669-G672 VanDerWaalsContact OD1-N 3.16Å; G672-P715 WeakPolarHBondContact CA-O 3.26Å; G672-P715 PolarHBondContact N-O 3.02Å
673Q95Very high88.9Confident43 Ų4321.6 Ų21.620%0.20110%0.103CC..  trans-83.9150.9179.6-45.9-169.4-42.500110.9G668 D669 V698 L699 E700G668-Q673 WeakPolarHBondContact CA-O 3.17Å; D669-Q673 PolarHBondContact N-O 2.91Å; D669-Q673 VanDerWaalsContact N-O 3.12Å; D669-Q673 PolarHBondContact OD1-N 3.28Å; D669-Q673 WeakPolarHBondContact OD2-CB 3.42Å; Q673-V698 HydrophobicContact CB-CG1 3.79Å; Q673-V698 HydrophobicContact CG-CG1 4.44Å; Q673-L699 WeakPolarHBondContact CA-O 3.31Å; Q673-E700 PolarHBondContact NE2-OE1 3.31Å; Q673-E700 PolarHBondContact NE2-OE2 3.04Å
674I96.4Very high87.5Confident0 Ų029.1 Ų29.10%014%0.136CC..EExtended strand (participates in β ladder)trans-121.7109.3177.7-56.3178.7000109.2V666 T676 V698 L699 I717 L729 A731 W741V666-I674 HydrophobicContact CG1-CG2 3.36Å; I674-T676 HydrophobicContact CG2-CG2 4.46Å; I674-V698 WeakPolarHBondContact O-CA 3.43Å; I674-L699 HydrophobicContact CB-CB 4.2Å; I674-L699 HydrophobicContact CB-CD1 4.43Å; I674-L699 HydrophobicContact CG2-CD1 4.44Å; I674-L699 PolarHBondContact N-O 3.4Å; I674-L699 PolarHBondContact O-N 3.24Å; I674-I717 HydrophobicContact CG1-CG1 4.4Å; I674-L729 HydrophobicContact CD1-CD2 3.93Å; I674-L729 HydrophobicContact CG2-CD1 4.33Å; I674-L729 HydrophobicContact CG2-CD2 4.43Å; I674-A731 HydrophobicContact CD1-CB 3.59Å; I674-W741 HydrophobicContact CD1-CE3 4.18Å; I674-W741 HydrophobicContact CD1-CH2 3.32Å; I674-W741 HydrophobicContact CD1-CZ2 3.74Å; I674-W741 HydrophobicContact CD1-CZ3 3.56Å
675W96.5Very high85.7Confident30 Ų3031.5 Ų31.511%0.11415%0.148CC..EExtended strand (participates in β ladder)trans-86.2119.5-176.5-63.166.1000109.6W646 A647 V666 C667 D669 Y677 P695 V698W646-W675 AromaticContact CD1-CD1 3.93Å; W646-W675 AromaticContact CD1-CG 3.74Å; A647-W675 HydrophobicContact CB-CZ2 4.31Å; V666-W675 WeakPolarHBondContact CA-O 3.3Å; C667-W675 PolarHBondContact N-O 3.47Å; C667-W675 WeakPolarHBondContact O-CB 3.44Å; C667-W675 PolarHBondContact O-N 3.34Å; D669-W675 PolarHBondContact OD2-NE1 2.9Å; W675-Y677 HydrophobicContact CB-CE2 3.97Å; W675-Y677 WeakPolarHBondContact CB-OH 3.16Å; W675-Y677 WeakPolarHBondContact O-CE2 3.31Å; W675-P695 HydrophobicContact CE3-CB 4.15Å; W675-P695 HydrophobicContact CE3-CG 3.77Å; W675-P695 HydrophobicContact CZ3-CG 3.88Å; W675-V698 HydrophobicContact CD2-CG2 4.02Å; W675-V698 HydrophobicContact CE3-CG2 3.98Å; W675-V698 HydrophobicContact CG-CG2 4.46Å; W675-V698 HydrophobicContact CZ3-CG2 4.31Å
676T95.3Very high83.6Confident0 Ų034 Ų340%017%0.167CC..EExtended strand (participates in β ladder)trans-115.1145.1-178.177.90000111.7I665 V666 I674 P695 T696 E697 L699I665-T676 WeakPolarHBondContact O-CA 3.43Å; V666-T676 HydrophobicContact CG2-CG2 4.2Å; I674-T676 HydrophobicContact CG2-CG2 4.46Å; T676-P695 CarbonylContact O-C 3.59Å; T676-P695 WeakPolarHBondContact O-CA 3.4Å; T676-T696 PolarHBondContact O-N 2.92Å; T676-E697 WeakPolarHBondContact CB-O 3.23Å; T676-E697 PolarHBondContact N-O 3.43Å; T676-E697 PolarHBondContact OG1-N 3.35Å; T676-E697 PolarHBondContact OG1-O 3.2Å; T676-L699 HydrophobicContact CG2-CD1 4.14Å; T676-L699 HydrophobicContact CG2-CG 4.28Å
677Y93.6Very high81.3Confident5 Ų536.8 Ų36.82%0.0220%0.195CC..EExtended strand (participates in β ladder)trans-140.3119-179.2-40.9-100.9000110.1I616 L644 Q645 Y664 I665 W675 P695I616-Y677 HydrophobicContact CD1-CD2 4.47Å; I616-Y677 HydrophobicContact CD1-CE2 3.63Å; L644-Y677 HydrophobicContact CB-CD1 3.88Å; L644-Y677 HydrophobicContact CB-CE1 3.75Å; L644-Y677 HydrophobicContact CD1-CD1 3.87Å; L644-Y677 HydrophobicContact CD1-CD2 4.14Å; L644-Y677 HydrophobicContact CD1-CE1 4.37Å; L644-Y677 HydrophobicContact CD1-CG 3.76Å; L644-Y677 HydrophobicContact CG-CD1 4.34Å; Q645-Y677 WeakPolarHBondContact O-CE1 3.45Å; Q645-Y677 PolarHBondContact O-OH 2.88Å; Y664-Y677 CarbonylContact C-O 3.6Å; Y664-Y677 WeakPolarHBondContact CA-O 3.32Å; I665-Y677 HydrophobicContact CB-CD2 4.11Å; I665-Y677 HydrophobicContact CG2-CD2 4.15Å; I665-Y677 PolarHBondContact N-O 3.32Å; I665-Y677 PolarHBondContact O-N 3.18Å; W675-Y677 HydrophobicContact CB-CE2 3.97Å; W675-Y677 WeakPolarHBondContact CB-OH 3.16Å; W675-Y677 WeakPolarHBondContact O-CE2 3.31Å; Y677-P695 HydrophobicContact CD1-CB 4.28Å; Y677-P695 HydrophobicContact CE1-CB 3.98Å
678H90.8Very high79Confident4 Ų442 Ų422%0.01922%0.22CC..EExtended strand (participates in β ladder)trans-96.9141.9171-175.1-112.4000110.7T357 P359 R662 Y664 T680 N681 T696T357-H678 PolarHBondContact O-CE1 2.87Å; T357-H678 PolarHBondContact OG1-NE2 3.48Å; P359-H678 HydrophobicContact CG-CB 4.26Å; R662-H678 PolarHBondContact O-CD2 3.37Å; R662-H678 PolarHBondContact O-NE2 2.94Å; Y664-H678 HydrophobicContact CD2-CB 4.31Å; Y664-H678 AromaticContact CD2-CD2 3.59Å; Y664-H678 HydrophobicContact CE1-CB 4.38Å; Y664-H678 HydrophobicContact CE2-CB 3.93Å; Y664-H678 AromaticContact CE2-CD2 3.54Å; Y664-H678 AromaticContact CE2-CG 3.98Å; H678-T680 PolarHBondContact ND1-OG1 3.09Å; H678-T680 PolarHBondContact O-N 2.84Å; H678-N681 PolarHBondContact O-N 3.18Å; H678-T696 HydrophobicContact CB-CG2 4.17Å; H678-T696 PolarHBondContact N-OG1 3.48Å
679I81Confident76.6Confident7 Ų751.8 Ų51.84%0.03626%0.256CS..THydrogen-bonded Turntrans-48.3-29.6-177.4-16186.4000114.6I350 C354 L601 A663 N681 L682I350-I679 HydrophobicContact CG2-CD1 3.85Å; C354-I679 HydrophobicContact CB-CB 4.38Å; C354-I679 HydrophobicContact CB-CG1 4.16Å; C354-I679 HydrophobicContact CB-CG2 3.73Å; L601-I679 HydrophobicContact CD2-CD1 3.84Å; A663-I679 HydrophobicContact CB-CB 3.86Å; A663-I679 HydrophobicContact CB-CG2 3.72Å; A663-I679 PolarHBondContact O-N 3.26Å; A663-I679 VanDerWaalsContact O-N 3.16Å; I679-N681 PolarHBondContact O-N 3.43Å; I679-L682 HydrophobicContact CD1-CD1 3.51Å; I679-L682 HydrophobicContact CG1-CD1 3.95Å; I679-L682 VanDerWaalsContact O-CB 3.25Å; I679-L682 WeakPolarHBondContact O-CB 3.39Å; I679-L682 PolarHBondContact O-N 3.29Å
680T74.9Confident74.8Confident34 Ų3455.4 Ų55.421%0.20929%0.294CS..Hα-helixtrans-63.6-22.4179.950.90000114.2H678 L682 Q683H678-T680 PolarHBondContact ND1-OG1 3.09Å; H678-T680 PolarHBondContact O-N 2.84Å; T680-L682 VanDerWaalsContact C-N 3.26Å; T680-L682 PolarHBondContact O-N 3.24Å; T680-Q683 WeakPolarHBondContact O-CB 3.46Å; T680-Q683 PolarHBondContact O-N 3.03Å
681N71.4Confident73.8Confident24 Ų2459.3 Ų59.313%0.12831%0.311CS..Hα-helixtrans-70-25.1175-77.610.6000111.9H678 I679 Q683 K684 N685 I693 P694 T696H678-N681 PolarHBondContact O-N 3.18Å; I679-N681 PolarHBondContact O-N 3.43Å; N681-Q683 VanDerWaalsContact C-N 3.28Å; N681-Q683 PolarHBondContact O-N 3.32Å; N681-K684 PolarHBondContact O-N 3.43Å; N681-N685 PolarHBondContact O-N 3.31Å; N681-I693 HydrophobicContact CB-CG2 3.93Å; N681-P694 PolarHBondContact ND2-O 2.82Å; N681-T696 WeakPolarHBondContact ND2-CA 3.29Å; N681-T696 PolarHBondContact ND2-OG1 3.04Å
682L67.7Low73.4Confident23 Ų2356 Ų5612%0.1230%0.301CS..Hα-helixtrans-64.8-33.4171-62.6158.9000112L618 A642 L644 I679 T680 S686 I693L618-L682 HydrophobicContact CD1-CD1 3.93Å; L618-L682 HydrophobicContact CD1-CD2 3.94Å; L618-L682 HydrophobicContact CD1-CG 4.48Å; A642-L682 HydrophobicContact CB-CD2 3.22Å; L644-L682 HydrophobicContact CD2-CD2 4.36Å; I679-L682 HydrophobicContact CD1-CD1 3.51Å; I679-L682 HydrophobicContact CG1-CD1 3.95Å; I679-L682 VanDerWaalsContact O-CB 3.25Å; I679-L682 WeakPolarHBondContact O-CB 3.39Å; I679-L682 PolarHBondContact O-N 3.29Å; T680-L682 VanDerWaalsContact C-N 3.26Å; T680-L682 PolarHBondContact O-N 3.24Å; L682-S686 WeakPolarHBondContact O-CB 3.2Å; L682-S686 PolarHBondContact O-N 2.84Å; L682-I693 HydrophobicContact CD2-CD1 3.59Å; L682-I693 HydrophobicContact CG-CD1 4.45Å
683Q61.8Low73.3Confident111 Ų11156.6 Ų56.652%0.51930%0.304SS..Hα-helixtrans-71.8-32.4-179.2-168.6178.61.400112.7I351 T680 N681I351-Q683 HydrophobicContact CD1-CB 3.86Å; I351-Q683 HydrophobicContact CD1-CG 4.15Å; I351-Q683 HydrophobicContact CG2-CB 4.48Å; I351-Q683 HydrophobicContact CG2-CG 4.31Å; T680-Q683 WeakPolarHBondContact O-CB 3.46Å; T680-Q683 PolarHBondContact O-N 3.03Å; N681-Q683 VanDerWaalsContact C-N 3.28Å; N681-Q683 PolarHBondContact O-N 3.32Å
684K59.9Low73.1Confident161 Ų16157.2 Ų57.270%0.731%0.312SS*.Hα-helixtrans-74.3-40.6179.5-67.6180179.3175.80112N681N681-K684 PolarHBondContact O-N 3.43Å
685N55.1Low72.9Confident50 Ų5058.6 Ų58.627%0.26732%0.32SS..Hα-helixtrans-100.43.4-167.7-67.530.1000114.1N681 G687 Q688 I693N681-N685 PolarHBondContact O-N 3.31Å; N685-G687 PolarHBondContact O-N 3.19Å; N685-Q688 PolarHBondContact O-N 3.01Å; N685-I693 HydrophobicContact CB-CD1 4.25Å; N685-I693 HydrophobicContact CB-CG1 4.02Å
686S51.8Low72.7Confident59 Ų5959.1 Ų59.141%0.41333%0.327SS..THydrogen-bonded Turntrans-63.8-5.1-176.863.30000115.6L682L682-S686 WeakPolarHBondContact O-CB 3.2Å; L682-S686 PolarHBondContact O-N 2.84Å
687G48.8Very low72.6Confident58 Ų5862.4 Ų62.460%0.59834%0.342SS*.THydrogen-bonded Turntrans-86.7-25.217600000115.1N685N685-G687 PolarHBondContact O-N 3.19Å
688Q48.3Very low72.6Confident110 Ų11064.2 Ų64.251%0.51435%0.354SS..  trans-95.6137.6-172.3-81.3154.9-80.800112.1N685 E691N685-Q688 PolarHBondContact O-N 3.01Å; Q688-E691 VanDerWaalsContact CB-OE2 3.27Å; Q688-E691 WeakPolarHBondContact CB-OE2 3.36Å; Q688-E691 VanDerWaalsContact CG-OE2 3.32Å; Q688-E691 WeakPolarHBondContact CG-OE2 3.33Å; Q688-E691 PolarHBondContact NE2-OE2 3.23Å
689R44.9Very low72.8Confident204 Ų20464.5 Ų64.577%0.7736%0.356SS*.SBendtrans-108.698.4-171.7-172.6-171.2-173.6-159.13.3111
690G58.7Low73.3Confident77 Ų7770 Ų7079%0.79438%0.381SS*.SBendtrans106.21.3172.800000114.9
691E71.6Confident74Confident125 Ų12569.7 Ų69.758%0.58438%0.376SS*.PPolyproline II helixtrans-88.9138.1168-69.3168.814700109.5Q688Q688-E691 VanDerWaalsContact CB-OE2 3.27Å; Q688-E691 WeakPolarHBondContact CB-OE2 3.36Å; Q688-E691 VanDerWaalsContact CG-OE2 3.32Å; Q688-E691 WeakPolarHBondContact CG-OE2 3.33Å; Q688-E691 PolarHBondContact NE2-OE2 3.23Å
692T85.4Confident74.7Confident50 Ų5069.7 Ų69.731%0.30738%0.377SS..PPolyproline II helixtrans-77.1148.7177.449.40000110.6S615 E643S615-T692 WeakPolarHBondContact OG-CG2 3.19Å; E643-T692 HydrophobicContact CG-CG2 4.06Å; E643-T692 WeakPolarHBondContact OE1-CG2 3.35Å
693I89.6Confident75.4Confident14 Ų1473.5 Ų73.57%0.07240%0.402CS..BIsolated β-bridgetrans-86.6124.3-178.4-58.6-180000108.8A642 E643 L644 Q645 N681 L682 N685A642-I693 HydrophobicContact CB-CD1 3.92Å; E643-I693 PolarHBondContact O-N 3.33Å; L644-I693 WeakPolarHBondContact CA-O 3.44Å; L644-I693 HydrophobicContact CD2-CB 3.93Å; L644-I693 HydrophobicContact CD2-CD1 4.34Å; L644-I693 HydrophobicContact CD2-CG2 4.34Å; Q645-I693 PolarHBondContact N-O 3.31Å; N681-I693 HydrophobicContact CB-CG2 3.93Å; L682-I693 HydrophobicContact CD2-CD1 3.59Å; L682-I693 HydrophobicContact CG-CD1 4.45Å; N685-I693 HydrophobicContact CB-CD1 4.25Å; N685-I693 HydrophobicContact CB-CG1 4.02Å
694P91.5Very high76.3Confident56 Ų5670 Ų7036%0.36439%0.386SS..PPolyproline II helixtrans-69.2157.3-179.329.1-35.4000111.8N681N681-P694 PolarHBondContact ND2-O 2.82Å
695P92.8Very high77.1Confident28 Ų2868.4 Ų68.418%0.18238%0.383CS..PPolyproline II helixtrans-54.3153.817224.2-34.9000112.3W675 T676 Y677 V698W675-P695 HydrophobicContact CE3-CB 4.15Å; W675-P695 HydrophobicContact CE3-CG 3.77Å; W675-P695 HydrophobicContact CZ3-CG 3.88Å; T676-P695 CarbonylContact O-C 3.59Å; T676-P695 WeakPolarHBondContact O-CA 3.4Å; Y677-P695 HydrophobicContact CD1-CB 4.28Å; Y677-P695 HydrophobicContact CE1-CB 3.98Å; P695-V698 HydrophobicContact CB-CG2 3.8Å; P695-V698 HydrophobicContact CG-CG2 3.46Å; P695-V698 VanDerWaalsContact CG-CG2 3.46Å
696T91.8Very high77.9Confident41 Ų4170.5 Ų70.525%0.25239%0.387SS..SBendtrans-75.1-40.7169.7-60.10000110.6P359 T676 H678 N681P359-T696 HydrophobicContact CB-CG2 4.1Å; P359-T696 HydrophobicContact CG-CG2 4.26Å; T676-T696 PolarHBondContact O-N 2.92Å; H678-T696 HydrophobicContact CB-CG2 4.17Å; H678-T696 PolarHBondContact N-OG1 3.48Å; N681-T696 WeakPolarHBondContact ND2-CA 3.29Å; N681-T696 PolarHBondContact ND2-OG1 3.04Å
697E92.5Very high78.5Confident70 Ų7077.1 Ų77.133%0.32741%0.409SS..EExtended strand (participates in β ladder)trans-154.4140.4173.5-175.1171-149.200108T676 L699T676-E697 WeakPolarHBondContact CB-O 3.23Å; T676-E697 PolarHBondContact N-O 3.43Å; T676-E697 PolarHBondContact OG1-N 3.35Å; T676-E697 PolarHBondContact OG1-O 3.2Å; E697-L699 HydrophobicContact CG-CD2 3.83Å
698V94.6Very high79.2Confident43 Ų4378.6 Ų78.626%0.26142%0.423SS..EExtended strand (participates in β ladder)trans-107.8113.3167.2-179.10000106.4Q673 I674 W675 P695 E700Q673-V698 HydrophobicContact CB-CG1 3.79Å; Q673-V698 HydrophobicContact CG-CG1 4.44Å; I674-V698 WeakPolarHBondContact O-CA 3.43Å; W675-V698 HydrophobicContact CD2-CG2 4.02Å; W675-V698 HydrophobicContact CE3-CG2 3.98Å; W675-V698 HydrophobicContact CG-CG2 4.46Å; W675-V698 HydrophobicContact CZ3-CG2 4.31Å; P695-V698 HydrophobicContact CB-CG2 3.8Å; P695-V698 HydrophobicContact CG-CG2 3.46Å; P695-V698 VanDerWaalsContact CG-CG2 3.46Å; V698-E700 PolarHBondContact O-N 2.83Å
699L94.5Very high79.9Confident10 Ų1079.4 Ų79.45%0.05243%0.431CS..EExtended strand (participates in β ladder)trans-81.2115.4178.4-52.4170.5000108L362 Q673 I674 T676 E697 L729 W741L362-L699 HydrophobicContact CB-CD1 3.98Å; L362-L699 HydrophobicContact CB-CD2 4.16Å; L362-L699 HydrophobicContact CD1-CD1 4.11Å; Q673-L699 WeakPolarHBondContact CA-O 3.31Å; I674-L699 HydrophobicContact CB-CB 4.2Å; I674-L699 HydrophobicContact CB-CD1 4.43Å; I674-L699 HydrophobicContact CG2-CD1 4.44Å; I674-L699 PolarHBondContact N-O 3.4Å; I674-L699 PolarHBondContact O-N 3.24Å; T676-L699 HydrophobicContact CG2-CD1 4.14Å; T676-L699 HydrophobicContact CG2-CG 4.28Å; E697-L699 HydrophobicContact CG-CD2 3.83Å; L699-L729 HydrophobicContact CD1-CD1 4.37Å; L699-W741 HydrophobicContact CD1-CG 4.41Å
700E91.7Very high81.4Confident122 Ų12271.2 Ų71.257%0.5741%0.41SS*.PPolyproline II helixtrans-69.4153.3176.5-69.5-66175.500112.1Q673 V698Q673-E700 PolarHBondContact NE2-OE1 3.31Å; Q673-E700 PolarHBondContact NE2-OE2 3.04Å; V698-E700 PolarHBondContact O-N 2.83Å
701W89.8Confident82.2Confident27 Ų2773.3 Ų73.310%0.10240%0.399CS..PPolyproline II helixtrans-65.9126.5177.6-178.3-108.2000111.1L704 I712 P715 I717 T733 L737 V739W701-L704 HydrophobicContact CH2-CD1 4.31Å; W701-L704 HydrophobicContact CZ2-CD1 3.7Å; W701-I712 PolarHBondContact NE1-O 3.37Å; W701-P715 HydrophobicContact CD2-CG 4.26Å; W701-P715 HydrophobicContact CE3-CG 4.18Å; W701-P715 HydrophobicContact CH2-CG 3.43Å; W701-P715 VanDerWaalsContact CH2-CG 3.43Å; W701-P715 VanDerWaalsContact CZ2-CD 3.42Å; W701-P715 HydrophobicContact CZ2-CG 3.48Å; W701-P715 VanDerWaalsContact CZ2-CG 3.48Å; W701-P715 HydrophobicContact CZ3-CG 3.79Å; W701-I717 HydrophobicContact CE3-CD1 4.04Å; W701-I717 HydrophobicContact CZ3-CD1 3.81Å; W701-T733 HydrophobicContact CH2-CG2 3.78Å; W701-T733 HydrophobicContact CZ3-CG2 3.93Å; W701-L737 HydrophobicContact CH2-CB 4.44Å; W701-L737 HydrophobicContact CH2-CD1 4.23Å; W701-L737 HydrophobicContact CZ2-CD1 3.85Å; W701-V739 HydrophobicContact CH2-CG2 3.5Å; W701-V739 VanDerWaalsContact CH2-CG2 3.5Å; W701-V739 HydrophobicContact CZ2-CG2 4.41Å; W701-V739 HydrophobicContact CZ3-CG2 3.82Å
702P86.4Confident82.5Confident24 Ų2468.2 Ų68.216%0.15638%0.376CS..PPolyproline II helixtrans-65.3147-178.425-33.6000112.5P364 L704 V739P364-P702 HydrophobicContact CB-CB 4.35Å; P364-P702 HydrophobicContact CG-CB 4.28Å; P702-L704 VanDerWaalsContact C-N 3.28Å; P702-L704 HydrophobicContact CG-CD1 4.45Å; P702-L704 HydrophobicContact CG-CG 4.24Å; P702-L704 PolarHBondContact O-N 3.46Å; P702-V739 HydrophobicContact CG-CG1 4.05Å
703T82.1Confident82.2Confident104 Ų10473.2 Ų73.264%0.63840%0.396SS*.  trans-69.577.8178.8-47.50000111.8Q711T703-Q711 HydrophobicContact CG2-CG 4.33Å
704L81.2Confident81.8Confident36 Ų3673.9 Ų73.919%0.18841%0.406CS..PPolyproline II helixtrans-86.1128.2178.8-62-179.8000111.3A367 W701 P702 I712 L737 V739A367-L704 HydrophobicContact CB-CD1 3.77Å; A367-L704 HydrophobicContact CB-CD2 3.66Å; A367-L704 HydrophobicContact CB-CG 4.4Å; W701-L704 HydrophobicContact CH2-CD1 4.31Å; W701-L704 HydrophobicContact CZ2-CD1 3.7Å; P702-L704 VanDerWaalsContact C-N 3.28Å; P702-L704 HydrophobicContact CG-CD1 4.45Å; P702-L704 HydrophobicContact CG-CG 4.24Å; P702-L704 PolarHBondContact O-N 3.46Å; L704-I712 HydrophobicContact CB-CB 4.49Å; L704-I712 HydrophobicContact CB-CD1 4.29Å; L704-I712 PolarHBondContact O-N 3.31Å; L704-L737 HydrophobicContact CD1-CD1 3.95Å; L704-V739 HydrophobicContact CD1-CG2 4.34Å
705M75.5Confident81.7Confident129 Ų12971.2 Ų71.264%0.63539%0.389SS*.EExtended strand (participates in β ladder)trans-102.2123.1-179.8-64.8-62.9-70.900111.1Q711M705-Q711 HydrophobicContact SD-CB 3.93Å
706R72.1Confident81.9Confident93 Ų9370.6 Ų70.635%0.35139%0.385SS..EExtended strand (participates in β ladder)trans-78.2132168.3-173-171-84.9169.7-4109.1F380 G708 L709 G710 I712F380-R706 HydrophobicContact CE2-CG 4.3Å; F380-R706 HydrophobicContact CZ-CG 4.27Å; R706-G708 PolarHBondContact O-N 3.37Å; R706-G708 VanDerWaalsContact O-N 3.14Å; R706-L709 HydrophobicContact CB-CB 4.23Å; R706-L709 HydrophobicContact CG-CB 4.01Å; R706-L709 PolarHBondContact O-N 2.84Å; R706-L709 VanDerWaalsContact O-N 3.14Å; R706-G710 PolarHBondContact N-O 3.34Å; R706-G710 PolarHBondContact O-N 2.84Å; R706-I712 HydrophobicContact CB-CD1 4.21Å; R706-I712 HydrophobicContact CB-CG1 4.02Å
707K65.8Low82.1Confident199 Ų19968.6 Ų68.687%0.86537%0.373SS*.THydrogen-bonded Turntrans-51.4120.6175-70.5-177.2177.11790110.6L709K707-L709 PolarHBondContact O-N 3.4Å
708G61.7Low82.3Confident88 Ų8865.5 Ų65.591%0.90736%0.358SS*.THydrogen-bonded Turntrans69.41.8176.500000116.9R706R706-G708 PolarHBondContact O-N 3.37Å; R706-G708 VanDerWaalsContact O-N 3.14Å
709L64.8Low82.4Confident127 Ų12763.9 Ų63.967%0.66535%0.349SS*.THydrogen-bonded Turntrans-136.713.7-167.5-84.4165.6000114.8R706 K707R706-L709 HydrophobicContact CB-CB 4.23Å; R706-L709 HydrophobicContact CG-CB 4.01Å; R706-L709 PolarHBondContact O-N 2.84Å; R706-L709 VanDerWaalsContact O-N 3.14Å; K707-L709 PolarHBondContact O-N 3.4Å
710G75Confident82.5Confident33 Ų3363.4 Ų63.434%0.3435%0.346SS..EExtended strand (participates in β ladder)trans86-164.9171.300000115.1R706R706-G710 PolarHBondContact N-O 3.34Å; R706-G710 PolarHBondContact O-N 2.84Å
711Q76.8Confident82.8Confident120 Ų12057.7 Ų57.756%0.56132%0.32SS*.EExtended strand (participates in β ladder)trans-75.3143.1-179.8-176.3176.2-15.400111.3T703 M705T703-Q711 HydrophobicContact CG2-CG 4.33Å; M705-Q711 HydrophobicContact SD-CB 3.93Å
712I77.4Confident83Confident18 Ų1857.3 Ų57.39%0.09232%0.319CS..  trans-87.2109.5173.6-58.2173.1000108.5F380 W701 L704 R706 K735 L737F380-I712 HydrophobicContact CE1-CD1 3.68Å; F380-I712 HydrophobicContact CZ-CD1 4.18Å; W701-I712 PolarHBondContact NE1-O 3.37Å; L704-I712 HydrophobicContact CB-CB 4.49Å; L704-I712 HydrophobicContact CB-CD1 4.29Å; L704-I712 PolarHBondContact O-N 3.31Å; R706-I712 HydrophobicContact CB-CD1 4.21Å; R706-I712 HydrophobicContact CB-CG1 4.02Å; I712-K735 HydrophobicContact CG2-CD 4.45Å; I712-L737 HydrophobicContact CD1-CD1 4.23Å; I712-L737 HydrophobicContact CG2-CD1 4.36Å
713E79.4Confident83.3Confident156 Ų15656.3 Ų56.373%0.72931%0.313SS*.  trans-55.4148.5170.1-64.7179.115000111.6K735E713-K735 PolarHBondContact O-NZ 3.01Å
714G79.6Confident83.6Confident27 Ų2754.1 Ų54.128%0.27830%0.301SS..  trans-42.5121177.300000113.3K671 K735K671-G714 WeakPolarHBondContact O-CA 3.5Å; G714-K735 PolarHBondContact O-NZ 3.34Å
715P91.3Very high83.9Confident1 Ų156 Ų561%0.00631%0.308CS..  trans-88.4163.1173.434.4-33.4000111.7G672 W701 I717 T733 D734 K735G672-P715 WeakPolarHBondContact CA-O 3.26Å; G672-P715 PolarHBondContact N-O 3.02Å; W701-P715 HydrophobicContact CD2-CG 4.26Å; W701-P715 HydrophobicContact CE3-CG 4.18Å; W701-P715 HydrophobicContact CH2-CG 3.43Å; W701-P715 VanDerWaalsContact CH2-CG 3.43Å; W701-P715 VanDerWaalsContact CZ2-CD 3.42Å; W701-P715 HydrophobicContact CZ2-CG 3.48Å; W701-P715 VanDerWaalsContact CZ2-CG 3.48Å; W701-P715 HydrophobicContact CZ3-CG 3.79Å; P715-I717 PolarHBondContact O-N 2.81Å; P715-T733 HydrophobicContact CB-CG2 4.18Å; P715-T733 HydrophobicContact CG-CG2 3.53Å; P715-D734 WeakPolarHBondContact CB-OD1 3.46Å; P715-K735 HydrophobicContact CB-CB 4.06Å; P715-K735 HydrophobicContact CB-CD 3.78Å; P715-K735 HydrophobicContact CB-CG 3.82Å
716S95.1Very high84.7Confident14 Ų1449.9 Ų49.910%0.09828%0.278CS..  trans-66126170.9-42.90000109.5N718 T733 D734S716-N718 VanDerWaalsContact C-N 3.32Å; S716-N718 PolarHBondContact O-N 2.88Å; S716-T733 VanDerWaalsContact O-CA 3.26Å; S716-T733 WeakPolarHBondContact O-CA 3.44Å; S716-D734 WeakPolarHBondContact CB-OD2 3.41Å; S716-D734 PolarHBondContact N-OD1 3.25Å; S716-D734 PolarHBondContact N-OD2 2.94Å; S716-D734 PolarHBondContact O-N 2.91Å; S716-D734 VanDerWaalsContact O-N 3.15Å; S716-D734 PolarHBondContact OG-OD2 3.26Å
717I96.8Very high85.6Confident0 Ų048.4 Ų48.40%028%0.275CS..  trans-80.980.9174.5-53-55.4000109D669 I674 W701 P715 S719 V720 A731 L732 T733D669-I717 PolarHBondContact O-N 3.13Å; I674-I717 HydrophobicContact CG1-CG1 4.4Å; W701-I717 HydrophobicContact CE3-CD1 4.04Å; W701-I717 HydrophobicContact CZ3-CD1 3.81Å; P715-I717 PolarHBondContact O-N 2.81Å; I717-S719 VanDerWaalsContact C-N 3.27Å; I717-S719 PolarHBondContact O-N 3.46Å; I717-V720 HydrophobicContact CG2-CG1 3.67Å; I717-A731 HydrophobicContact CG2-CB 4.05Å; I717-L732 CarbonylContact C-O 3.58Å; I717-L732 WeakPolarHBondContact CA-O 3.49Å; I717-T733 HydrophobicContact CD1-CG2 3.89Å
718N96.4Very high87Confident4 Ų440 Ų402%0.02124%0.238CC..  trans-54.2-39.3179.6-73.8-22.4000112.8R275 L384 S655 S716 L732 D734R275-N718 PolarHBondContact NH2-OD1 3.29Å; L384-N718 WeakPolarHBondContact O-CB 3.36Å; L384-N718 PolarHBondContact O-ND2 3.19Å; S655-N718 PolarHBondContact N-O 3.41Å; S716-N718 VanDerWaalsContact C-N 3.32Å; S716-N718 PolarHBondContact O-N 2.88Å; N718-L732 PolarHBondContact N-O 2.96Å; N718-D734 PolarHBondContact ND2-N 3.23Å
719S96.7Very high88.7Confident9 Ų935.9 Ų35.96%0.06320%0.195CC..EExtended strand (participates in β ladder)trans-152.9154.2-178.7-174.90000114.4W385 S655 I717 A731 L732W385-S719 VanDerWaalsContact O-CB 3.3Å; W385-S719 WeakPolarHBondContact O-CB 3.41Å; S655-S719 WeakPolarHBondContact OG-CA 3.39Å; S655-S719 WeakPolarHBondContact OG-CB 3.38Å; S655-S719 PolarHBondContact OG-OG 2.85Å; I717-S719 VanDerWaalsContact C-N 3.27Å; I717-S719 PolarHBondContact O-N 3.46Å; S719-A731 CarbonylContact O-C 3.6Å; S719-A731 WeakPolarHBondContact O-CA 3.43Å; S719-L732 PolarHBondContact N-O 3.2Å; S719-L732 PolarHBondContact O-N 3.15Å
720V97.4Very high90.2Very high0 Ų029.8 Ų29.80%016%0.164CC..EExtended strand (participates in β ladder)trans-135.3146.9176.8-66.80000111.6C387 S655 N657 V666 I717 V730 A731C387-V720 VanDerWaalsContact SG-C 3.59Å; S655-V720 PolarHBondContact OG-N 2.9Å; N657-V720 HydrophobicContact CB-CG2 3.96Å; N657-V720 WeakPolarHBondContact CB-O 3.15Å; N657-V720 PolarHBondContact ND2-O 3.48Å; V666-V720 HydrophobicContact CB-CG2 4.43Å; V666-V720 HydrophobicContact CG1-CB 4.27Å; V666-V720 HydrophobicContact CG1-CG1 4.36Å; V666-V720 HydrophobicContact CG1-CG2 3.98Å; I717-V720 HydrophobicContact CG2-CG1 3.67Å; V720-V730 CarbonylContact C-O 3.58Å; V720-V730 VanDerWaalsContact CA-O 3.28Å; V720-V730 WeakPolarHBondContact CA-O 3.24Å; V720-A731 HydrophobicContact CG1-CB 4.11Å
721A96.6Very high91.3Very high3 Ų328.2 Ų28.23%0.02515%0.147CC..EExtended strand (participates in β ladder)trans-142.2157.8171.100000111.6C387 F389 V730C387-A721 HydrophobicContact CB-CB 4.21Å; C387-A721 WeakPolarHBondContact SG-CB 3.49Å; F389-A721 HydrophobicContact CD2-CB 4.09Å; F389-A721 HydrophobicContact CE2-CB 4.17Å; A721-V730 PolarHBondContact N-O 2.86Å; A721-V730 PolarHBondContact O-N 2.87Å
722M95.2Very high92.3Very high18 Ų1822.5 Ų22.59%0.08912%0.121CC..EExtended strand (participates in β ladder)trans-135.2150.9177-63.9160.7-79.500108.3F389 N657 T658 C659 V666 L726 Y728 L729F389-M722 VanDerWaalsContact CD2-O 3.27Å; F389-M722 WeakPolarHBondContact CD2-O 3.47Å; N657-M722 HydrophobicContact CB-CE 4.12Å; T658-M722 VanDerWaalsContact C-CE 3.44Å; C659-M722 HydrophobicContact CB-CB 4.21Å; C659-M722 HydrophobicContact CB-CE 4.11Å; C659-M722 HydrophobicContact CB-SD 3.72Å; V666-M722 HydrophobicContact CB-CE 3.86Å; V666-M722 HydrophobicContact CB-SD 4.11Å; V666-M722 HydrophobicContact CG2-CE 3.77Å; V666-M722 HydrophobicContact CG2-SD 3.38Å; V666-M722 WeakPolarHBondContact CG2-SD 3.3Å; M722-L726 HydrophobicContact CB-CD1 3.89Å; M722-L726 HydrophobicContact CG-CD1 3.5Å; M722-L726 VanDerWaalsContact CG-CD1 3.5Å; M722-L726 HydrophobicContact SD-CD1 3.59Å; M722-L726 VanDerWaalsContact SD-CD1 3.59Å; M722-Y728 WeakPolarHBondContact CA-O 3.43Å; M722-L729 HydrophobicContact CG-CB 4.32Å; M722-L729 HydrophobicContact CG-CD1 4.39Å; M722-L729 HydrophobicContact CG-CG 4.16Å
723D92.9Very high93.2Very high3 Ų321.7 Ų21.72%0.01612%0.116CC..  trans-75.4166.916681.2-82.2000110.6F389 C659 E725 L726 H727 Y728F389-D723 HydrophobicContact CD1-CB 3.86Å; F389-D723 HydrophobicContact CD2-CB 4.38Å; F389-D723 HydrophobicContact CE1-CB 4.02Å; F389-D723 HydrophobicContact CG-CB 4.02Å; F389-D723 HydrophobicContact CZ-CB 4.35Å; C659-D723 PolarHBondContact SG-O 2.85Å; D723-E725 PolarHBondContact O-N 3.11Å; D723-E725 VanDerWaalsContact O-N 3.11Å; D723-E725 PolarHBondContact OD2-N 3.05Å; D723-L726 PolarHBondContact O-N 2.8Å; D723-H727 WeakPolarHBondContact OD1-CA 3.27Å; D723-H727 WeakPolarHBondContact OD1-CB 3.49Å; D723-H727 PolarHBondContact OD1-N 3.48Å; D723-H727 IonicContact OD2-CD2 2.78Å; D723-Y728 PolarHBondContact N-O 3.4Å; D723-Y728 PolarHBondContact OD1-N 3.3Å
724P88.4Confident93.9Very high59 Ų5915.7 Ų15.738%0.3839%0.089SC..THydrogen-bonded Turntrans-58.5-25.1-175.1-26.536.3000115.6C659C659-P724 PolarHBondContact SG-O 3.35Å; C659-P724 VanDerWaalsContact SG-O 3.32Å
725E87.6Confident94.6Very high74 Ų7417 Ų1735%0.3469%0.088SC..THydrogen-bonded Turntrans-106.63.9-177.3-74.1-62.4145.600113.7R662 D723 H727R662-E725 VanDerWaalsContact CG-O 3.29Å; R662-E725 WeakPolarHBondContact CG-O 3.22Å; R662-E725 IonicContact CZ-OE2 3.73Å; R662-E725 PolarHBondContact NE-O 3.07Å; R662-E725 IonicContact NE-OE2 2.7Å; R662-E725 PolarHBondContact NE-OE2 3.02Å; R662-E725 PolarHBondContact NH2-O 3.3Å; R662-E725 IonicContact NH2-OE2 3.16Å; R662-E725 PolarHBondContact NH2-OE2 3.24Å; D723-E725 PolarHBondContact O-N 3.11Å; D723-E725 VanDerWaalsContact O-N 3.11Å; D723-E725 PolarHBondContact OD2-N 3.05Å; E725-H727 PolarHBondContact O-N 3.04Å
726L91.4Very high94.7Very high1 Ų117 Ų171%0.0059%0.087CC..SBendtrans55.634.8-175.9-165.853.3000113.1L362 R662 Y664 M722 D723 Y728 S743L362-L726 HydrophobicContact CD1-CD1 4.47Å; R662-L726 HydrophobicContact CB-CB 4.14Å; R662-L726 HydrophobicContact CB-CD2 4.27Å; R662-L726 HydrophobicContact CG-CB 3.8Å; Y664-L726 HydrophobicContact CD1-CD2 3.99Å; Y664-L726 HydrophobicContact CD2-CD2 3.42Å; Y664-L726 VanDerWaalsContact CD2-CD2 3.42Å; Y664-L726 HydrophobicContact CE1-CD2 4.3Å; Y664-L726 HydrophobicContact CE2-CD2 3.79Å; Y664-L726 HydrophobicContact CG-CD2 3.53Å; M722-L726 HydrophobicContact CB-CD1 3.89Å; M722-L726 HydrophobicContact CG-CD1 3.5Å; M722-L726 VanDerWaalsContact CG-CD1 3.5Å; M722-L726 HydrophobicContact SD-CD1 3.59Å; M722-L726 VanDerWaalsContact SD-CD1 3.59Å; D723-L726 PolarHBondContact O-N 2.8Å; L726-Y728 VanDerWaalsContact C-N 3.32Å; L726-S743 WeakPolarHBondContact O-CB 3.23Å
727H91.9Very high94.7Very high62 Ų6216.9 Ų16.929%0.2879%0.085SC..SBendtrans-67.8-34.7168.5-68.3-47.7000112.1D723 E725 K742 S743D723-H727 WeakPolarHBondContact OD1-CA 3.27Å; D723-H727 WeakPolarHBondContact OD1-CB 3.49Å; D723-H727 PolarHBondContact OD1-N 3.48Å; D723-H727 IonicContact OD2-CD2 2.78Å; E725-H727 PolarHBondContact O-N 3.04Å; H727-K742 WeakPolarHBondContact O-CA 3.31Å; H727-S743 WeakPolarHBondContact CA-OG 3.45Å; H727-S743 PolarHBondContact O-N 3.25Å; H727-S743 PolarHBondContact O-OG 3.47Å
728Y95Very high94.7Very high24 Ų2416.9 Ų16.99%0.0949%0.085CC..EExtended strand (participates in β ladder)trans-134.1138.2179.1-51-83.5000111.2R400 C415 E416 M722 D723 L726 I740 W741 K742R400-Y728 HydrophobicContact CB-CE2 4.14Å; C415-Y728 HydrophobicContact CB-CD1 3.61Å; C415-Y728 HydrophobicContact CB-CD2 4.15Å; C415-Y728 HydrophobicContact CB-CE1 4.1Å; C415-Y728 HydrophobicContact CB-CG 3.65Å; E416-Y728 HydrophobicContact CB-CE1 4.31Å; E416-Y728 PolarHBondContact OE2-OH 2.89Å; M722-Y728 WeakPolarHBondContact CA-O 3.43Å; D723-Y728 PolarHBondContact N-O 3.4Å; D723-Y728 PolarHBondContact OD1-N 3.3Å; L726-Y728 VanDerWaalsContact C-N 3.32Å; Y728-I740 HydrophobicContact CD1-CG2 4.48Å; Y728-W741 WeakPolarHBondContact CA-O 3.41Å; Y728-K742 HydrophobicContact CD1-CB 4.37Å; Y728-K742 HydrophobicContact CD1-CG 4.25Å; Y728-K742 HydrophobicContact CE1-CD 4.07Å; Y728-K742 HydrophobicContact CE1-CG 4.02Å
729L96.4Very high94.7Very high0 Ų016.7 Ų16.70%09%0.085CC..EExtended strand (participates in β ladder)trans-115.6131.7167.5-178.4161.1000107.8L362 V666 I674 L699 M722 I740 W741L362-L729 HydrophobicContact CD1-CD1 3.89Å; L362-L729 HydrophobicContact CD2-CB 4.48Å; V666-L729 HydrophobicContact CG1-CD1 3.94Å; V666-L729 HydrophobicContact CG2-CD1 4.04Å; I674-L729 HydrophobicContact CD1-CD2 3.93Å; I674-L729 HydrophobicContact CG2-CD1 4.33Å; I674-L729 HydrophobicContact CG2-CD2 4.43Å; L699-L729 HydrophobicContact CD1-CD1 4.37Å; M722-L729 HydrophobicContact CG-CB 4.32Å; M722-L729 HydrophobicContact CG-CD1 4.39Å; M722-L729 HydrophobicContact CG-CG 4.16Å; L729-I740 CarbonylContact O-C 3.55Å; L729-I740 WeakPolarHBondContact O-CA 3.27Å; L729-W741 HydrophobicContact CB-CB 4.31Å; L729-W741 HydrophobicContact CD2-CD2 4.3Å; L729-W741 HydrophobicContact CD2-CE3 3.72Å; L729-W741 HydrophobicContact CD2-CZ3 4.22Å; L729-W741 PolarHBondContact N-O 2.88Å; L729-W741 PolarHBondContact O-N 3.47Å
730V97.7Very high94.7Very high0 Ų016.3 Ų16.30%08%0.082CC..EExtended strand (participates in β ladder)trans-120.1131-179.5176.20000109F389 V402 V720 A721 V738 V739 I740F389-V730 HydrophobicContact CE2-CB 4.39Å; F389-V730 HydrophobicContact CE2-CG2 3.96Å; F389-V730 HydrophobicContact CZ-CG2 3.61Å; V402-V730 HydrophobicContact CB-CG2 4.31Å; V402-V730 HydrophobicContact CG1-CG1 4.44Å; V402-V730 HydrophobicContact CG1-CG2 4.09Å; V402-V730 HydrophobicContact CG2-CB 4.38Å; V402-V730 HydrophobicContact CG2-CG1 4.27Å; V402-V730 HydrophobicContact CG2-CG2 4.23Å; V720-V730 CarbonylContact C-O 3.58Å; V720-V730 VanDerWaalsContact CA-O 3.28Å; V720-V730 WeakPolarHBondContact CA-O 3.24Å; A721-V730 PolarHBondContact N-O 2.86Å; A721-V730 PolarHBondContact O-N 2.87Å; V730-V738 HydrophobicContact CG1-CG1 3.7Å; V730-V739 WeakPolarHBondContact CA-O 3.33Å; V730-I740 HydrophobicContact CG2-CG1 4.26Å; V730-I740 HydrophobicContact CG2-CG2 4.18Å
731A97.6Very high94.6Very high0 Ų016.4 Ų16.40%08%0.082CC..EExtended strand (participates in β ladder)trans-118.6142.5174.600000111.5I674 I717 S719 V720 V738 V739 W741I674-A731 HydrophobicContact CD1-CB 3.59Å; I717-A731 HydrophobicContact CG2-CB 4.05Å; S719-A731 CarbonylContact O-C 3.6Å; S719-A731 WeakPolarHBondContact O-CA 3.43Å; V720-A731 HydrophobicContact CG1-CB 4.11Å; A731-V738 WeakPolarHBondContact O-CA 3.34Å; A731-V739 PolarHBondContact N-O 3.14Å; A731-V739 PolarHBondContact O-N 3.07Å; A731-W741 HydrophobicContact CB-CH2 4.11Å; A731-W741 HydrophobicContact CB-CZ3 3.61Å
732L97.8Very high94.6Very high0 Ų019.2 Ų19.20%09%0.094CC..EExtended strand (participates in β ladder)trans-116142.3179-66.8-167.1000110.5L384 A386 C387 T404 I717 N718 S719 V738L384-L732 HydrophobicContact CB-CB 3.87Å; L384-L732 HydrophobicContact CB-CD1 4.14Å; L384-L732 HydrophobicContact CB-CD2 4.16Å; L384-L732 HydrophobicContact CB-CG 4.3Å; L384-L732 HydrophobicContact CD1-CD2 3.94Å; A386-L732 VanDerWaalsContact O-CD1 3.27Å; A386-L732 WeakPolarHBondContact O-CD1 3.49Å; C387-L732 HydrophobicContact CB-CD1 3.66Å; C387-L732 HydrophobicContact CB-CD2 4.38Å; C387-L732 HydrophobicContact CB-CG 3.9Å; T404-L732 HydrophobicContact CG2-CD2 3.83Å; I717-L732 CarbonylContact C-O 3.58Å; I717-L732 WeakPolarHBondContact CA-O 3.49Å; N718-L732 PolarHBondContact N-O 2.96Å; S719-L732 PolarHBondContact N-O 3.2Å; S719-L732 PolarHBondContact O-N 3.15Å; L732-V738 HydrophobicContact CD2-CB 4.25Å; L732-V738 HydrophobicContact CD2-CG1 4.05Å; L732-V738 HydrophobicContact CD2-CG2 3.68Å
733T96.6Very high94.4Very high0 Ų019 Ų190%09%0.094CC..  trans-126.9164-169.664.70000114.2L384 W701 P715 S716 I717 K735 L737L384-T733 WeakPolarHBondContact CB-O 3.43Å; L384-T733 PolarHBondContact N-O 2.89Å; W701-T733 HydrophobicContact CH2-CG2 3.78Å; W701-T733 HydrophobicContact CZ3-CG2 3.93Å; P715-T733 HydrophobicContact CB-CG2 4.18Å; P715-T733 HydrophobicContact CG-CG2 3.53Å; S716-T733 VanDerWaalsContact O-CA 3.26Å; S716-T733 WeakPolarHBondContact O-CA 3.44Å; I717-T733 HydrophobicContact CD1-CG2 3.89Å; T733-K735 VanDerWaalsContact C-N 3.34Å; T733-L737 WeakPolarHBondContact CB-O 3.45Å; T733-L737 HydrophobicContact CG2-CB 4.43Å; T733-L737 WeakPolarHBondContact CG2-O 3.36Å; T733-L737 PolarHBondContact N-O 2.99Å; T733-L737 WeakPolarHBondContact OG1-CA 3.24Å; T733-L737 WeakPolarHBondContact OG1-CB 3.35Å; T733-L737 PolarHBondContact OG1-N 2.74Å; T733-L737 PolarHBondContact OG1-O 2.87Å
734D94.5Very high94Very high31 Ų3123 Ų2317%0.16611%0.112CC..THydrogen-bonded Turntrans-74.3-19.7170.862.1-3.2000114.1Q383 P715 S716 N718Q383-D734 HydrophobicContact CG-CB 4.07Å; Q383-D734 WeakPolarHBondContact CG-O 3.43Å; P715-D734 WeakPolarHBondContact CB-OD1 3.46Å; S716-D734 WeakPolarHBondContact CB-OD2 3.41Å; S716-D734 PolarHBondContact N-OD1 3.25Å; S716-D734 PolarHBondContact N-OD2 2.94Å; S716-D734 PolarHBondContact O-N 2.91Å; S716-D734 VanDerWaalsContact O-N 3.15Å; S716-D734 PolarHBondContact OG-OD2 3.26Å; N718-D734 PolarHBondContact ND2-N 3.23Å
735K93.1Very high92.7Very high55 Ų5525.9 Ų25.924%0.23913%0.129CC..THydrogen-bonded Turntrans-95.830.9179.6-59.9179.9-154.3164.70114.4F380 I712 E713 G714 P715 T733 L737F380-K735 HydrophobicContact CB-CB 4.44Å; F380-K735 HydrophobicContact CD1-CB 4.42Å; F380-K735 VanDerWaalsContact CD1-O 3.25Å; F380-K735 WeakPolarHBondContact CD1-O 3.13Å; I712-K735 HydrophobicContact CG2-CD 4.45Å; E713-K735 PolarHBondContact O-NZ 3.01Å; G714-K735 PolarHBondContact O-NZ 3.34Å; P715-K735 HydrophobicContact CB-CB 4.06Å; P715-K735 HydrophobicContact CB-CD 3.78Å; P715-K735 HydrophobicContact CB-CG 3.82Å; T733-K735 VanDerWaalsContact C-N 3.34Å; K735-L737 VanDerWaalsContact C-N 3.32Å; K735-L737 PolarHBondContact O-N 2.94Å
736N93.9Very high90.6Very high0 Ų029.2 Ų29.20%015%0.148CC..SBendtrans58.531.2178.4-169.322.3000115.4Q369 H371 S372 D379 T382Q369-N736 WeakPolarHBondContact CA-O 3.37Å; Q369-N736 WeakPolarHBondContact CG-O 3.26Å; H371-N736 WeakPolarHBondContact CB-OD1 3.44Å; H371-N736 PolarHBondContact N-OD1 2.82Å; S372-N736 VanDerWaalsContact CA-ND2 3.34Å; S372-N736 WeakPolarHBondContact CA-ND2 3.5Å; S372-N736 PolarHBondContact N-ND2 3.19Å; S372-N736 PolarHBondContact OG-ND2 3.4Å; D379-N736 WeakPolarHBondContact O-CB 3.17Å; D379-N736 PolarHBondContact O-ND2 3.21Å; T382-N736 WeakPolarHBondContact O-CA 3.47Å; T382-N736 VanDerWaalsContact O-CB 3.22Å; T382-N736 WeakPolarHBondContact O-CB 3.47Å; T382-N736 PolarHBondContact O-N 3.21Å; T382-N736 VanDerWaalsContact O-N 3.09Å
737L94.9Very high87.7Confident11 Ų1137.9 Ų37.96%0.05821%0.209CC..  trans-113.4128.1175.8-62.8172000111.2Q369 F380 L384 W701 L704 I712 T733 K735 V739Q369-L737 HydrophobicContact CB-CD2 4.26Å; F380-L737 HydrophobicContact CE1-CD2 4.27Å; F380-L737 HydrophobicContact CE1-CG 4.49Å; L384-L737 WeakPolarHBondContact CD1-O 3.3Å; W701-L737 HydrophobicContact CH2-CB 4.44Å; W701-L737 HydrophobicContact CH2-CD1 4.23Å; W701-L737 HydrophobicContact CZ2-CD1 3.85Å; L704-L737 HydrophobicContact CD1-CD1 3.95Å; I712-L737 HydrophobicContact CD1-CD1 4.23Å; I712-L737 HydrophobicContact CG2-CD1 4.36Å; T733-L737 WeakPolarHBondContact CB-O 3.45Å; T733-L737 HydrophobicContact CG2-CB 4.43Å; T733-L737 WeakPolarHBondContact CG2-O 3.36Å; T733-L737 PolarHBondContact N-O 2.99Å; T733-L737 WeakPolarHBondContact OG1-CA 3.24Å; T733-L737 WeakPolarHBondContact OG1-CB 3.35Å; T733-L737 PolarHBondContact OG1-N 2.74Å; T733-L737 PolarHBondContact OG1-O 2.87Å; K735-L737 VanDerWaalsContact C-N 3.32Å; K735-L737 PolarHBondContact O-N 2.94Å; L737-V739 HydrophobicContact CB-CG2 4.47Å
738V96.8Very high87.5Confident0 Ų036.7 Ų36.70%021%0.205CC..EExtended strand (participates in β ladder)trans-94.8126.4159.6-1750000106.9A367 L368 C370 L384 T404 I413 V730 A731 L732 I740A367-V738 CarbonylContact C-O 3.6Å; A367-V738 WeakPolarHBondContact CA-O 3.37Å; L368-V738 HydrophobicContact CB-CB 4.37Å; L368-V738 PolarHBondContact N-O 3.13Å; L368-V738 PolarHBondContact O-N 2.79Å; C370-V738 WeakPolarHBondContact SG-CG2 3.32Å; L384-V738 HydrophobicContact CD1-CG2 3.53Å; T404-V738 HydrophobicContact CG2-CG1 4.35Å; T404-V738 HydrophobicContact CG2-CG2 4.38Å; I413-V738 HydrophobicContact CD1-CG1 4.19Å; I413-V738 HydrophobicContact CD1-CG2 4.26Å; V730-V738 HydrophobicContact CG1-CG1 3.7Å; A731-V738 WeakPolarHBondContact O-CA 3.34Å; L732-V738 HydrophobicContact CD2-CB 4.25Å; L732-V738 HydrophobicContact CD2-CG1 4.05Å; L732-V738 HydrophobicContact CD2-CG2 3.68Å; V738-I740 HydrophobicContact CG1-CG1 4.4Å
739V96.6Very high87.1Confident1 Ų137.3 Ų37.31%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-119.7140.1174.3-173.40000109.1H366 A367 W701 P702 L704 V730 A731 L737 W741H366-V739 WeakPolarHBondContact O-CA 3.09Å; A367-V739 HydrophobicContact CB-CG2 4.14Å; W701-V739 HydrophobicContact CH2-CG2 3.5Å; W701-V739 VanDerWaalsContact CH2-CG2 3.5Å; W701-V739 HydrophobicContact CZ2-CG2 4.41Å; W701-V739 HydrophobicContact CZ3-CG2 3.82Å; P702-V739 HydrophobicContact CG-CG1 4.05Å; L704-V739 HydrophobicContact CD1-CG2 4.34Å; V730-V739 WeakPolarHBondContact CA-O 3.33Å; A731-V739 PolarHBondContact N-O 3.14Å; A731-V739 PolarHBondContact O-N 3.07Å; L737-V739 HydrophobicContact CB-CG2 4.47Å; V739-W741 HydrophobicContact CB-CE3 4.37Å; V739-W741 HydrophobicContact CB-CH2 3.62Å; V739-W741 HydrophobicContact CB-CZ3 3.47Å; V739-W741 VanDerWaalsContact CB-CZ3 3.47Å; V739-W741 HydrophobicContact CG1-CD2 4.47Å; V739-W741 HydrophobicContact CG1-CE3 3.97Å; V739-W741 HydrophobicContact CG1-CH2 3.35Å; V739-W741 HydrophobicContact CG1-CZ2 3.94Å; V739-W741 HydrophobicContact CG1-CZ3 3.39Å; V739-W741 WeakPolarHBondContact O-CZ3 3.42Å
740I97.1Very high86.6Confident0 Ų039.4 Ų39.40%022%0.222CC..EExtended strand (participates in β ladder)trans-124.2125.7-173.6-47.4-173.8000108.2L365 H366 L368 I413 C415 Y728 L729 V730 V738L365-I740 PolarHBondContact N-O 3.29Å; H366-I740 HydrophobicContact CB-CB 4.24Å; H366-I740 HydrophobicContact CB-CD1 4.32Å; H366-I740 HydrophobicContact CB-CG1 4.34Å; H366-I740 PolarHBondContact N-O 3.17Å; H366-I740 PolarHBondContact O-N 2.83Å; L368-I740 HydrophobicContact CD1-CD1 4.11Å; I413-I740 HydrophobicContact CG2-CD1 4.16Å; C415-I740 HydrophobicContact CB-CD1 4.41Å; C415-I740 HydrophobicContact CB-CG2 4.04Å; Y728-I740 HydrophobicContact CD1-CG2 4.48Å; L729-I740 CarbonylContact O-C 3.55Å; L729-I740 WeakPolarHBondContact O-CA 3.27Å; V730-I740 HydrophobicContact CG2-CG1 4.26Å; V730-I740 HydrophobicContact CG2-CG2 4.18Å; V738-I740 HydrophobicContact CG1-CG1 4.4Å
741W95.7Very high85.9Confident2 Ų241.7 Ų41.71%0.00824%0.236CC..EExtended strand (participates in β ladder)trans-105.9152.4169.1-66.6-116.1000109.3L362 K363 I674 L699 Y728 L729 A731 V739L362-W741 HydrophobicContact CB-CB 4.27Å; K363-W741 CarbonylContact O-C 3.54Å; K363-W741 WeakPolarHBondContact O-CA 3.46Å; K363-W741 WeakPolarHBondContact O-CB 3.22Å; I674-W741 HydrophobicContact CD1-CE3 4.18Å; I674-W741 HydrophobicContact CD1-CH2 3.32Å; I674-W741 HydrophobicContact CD1-CZ2 3.74Å; I674-W741 HydrophobicContact CD1-CZ3 3.56Å; L699-W741 HydrophobicContact CD1-CG 4.41Å; Y728-W741 WeakPolarHBondContact CA-O 3.41Å; L729-W741 HydrophobicContact CB-CB 4.31Å; L729-W741 HydrophobicContact CD2-CD2 4.3Å; L729-W741 HydrophobicContact CD2-CE3 3.72Å; L729-W741 HydrophobicContact CD2-CZ3 4.22Å; L729-W741 PolarHBondContact N-O 2.88Å; L729-W741 PolarHBondContact O-N 3.47Å; A731-W741 HydrophobicContact CB-CH2 4.11Å; A731-W741 HydrophobicContact CB-CZ3 3.61Å; V739-W741 HydrophobicContact CB-CE3 4.37Å; V739-W741 HydrophobicContact CB-CH2 3.62Å; V739-W741 HydrophobicContact CB-CZ3 3.47Å; V739-W741 VanDerWaalsContact CB-CZ3 3.47Å; V739-W741 HydrophobicContact CG1-CD2 4.47Å; V739-W741 HydrophobicContact CG1-CE3 3.97Å; V739-W741 HydrophobicContact CG1-CH2 3.35Å; V739-W741 HydrophobicContact CG1-CZ2 3.94Å; V739-W741 HydrophobicContact CG1-CZ3 3.39Å; V739-W741 WeakPolarHBondContact O-CZ3 3.42Å
742K94.9Very high85.2Confident63 Ų6344.3 Ų44.327%0.27425%0.25SS..EExtended strand (participates in β ladder)trans-122.5144.1176.9-175.2176.8179.5175.80110.9L362 K363 L365 E416 H727 Y728L362-K742 WeakPolarHBondContact CA-O 3.46Å; K363-K742 PolarHBondContact N-O 2.85Å; K363-K742 PolarHBondContact O-N 2.93Å; L365-K742 HydrophobicContact CB-CB 4.24Å; L365-K742 HydrophobicContact CD1-CD 4.39Å; L365-K742 HydrophobicContact CD2-CB 4.1Å; L365-K742 HydrophobicContact CD2-CD 4.06Å; E416-K742 IonicContact OE1-NZ 2.74Å; E416-K742 PolarHBondContact OE1-NZ 3.04Å; E416-K742 WeakPolarHBondContact OE2-CE 3.38Å; E416-K742 IonicContact OE2-NZ 3.32Å; E416-K742 PolarHBondContact OE2-NZ 3.09Å; H727-K742 WeakPolarHBondContact O-CA 3.31Å; Y728-K742 HydrophobicContact CD1-CB 4.37Å; Y728-K742 HydrophobicContact CD1-CG 4.25Å; Y728-K742 HydrophobicContact CE1-CD 4.07Å; Y728-K742 HydrophobicContact CE1-CG 4.02Å
743S91.8Very high84.4Confident13 Ų1347.3 Ų47.39%0.09127%0.267CS..EExtended strand (participates in β ladder)trans-66.3131.5171.262.80000111.4V360 S361 L726 H727V360-S743 VanDerWaalsContact CG1-CB 3.46Å; S361-S743 WeakPolarHBondContact O-CA 3.33Å; L726-S743 WeakPolarHBondContact O-CB 3.23Å; H727-S743 WeakPolarHBondContact CA-OG 3.45Å; H727-S743 PolarHBondContact O-N 3.25Å; H727-S743 PolarHBondContact O-OG 3.47Å
744E84.6Confident83.5Confident86 Ų8650.6 Ų50.640%0.40229%0.286SS..  trans-78.5123.9158-66.6-160139.700110S361 K363 L746S361-E744 PolarHBondContact O-N 2.78Å; K363-E744 HydrophobicContact CD-CG 4.19Å; K363-E744 WeakPolarHBondContact CD-OE1 3.28Å; K363-E744 WeakPolarHBondContact CE-OE1 3.23Å; K363-E744 WeakPolarHBondContact CE-OE2 3.28Å; K363-E744 HydrophobicContact CG-CG 4.44Å; K363-E744 IonicContact NZ-OE1 3.11Å; K363-E744 PolarHBondContact NZ-OE1 2.95Å; K363-E744 IonicContact NZ-OE2 3.4Å; K363-E744 PolarHBondContact NZ-OE2 3.03Å; E744-L746 PolarHBondContact O-N 3.26Å
745V60Low82.6Confident120 Ų12052.2 Ų52.273%0.72730%0.295SS*.  trans-74.6108.6164.81800000106.7S747V745-S747 PolarHBondContact O-N 3.35Å; V745-S747 VanDerWaalsContact O-N 3.08Å
746L44.6Very low81.8Confident144 Ų14451.9 Ų51.975%0.75430%0.3SS*.  trans-62.8108.3166.9-67.4171000108.2E744E744-L746 PolarHBondContact O-N 3.26Å
747S30.4Very low80.7Confident183 Ų18356.6 Ų56.6100%1.2833%0.327SS*.  trans-76.30177.858.70000112.5V745V745-S747 PolarHBondContact O-N 3.35Å; V745-S747 VanDerWaalsContact O-N 3.08Å

Retrieved 747 of 747 residues in 124.9 ms (Link to these results)

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