G4V867_SCHMA Loading...

Putative cop-coated vesicle membrane protein P24 (Emp24/gp25l family)

AlphaFold DB , UniProt , Accession G4V867, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 222 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
1M69.1Low77.8Confident179 Ų179123.8 Ų123.888%0.88263%0.629SS**  0-57.90-156.7164.472.300111.7L3 S4 L5M1-L3 PolarHBondContact O-N 3.36Å; M1-S4 PolarHBondContact O-N 3.43Å; M1-L5 PolarHBondContact O-N 2.9Å; M1-L5 VanDerWaalsContact O-N 3.16Å
2Y75Confident77.1Confident189 Ų189121 Ų12174%0.74162%0.616SS**Hα-helixtrans-59.2-38178.7-63.9-77.3000115.3S4 L5 F6Y2-S4 VanDerWaalsContact C-N 3.31Å; Y2-S4 PolarHBondContact O-N 2.99Å; Y2-L5 PolarHBondContact O-N 3.3Å; Y2-F6 PolarHBondContact O-N 3.16Å
3L78.5Confident76Confident157 Ų157116.8 Ų116.882%0.82262%0.622SS**Hα-helixtrans-63.5-36.9177.6-146.890.7000112.4M1 A7M1-L3 PolarHBondContact O-N 3.36Å; L3-A7 WeakPolarHBondContact O-CB 3.45Å; L3-A7 PolarHBondContact O-N 3.28Å
4S82.3Confident75.1Confident85 Ų85118.5 Ų118.559%0.59463%0.63SS**Hα-helixtrans-71.2-39.8177.2-175.60000111.2M1 Y2 A7 F8M1-S4 PolarHBondContact O-N 3.43Å; Y2-S4 VanDerWaalsContact C-N 3.31Å; Y2-S4 PolarHBondContact O-N 2.99Å; S4-A7 PolarHBondContact O-N 3.37Å; S4-F8 WeakPolarHBondContact O-CB 3.43Å; S4-F8 PolarHBondContact O-N 3.45Å
5L80Confident73.9Confident89 Ų89116.1 Ų116.147%0.46663%0.626SS.*Hα-helixtrans-65.3-40174.4-68.5170.7000112M1 Y2 F8 N9M1-L5 PolarHBondContact O-N 2.9Å; M1-L5 VanDerWaalsContact O-N 3.16Å; Y2-L5 PolarHBondContact O-N 3.3Å; L5-F8 PolarHBondContact O-N 3.39Å; L5-N9 PolarHBondContact O-N 2.87Å; L5-N9 PolarHBondContact O-ND2 2.87Å
6F80.8Confident72.8Confident155 Ų155116.2 Ų116.268%0.6863%0.632SS**Hα-helixtrans-67.1-42.9176.1-165.6-95.6000111.5Y2 F8 N9 L10Y2-F6 PolarHBondContact O-N 3.16Å; F6-F8 VanDerWaalsContact C-N 3.32Å; F6-F8 PolarHBondContact O-N 3.41Å; F6-N9 PolarHBondContact O-N 3.2Å; F6-L10 VanDerWaalsContact O-CB 3.31Å; F6-L10 WeakPolarHBondContact O-CB 3.31Å; F6-L10 PolarHBondContact O-N 2.63Å
7A80.7Confident71.9Confident56 Ų56113.4 Ų113.446%0.46364%0.636SS.*Hα-helixtrans-61.9-39.4173.900000112.1L3 S4 L10 L11L3-A7 WeakPolarHBondContact O-CB 3.45Å; L3-A7 PolarHBondContact O-N 3.28Å; S4-A7 PolarHBondContact O-N 3.37Å; A7-L10 PolarHBondContact O-N 2.89Å; A7-L11 VanDerWaalsContact O-CB 3.3Å; A7-L11 WeakPolarHBondContact O-CB 3.32Å; A7-L11 PolarHBondContact O-N 3.47Å
8F80.9Confident71.1Confident120 Ų120117.4 Ų117.453%0.52664%0.641SS.*Hα-helixtrans-68.2-42.2177-171.5-105000112.5S4 L5 F6 L11 L12S4-F8 WeakPolarHBondContact O-CB 3.43Å; S4-F8 PolarHBondContact O-N 3.45Å; L5-F8 PolarHBondContact O-N 3.39Å; F6-F8 VanDerWaalsContact C-N 3.32Å; F6-F8 PolarHBondContact O-N 3.41Å; F8-L11 PolarHBondContact O-N 3.4Å; F8-L12 HydrophobicContact CD1-CD1 3.71Å; F8-L12 HydrophobicContact CD1-CG 4.35Å; F8-L12 HydrophobicContact CE1-CD1 3.39Å; F8-L12 HydrophobicContact CE1-CG 4.12Å; F8-L12 HydrophobicContact CZ-CD1 4.02Å; F8-L12 HydrophobicContact CZ-CD2 4.5Å; F8-L12 HydrophobicContact CZ-CG 4.35Å; F8-L12 WeakPolarHBondContact O-CB 3.3Å; F8-L12 WeakPolarHBondContact O-CG 3.36Å; F8-L12 PolarHBondContact O-N 2.78Å
9N78.1Confident70.9Confident104 Ų104116.3 Ų116.356%0.55664%0.641SS**Hα-helixtrans-67.5-36.3174.6-78.2-81.3000112.2L5 F6 L12 G13L5-N9 PolarHBondContact O-N 2.87Å; L5-N9 PolarHBondContact O-ND2 2.87Å; F6-N9 PolarHBondContact O-N 3.2Å; N9-L12 PolarHBondContact O-N 2.93Å; N9-G13 PolarHBondContact O-N 3.45Å
10L77.3Confident71.3Confident106 Ų106113.6 Ų113.656%0.55563%0.63SS**Hα-helixtrans-64.7-41.7172.9-173.470.6000110.9F6 A7 G13 L14F6-L10 VanDerWaalsContact O-CB 3.31Å; F6-L10 WeakPolarHBondContact O-CB 3.31Å; F6-L10 PolarHBondContact O-N 2.63Å; A7-L10 PolarHBondContact O-N 2.89Å; L10-G13 PolarHBondContact O-N 3.42Å; L10-L14 WeakPolarHBondContact O-CG 3.32Å; L10-L14 PolarHBondContact O-N 3Å
11L73Confident72.1Confident122 Ų122113 Ų11364%0.63962%0.618SS**Hα-helixtrans-65.9-38.9177.4-16374.4000111.9A7 F8A7-L11 VanDerWaalsContact O-CB 3.3Å; A7-L11 WeakPolarHBondContact O-CB 3.32Å; A7-L11 PolarHBondContact O-N 3.47Å; F8-L11 PolarHBondContact O-N 3.4Å
12L68.8Low73.2Confident90 Ų90107.7 Ų107.747%0.47159%0.593SS.*Hα-helixtrans-69.1-35.3174.7-74174.4000112.7F8 N9 L14 S15F8-L12 HydrophobicContact CD1-CD1 3.71Å; F8-L12 HydrophobicContact CD1-CG 4.35Å; F8-L12 HydrophobicContact CE1-CD1 3.39Å; F8-L12 HydrophobicContact CE1-CG 4.12Å; F8-L12 HydrophobicContact CZ-CD1 4.02Å; F8-L12 HydrophobicContact CZ-CD2 4.5Å; F8-L12 HydrophobicContact CZ-CG 4.35Å; F8-L12 WeakPolarHBondContact O-CB 3.3Å; F8-L12 WeakPolarHBondContact O-CG 3.36Å; F8-L12 PolarHBondContact O-N 2.78Å; N9-L12 PolarHBondContact O-N 2.93Å; L12-L14 PolarHBondContact O-N 3.22Å; L12-S15 PolarHBondContact O-N 2.94Å; L12-S15 PolarHBondContact O-OG 3.12Å
13G64Low74Confident67 Ų67101.6 Ų101.669%0.69158%0.576SS**Hα-helixtrans-66.7-22.7177.900000113.8N9 L10 S15N9-G13 PolarHBondContact O-N 3.45Å; L10-G13 PolarHBondContact O-N 3.42Å; G13-S15 VanDerWaalsContact C-N 3.34Å
14L63.1Low74.8Confident140 Ų14095.1 Ų95.173%0.73354%0.541SS*.THydrogen-bonded Turntrans-84-3.9178.9-67.4172.8000113.8L10 L12L10-L14 WeakPolarHBondContact O-CG 3.32Å; L10-L14 PolarHBondContact O-N 3Å; L12-L14 PolarHBondContact O-N 3.22Å
15S57Low75.3Confident82 Ų8296.4 Ų96.457%0.57354%0.538SS*.  trans-10813.6-161.884.70000116.6L12 G13L12-S15 PolarHBondContact O-N 2.94Å; L12-S15 PolarHBondContact O-OG 3.12Å; G13-S15 VanDerWaalsContact C-N 3.34Å
16V56.5Low76.1Confident118 Ų11892.2 Ų92.272%0.71552%0.516SS*.  trans-121.173.9176.4-169.70000109.9Y18V16-Y18 HydrophobicContact CG1-CD2 4.34Å; V16-Y18 HydrophobicContact CG1-CE2 4.01Å
17G57.1Low76.7Confident69 Ų6986.9 Ų86.971%0.71150%0.496SS*.  trans-118108.6156.900000106.9
18Y57.7Low77.3Confident185 Ų18587.5 Ų87.573%0.72549%0.492SS*.  trans-70.8132.3165.6-71.7-86.1000107.2V16 S20V16-Y18 HydrophobicContact CG1-CD2 4.34Å; V16-Y18 HydrophobicContact CG1-CE2 4.01Å; Y18-S20 PolarHBondContact O-N 3.34Å
19P66.5Low77.8Confident97 Ų9787.3 Ų87.363%0.6350%0.496SS*.  trans-68.6125.4177.528.5-32.9000109.2R21P19-R21 PolarHBondContact O-N 3.22Å; P19-R21 VanDerWaalsContact O-N 3.1Å
20S79.7Confident78.6Confident61 Ų6186.9 Ų86.943%0.42749%0.491SS..SBendtrans-67.9-1.1174.244.30000114.1Y18 E111 I112Y18-S20 PolarHBondContact O-N 3.34Å; S20-E111 CarbonylContact O-C 3.58Å; S20-E111 VanDerWaalsContact O-CA 3.3Å; S20-E111 WeakPolarHBondContact O-CA 3.1Å; S20-I112 PolarHBondContact O-N 3.06Å
21R88.3Confident79.5Confident101 Ų10183.7 Ų83.738%0.38148%0.484SS..EExtended strand (participates in β ladder)trans-143.1138.4-174.260.1-155.4171.8-1711.5110.9P19 Y109 F110 E111 E151P19-R21 PolarHBondContact O-N 3.22Å; P19-R21 VanDerWaalsContact O-N 3.1Å; R21-Y109 HydrophobicContact CB-CE2 4.17Å; R21-F110 CarbonylContact C-O 3.52Å; R21-F110 VanDerWaalsContact CA-O 3.31Å; R21-F110 WeakPolarHBondContact CA-O 3.32Å; R21-E111 HydrophobicContact CB-CB 3.95Å; R21-E111 HydrophobicContact CB-CG 3.98Å; R21-E151 IonicContact CZ-OE1 3.67Å; R21-E151 IonicContact NH1-OE1 3.47Å; R21-E151 PolarHBondContact NH1-OE1 3.28Å; R21-E151 IonicContact NH2-OE1 3.99Å
22L91.6Very high80.6Confident69 Ų6980.1 Ų80.136%0.36147%0.465SS..EExtended strand (participates in β ladder)trans-146.4142.5-178.5-179.964.1000110.9F24 F34 Y109 F110L22-F24 HydrophobicContact CD2-CB 4.42Å; L22-F24 HydrophobicContact CG-CB 4.42Å; L22-F34 HydrophobicContact CD2-CD1 4.11Å; L22-F34 HydrophobicContact CD2-CE1 3.43Å; L22-F34 VanDerWaalsContact CD2-CE1 3.43Å; L22-F34 HydrophobicContact CD2-CZ 3.9Å; L22-Y109 WeakPolarHBondContact O-CA 3.21Å; L22-F110 HydrophobicContact CB-CD1 4.43Å; L22-F110 HydrophobicContact CB-CE1 3.8Å; L22-F110 HydrophobicContact CB-CZ 3.96Å; L22-F110 HydrophobicContact CD2-CE1 4.03Å; L22-F110 HydrophobicContact CD2-CZ 4.21Å; L22-F110 HydrophobicContact CG-CE1 4.24Å; L22-F110 PolarHBondContact N-O 2.89Å; L22-F110 PolarHBondContact O-N 2.91Å
23T92.5Very high81.9Confident60 Ų6078.1 Ų78.137%0.36846%0.458SS..EExtended strand (participates in β ladder)trans-111124.8165.7-51.60000108.6I51 L107 I108T23-I51 HydrophobicContact CG2-CD1 3.72Å; T23-L107 HydrophobicContact CG2-CD1 3.82Å; T23-L107 HydrophobicContact CG2-CD2 4.33Å; T23-L107 HydrophobicContact CG2-CG 3.94Å; T23-I108 CarbonylContact C-O 3.38Å; T23-I108 VanDerWaalsContact CA-O 3.31Å; T23-I108 WeakPolarHBondContact CA-O 3.3Å
24F94.2Very high83.4Confident21 Ų2177.2 Ų77.29%0.09244%0.435CS..EExtended strand (participates in β ladder)trans-139.7156.7-177.676.6-79.5000111.4L22 L26 I32 F34 F96 I108 F110L22-F24 HydrophobicContact CD2-CB 4.42Å; L22-F24 HydrophobicContact CG-CB 4.42Å; F24-L26 HydrophobicContact CD2-CB 4.47Å; F24-L26 HydrophobicContact CE2-CB 3.8Å; F24-L26 HydrophobicContact CE2-CD1 4.2Å; F24-L26 HydrophobicContact CE2-CG 4.45Å; F24-L26 HydrophobicContact CZ-CB 4.49Å; F24-I32 HydrophobicContact CD2-CD1 4.32Å; F24-I32 HydrophobicContact CE2-CB 4.42Å; F24-I32 HydrophobicContact CE2-CD1 4.25Å; F24-F34 HydrophobicContact CB-CZ 4.38Å; F24-F34 AromaticContact CD1-CE2 3.88Å; F24-F34 HydrophobicContact CD1-CE2 3.88Å; F24-F34 AromaticContact CD1-CZ 3.83Å; F24-F34 HydrophobicContact CD1-CZ 3.83Å; F24-F34 HydrophobicContact CD2-CE2 4.16Å; F24-F34 AromaticContact CD2-CZ 3.94Å; F24-F34 HydrophobicContact CD2-CZ 3.94Å; F24-F34 AromaticContact CE1-CE2 3.6Å; F24-F34 HydrophobicContact CE1-CE2 3.6Å; F24-F34 HydrophobicContact CE1-CZ 4.06Å; F24-F34 AromaticContact CE2-CE2 3.9Å; F24-F34 HydrophobicContact CE2-CE2 3.9Å; F24-F34 HydrophobicContact CE2-CZ 4.16Å; F24-F34 HydrophobicContact CG-CE2 4.15Å; F24-F34 AromaticContact CG-CZ 3.77Å; F24-F34 HydrophobicContact CG-CZ 3.77Å; F24-F34 AromaticContact CZ-CE2 3.63Å; F24-F34 HydrophobicContact CZ-CE2 3.63Å; F24-F34 HydrophobicContact CZ-CZ 4.23Å; F24-F96 HydrophobicContact CE1-CD2 4.14Å; F24-F96 HydrophobicContact CE1-CE2 4.12Å; F24-F96 HydrophobicContact CE1-CG 4.37Å; F24-F96 HydrophobicContact CE1-CZ 4.3Å; F24-F96 HydrophobicContact CZ-CB 4.05Å; F24-F96 HydrophobicContact CZ-CD1 4.24Å; F24-F96 AromaticContact CZ-CD2 3.75Å; F24-F96 HydrophobicContact CZ-CD2 3.75Å; F24-F96 HydrophobicContact CZ-CE2 4.2Å; F24-F96 AromaticContact CZ-CG 3.76Å; F24-F96 HydrophobicContact CZ-CG 3.76Å; F24-I108 HydrophobicContact CD1-CB 4.36Å; F24-I108 HydrophobicContact CE1-CB 3.81Å; F24-I108 HydrophobicContact CE1-CG2 4.02Å; F24-I108 HydrophobicContact CZ-CB 4.08Å; F24-I108 HydrophobicContact CZ-CD1 4.14Å; F24-I108 HydrophobicContact CZ-CG2 4.45Å; F24-I108 PolarHBondContact N-O 2.91Å; F24-I108 PolarHBondContact O-N 2.82Å; F24-F110 AromaticContact CD1-CD1 3.86Å; F24-F110 HydrophobicContact CD1-CD1 3.86Å; F24-F110 AromaticContact CD1-CE1 3.73Å; F24-F110 HydrophobicContact CD1-CE1 3.73Å; F24-F110 AromaticContact CE1-CD1 3.63Å; F24-F110 HydrophobicContact CE1-CD1 3.63Å; F24-F110 AromaticContact CE1-CE1 3.73Å; F24-F110 HydrophobicContact CE1-CE1 3.73Å
25E94.2Very high84.9Confident113 Ų11377.6 Ų77.653%0.52843%0.428SS..EExtended strand (participates in β ladder)trans-93.4124.8174.1-167.7-179.8167.700109.2H105 K106E25-H105 HydrophobicContact CG-CB 4.31Å; E25-H105 IonicContact OE1-CD2 3.58Å; E25-H105 PolarHBondContact OE1-CD2 3.01Å; E25-H105 IonicContact OE1-CE1 3.82Å; E25-H105 IonicContact OE1-CG 2.89Å; E25-H105 IonicContact OE1-ND1 3.88Å; E25-H105 IonicContact OE1-NE2 2.77Å; E25-K106 CarbonylContact C-O 3.53Å; E25-K106 WeakPolarHBondContact CA-O 3.45Å
26L95.9Very high86.6Confident0 Ų077 Ų770%042%0.416CS..EExtended strand (participates in β ladder)trans-101.3110174.9-176.359000108.5F24 I32 V58 F96 N98 H105 K106 I108F24-L26 HydrophobicContact CD2-CB 4.47Å; F24-L26 HydrophobicContact CE2-CB 3.8Å; F24-L26 HydrophobicContact CE2-CD1 4.2Å; F24-L26 HydrophobicContact CE2-CG 4.45Å; F24-L26 HydrophobicContact CZ-CB 4.49Å; L26-I32 HydrophobicContact CD1-CB 4.09Å; L26-I32 HydrophobicContact CD1-CD1 3.88Å; L26-I32 HydrophobicContact CD1-CG1 3.79Å; L26-V58 HydrophobicContact CD2-CG2 3.97Å; L26-F96 HydrophobicContact CD2-CB 3.85Å; L26-N98 HydrophobicContact CD2-CB 3.61Å; L26-N98 HydrophobicContact CG-CB 3.7Å; L26-H105 CarbonylContact O-C 3.43Å; L26-H105 WeakPolarHBondContact O-CA 3.47Å; L26-K106 HydrophobicContact CB-CB 4.49Å; L26-K106 PolarHBondContact N-O 3.02Å; L26-K106 PolarHBondContact O-N 2.79Å; L26-I108 HydrophobicContact CB-CD1 4.03Å; L26-I108 HydrophobicContact CD2-CD1 3.63Å
27P94.4Very high88.4Confident43 Ų4376.6 Ų76.628%0.27941%0.41SS..  trans-60.2163.8179.6-26.137.6000113.1E30 N98P27-E30 HydrophobicContact CB-CB 4.17Å; P27-E30 WeakPolarHBondContact CG-OE2 3.41Å; P27-N98 WeakPolarHBondContact O-CB 3.22Å; P27-N98 PolarHBondContact O-ND2 3.31Å
28D92.1Very high90Very high69 Ų6973.7 Ų73.737%0.36938%0.378SS..THydrogen-bonded Turntrans-68.3147.4168.959.8-68000110.9E30 S101D28-E30 PolarHBondContact O-N 3.1Å; D28-E30 VanDerWaalsContact O-N 3.15Å; D28-S101 WeakPolarHBondContact CB-O 3.4Å
29N92Very high91.6Very high116 Ų11667 Ų6762%0.6236%0.358SS*.THydrogen-bonded Turntrans57.526179-164.652.3000115.1N98 E99 S101N29-N98 PolarHBondContact N-O 3Å; N29-E99 PolarHBondContact OD1-O 3.04Å; N29-S101 PolarHBondContact N-O 3.24Å; N29-S101 VanDerWaalsContact N-O 3.14Å
30E94.6Very high92.8Very high95 Ų9564.1 Ų64.144%0.44434%0.341SS..  trans-134.4156.7-178.1-169.3164.5-167.100112.2P27 D28 N98P27-E30 HydrophobicContact CB-CB 4.17Å; P27-E30 WeakPolarHBondContact CG-OE2 3.41Å; D28-E30 PolarHBondContact O-N 3.1Å; D28-E30 VanDerWaalsContact O-N 3.15Å; E30-N98 PolarHBondContact O-N 3.46Å
31G95.2Very high93.4Very high39 Ų3965 Ų6540%0.40235%0.347SS..EExtended strand (participates in β ladder)trans-130.3136.917200000111.9F96G31-F96 CarbonylContact C-O 3.55Å; G31-F96 WeakPolarHBondContact CA-O 3.47Å
32I96.6Very high93.5Very high47 Ų4763.4 Ų63.424%0.24134%0.343CS..EExtended strand (participates in β ladder)trans-122.9136.7-177.7-62.7175.7000109.1F24 L26 F34 C95 F96F24-I32 HydrophobicContact CD2-CD1 4.32Å; F24-I32 HydrophobicContact CE2-CB 4.42Å; F24-I32 HydrophobicContact CE2-CD1 4.25Å; L26-I32 HydrophobicContact CD1-CB 4.09Å; L26-I32 HydrophobicContact CD1-CD1 3.88Å; L26-I32 HydrophobicContact CD1-CG1 3.79Å; I32-F34 HydrophobicContact CG2-CD2 4.37Å; I32-F34 HydrophobicContact CG2-CE2 3.71Å; I32-F34 HydrophobicContact CG2-CZ 3.8Å; I32-C95 WeakPolarHBondContact O-CA 3.34Å; I32-F96 PolarHBondContact N-O 2.58Å; I32-F96 PolarHBondContact O-N 3.49Å
33C96.3Very high93.6Very high48 Ų4865.1 Ų65.132%0.32435%0.348SS..EExtended strand (participates in β ladder)trans-116.9134.8175.9-59.90000111.5Y35 F94 C95C33-Y35 HydrophobicContact CB-CE2 3.92Å; C33-F94 WeakPolarHBondContact CA-O 3.3Å; C33-C95 HydrophobicContact CB-CB 4.11Å; C33-C95 WeakPolarHBondContact CB-SG 3.49Å; C33-C95 WeakPolarHBondContact SG-CB 3.45Å; C33-C95 CovalentContact SG-SG 2.05Å; C33-C95 PolarHBondContact SG-SG 3.36Å
34F96Very high93.6Very high49 Ų4963.1 Ų63.122%0.21533%0.334CS..EExtended strand (participates in β ladder)trans-105.6148.2170.9-61.2-87.1000110L22 F24 I32 S93 F94 F96 F110L22-F34 HydrophobicContact CD2-CD1 4.11Å; L22-F34 HydrophobicContact CD2-CE1 3.43Å; L22-F34 VanDerWaalsContact CD2-CE1 3.43Å; L22-F34 HydrophobicContact CD2-CZ 3.9Å; F24-F34 HydrophobicContact CB-CZ 4.38Å; F24-F34 AromaticContact CD1-CE2 3.88Å; F24-F34 HydrophobicContact CD1-CE2 3.88Å; F24-F34 AromaticContact CD1-CZ 3.83Å; F24-F34 HydrophobicContact CD1-CZ 3.83Å; F24-F34 HydrophobicContact CD2-CE2 4.16Å; F24-F34 AromaticContact CD2-CZ 3.94Å; F24-F34 HydrophobicContact CD2-CZ 3.94Å; F24-F34 AromaticContact CE1-CE2 3.6Å; F24-F34 HydrophobicContact CE1-CE2 3.6Å; F24-F34 HydrophobicContact CE1-CZ 4.06Å; F24-F34 AromaticContact CE2-CE2 3.9Å; F24-F34 HydrophobicContact CE2-CE2 3.9Å; F24-F34 HydrophobicContact CE2-CZ 4.16Å; F24-F34 HydrophobicContact CG-CE2 4.15Å; F24-F34 AromaticContact CG-CZ 3.77Å; F24-F34 HydrophobicContact CG-CZ 3.77Å; F24-F34 AromaticContact CZ-CE2 3.63Å; F24-F34 HydrophobicContact CZ-CE2 3.63Å; F24-F34 HydrophobicContact CZ-CZ 4.23Å; I32-F34 HydrophobicContact CG2-CD2 4.37Å; I32-F34 HydrophobicContact CG2-CE2 3.71Å; I32-F34 HydrophobicContact CG2-CZ 3.8Å; F34-S93 CarbonylContact O-C 3.58Å; F34-S93 VanDerWaalsContact O-CA 3.32Å; F34-S93 WeakPolarHBondContact O-CA 3.29Å; F34-F94 PolarHBondContact N-O 3.32Å; F34-F94 PolarHBondContact O-N 2.84Å; F34-F96 AromaticContact CD2-CD2 3.89Å; F34-F96 HydrophobicContact CD2-CD2 3.89Å; F34-F96 AromaticContact CD2-CE2 3.71Å; F34-F96 HydrophobicContact CD2-CE2 3.71Å; F34-F96 HydrophobicContact CE2-CD2 4.01Å; F34-F96 HydrophobicContact CE2-CE2 4.06Å; F34-F110 HydrophobicContact CB-CZ 4.05Å; F34-F110 HydrophobicContact CD1-CE1 4.38Å; F34-F110 AromaticContact CD1-CZ 3.96Å; F34-F110 HydrophobicContact CD1-CZ 3.96Å; F34-F110 AromaticContact CD2-CE1 3.75Å; F34-F110 HydrophobicContact CD2-CE1 3.75Å; F34-F110 AromaticContact CD2-CZ 3.73Å; F34-F110 HydrophobicContact CD2-CZ 3.73Å; F34-F110 HydrophobicContact CE1-CE1 4.36Å; F34-F110 HydrophobicContact CE1-CZ 4.36Å; F34-F110 AromaticContact CE2-CE1 3.72Å; F34-F110 HydrophobicContact CE2-CE1 3.72Å; F34-F110 HydrophobicContact CE2-CZ 4.14Å; F34-F110 HydrophobicContact CG-CE1 4.08Å; F34-F110 AromaticContact CG-CZ 3.62Å; F34-F110 HydrophobicContact CG-CZ 3.62Å; F34-F110 HydrophobicContact CZ-CE1 4.03Å; F34-F110 HydrophobicContact CZ-CZ 4.43Å
35Y95Very high93.6Very high147 Ų14762.6 Ų62.658%0.57633%0.332SS*.EExtended strand (participates in β ladder)trans-127.9127-173.9-62.2-88000109.5C33 T91 Y92 S93C33-Y35 HydrophobicContact CB-CE2 3.92Å; Y35-T91 HydrophobicContact CD1-CG2 4.22Å; Y35-T91 HydrophobicContact CG-CG2 4.47Å; Y35-Y92 VanDerWaalsContact CA-O 3.29Å; Y35-Y92 WeakPolarHBondContact CA-O 3.46Å; Y35-S93 VanDerWaalsContact CE1-CB 3.49Å
36E92.7Very high93.6Very high69 Ų6957.2 Ų57.232%0.32231%0.307SS..EExtended strand (participates in β ladder)trans-134.3135.2-178.5-172.563-157.500110.3L38 T91 Y92 F94 I112E36-L38 HydrophobicContact CG-CD2 3.84Å; E36-L38 PolarHBondContact O-N 3.03Å; E36-T91 WeakPolarHBondContact O-CA 3.41Å; E36-Y92 PolarHBondContact N-O 3.16Å; E36-Y92 PolarHBondContact O-N 2.93Å; E36-F94 HydrophobicContact CB-CE2 4.13Å; E36-I112 HydrophobicContact CB-CD1 4.16Å; E36-I112 HydrophobicContact CG-CD1 4.43Å
37D92.7Very high93.5Very high111 Ų11158 Ų5859%0.59431%0.313SS*.EExtended strand (participates in β ladder)trans-85.4110.8177.2-75.6-34.2000110.4T91D37-T91 VanDerWaalsContact OD1-CA 3.3Å; D37-T91 WeakPolarHBondContact OD1-CA 3.28Å; D37-T91 VanDerWaalsContact OD1-CB 3.28Å; D37-T91 WeakPolarHBondContact OD1-CB 3.4Å; D37-T91 PolarHBondContact OD1-N 2.78Å; D37-T91 PolarHBondContact OD1-OG1 2.66Å
38L92.3Very high93.6Very high8 Ų856 Ų564%0.04230%0.3CS..EExtended strand (participates in β ladder)trans-104.9141-178.4-57.6179.2000112E36 Y44 F83 T85 G90 Y92 F94 I112E36-L38 HydrophobicContact CG-CD2 3.84Å; E36-L38 PolarHBondContact O-N 3.03Å; L38-Y44 HydrophobicContact CB-CE2 4.22Å; L38-Y44 HydrophobicContact CD1-CD2 4.14Å; L38-Y44 HydrophobicContact CD1-CE2 4.4Å; L38-Y44 HydrophobicContact CD1-CG 4.32Å; L38-Y44 HydrophobicContact CD2-CD1 4.28Å; L38-Y44 HydrophobicContact CD2-CE1 3.96Å; L38-Y44 HydrophobicContact CD2-CE2 4.22Å; L38-F83 HydrophobicContact CD1-CE2 3.74Å; L38-F83 HydrophobicContact CD1-CZ 3.79Å; L38-T85 HydrophobicContact CB-CG2 3.81Å; L38-T85 HydrophobicContact CD1-CG2 3.98Å; L38-G90 PolarHBondContact N-O 3.19Å; L38-G90 PolarHBondContact O-N 3.28Å; L38-Y92 HydrophobicContact CB-CD2 3.76Å; L38-Y92 HydrophobicContact CB-CE2 3.93Å; L38-Y92 HydrophobicContact CD1-CD1 4.35Å; L38-Y92 HydrophobicContact CD1-CD2 3.72Å; L38-Y92 HydrophobicContact CD1-CE2 4.25Å; L38-Y92 HydrophobicContact CD1-CG 3.81Å; L38-Y92 HydrophobicContact CG-CD2 3.87Å; L38-Y92 HydrophobicContact CG-CE2 4.47Å; L38-Y92 HydrophobicContact CG-CG 4.34Å; L38-F94 HydrophobicContact CD1-CZ 4.38Å; L38-I112 HydrophobicContact CD2-CG2 4.37Å
39P90.6Very high93.7Very high45 Ų4554.9 Ų54.929%0.29229%0.292SS..  trans-67.6154.2174.429.8-37000112.1K42 Y44 T85P39-K42 HydrophobicContact CB-CD 4.47Å; P39-K42 HydrophobicContact CG-CB 4.49Å; P39-K42 HydrophobicContact CG-CD 3.73Å; P39-K42 HydrophobicContact CG-CG 4.22Å; P39-Y44 WeakPolarHBondContact CD-OH 3.14Å; P39-Y44 HydrophobicContact CG-CE2 4.26Å; P39-Y44 WeakPolarHBondContact CG-OH 3.49Å; P39-T85 WeakPolarHBondContact O-CB 3.44Å; P39-T85 PolarHBondContact O-OG1 3.35Å
40A92.2Very high93.8Very high35 Ų3549.7 Ų49.729%0.28926%0.264SS..THydrogen-bonded Turntrans-66.3144.1-17800000113.4K42 I86 N89A40-K42 VanDerWaalsContact C-N 3.25Å; A40-K42 PolarHBondContact O-N 3.33Å; A40-I86 WeakPolarHBondContact CA-O 3.41Å; A40-N89 WeakPolarHBondContact CB-OD1 3.3Å; A40-N89 PolarHBondContact N-OD1 2.77Å
41S91.3Very high93.7Very high79 Ų7945.7 Ų45.755%0.55225%0.246SC*.THydrogen-bonded Turntrans54.433170.1-59.60000115.7T85 I86 P87S41-T85 PolarHBondContact N-OG1 3.32Å; S41-I86 PolarHBondContact N-O 3.24Å; S41-I86 VanDerWaalsContact N-O 3.16Å; S41-P87 WeakPolarHBondContact OG-CA 3.14Å
42K90.8Very high93.5Very high69 Ų6945.7 Ų45.730%0.324%0.236SC..  trans-108.6157.2172-74-158-177.3-178.90110.9P39 A40 Y44 T85 E122P39-K42 HydrophobicContact CB-CD 4.47Å; P39-K42 HydrophobicContact CG-CB 4.49Å; P39-K42 HydrophobicContact CG-CD 3.73Å; P39-K42 HydrophobicContact CG-CG 4.22Å; A40-K42 VanDerWaalsContact C-N 3.25Å; A40-K42 PolarHBondContact O-N 3.33Å; K42-Y44 HydrophobicContact CB-CD2 4.3Å; K42-Y44 HydrophobicContact CB-CE2 3.67Å; K42-T85 PolarHBondContact N-OG1 3.38Å; K42-T85 PolarHBondContact O-N 3.35Å; K42-T85 PolarHBondContact O-OG1 3.24Å; K42-E122 IonicContact NZ-OE1 3.45Å; K42-E122 PolarHBondContact NZ-OE1 3.29Å
43K93.3Very high93.1Very high105 Ų10543.7 Ų43.746%0.45723%0.226SC..EExtended strand (participates in β ladder)trans-101.8135.3175.7-62.4-168.8-1781770110.4T84 E115K43-T84 HydrophobicContact CG-CG2 4.13Å; K43-E115 HydrophobicContact CB-CB 3.9Å; K43-E115 VanDerWaalsContact CB-OE2 3.32Å; K43-E115 WeakPolarHBondContact CB-OE2 3.3Å; K43-E115 WeakPolarHBondContact CD-OE2 3.43Å; K43-E115 IonicContact NZ-OE2 3.83Å; K43-E115 PolarHBondContact NZ-OE2 3.42Å; K43-E115 PolarHBondContact O-N 2.77Å
44Y93.9Very high92.6Very high17 Ų1744.6 Ų44.67%0.06724%0.243CC..EExtended strand (participates in β ladder)trans-128151-179.1-75.6-89.7000110L38 P39 K42 T82 F83 T85 I112 R113 P114L38-Y44 HydrophobicContact CB-CE2 4.22Å; L38-Y44 HydrophobicContact CD1-CD2 4.14Å; L38-Y44 HydrophobicContact CD1-CE2 4.4Å; L38-Y44 HydrophobicContact CD1-CG 4.32Å; L38-Y44 HydrophobicContact CD2-CD1 4.28Å; L38-Y44 HydrophobicContact CD2-CE1 3.96Å; L38-Y44 HydrophobicContact CD2-CE2 4.22Å; P39-Y44 WeakPolarHBondContact CD-OH 3.14Å; P39-Y44 HydrophobicContact CG-CE2 4.26Å; P39-Y44 WeakPolarHBondContact CG-OH 3.49Å; K42-Y44 HydrophobicContact CB-CD2 4.3Å; K42-Y44 HydrophobicContact CB-CE2 3.67Å; Y44-T82 WeakPolarHBondContact O-CA 3.48Å; Y44-F83 HydrophobicContact CG-CZ 4.45Å; Y44-F83 PolarHBondContact N-O 2.94Å; Y44-F83 PolarHBondContact O-N 3.31Å; Y44-T85 HydrophobicContact CD2-CG2 3.69Å; Y44-T85 HydrophobicContact CE2-CG2 3.88Å; Y44-I112 HydrophobicContact CD1-CG2 3.91Å; Y44-R113 CarbonylContact C-O 3.58Å; Y44-R113 VanDerWaalsContact CA-O 3.32Å; Y44-R113 WeakPolarHBondContact CA-O 3.42Å; Y44-R113 WeakPolarHBondContact CD1-O 3.47Å; Y44-P114 HydrophobicContact CE1-CB 4.41Å; Y44-P114 HydrophobicContact CE1-CG 4.04Å
45V93.4Very high92.1Very high10 Ų1048.9 Ų48.96%0.06126%0.264CS..EExtended strand (participates in β ladder)trans-112.2118.5168.8-175.40000107.3D80 T82 R113 E115V45-D80 HydrophobicContact CG1-CB 3.98Å; V45-T82 HydrophobicContact CG2-CG2 4.41Å; V45-R113 HydrophobicContact CB-CG 4.05Å; V45-R113 PolarHBondContact N-O 3.44Å; V45-R113 PolarHBondContact O-N 3.44Å; V45-E115 HydrophobicContact CG2-CB 4.04Å; V45-E115 HydrophobicContact CG2-CG 4.15Å
46F95.4Very high91.9Very high0 Ų045.1 Ų45.10%026%0.257CS..EExtended strand (participates in β ladder)trans-93.4116.1166.8168.6-96000108.1Y48 I60 I62 I81 F83 F94 F96 F110 I112F46-Y48 HydrophobicContact CD1-CD1 4.17Å; F46-Y48 AromaticContact CE1-CD1 3.57Å; F46-Y48 HydrophobicContact CE1-CD1 3.57Å; F46-Y48 HydrophobicContact CE1-CE1 4.45Å; F46-Y48 HydrophobicContact CE1-CG 4.13Å; F46-Y48 HydrophobicContact CZ-CD1 4.4Å; F46-I60 HydrophobicContact CE1-CD1 4.14Å; F46-I60 HydrophobicContact CE1-CG2 3.87Å; F46-I60 HydrophobicContact CZ-CD1 4.46Å; F46-I60 HydrophobicContact CZ-CG2 4.14Å; F46-I62 HydrophobicContact CB-CD1 4.16Å; F46-I62 HydrophobicContact CD1-CD1 3.73Å; F46-I62 HydrophobicContact CE1-CD1 4.3Å; F46-I62 HydrophobicContact CG-CD1 4Å; F46-I81 HydrophobicContact CD1-CB 4.28Å; F46-I81 HydrophobicContact CD1-CD1 4Å; F46-I81 HydrophobicContact CD1-CG1 4.36Å; F46-I81 HydrophobicContact CE1-CD1 4.32Å; F46-I81 PolarHBondContact N-O 3.17Å; F46-I81 PolarHBondContact O-N 2.91Å; F46-F83 HydrophobicContact CB-CD1 4.43Å; F46-F83 HydrophobicContact CB-CE1 3.87Å; F46-F94 HydrophobicContact CB-CD1 4.5Å; F46-F94 HydrophobicContact CB-CE1 4.16Å; F46-F94 AromaticContact CD2-CD1 3.38Å; F46-F94 HydrophobicContact CD2-CD1 3.38Å; F46-F94 AromaticContact CD2-CE1 3.75Å; F46-F94 HydrophobicContact CD2-CE1 3.75Å; F46-F94 HydrophobicContact CD2-CG 4.23Å; F46-F94 HydrophobicContact CE2-CB 4.11Å; F46-F94 AromaticContact CE2-CD1 3.63Å; F46-F94 HydrophobicContact CE2-CD1 3.63Å; F46-F94 HydrophobicContact CE2-CE1 4.44Å; F46-F94 HydrophobicContact CE2-CG 4.13Å; F46-F94 AromaticContact CG-CD1 3.98Å; F46-F94 HydrophobicContact CG-CD1 3.98Å; F46-F94 HydrophobicContact CG-CE1 4.14Å; F46-F94 HydrophobicContact CZ-CD1 4.4Å; F46-F96 AromaticContact CE2-CZ 3.86Å; F46-F96 HydrophobicContact CE2-CZ 3.86Å; F46-F96 AromaticContact CZ-CE1 3.81Å; F46-F96 HydrophobicContact CZ-CE1 3.81Å; F46-F96 HydrophobicContact CZ-CE2 4.36Å; F46-F96 AromaticContact CZ-CZ 3.45Å; F46-F96 HydrophobicContact CZ-CZ 3.45Å; F46-F96 VanDerWaalsContact CZ-CZ 3.45Å; F46-F110 HydrophobicContact CE2-CB 4.04Å; F46-F110 AromaticContact CE2-CD2 3.92Å; F46-F110 HydrophobicContact CE2-CD2 3.92Å; F46-F110 HydrophobicContact CE2-CG 4.26Å; F46-F110 HydrophobicContact CZ-CB 4.32Å; F46-I112 HydrophobicContact CD2-CG1 3.91Å
47S93.9Very high91.9Very high17 Ų1742.9 Ų42.912%0.11925%0.247CC..EExtended strand (participates in β ladder)trans-111133.8180-172.30000108.6D80 F110 E111S47-D80 WeakPolarHBondContact CA-OD1 3.32Å; S47-D80 WeakPolarHBondContact CB-OD1 3.33Å; S47-D80 PolarHBondContact OG-OD1 2.94Å; S47-F110 CarbonylContact O-C 3.54Å; S47-F110 WeakPolarHBondContact O-CA 3.42Å; S47-F110 WeakPolarHBondContact O-CB 3.32Å; S47-E111 PolarHBondContact N-O 3.34Å; S47-E111 PolarHBondContact O-N 2.83Å
48Y95Very high92Very high2 Ų237.6 Ų37.61%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-138.3149.6173.973.7-82.5000110.6F46 V58 I60 G76 D78 D79 I81 Y109F46-Y48 HydrophobicContact CD1-CD1 4.17Å; F46-Y48 AromaticContact CE1-CD1 3.57Å; F46-Y48 HydrophobicContact CE1-CD1 3.57Å; F46-Y48 HydrophobicContact CE1-CE1 4.45Å; F46-Y48 HydrophobicContact CE1-CG 4.13Å; F46-Y48 HydrophobicContact CZ-CD1 4.4Å; Y48-V58 HydrophobicContact CD2-CG1 4.16Å; Y48-V58 HydrophobicContact CE2-CG1 3.97Å; Y48-I60 HydrophobicContact CD1-CD1 3.41Å; Y48-I60 VanDerWaalsContact CD1-CD1 3.41Å; Y48-I60 HydrophobicContact CD2-CD1 3.37Å; Y48-I60 HydrophobicContact CE1-CD1 3.48Å; Y48-I60 VanDerWaalsContact CE1-CD1 3.48Å; Y48-I60 HydrophobicContact CE2-CD1 3.47Å; Y48-I60 VanDerWaalsContact CE2-CD1 3.47Å; Y48-I60 HydrophobicContact CG-CD1 3.34Å; Y48-G76 WeakPolarHBondContact OH-CA 3.36Å; Y48-D78 WeakPolarHBondContact O-CA 3.38Å; Y48-D78 VanDerWaalsContact O-OD1 3.08Å; Y48-D79 WeakPolarHBondContact CD1-O 2.81Å; Y48-D79 HydrophobicContact CE1-CB 3.6Å; Y48-D79 PolarHBondContact N-O 2.86Å; Y48-D79 PolarHBondContact O-N 3.02Å; Y48-D79 WeakPolarHBondContact OH-CB 3.43Å; Y48-I81 HydrophobicContact CE1-CD1 4.18Å; Y48-Y109 CarbonylContact C-O 3.59Å; Y48-Y109 VanDerWaalsContact CA-O 3.26Å; Y48-Y109 WeakPolarHBondContact CA-O 3.34Å
49H94.9Very high92.3Very high45 Ų4539 Ų3921%0.20823%0.226CC..EExtended strand (participates in β ladder)trans-144122.6177.8-176.285.1000109.4I51 D78 Y109H49-I51 PolarHBondContact O-N 2.98Å; H49-D78 IonicContact CE1-OD2 3.87Å; H49-D78 VanDerWaalsContact ND1-CG 3.26Å; H49-D78 IonicContact ND1-OD1 3.45Å; H49-D78 IonicContact ND1-OD2 3.51Å; H49-D78 PolarHBondContact ND1-OD2 3.06Å; H49-Y109 PolarHBondContact N-O 3.1Å; H49-Y109 PolarHBondContact O-N 3.46Å
50V94.7Very high92.6Very high6 Ų636.9 Ų36.94%0.03621%0.212CC..EExtended strand (participates in β ladder)trans-79.9101.7172.5-174.80000108.3T56 V58 S77 K106 I108V50-T56 HydrophobicContact CG1-CG2 4.32Å; V50-V58 HydrophobicContact CG2-CB 4.2Å; V50-V58 HydrophobicContact CG2-CG1 3.64Å; V50-S77 WeakPolarHBondContact CG2-O 3.45Å; V50-S77 PolarHBondContact N-O 3.35Å; V50-K106 HydrophobicContact CG1-CB 4.38Å; V50-I108 HydrophobicContact CG2-CG1 4.33Å
51I92.4Very high92.9Very high12 Ų1236.9 Ų36.96%0.06221%0.209CC..EExtended strand (participates in β ladder)trans-67.8-45.5-176.2-64.3173000111T23 H49 L107 Y162 L166T23-I51 HydrophobicContact CG2-CD1 3.72Å; H49-I51 PolarHBondContact O-N 2.98Å; I51-L107 HydrophobicContact CB-CB 4.41Å; I51-L107 HydrophobicContact CB-CD2 4.16Å; I51-L107 HydrophobicContact CB-CG 4.31Å; I51-L107 HydrophobicContact CD1-CD2 4.19Å; I51-L107 HydrophobicContact CD1-CG 4.32Å; I51-L107 HydrophobicContact CG2-CD2 3.98Å; I51-L107 PolarHBondContact N-O 2.87Å; I51-Y162 HydrophobicContact CD1-CD1 4.48Å; I51-Y162 HydrophobicContact CG2-CD1 4.05Å; I51-L166 HydrophobicContact CG2-CD1 4.27Å
52H91.2Very high93.2Very high39 Ų3933.1 Ų33.118%0.18118%0.182CC..EExtended strand (participates in β ladder)trans-154.4157.4-171.4-171.278.8000111.3K106 L107 L166 V167 D170H52-K106 CarbonylContact O-C 3.54Å; H52-K106 WeakPolarHBondContact O-CA 3.35Å; H52-L107 HydrophobicContact CB-CB 4.17Å; H52-L107 PolarHBondContact N-O 2.99Å; H52-L107 PolarHBondContact O-N 3.18Å; H52-L166 HydrophobicContact CB-CD1 4.03Å; H52-V167 WeakPolarHBondContact ND1-CG2 3.49Å; H52-D170 IonicContact CE1-OD2 2.76Å; H52-D170 PolarHBondContact CE1-OD2 3.12Å; H52-D170 IonicContact NE2-OD2 3.32Å; H52-D170 PolarHBondContact NE2-OD2 2.8Å
53G87.9Confident93.5Very high5 Ų532.7 Ų32.75%0.05218%0.18CC..SBendtrans123.4112.1173.500000112.6Q55 H105G53-Q55 CarbonylContact O-C 3.17Å; G53-Q55 PolarHBondContact O-N 3.07Å; G53-Q55 VanDerWaalsContact O-N 3.16Å; G53-Q55 VanDerWaalsContact O-O 3.06Å; G53-H105 VanDerWaalsContact CA-O 3.28Å; G53-H105 WeakPolarHBondContact CA-O 3.37Å
54G84.2Confident93.6Very high66 Ų6628.2 Ų28.268%0.6816%0.162SC*.SBendtrans37.2-114.817000000114.9
55Q87.2Confident93.7Very high139 Ų13929.5 Ų29.565%0.6517%0.172SC*.SBendtrans-85.2125163.5-71.6178.3-34.400108.4G53 D57 K106G53-Q55 CarbonylContact O-C 3.17Å; G53-Q55 PolarHBondContact O-N 3.07Å; G53-Q55 VanDerWaalsContact O-N 3.16Å; G53-Q55 VanDerWaalsContact O-O 3.06Å; Q55-D57 PolarHBondContact O-N 2.84Å; Q55-K106 WeakPolarHBondContact O-CE 2.97Å; Q55-K106 PolarHBondContact O-NZ 3.05Å
56T89.1Confident93.8Very high68 Ų6836.2 Ų36.242%0.41720%0.2SC..  trans-80.254.3-175.356.20000111.7V50 S77V50-T56 HydrophobicContact CG1-CG2 4.32Å; T56-S77 WeakPolarHBondContact O-CA 3.28Å; T56-S77 WeakPolarHBondContact O-CB 3.3Å
57D93.7Very high93.7Very high22 Ų2241.5 Ų41.512%0.11823%0.225CC..  trans-115.5150.1178.358.2-8.7000110.6Q55 R75 G76 F100 K106Q55-D57 PolarHBondContact O-N 2.84Å; D57-R75 HydrophobicContact CB-CB 4.01Å; D57-R75 WeakPolarHBondContact OD2-CD 3.37Å; D57-R75 IonicContact OD2-CZ 3.78Å; D57-R75 IonicContact OD2-NH1 2.78Å; D57-R75 PolarHBondContact OD2-NH1 3.4Å; D57-G76 CarbonylContact C-O 3.49Å; D57-G76 WeakPolarHBondContact CA-O 3.19Å; D57-F100 HydrophobicContact CB-CZ 4.32Å; D57-F100 VanDerWaalsContact CG-CE2 3.49Å; D57-F100 WeakPolarHBondContact O-CZ 3.37Å; D57-F100 WeakPolarHBondContact OD1-CE2 3.16Å; D57-F100 WeakPolarHBondContact OD1-CZ 3.45Å; D57-F100 WeakPolarHBondContact OD2-CE2 3.43Å; D57-K106 WeakPolarHBondContact O-CD 3.31Å; D57-K106 VanDerWaalsContact O-CE 3.24Å; D57-K106 WeakPolarHBondContact O-CE 3.27Å; D57-K106 PolarHBondContact O-NZ 2.98Å; D57-K106 IonicContact OD1-NZ 3.79Å; D57-K106 PolarHBondContact OD1-NZ 2.95Å
58V95.7Very high93.8Very high0 Ų044.8 Ų44.80%024%0.244CC..EExtended strand (participates in β ladder)trans-150.8146.7174.961.40000109.3L26 Y48 V50 I60 R75 G76 F96 S97 I108L26-V58 HydrophobicContact CD2-CG2 3.97Å; Y48-V58 HydrophobicContact CD2-CG1 4.16Å; Y48-V58 HydrophobicContact CE2-CG1 3.97Å; V50-V58 HydrophobicContact CG2-CB 4.2Å; V50-V58 HydrophobicContact CG2-CG1 3.64Å; V58-I60 HydrophobicContact CG1-CD1 3.86Å; V58-I60 HydrophobicContact CG1-CG1 3.93Å; V58-I60 HydrophobicContact CG2-CG1 4.38Å; V58-R75 PolarHBondContact O-N 3.22Å; V58-G76 WeakPolarHBondContact CG1-O 3.38Å; V58-G76 PolarHBondContact N-O 3.19Å; V58-G76 PolarHBondContact O-N 2.55Å; V58-F96 HydrophobicContact CG2-CB 4.19Å; V58-F96 HydrophobicContact CG2-CD1 4.34Å; V58-S97 WeakPolarHBondContact CG2-O 3.33Å; V58-I108 HydrophobicContact CB-CD1 4.21Å; V58-I108 HydrophobicContact CG1-CD1 4.39Å; V58-I108 HydrophobicContact CG2-CD1 3.79Å
59D97.1Very high93.9Very high37 Ų3749.4 Ų49.420%0.19827%0.268CS..EExtended strand (participates in β ladder)trans-92.3128172.7-64.1-22.4000108.9V73 E74 R75 F96 S97 F100D59-V73 CarbonylContact C-O 3.6Å; D59-V73 WeakPolarHBondContact CA-O 3.36Å; D59-E74 WeakPolarHBondContact OD1-CA 3.37Å; D59-R75 WeakPolarHBondContact OD1-CD 3.36Å; D59-R75 PolarHBondContact OD1-N 3.42Å; D59-R75 IonicContact OD1-NE 3.84Å; D59-F96 CarbonylContact O-C 3.6Å; D59-F96 WeakPolarHBondContact O-CA 3.48Å; D59-S97 PolarHBondContact N-O 3.26Å; D59-S97 VanDerWaalsContact N-O 3.13Å; D59-S97 PolarHBondContact O-N 2.95Å; D59-F100 WeakPolarHBondContact OD2-CD1 3.09Å
60I97.4Very high93.9Very high1 Ų150.5 Ų50.51%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-125.5130-175.6-59176.9000110.1F46 Y48 V58 I62 N72 V73 C95 F96F46-I60 HydrophobicContact CE1-CD1 4.14Å; F46-I60 HydrophobicContact CE1-CG2 3.87Å; F46-I60 HydrophobicContact CZ-CD1 4.46Å; F46-I60 HydrophobicContact CZ-CG2 4.14Å; Y48-I60 HydrophobicContact CD1-CD1 3.41Å; Y48-I60 VanDerWaalsContact CD1-CD1 3.41Å; Y48-I60 HydrophobicContact CD2-CD1 3.37Å; Y48-I60 HydrophobicContact CE1-CD1 3.48Å; Y48-I60 VanDerWaalsContact CE1-CD1 3.48Å; Y48-I60 HydrophobicContact CE2-CD1 3.47Å; Y48-I60 VanDerWaalsContact CE2-CD1 3.47Å; Y48-I60 HydrophobicContact CG-CD1 3.34Å; V58-I60 HydrophobicContact CG1-CD1 3.86Å; V58-I60 HydrophobicContact CG1-CG1 3.93Å; V58-I60 HydrophobicContact CG2-CG1 4.38Å; I60-I62 HydrophobicContact CG2-CG1 4.28Å; I60-N72 WeakPolarHBondContact O-CA 3.08Å; I60-V73 HydrophobicContact CB-CB 4.36Å; I60-V73 PolarHBondContact N-O 2.92Å; I60-V73 PolarHBondContact O-N 3.25Å; I60-C95 CarbonylContact C-O 3.6Å; I60-C95 VanDerWaalsContact CA-O 3.28Å; I60-C95 WeakPolarHBondContact CA-O 3.03Å; I60-F96 HydrophobicContact CD1-CD1 3.96Å; I60-F96 HydrophobicContact CD1-CE1 3.87Å; I60-F96 HydrophobicContact CG1-CD1 3.85Å; I60-F96 HydrophobicContact CG1-CE1 4.22Å
61V97.8Very high93.9Very high35 Ų3551.5 Ų51.521%0.21228%0.282CS..EExtended strand (participates in β ladder)trans-125.5117.5175.6-174.60000109.5K63 I69 C95V61-K63 HydrophobicContact CG1-CD 4.48Å; V61-K63 HydrophobicContact CG1-CG 3.97Å; V61-I69 HydrophobicContact CG1-CD1 4.49Å; V61-I69 HydrophobicContact CG1-CG1 4.08Å; V61-I69 HydrophobicContact CG1-CG2 4.22Å; V61-C95 HydrophobicContact CB-CB 4.4Å; V61-C95 PolarHBondContact N-O 3.04Å; V61-C95 PolarHBondContact O-N 3.25Å
62I97.6Very high94.1Very high0 Ų055 Ų550%030%0.301CS..EExtended strand (participates in β ladder)trans-100.4126.9173.7-55.4170.8000108.2F46 I60 I70 S71 I81 S93 F94F46-I62 HydrophobicContact CB-CD1 4.16Å; F46-I62 HydrophobicContact CD1-CD1 3.73Å; F46-I62 HydrophobicContact CE1-CD1 4.3Å; F46-I62 HydrophobicContact CG-CD1 4Å; I60-I62 HydrophobicContact CG2-CG1 4.28Å; I62-I70 HydrophobicContact CB-CB 4.46Å; I62-I70 HydrophobicContact CG2-CB 4.31Å; I62-I70 HydrophobicContact CG2-CD1 4.16Å; I62-I70 PolarHBondContact O-N 3.37Å; I62-S71 PolarHBondContact N-O 3.36Å; I62-S71 PolarHBondContact O-N 3.26Å; I62-I81 HydrophobicContact CD1-CB 4.25Å; I62-I81 HydrophobicContact CD1-CD1 3.98Å; I62-I81 HydrophobicContact CD1-CG2 3.95Å; I62-S93 WeakPolarHBondContact CA-O 3.27Å; I62-F94 HydrophobicContact CD1-CD1 4.29Å; I62-F94 HydrophobicContact CD1-CE1 4.41Å; I62-F94 HydrophobicContact CG1-CD1 3.92Å; I62-F94 HydrophobicContact CG1-CE1 4.36Å; I62-F94 HydrophobicContact CG2-CD1 4.01Å; I62-F94 HydrophobicContact CG2-CE1 3.82Å
63K97.5Very high94.4Very high60 Ų6054.4 Ų54.426%0.26130%0.3SS..EExtended strand (participates in β ladder)trans-124.2147.1176.7-49.6175.4-179.31710112V61 V68 I69 Y92 S93V61-K63 HydrophobicContact CG1-CD 4.48Å; V61-K63 HydrophobicContact CG1-CG 3.97Å; K63-V68 VanDerWaalsContact CA-O 3.27Å; K63-V68 WeakPolarHBondContact CA-O 3.28Å; K63-I69 HydrophobicContact CG-CG1 4.28Å; K63-Y92 WeakPolarHBondContact O-CA 3.45Å; K63-S93 WeakPolarHBondContact CB-OG 3.39Å; K63-S93 PolarHBondContact N-O 2.94Å; K63-S93 PolarHBondContact O-N 3.31Å
64D95.8Very high94.8Very high12 Ų1261.2 Ų61.26%0.06433%0.331CS..  trans-77.2173.5173.587.2-16.4000111.7K66 Q67 V68 I70 Y92D64-K66 PolarHBondContact O-N 2.97Å; D64-K66 VanDerWaalsContact O-N 3.07Å; D64-K66 WeakPolarHBondContact OD1-CA 3.48Å; D64-K66 WeakPolarHBondContact OD1-CB 3.49Å; D64-K66 PolarHBondContact OD1-N 3.07Å; D64-Q67 WeakPolarHBondContact O-CA 3.1Å; D64-Q67 PolarHBondContact O-N 2.83Å; D64-Q67 PolarHBondContact OD1-N 3.37Å; D64-V68 PolarHBondContact N-O 3.43Å; D64-V68 WeakPolarHBondContact OD1-CB 3.44Å; D64-V68 PolarHBondContact OD1-N 3.5Å; D64-I70 HydrophobicContact CB-CD1 3.83Å; D64-I70 HydrophobicContact CB-CG1 4.1Å; D64-Y92 HydrophobicContact CB-CD1 4.47Å; D64-Y92 HydrophobicContact CB-CE1 3.97Å
65P95.7Very high95.2Very high43 Ų4363.9 Ų63.928%0.27932%0.32SS..THydrogen-bonded Turntrans-60.4-18176.5-24.333.9000114.5Q67 I86 T91 Y92P65-Q67 VanDerWaalsContact C-N 3.33Å; P65-I86 HydrophobicContact CB-CD1 4.47Å; P65-I86 HydrophobicContact CG-CD1 4.11Å; P65-T91 VanDerWaalsContact CA-O 3.27Å; P65-T91 WeakPolarHBondContact CA-O 3.17Å; P65-T91 WeakPolarHBondContact CG-O 3.5Å; P65-Y92 HydrophobicContact CG-CD2 4.03Å; P65-Y92 HydrophobicContact CG-CE2 3.74Å
66K94.4Very high95.5Very high151 Ų15157.7 Ų57.766%0.65729%0.294SS*.THydrogen-bonded Turntrans-938.7175.1-59.6177.7-178.9173.70112.4D64 V68 I86D64-K66 PolarHBondContact O-N 2.97Å; D64-K66 VanDerWaalsContact O-N 3.07Å; D64-K66 WeakPolarHBondContact OD1-CA 3.48Å; D64-K66 WeakPolarHBondContact OD1-CB 3.49Å; D64-K66 PolarHBondContact OD1-N 3.07Å; K66-V68 HydrophobicContact CB-CG2 4.23Å; K66-V68 PolarHBondContact O-N 3.38Å; K66-I86 HydrophobicContact CG-CD1 4.48Å
67Q93.9Very high95.8Very high111 Ų11157.3 Ų57.352%0.51929%0.294SS..  trans63.821.2-177.8-58.7-64.6-57.300114.4D64 P65D64-Q67 WeakPolarHBondContact O-CA 3.1Å; D64-Q67 PolarHBondContact O-N 2.83Å; D64-Q67 PolarHBondContact OD1-N 3.37Å; P65-Q67 VanDerWaalsContact C-N 3.33Å
68V96Very high95.8Very high87 Ų8760 Ų6053%0.52731%0.308SS..  trans-80.8129.4172.1-177.70000108.8K63 D64 K66 I70K63-V68 VanDerWaalsContact CA-O 3.27Å; K63-V68 WeakPolarHBondContact CA-O 3.28Å; D64-V68 PolarHBondContact N-O 3.43Å; D64-V68 WeakPolarHBondContact OD1-CB 3.44Å; D64-V68 PolarHBondContact OD1-N 3.5Å; K66-V68 HydrophobicContact CB-CG2 4.23Å; K66-V68 PolarHBondContact O-N 3.38Å; V68-I70 PolarHBondContact O-N 3.19Å
69I97Very high95.7Very high98 Ų9863.7 Ų63.750%0.50333%0.328SS..EExtended strand (participates in β ladder)trans-68.3120.9176.6-62.4167000108.7V61 K63 N72V61-I69 HydrophobicContact CG1-CD1 4.49Å; V61-I69 HydrophobicContact CG1-CG1 4.08Å; V61-I69 HydrophobicContact CG1-CG2 4.22Å; K63-I69 HydrophobicContact CG-CG1 4.28Å; I69-N72 HydrophobicContact CG2-CB 4.07Å
70I95.2Very high95.6Very high68 Ų6865.4 Ų65.435%0.34934%0.337SS..EExtended strand (participates in β ladder)trans-89.9-47.2177.1-57.3177.2000109.7I62 D64 V68 F83 Y92I62-I70 HydrophobicContact CB-CB 4.46Å; I62-I70 HydrophobicContact CG2-CB 4.31Å; I62-I70 HydrophobicContact CG2-CD1 4.16Å; I62-I70 PolarHBondContact O-N 3.37Å; D64-I70 HydrophobicContact CB-CD1 3.83Å; D64-I70 HydrophobicContact CB-CG1 4.1Å; V68-I70 PolarHBondContact O-N 3.19Å; I70-F83 HydrophobicContact CD1-CD2 4.26Å; I70-F83 HydrophobicContact CG2-CB 3.71Å; I70-F83 HydrophobicContact CG2-CG 4.37Å; I70-Y92 HydrophobicContact CD1-CD1 3.7Å; I70-Y92 HydrophobicContact CD1-CE1 3.44Å; I70-Y92 VanDerWaalsContact CD1-CE1 3.44Å
71S95.6Very high95.5Very high27 Ų2766.1 Ų66.119%0.18934%0.341CS..EExtended strand (participates in β ladder)trans-140140.7178-170.50000109.4I62I62-S71 PolarHBondContact N-O 3.36Å; I62-S71 PolarHBondContact O-N 3.26Å
72N96.9Very high95.4Very high87 Ų8768 Ų6847%0.46535%0.353SS..EExtended strand (participates in β ladder)trans-132.2113.3172.5-177.219.9000107.4I60 I69I60-N72 WeakPolarHBondContact O-CA 3.08Å; I69-N72 HydrophobicContact CG2-CB 4.07Å
73V96.7Very high95.2Very high26 Ų2668.5 Ų68.516%0.15836%0.355CS..EExtended strand (participates in β ladder)trans-111.6124.2177.7179.30000107.5D59 I60 I81D59-V73 CarbonylContact C-O 3.6Å; D59-V73 WeakPolarHBondContact CA-O 3.36Å; I60-V73 HydrophobicContact CB-CB 4.36Å; I60-V73 PolarHBondContact N-O 2.92Å; I60-V73 PolarHBondContact O-N 3.25Å; V73-I81 HydrophobicContact CG2-CD1 3.61Å
74E95.3Very high95.1Very high148 Ų14869.6 Ų69.669%0.69237%0.366SS*.EExtended strand (participates in β ladder)trans-102.7129.8173.7-64.8-179.8-179.200108.4D59 G76D59-E74 WeakPolarHBondContact OD1-CA 3.37Å; E74-G76 VanDerWaalsContact C-N 3.32Å; E74-G76 PolarHBondContact O-N 2.96Å
75R93.4Very high95Very high121 Ų12169.3 Ų69.346%0.45737%0.365SS..EExtended strand (participates in β ladder)trans53.942.3176.7-50.6-50.7-173.8109.72114.9D57 V58 D59D57-R75 HydrophobicContact CB-CB 4.01Å; D57-R75 WeakPolarHBondContact OD2-CD 3.37Å; D57-R75 IonicContact OD2-CZ 3.78Å; D57-R75 IonicContact OD2-NH1 2.78Å; D57-R75 PolarHBondContact OD2-NH1 3.4Å; V58-R75 PolarHBondContact O-N 3.22Å; D59-R75 WeakPolarHBondContact OD1-CD 3.36Å; D59-R75 PolarHBondContact OD1-N 3.42Å; D59-R75 IonicContact OD1-NE 3.84Å
76G94.6Very high94.9Very high10 Ų1068.9 Ų68.910%0.10336%0.36CS..EExtended strand (participates in β ladder)trans-81.4143.4175.200000112.3Y48 D57 V58 E74Y48-G76 WeakPolarHBondContact OH-CA 3.36Å; D57-G76 CarbonylContact C-O 3.49Å; D57-G76 WeakPolarHBondContact CA-O 3.19Å; V58-G76 WeakPolarHBondContact CG1-O 3.38Å; V58-G76 PolarHBondContact N-O 3.19Å; V58-G76 PolarHBondContact O-N 2.55Å; E74-G76 VanDerWaalsContact C-N 3.32Å; E74-G76 PolarHBondContact O-N 2.96Å
77S93.8Very high94.8Very high60 Ų6067.1 Ų67.142%0.4237%0.365SS..SBendtrans-104.5-40.2177.159.40000113.1V50 T56V50-S77 WeakPolarHBondContact CG2-O 3.45Å; V50-S77 PolarHBondContact N-O 3.35Å; T56-S77 WeakPolarHBondContact O-CA 3.28Å; T56-S77 WeakPolarHBondContact O-CB 3.3Å
78D93.5Very high94.7Very high78 Ų7864.2 Ų64.242%0.41736%0.356SS..EExtended strand (participates in β ladder)trans-162.1124.5-174-172.1-0.8000107.2Y48 H49Y48-D78 WeakPolarHBondContact O-CA 3.38Å; Y48-D78 VanDerWaalsContact O-OD1 3.08Å; H49-D78 IonicContact CE1-OD2 3.87Å; H49-D78 VanDerWaalsContact ND1-CG 3.26Å; H49-D78 IonicContact ND1-OD1 3.45Å; H49-D78 IonicContact ND1-OD2 3.51Å; H49-D78 PolarHBondContact ND1-OD2 3.06Å
79D94.8Very high94.6Very high78 Ų7866 Ų6642%0.41736%0.363SS..EExtended strand (participates in β ladder)trans-163.5155.1176.2-167.324.3000111.8Y48Y48-D79 WeakPolarHBondContact CD1-O 2.81Å; Y48-D79 HydrophobicContact CE1-CB 3.6Å; Y48-D79 PolarHBondContact N-O 2.86Å; Y48-D79 PolarHBondContact O-N 3.02Å; Y48-D79 WeakPolarHBondContact OH-CB 3.43Å
80D94.2Very high94.4Very high73 Ų7362 Ų6239%0.3935%0.347SS..EExtended strand (participates in β ladder)trans-110.399.6175.3-90.12000109.5V45 S47 T82 R113V45-D80 HydrophobicContact CG1-CB 3.98Å; S47-D80 WeakPolarHBondContact CA-OD1 3.32Å; S47-D80 WeakPolarHBondContact CB-OD1 3.33Å; S47-D80 PolarHBondContact OG-OD1 2.94Å; D80-T82 PolarHBondContact O-N 3.2Å; D80-R113 IonicContact OD1-NH2 3.24Å; D80-R113 IonicContact OD2-CZ 3.17Å; D80-R113 IonicContact OD2-NH2 2.55Å; D80-R113 PolarHBondContact OD2-NH2 3.47Å
81I95.7Very high94.4Very high15 Ų1561.7 Ų61.78%0.07735%0.348CS..EExtended strand (participates in β ladder)trans-91.3109.5-177.8-53.7175000109.5F46 Y48 I62 V73F46-I81 HydrophobicContact CD1-CB 4.28Å; F46-I81 HydrophobicContact CD1-CD1 4Å; F46-I81 HydrophobicContact CD1-CG1 4.36Å; F46-I81 HydrophobicContact CE1-CD1 4.32Å; F46-I81 PolarHBondContact N-O 3.17Å; F46-I81 PolarHBondContact O-N 2.91Å; Y48-I81 HydrophobicContact CE1-CD1 4.18Å; I62-I81 HydrophobicContact CD1-CB 4.25Å; I62-I81 HydrophobicContact CD1-CD1 3.98Å; I62-I81 HydrophobicContact CD1-CG2 3.95Å; V73-I81 HydrophobicContact CG2-CD1 3.61Å
82T95.4Very high94.4Very high76 Ų7660.4 Ų60.447%0.46634%0.339SS..EExtended strand (participates in β ladder)trans-87.1130.4174.4-520000110.7Y44 V45 D80Y44-T82 WeakPolarHBondContact O-CA 3.48Å; V45-T82 HydrophobicContact CG2-CG2 4.41Å; D80-T82 PolarHBondContact O-N 3.2Å
83F94.7Very high94.4Very high9 Ų956.4 Ų56.44%0.03932%0.317CS..EExtended strand (participates in β ladder)trans-141.5155.4175.466.7-80.2000111.9L38 Y44 F46 I70 T85 Y92 F94L38-F83 HydrophobicContact CD1-CE2 3.74Å; L38-F83 HydrophobicContact CD1-CZ 3.79Å; Y44-F83 HydrophobicContact CG-CZ 4.45Å; Y44-F83 PolarHBondContact N-O 2.94Å; Y44-F83 PolarHBondContact O-N 3.31Å; F46-F83 HydrophobicContact CB-CD1 4.43Å; F46-F83 HydrophobicContact CB-CE1 3.87Å; I70-F83 HydrophobicContact CD1-CD2 4.26Å; I70-F83 HydrophobicContact CG2-CB 3.71Å; I70-F83 HydrophobicContact CG2-CG 4.37Å; F83-T85 HydrophobicContact CE2-CG2 4.39Å; F83-Y92 HydrophobicContact CD2-CE1 4.38Å; F83-Y92 HydrophobicContact CE2-CD1 4.02Å; F83-Y92 HydrophobicContact CE2-CE1 4.1Å; F83-F94 HydrophobicContact CE1-CE1 4.03Å; F83-F94 HydrophobicContact CE1-CZ 4.41Å; F83-F94 AromaticContact CZ-CE1 3.88Å; F83-F94 HydrophobicContact CZ-CE1 3.88Å; F83-F94 AromaticContact CZ-CZ 3.82Å; F83-F94 HydrophobicContact CZ-CZ 3.82Å
84T94.9Very high94.4Very high83 Ų8355.1 Ų55.151%0.50931%0.31SS..EExtended strand (participates in β ladder)trans-108.4134.4177.5-52.50000110K43K43-T84 HydrophobicContact CG-CG2 4.13Å
85T94Very high94.5Very high7 Ų749 Ų494%0.04328%0.283CS..  trans-73.9151.117962.70000111.6L38 P39 S41 K42 Y44 F83 Y92L38-T85 HydrophobicContact CB-CG2 3.81Å; L38-T85 HydrophobicContact CD1-CG2 3.98Å; P39-T85 WeakPolarHBondContact O-CB 3.44Å; P39-T85 PolarHBondContact O-OG1 3.35Å; S41-T85 PolarHBondContact N-OG1 3.32Å; K42-T85 PolarHBondContact N-OG1 3.38Å; K42-T85 PolarHBondContact O-N 3.35Å; K42-T85 PolarHBondContact O-OG1 3.24Å; Y44-T85 HydrophobicContact CD2-CG2 3.69Å; Y44-T85 HydrophobicContact CE2-CG2 3.88Å; F83-T85 HydrophobicContact CE2-CG2 4.39Å; T85-Y92 WeakPolarHBondContact CA-OH 3.47Å; T85-Y92 WeakPolarHBondContact CB-OH 3.32Å; T85-Y92 HydrophobicContact CG2-CE1 4.5Å; T85-Y92 HydrophobicContact CG2-CE2 4.01Å
86I93.3Very high94.7Very high33 Ų3343.3 Ų43.317%0.16926%0.262CS..  trans-68.3161.3178.259.2175.1000110.2A40 S41 P65 K66 S88 Y92A40-I86 WeakPolarHBondContact CA-O 3.41Å; S41-I86 PolarHBondContact N-O 3.24Å; S41-I86 VanDerWaalsContact N-O 3.16Å; P65-I86 HydrophobicContact CB-CD1 4.47Å; P65-I86 HydrophobicContact CG-CD1 4.11Å; K66-I86 HydrophobicContact CG-CD1 4.48Å; I86-S88 WeakPolarHBondContact CD1-OG 3.31Å; I86-S88 WeakPolarHBondContact CG1-OG 3.3Å; I86-S88 PolarHBondContact O-N 2.91Å; I86-Y92 PolarHBondContact N-OH 2.76Å
87P92.8Very high94.8Very high115 Ų11544 Ų4475%0.74727%0.265SS*.SBendtrans-7038.1177-18.733.1000114.7S41S41-P87 WeakPolarHBondContact OG-CA 3.14Å
88S91.8Very high94.8Very high50 Ų5041.2 Ų41.235%0.3525%0.245SC..SBendtrans-154.7135.3175.856.80000108.7I86I86-S88 WeakPolarHBondContact CD1-OG 3.31Å; I86-S88 WeakPolarHBondContact CG1-OG 3.3Å; I86-S88 PolarHBondContact O-N 2.91Å
89N92Very high94.8Very high123 Ų12343.6 Ų43.666%0.65825%0.254SS*.  trans-61.6143171.7-59.9-11000109.3A40A40-N89 WeakPolarHBondContact CB-OD1 3.3Å; A40-N89 PolarHBondContact N-OD1 2.77Å
90G93.8Very high94.6Very high16 Ų1642.3 Ų42.317%0.16525%0.245CC..EExtended strand (participates in β ladder)trans178.3174.3173.300000113.3L38 Y92L38-G90 PolarHBondContact N-O 3.19Å; L38-G90 PolarHBondContact O-N 3.28Å; G90-Y92 WeakPolarHBondContact O-CD2 3.35Å
91T95.6Very high94.2Very high61 Ų6139.4 Ų39.437%0.37423%0.23SC..EExtended strand (participates in β ladder)trans-83.4120-176.8-40.60000111.3Y35 E36 D37 P65Y35-T91 HydrophobicContact CD1-CG2 4.22Å; Y35-T91 HydrophobicContact CG-CG2 4.47Å; E36-T91 WeakPolarHBondContact O-CA 3.41Å; D37-T91 VanDerWaalsContact OD1-CA 3.3Å; D37-T91 WeakPolarHBondContact OD1-CA 3.28Å; D37-T91 VanDerWaalsContact OD1-CB 3.28Å; D37-T91 WeakPolarHBondContact OD1-CB 3.4Å; D37-T91 PolarHBondContact OD1-N 2.78Å; D37-T91 PolarHBondContact OD1-OG1 2.66Å; P65-T91 VanDerWaalsContact CA-O 3.27Å; P65-T91 WeakPolarHBondContact CA-O 3.17Å; P65-T91 WeakPolarHBondContact CG-O 3.5Å
92Y95.9Very high93.6Very high0 Ų043.4 Ų43.40%026%0.259CS..EExtended strand (participates in β ladder)trans-92.6148.3172-75.3-106.5000109.5Y35 E36 L38 K63 D64 P65 I70 F83 T85 I86 G90Y35-Y92 VanDerWaalsContact CA-O 3.29Å; Y35-Y92 WeakPolarHBondContact CA-O 3.46Å; E36-Y92 PolarHBondContact N-O 3.16Å; E36-Y92 PolarHBondContact O-N 2.93Å; L38-Y92 HydrophobicContact CB-CD2 3.76Å; L38-Y92 HydrophobicContact CB-CE2 3.93Å; L38-Y92 HydrophobicContact CD1-CD1 4.35Å; L38-Y92 HydrophobicContact CD1-CD2 3.72Å; L38-Y92 HydrophobicContact CD1-CE2 4.25Å; L38-Y92 HydrophobicContact CD1-CG 3.81Å; L38-Y92 HydrophobicContact CG-CD2 3.87Å; L38-Y92 HydrophobicContact CG-CE2 4.47Å; L38-Y92 HydrophobicContact CG-CG 4.34Å; K63-Y92 WeakPolarHBondContact O-CA 3.45Å; D64-Y92 HydrophobicContact CB-CD1 4.47Å; D64-Y92 HydrophobicContact CB-CE1 3.97Å; P65-Y92 HydrophobicContact CG-CD2 4.03Å; P65-Y92 HydrophobicContact CG-CE2 3.74Å; I70-Y92 HydrophobicContact CD1-CD1 3.7Å; I70-Y92 HydrophobicContact CD1-CE1 3.44Å; I70-Y92 VanDerWaalsContact CD1-CE1 3.44Å; F83-Y92 HydrophobicContact CD2-CE1 4.38Å; F83-Y92 HydrophobicContact CE2-CD1 4.02Å; F83-Y92 HydrophobicContact CE2-CE1 4.1Å; T85-Y92 WeakPolarHBondContact CA-OH 3.47Å; T85-Y92 WeakPolarHBondContact CB-OH 3.32Å; T85-Y92 HydrophobicContact CG2-CE1 4.5Å; T85-Y92 HydrophobicContact CG2-CE2 4.01Å; I86-Y92 PolarHBondContact N-OH 2.76Å; G90-Y92 WeakPolarHBondContact O-CD2 3.35Å
93S96.6Very high93.1Very high2 Ų246.9 Ų46.91%0.01427%0.274CS..EExtended strand (participates in β ladder)trans-116.1131.1175.570.20000111.6F34 Y35 I62 K63F34-S93 CarbonylContact O-C 3.58Å; F34-S93 VanDerWaalsContact O-CA 3.32Å; F34-S93 WeakPolarHBondContact O-CA 3.29Å; Y35-S93 VanDerWaalsContact CE1-CB 3.49Å; I62-S93 WeakPolarHBondContact CA-O 3.27Å; K63-S93 WeakPolarHBondContact CB-OG 3.39Å; K63-S93 PolarHBondContact N-O 2.94Å; K63-S93 PolarHBondContact O-N 3.31Å
94F96.7Very high92.8Very high0 Ų047.9 Ų47.90%028%0.282CS..EExtended strand (participates in β ladder)trans-114.798.5177.7-55.5-92.5000107.8C33 F34 E36 L38 F46 I62 F83 F96 I112C33-F94 WeakPolarHBondContact CA-O 3.3Å; F34-F94 PolarHBondContact N-O 3.32Å; F34-F94 PolarHBondContact O-N 2.84Å; E36-F94 HydrophobicContact CB-CE2 4.13Å; L38-F94 HydrophobicContact CD1-CZ 4.38Å; F46-F94 HydrophobicContact CB-CD1 4.5Å; F46-F94 HydrophobicContact CB-CE1 4.16Å; F46-F94 AromaticContact CD2-CD1 3.38Å; F46-F94 HydrophobicContact CD2-CD1 3.38Å; F46-F94 AromaticContact CD2-CE1 3.75Å; F46-F94 HydrophobicContact CD2-CE1 3.75Å; F46-F94 HydrophobicContact CD2-CG 4.23Å; F46-F94 HydrophobicContact CE2-CB 4.11Å; F46-F94 AromaticContact CE2-CD1 3.63Å; F46-F94 HydrophobicContact CE2-CD1 3.63Å; F46-F94 HydrophobicContact CE2-CE1 4.44Å; F46-F94 HydrophobicContact CE2-CG 4.13Å; F46-F94 AromaticContact CG-CD1 3.98Å; F46-F94 HydrophobicContact CG-CD1 3.98Å; F46-F94 HydrophobicContact CG-CE1 4.14Å; F46-F94 HydrophobicContact CZ-CD1 4.4Å; I62-F94 HydrophobicContact CD1-CD1 4.29Å; I62-F94 HydrophobicContact CD1-CE1 4.41Å; I62-F94 HydrophobicContact CG1-CD1 3.92Å; I62-F94 HydrophobicContact CG1-CE1 4.36Å; I62-F94 HydrophobicContact CG2-CD1 4.01Å; I62-F94 HydrophobicContact CG2-CE1 3.82Å; F83-F94 HydrophobicContact CE1-CE1 4.03Å; F83-F94 HydrophobicContact CE1-CZ 4.41Å; F83-F94 AromaticContact CZ-CE1 3.88Å; F83-F94 HydrophobicContact CZ-CE1 3.88Å; F83-F94 AromaticContact CZ-CZ 3.82Å; F83-F94 HydrophobicContact CZ-CZ 3.82Å; F94-F96 HydrophobicContact CB-CE2 4.4Å; F94-I112 HydrophobicContact CD1-CD1 4.37Å; F94-I112 HydrophobicContact CD2-CD1 3.69Å; F94-I112 HydrophobicContact CE1-CD1 4.09Å; F94-I112 HydrophobicContact CE1-CG1 4.17Å; F94-I112 HydrophobicContact CE2-CD1 3.36Å; F94-I112 HydrophobicContact CE2-CG1 4.29Å; F94-I112 HydrophobicContact CG-CD1 4.19Å; F94-I112 HydrophobicContact CZ-CD1 3.59Å; F94-I112 HydrophobicContact CZ-CG1 4.02Å
95C97.3Very high92.7Very high19 Ų1948 Ų4813%0.12828%0.276CS..EExtended strand (participates in β ladder)trans-100.2132-176.5-64.50000110.6I32 C33 I60 V61I32-C95 WeakPolarHBondContact O-CA 3.34Å; C33-C95 HydrophobicContact CB-CB 4.11Å; C33-C95 WeakPolarHBondContact CB-SG 3.49Å; C33-C95 WeakPolarHBondContact SG-CB 3.45Å; C33-C95 CovalentContact SG-SG 2.05Å; C33-C95 PolarHBondContact SG-SG 3.36Å; I60-C95 CarbonylContact C-O 3.6Å; I60-C95 VanDerWaalsContact CA-O 3.28Å; I60-C95 WeakPolarHBondContact CA-O 3.03Å; V61-C95 HydrophobicContact CB-CB 4.4Å; V61-C95 PolarHBondContact N-O 3.04Å; V61-C95 PolarHBondContact O-N 3.25Å
96F97.4Very high92.8Very high2 Ų247.7 Ų47.71%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-113.5132.2174.1-58-99.2000108.3F24 L26 G31 I32 F34 F46 V58 D59 I60 F94 I108 F110F24-F96 HydrophobicContact CE1-CD2 4.14Å; F24-F96 HydrophobicContact CE1-CE2 4.12Å; F24-F96 HydrophobicContact CE1-CG 4.37Å; F24-F96 HydrophobicContact CE1-CZ 4.3Å; F24-F96 HydrophobicContact CZ-CB 4.05Å; F24-F96 HydrophobicContact CZ-CD1 4.24Å; F24-F96 AromaticContact CZ-CD2 3.75Å; F24-F96 HydrophobicContact CZ-CD2 3.75Å; F24-F96 HydrophobicContact CZ-CE2 4.2Å; F24-F96 AromaticContact CZ-CG 3.76Å; F24-F96 HydrophobicContact CZ-CG 3.76Å; L26-F96 HydrophobicContact CD2-CB 3.85Å; G31-F96 CarbonylContact C-O 3.55Å; G31-F96 WeakPolarHBondContact CA-O 3.47Å; I32-F96 PolarHBondContact N-O 2.58Å; I32-F96 PolarHBondContact O-N 3.49Å; F34-F96 AromaticContact CD2-CD2 3.89Å; F34-F96 HydrophobicContact CD2-CD2 3.89Å; F34-F96 AromaticContact CD2-CE2 3.71Å; F34-F96 HydrophobicContact CD2-CE2 3.71Å; F34-F96 HydrophobicContact CE2-CD2 4.01Å; F34-F96 HydrophobicContact CE2-CE2 4.06Å; F46-F96 AromaticContact CE2-CZ 3.86Å; F46-F96 HydrophobicContact CE2-CZ 3.86Å; F46-F96 AromaticContact CZ-CE1 3.81Å; F46-F96 HydrophobicContact CZ-CE1 3.81Å; F46-F96 HydrophobicContact CZ-CE2 4.36Å; F46-F96 AromaticContact CZ-CZ 3.45Å; F46-F96 HydrophobicContact CZ-CZ 3.45Å; F46-F96 VanDerWaalsContact CZ-CZ 3.45Å; V58-F96 HydrophobicContact CG2-CB 4.19Å; V58-F96 HydrophobicContact CG2-CD1 4.34Å; D59-F96 CarbonylContact O-C 3.6Å; D59-F96 WeakPolarHBondContact O-CA 3.48Å; I60-F96 HydrophobicContact CD1-CD1 3.96Å; I60-F96 HydrophobicContact CD1-CE1 3.87Å; I60-F96 HydrophobicContact CG1-CD1 3.85Å; I60-F96 HydrophobicContact CG1-CE1 4.22Å; F94-F96 HydrophobicContact CB-CE2 4.4Å; F96-I108 HydrophobicContact CD1-CD1 4.15Å; F96-I108 HydrophobicContact CD1-CG2 4.16Å; F96-I108 HydrophobicContact CE1-CG2 3.89Å; F96-F110 HydrophobicContact CE1-CB 4.32Å; F96-F110 AromaticContact CE2-CD1 3.98Å; F96-F110 HydrophobicContact CE2-CD1 3.98Å; F96-F110 HydrophobicContact CE2-CE1 4.18Å; F96-F110 HydrophobicContact CE2-CG 4.21Å; F96-F110 HydrophobicContact CZ-CB 3.73Å; F96-F110 AromaticContact CZ-CD1 3.69Å; F96-F110 HydrophobicContact CZ-CD1 3.69Å; F96-F110 HydrophobicContact CZ-CD2 4.29Å; F96-F110 HydrophobicContact CZ-CE1 4.34Å; F96-F110 AromaticContact CZ-CG 3.63Å; F96-F110 HydrophobicContact CZ-CG 3.63Å
97S96.4Very high92.8Very high25 Ų2547.6 Ų47.618%0.17527%0.274CS..EExtended strand (participates in β ladder)trans-125.9132.2178.1177.70000111.2V58 D59 E99V58-S97 WeakPolarHBondContact CG2-O 3.33Å; D59-S97 PolarHBondContact N-O 3.26Å; D59-S97 VanDerWaalsContact N-O 3.13Å; D59-S97 PolarHBondContact O-N 2.95Å; S97-E99 WeakPolarHBondContact OG-CG 3.4Å; S97-E99 PolarHBondContact OG-N 3.41Å
98N94.8Very high93Very high0 Ų042.1 Ų42.10%024%0.238CC..  trans-120.526.7172.8-168.335.1000110.8L26 P27 N29 E30 F100 S101 S104 K106L26-N98 HydrophobicContact CD2-CB 3.61Å; L26-N98 HydrophobicContact CG-CB 3.7Å; P27-N98 WeakPolarHBondContact O-CB 3.22Å; P27-N98 PolarHBondContact O-ND2 3.31Å; N29-N98 PolarHBondContact N-O 3Å; E30-N98 PolarHBondContact O-N 3.46Å; N98-F100 PolarHBondContact O-N 2.94Å; N98-S101 PolarHBondContact O-N 3.02Å; N98-S101 VanDerWaalsContact O-N 3.15Å; N98-S101 WeakPolarHBondContact OD1-CB 3.17Å; N98-S101 PolarHBondContact OD1-OG 2.89Å; N98-S101 VanDerWaalsContact OD1-OG 3.06Å; N98-S104 PolarHBondContact ND2-O 3.45Å; N98-S104 VanDerWaalsContact ND2-O 3.12Å; N98-K106 WeakPolarHBondContact OD1-CD 3.39Å; N98-K106 WeakPolarHBondContact OD1-CE 3.42Å; N98-K106 PolarHBondContact OD1-NZ 2.76Å
99E92.6Very high93.1Very high128 Ų12840.5 Ų40.560%0.59823%0.225SC*.THydrogen-bonded Turntrans-58.6-23-177.5-76.5-178.8175.600113.4N29 S97N29-E99 PolarHBondContact OD1-O 3.04Å; S97-E99 WeakPolarHBondContact OG-CG 3.4Å; S97-E99 PolarHBondContact OG-N 3.41Å
100F90.1Very high93.2Very high52 Ų5235.2 Ų35.223%0.22820%0.196CC..THydrogen-bonded Turntrans-86-17.5-177.960.5-103.2000114.8D57 D59 N98D57-F100 HydrophobicContact CB-CZ 4.32Å; D57-F100 VanDerWaalsContact CG-CE2 3.49Å; D57-F100 WeakPolarHBondContact O-CZ 3.37Å; D57-F100 WeakPolarHBondContact OD1-CE2 3.16Å; D57-F100 WeakPolarHBondContact OD1-CZ 3.45Å; D57-F100 WeakPolarHBondContact OD2-CE2 3.43Å; D59-F100 WeakPolarHBondContact OD2-CD1 3.09Å; N98-F100 PolarHBondContact O-N 2.94Å
101S85.8Confident93.2Very high11 Ų1135.3 Ų35.38%0.07719%0.192CC..  trans-89.5127.7176.2-71.40000108.5D28 N29 N98 K106D28-S101 WeakPolarHBondContact CB-O 3.4Å; N29-S101 PolarHBondContact N-O 3.24Å; N29-S101 VanDerWaalsContact N-O 3.14Å; N98-S101 PolarHBondContact O-N 3.02Å; N98-S101 VanDerWaalsContact O-N 3.15Å; N98-S101 WeakPolarHBondContact OD1-CB 3.17Å; N98-S101 PolarHBondContact OD1-OG 2.89Å; N98-S101 VanDerWaalsContact OD1-OG 3.06Å; S101-K106 PolarHBondContact OG-NZ 2.9Å; S101-K106 VanDerWaalsContact OG-NZ 3.12Å
102S83.6Confident93Very high99 Ų9933.2 Ų33.269%0.69218%0.178SC*.SBendtrans-100.9-3.9-174.353.40000114.5
103I84.8Confident92.7Very high150 Ų15036.3 Ų36.377%0.76919%0.19SC*.SBendtrans-142.8-38.9-170.1-58.2177.1000111.7
104S88.8Confident92.3Very high30 Ų3038.2 Ų38.221%0.2120%0.202CC..  trans-102.9120.3-172.656.40000112.3N98N98-S104 PolarHBondContact ND2-O 3.45Å; N98-S104 VanDerWaalsContact ND2-O 3.12Å
105H93.2Very high91.7Very high86 Ų8641.9 Ų41.940%0.39822%0.219SC..  trans-68.4160.7161.461.9-93.4000110.4E25 L26 G53E25-H105 HydrophobicContact CG-CB 4.31Å; E25-H105 IonicContact OE1-CD2 3.58Å; E25-H105 PolarHBondContact OE1-CD2 3.01Å; E25-H105 IonicContact OE1-CE1 3.82Å; E25-H105 IonicContact OE1-CG 2.89Å; E25-H105 IonicContact OE1-ND1 3.88Å; E25-H105 IonicContact OE1-NE2 2.77Å; L26-H105 CarbonylContact O-C 3.43Å; L26-H105 WeakPolarHBondContact O-CA 3.47Å; G53-H105 VanDerWaalsContact CA-O 3.28Å; G53-H105 WeakPolarHBondContact CA-O 3.37Å
106K94.7Very high90.9Very high0 Ų046.9 Ų46.90%025%0.245CC..EExtended strand (participates in β ladder)trans-126.9138.2-177.7-67.5176.1-178.1166.60110.6E25 L26 V50 H52 Q55 D57 N98 S101 I108E25-K106 CarbonylContact C-O 3.53Å; E25-K106 WeakPolarHBondContact CA-O 3.45Å; L26-K106 HydrophobicContact CB-CB 4.49Å; L26-K106 PolarHBondContact N-O 3.02Å; L26-K106 PolarHBondContact O-N 2.79Å; V50-K106 HydrophobicContact CG1-CB 4.38Å; H52-K106 CarbonylContact O-C 3.54Å; H52-K106 WeakPolarHBondContact O-CA 3.35Å; Q55-K106 WeakPolarHBondContact O-CE 2.97Å; Q55-K106 PolarHBondContact O-NZ 3.05Å; D57-K106 WeakPolarHBondContact O-CD 3.31Å; D57-K106 VanDerWaalsContact O-CE 3.24Å; D57-K106 WeakPolarHBondContact O-CE 3.27Å; D57-K106 PolarHBondContact O-NZ 2.98Å; D57-K106 IonicContact OD1-NZ 3.79Å; D57-K106 PolarHBondContact OD1-NZ 2.95Å; N98-K106 WeakPolarHBondContact OD1-CD 3.39Å; N98-K106 WeakPolarHBondContact OD1-CE 3.42Å; N98-K106 PolarHBondContact OD1-NZ 2.76Å; S101-K106 PolarHBondContact OG-NZ 2.9Å; S101-K106 VanDerWaalsContact OG-NZ 3.12Å; K106-I108 HydrophobicContact CB-CD1 4.42Å; K106-I108 HydrophobicContact CB-CG1 4.22Å
107L94.8Very high89.6Confident30 Ų3050.2 Ų50.216%0.15726%0.259CS..EExtended strand (participates in β ladder)trans-99.4117171.5-173.270.3000108.4T23 I51 H52 Y162 L166T23-L107 HydrophobicContact CG2-CD1 3.82Å; T23-L107 HydrophobicContact CG2-CD2 4.33Å; T23-L107 HydrophobicContact CG2-CG 3.94Å; I51-L107 HydrophobicContact CB-CB 4.41Å; I51-L107 HydrophobicContact CB-CD2 4.16Å; I51-L107 HydrophobicContact CB-CG 4.31Å; I51-L107 HydrophobicContact CD1-CD2 4.19Å; I51-L107 HydrophobicContact CD1-CG 4.32Å; I51-L107 HydrophobicContact CG2-CD2 3.98Å; I51-L107 PolarHBondContact N-O 2.87Å; H52-L107 HydrophobicContact CB-CB 4.17Å; H52-L107 PolarHBondContact N-O 2.99Å; H52-L107 PolarHBondContact O-N 3.18Å; L107-Y162 HydrophobicContact CD2-CD1 4.35Å; L107-Y162 HydrophobicContact CD2-CE1 3.78Å; L107-L166 HydrophobicContact CD2-CD1 3.73Å
108I95.4Very high88.3Confident0 Ų051.4 Ų51.40%026%0.262CS..EExtended strand (participates in β ladder)trans-119.6129-172.6-55.3178000109T23 F24 L26 V50 V58 F96 K106T23-I108 CarbonylContact C-O 3.38Å; T23-I108 VanDerWaalsContact CA-O 3.31Å; T23-I108 WeakPolarHBondContact CA-O 3.3Å; F24-I108 HydrophobicContact CD1-CB 4.36Å; F24-I108 HydrophobicContact CE1-CB 3.81Å; F24-I108 HydrophobicContact CE1-CG2 4.02Å; F24-I108 HydrophobicContact CZ-CB 4.08Å; F24-I108 HydrophobicContact CZ-CD1 4.14Å; F24-I108 HydrophobicContact CZ-CG2 4.45Å; F24-I108 PolarHBondContact N-O 2.91Å; F24-I108 PolarHBondContact O-N 2.82Å; L26-I108 HydrophobicContact CB-CD1 4.03Å; L26-I108 HydrophobicContact CD2-CD1 3.63Å; V50-I108 HydrophobicContact CG2-CG1 4.33Å; V58-I108 HydrophobicContact CB-CD1 4.21Å; V58-I108 HydrophobicContact CG1-CD1 4.39Å; V58-I108 HydrophobicContact CG2-CD1 3.79Å; F96-I108 HydrophobicContact CD1-CD1 4.15Å; F96-I108 HydrophobicContact CD1-CG2 4.16Å; F96-I108 HydrophobicContact CE1-CG2 3.89Å; K106-I108 HydrophobicContact CB-CD1 4.42Å; K106-I108 HydrophobicContact CB-CG1 4.22Å
109Y94.1Very high87.1Confident17 Ų1752.6 Ų52.67%0.06727%0.271CS..EExtended strand (participates in β ladder)trans-94.3136.9162.5173.5-94.8000108.9R21 L22 Y48 H49 E111 I155 N159R21-Y109 HydrophobicContact CB-CE2 4.17Å; L22-Y109 WeakPolarHBondContact O-CA 3.21Å; Y48-Y109 CarbonylContact C-O 3.59Å; Y48-Y109 VanDerWaalsContact CA-O 3.26Å; Y48-Y109 WeakPolarHBondContact CA-O 3.34Å; H49-Y109 PolarHBondContact N-O 3.1Å; H49-Y109 PolarHBondContact O-N 3.46Å; Y109-E111 HydrophobicContact CE1-CB 4.02Å; Y109-E111 PolarHBondContact OH-OE2 3.06Å; Y109-I155 HydrophobicContact CE2-CG2 4.26Å; Y109-I155 WeakPolarHBondContact OH-CG2 3.35Å; Y109-N159 WeakPolarHBondContact CD1-ND2 3.27Å; Y109-N159 WeakPolarHBondContact CD2-ND2 3.46Å; Y109-N159 WeakPolarHBondContact CE1-ND2 3.08Å; Y109-N159 WeakPolarHBondContact CE2-ND2 3.28Å
110F95.1Very high85.9Confident12 Ų1249.6 Ų49.65%0.05326%0.258CS..EExtended strand (participates in β ladder)trans-141.7157.7164.575.2-86000111.5R21 L22 F24 F34 F46 S47 F96 I112R21-F110 CarbonylContact C-O 3.52Å; R21-F110 VanDerWaalsContact CA-O 3.31Å; R21-F110 WeakPolarHBondContact CA-O 3.32Å; L22-F110 HydrophobicContact CB-CD1 4.43Å; L22-F110 HydrophobicContact CB-CE1 3.8Å; L22-F110 HydrophobicContact CB-CZ 3.96Å; L22-F110 HydrophobicContact CD2-CE1 4.03Å; L22-F110 HydrophobicContact CD2-CZ 4.21Å; L22-F110 HydrophobicContact CG-CE1 4.24Å; L22-F110 PolarHBondContact N-O 2.89Å; L22-F110 PolarHBondContact O-N 2.91Å; F24-F110 AromaticContact CD1-CD1 3.86Å; F24-F110 HydrophobicContact CD1-CD1 3.86Å; F24-F110 AromaticContact CD1-CE1 3.73Å; F24-F110 HydrophobicContact CD1-CE1 3.73Å; F24-F110 AromaticContact CE1-CD1 3.63Å; F24-F110 HydrophobicContact CE1-CD1 3.63Å; F24-F110 AromaticContact CE1-CE1 3.73Å; F24-F110 HydrophobicContact CE1-CE1 3.73Å; F34-F110 HydrophobicContact CB-CZ 4.05Å; F34-F110 HydrophobicContact CD1-CE1 4.38Å; F34-F110 AromaticContact CD1-CZ 3.96Å; F34-F110 HydrophobicContact CD1-CZ 3.96Å; F34-F110 AromaticContact CD2-CE1 3.75Å; F34-F110 HydrophobicContact CD2-CE1 3.75Å; F34-F110 AromaticContact CD2-CZ 3.73Å; F34-F110 HydrophobicContact CD2-CZ 3.73Å; F34-F110 HydrophobicContact CE1-CE1 4.36Å; F34-F110 HydrophobicContact CE1-CZ 4.36Å; F34-F110 AromaticContact CE2-CE1 3.72Å; F34-F110 HydrophobicContact CE2-CE1 3.72Å; F34-F110 HydrophobicContact CE2-CZ 4.14Å; F34-F110 HydrophobicContact CG-CE1 4.08Å; F34-F110 AromaticContact CG-CZ 3.62Å; F34-F110 HydrophobicContact CG-CZ 3.62Å; F34-F110 HydrophobicContact CZ-CE1 4.03Å; F34-F110 HydrophobicContact CZ-CZ 4.43Å; F46-F110 HydrophobicContact CE2-CB 4.04Å; F46-F110 AromaticContact CE2-CD2 3.92Å; F46-F110 HydrophobicContact CE2-CD2 3.92Å; F46-F110 HydrophobicContact CE2-CG 4.26Å; F46-F110 HydrophobicContact CZ-CB 4.32Å; S47-F110 CarbonylContact O-C 3.54Å; S47-F110 WeakPolarHBondContact O-CA 3.42Å; S47-F110 WeakPolarHBondContact O-CB 3.32Å; F96-F110 HydrophobicContact CE1-CB 4.32Å; F96-F110 AromaticContact CE2-CD1 3.98Å; F96-F110 HydrophobicContact CE2-CD1 3.98Å; F96-F110 HydrophobicContact CE2-CE1 4.18Å; F96-F110 HydrophobicContact CE2-CG 4.21Å; F96-F110 HydrophobicContact CZ-CB 3.73Å; F96-F110 AromaticContact CZ-CD1 3.69Å; F96-F110 HydrophobicContact CZ-CD1 3.69Å; F96-F110 HydrophobicContact CZ-CD2 4.29Å; F96-F110 HydrophobicContact CZ-CE1 4.34Å; F96-F110 AromaticContact CZ-CG 3.63Å; F96-F110 HydrophobicContact CZ-CG 3.63Å; F110-I112 HydrophobicContact CE2-CD1 4.47Å
111E93.1Very high84.9Confident17 Ų1748.5 Ų48.58%0.07926%0.259CS..EExtended strand (participates in β ladder)trans-146140.5178.5177.1170-155.500110.3S20 R21 S47 Y109S20-E111 CarbonylContact O-C 3.58Å; S20-E111 VanDerWaalsContact O-CA 3.3Å; S20-E111 WeakPolarHBondContact O-CA 3.1Å; R21-E111 HydrophobicContact CB-CB 3.95Å; R21-E111 HydrophobicContact CB-CG 3.98Å; S47-E111 PolarHBondContact N-O 3.34Å; S47-E111 PolarHBondContact O-N 2.83Å; Y109-E111 HydrophobicContact CE1-CB 4.02Å; Y109-E111 PolarHBondContact OH-OE2 3.06Å
112I92.6Very high84.2Confident18 Ų1851.4 Ų51.49%0.09227%0.271CS..EExtended strand (participates in β ladder)trans-113.5116.4171.7-59.2156.9000106.7S20 E36 L38 Y44 F46 F94 F110S20-I112 PolarHBondContact O-N 3.06Å; E36-I112 HydrophobicContact CB-CD1 4.16Å; E36-I112 HydrophobicContact CG-CD1 4.43Å; L38-I112 HydrophobicContact CD2-CG2 4.37Å; Y44-I112 HydrophobicContact CD1-CG2 3.91Å; F46-I112 HydrophobicContact CD2-CG1 3.91Å; F94-I112 HydrophobicContact CD1-CD1 4.37Å; F94-I112 HydrophobicContact CD2-CD1 3.69Å; F94-I112 HydrophobicContact CE1-CD1 4.09Å; F94-I112 HydrophobicContact CE1-CG1 4.17Å; F94-I112 HydrophobicContact CE2-CD1 3.36Å; F94-I112 HydrophobicContact CE2-CG1 4.29Å; F94-I112 HydrophobicContact CG-CD1 4.19Å; F94-I112 HydrophobicContact CZ-CD1 3.59Å; F94-I112 HydrophobicContact CZ-CG1 4.02Å; F110-I112 HydrophobicContact CE2-CD1 4.47Å
113R87.9Confident83.5Confident65 Ų6552.8 Ų52.825%0.24527%0.267CS..EExtended strand (participates in β ladder)trans-127.9148.8178.664.8-177.2-175.3-94.1-2.3111Y44 V45 D80Y44-R113 CarbonylContact C-O 3.58Å; Y44-R113 VanDerWaalsContact CA-O 3.32Å; Y44-R113 WeakPolarHBondContact CA-O 3.42Å; Y44-R113 WeakPolarHBondContact CD1-O 3.47Å; V45-R113 HydrophobicContact CB-CG 4.05Å; V45-R113 PolarHBondContact N-O 3.44Å; V45-R113 PolarHBondContact O-N 3.44Å; D80-R113 IonicContact OD1-NH2 3.24Å; D80-R113 IonicContact OD2-CZ 3.17Å; D80-R113 IonicContact OD2-NH2 2.55Å; D80-R113 PolarHBondContact OD2-NH2 3.47Å
114P88.6Confident82.9Confident41 Ų4148.8 Ų48.827%0.26626%0.256SS..EExtended strand (participates in β ladder)trans-55.4146.1164.7-17.928.4000110.8Y44 D116 E118Y44-P114 HydrophobicContact CE1-CB 4.41Å; Y44-P114 HydrophobicContact CE1-CG 4.04Å; P114-D116 WeakPolarHBondContact CB-O 3.33Å; P114-E118 HydrophobicContact CG-CG 4.42Å; P114-E118 WeakPolarHBondContact CG-OE2 3.26Å
115E85.3Confident81.9Confident77 Ų7750.5 Ų50.536%0.3628%0.279SS..SBendtrans-67.4-43.1176.2-174.6-177.1-172.300111.3K43 V45K43-E115 HydrophobicContact CB-CB 3.9Å; K43-E115 VanDerWaalsContact CB-OE2 3.32Å; K43-E115 WeakPolarHBondContact CB-OE2 3.3Å; K43-E115 WeakPolarHBondContact CD-OE2 3.43Å; K43-E115 IonicContact NZ-OE2 3.83Å; K43-E115 PolarHBondContact NZ-OE2 3.42Å; K43-E115 PolarHBondContact O-N 2.77Å; V45-E115 HydrophobicContact CG2-CB 4.04Å; V45-E115 HydrophobicContact CG2-CG 4.15Å
116D79.8Confident80.9Confident125 Ų12551.7 Ų51.767%0.66829%0.287SS*.SBendtrans-86.8131.4174.3-64.6-45.3000109.1P114 E118P114-D116 WeakPolarHBondContact CB-O 3.33Å; D116-E118 PolarHBondContact O-N 3.25Å
117F70.9Confident79.7Confident71 Ų7155.6 Ų55.631%0.31131%0.313SS..PPolyproline II helixtrans-59.6125.8172.5-67.8-85.6000109.2S119 H145 S148 R149F117-S119 PolarHBondContact O-N 2.87Å; F117-H145 AromaticContact CD2-CD2 3.28Å; F117-H145 WeakPolarHBondContact CD2-CD2 3.41Å; F117-H145 AromaticContact CD2-CE1 3.97Å; F117-H145 AromaticContact CD2-NE2 3.09Å; F117-H145 WeakPolarHBondContact CD2-NE2 3.47Å; F117-H145 AromaticContact CE2-CE1 3.98Å; F117-H145 AromaticContact CE2-NE2 3.48Å; F117-H145 WeakPolarHBondContact CE2-NE2 3.38Å; F117-H145 AromaticContact CG-CD2 3.65Å; F117-H145 AromaticContact CG-NE2 3.95Å; F117-S148 WeakPolarHBondContact CD1-OG 3.34Å; F117-R149 HydrophobicContact CE1-CB 4.33Å; F117-R149 HydrophobicContact CZ-CB 3.97Å; F117-R149 HydrophobicContact CZ-CG 4.33Å
118E68.8Low78.3Confident51 Ų5158.2 Ų58.224%0.23833%0.33CS..PPolyproline II helixtrans-60.6135178.9-90.2164.435.500110.2P114 D116 E122P114-E118 HydrophobicContact CG-CG 4.42Å; P114-E118 WeakPolarHBondContact CG-OE2 3.26Å; D116-E118 PolarHBondContact O-N 3.25Å; E118-E122 HydrophobicContact CB-CB 4.04Å; E118-E122 HydrophobicContact CB-CG 4.24Å; E118-E122 HydrophobicContact CG-CB 4.03Å; E118-E122 HydrophobicContact CG-CG 3.68Å
119S68.2Low77Confident25 Ų2565.2 Ų65.218%0.17536%0.361CS..PPolyproline II helixtrans-58.8152.4171.371.80000108.7F117 A121 E122 E123F117-S119 PolarHBondContact O-N 2.87Å; S119-A121 PolarHBondContact O-N 2.89Å; S119-E122 WeakPolarHBondContact O-CA 3.28Å; S119-E122 PolarHBondContact O-N 2.91Å; S119-E122 PolarHBondContact OG-N 3.43Å; S119-E123 PolarHBondContact O-N 3.5Å
120L68.5Low75.5Confident65 Ų6570.7 Ų70.734%0.3440%0.398SS..Hα-helixtrans-50.8-32.5177.3-80.2142.4000113.4A124 V140 E141 H144L120-A124 WeakPolarHBondContact O-CB 3.41Å; L120-A124 PolarHBondContact O-N 3.17Å; L120-V140 HydrophobicContact CD1-CB 4.44Å; L120-V140 HydrophobicContact CD1-CG1 3.69Å; L120-E141 HydrophobicContact CD1-CB 4.26Å; L120-H144 HydrophobicContact CD1-CB 3.83Å; L120-H144 HydrophobicContact CD2-CB 3.91Å; L120-H144 HydrophobicContact CG-CB 3.76Å
121A68.1Low74.2Confident29 Ų2975.1 Ų75.124%0.2443%0.426CS..Hα-helixtrans-68-42.4176.900000111.4S119 A124 G125 L126 V128S119-A121 PolarHBondContact O-N 2.89Å; A121-A124 PolarHBondContact O-N 3.05Å; A121-G125 PolarHBondContact O-N 2.87Å; A121-L126 CarbonylContact C-O 3.52Å; A121-L126 HydrophobicContact CB-CB 4.4Å; A121-L126 WeakPolarHBondContact O-CA 3.44Å; A121-L126 WeakPolarHBondContact O-CB 3.06Å; A121-L126 PolarHBondContact O-N 2.86Å; A121-L126 VanDerWaalsContact O-O 3.07Å; A121-V128 HydrophobicContact CB-CG2 4.11Å
122E71.1Confident73.1Confident71 Ų7181.1 Ų81.133%0.33246%0.464SS..Hα-helixtrans-69.3-45-179.1-166.9155.415800111.9K42 E118 S119 A124 G125 V128K42-E122 IonicContact NZ-OE1 3.45Å; K42-E122 PolarHBondContact NZ-OE1 3.29Å; E118-E122 HydrophobicContact CB-CB 4.04Å; E118-E122 HydrophobicContact CB-CG 4.24Å; E118-E122 HydrophobicContact CG-CB 4.03Å; E118-E122 HydrophobicContact CG-CG 3.68Å; S119-E122 WeakPolarHBondContact O-CA 3.28Å; S119-E122 PolarHBondContact O-N 2.91Å; S119-E122 PolarHBondContact OG-N 3.43Å; E122-A124 VanDerWaalsContact C-N 3.28Å; E122-A124 PolarHBondContact O-N 3.46Å; E122-G125 PolarHBondContact O-N 2.77Å; E122-V128 HydrophobicContact CB-CG2 4.47Å
123E70.5Confident72Confident129 Ų12984.4 Ų84.460%0.60348%0.48SS*.Hα-helixtrans-60.6-37.3173.1-178.464.3-144.700111.8S119 G125S119-E123 PolarHBondContact O-N 3.5Å; E123-G125 PolarHBondContact O-N 3.49Å
124A71.8Confident71.6Confident65 Ų6585 Ų8554%0.53749%0.49SS..THydrogen-bonded Turntrans-75.4-0.7175.500000113.9L120 A121 E122 L126L120-A124 WeakPolarHBondContact O-CB 3.41Å; L120-A124 PolarHBondContact O-N 3.17Å; A121-A124 PolarHBondContact O-N 3.05Å; E122-A124 VanDerWaalsContact C-N 3.28Å; E122-A124 PolarHBondContact O-N 3.46Å; A124-L126 HydrophobicContact CB-CD1 4.12Å; A124-L126 HydrophobicContact CB-CG 4.04Å; A124-L126 PolarHBondContact O-N 2.59Å
125G68Low71.5Confident67 Ų6789.6 Ų89.669%0.69151%0.512SS*.THydrogen-bonded Turntrans67.420.3-175.100000113.8A121 E122 E123A121-G125 PolarHBondContact O-N 2.87Å; E122-G125 PolarHBondContact O-N 2.77Å; E123-G125 PolarHBondContact O-N 3.49Å
126L71.6Confident71.6Confident110 Ų11091.9 Ų91.958%0.57653%0.526SS*.  trans-93.7143179.1-62.6177.4000110.8A121 A124 V128A121-L126 CarbonylContact C-O 3.52Å; A121-L126 HydrophobicContact CB-CB 4.4Å; A121-L126 WeakPolarHBondContact O-CA 3.44Å; A121-L126 WeakPolarHBondContact O-CB 3.06Å; A121-L126 PolarHBondContact O-N 2.86Å; A121-L126 VanDerWaalsContact O-O 3.07Å; A124-L126 HydrophobicContact CB-CD1 4.12Å; A124-L126 HydrophobicContact CB-CG 4.04Å; A124-L126 PolarHBondContact O-N 2.59Å; L126-V128 PolarHBondContact O-N 2.83Å
127P69.3Low71.7Confident83 Ų8389.5 Ų89.554%0.53951%0.514SS..  trans-61.9127.5173.225-32.5000110.4F129P127-F129 HydrophobicContact CB-CE2 4.25Å; P127-F129 HydrophobicContact CB-CZ 4.21Å; P127-F129 HydrophobicContact CG-CD2 4.41Å; P127-F129 HydrophobicContact CG-CE2 3.61Å; P127-F129 HydrophobicContact CG-CZ 3.73Å; P127-F129 WeakPolarHBondContact O-CD2 3.39Å; P127-F129 PolarHBondContact O-N 2.89Å
128V66.5Low72.4Confident85 Ų8588.5 Ų88.552%0.51552%0.515SS..  trans-69.4100.7173.1-177.20000108.3A121 E122 L126A121-V128 HydrophobicContact CB-CG2 4.11Å; E122-V128 HydrophobicContact CB-CG2 4.47Å; L126-V128 PolarHBondContact O-N 2.83Å
129F66.3Low73.4Confident147 Ų14790.1 Ų90.165%0.64553%0.528SS*.  trans-83.3128.5169.5-65.3-72.2000109P127 T131P127-F129 HydrophobicContact CB-CE2 4.25Å; P127-F129 HydrophobicContact CB-CZ 4.21Å; P127-F129 HydrophobicContact CG-CD2 4.41Å; P127-F129 HydrophobicContact CG-CE2 3.61Å; P127-F129 HydrophobicContact CG-CZ 3.73Å; P127-F129 WeakPolarHBondContact O-CD2 3.39Å; P127-F129 PolarHBondContact O-N 2.89Å; F129-T131 HydrophobicContact CB-CG2 4.16Å; F129-T131 PolarHBondContact O-N 2.94Å
130P63.2Low74.3Confident132 Ų13292.5 Ų92.586%0.85754%0.542SS*.  trans-75.559.2171.633.1-35.1000109.7
131T68.6Low75.1Confident104 Ų10492.7 Ų92.764%0.63854%0.541SS*.  trans-80.6148.8166.748.30000109F129 M133F129-T131 HydrophobicContact CB-CG2 4.16Å; F129-T131 PolarHBondContact O-N 2.94Å; T131-M133 PolarHBondContact O-N 2.94Å
132V69.2Low76Confident144 Ų14495.1 Ų95.187%0.87355%0.553SS**  trans-55.9110.5171.8-178.90000107.6T134V132-T134 PolarHBondContact O-N 2.96Å
133M69Low76.9Confident87 Ų8796.3 Ų96.343%0.42956%0.561SS.*  trans-61.4131.7177.2-72.7-172.379.700109T131 D137 E141T131-M133 PolarHBondContact O-N 2.94Å; M133-D137 HydrophobicContact CB-CB 4.12Å; M133-D137 HydrophobicContact CE-CB 3.47Å; M133-D137 VanDerWaalsContact CE-CB 3.47Å; M133-D137 WeakPolarHBondContact CE-O 3.48Å; M133-D137 HydrophobicContact CG-CB 4.4Å; M133-E141 HydrophobicContact CE-CB 4.22Å; M133-E141 VanDerWaalsContact CE-OE2 3.3Å; M133-E141 WeakPolarHBondContact CE-OE2 3.17Å
134T80.9Confident77.7Confident76 Ų7692.5 Ų92.547%0.46654%0.543SS..  trans-66.7158.6169.570.20000109V132 L136 D137 S138V132-T134 PolarHBondContact O-N 2.96Å; T134-L136 PolarHBondContact O-N 2.96Å; T134-L136 VanDerWaalsContact O-N 3.1Å; T134-D137 VanDerWaalsContact CB-OD2 3.32Å; T134-D137 WeakPolarHBondContact CB-OD2 3.49Å; T134-D137 WeakPolarHBondContact CG2-OD2 3.06Å; T134-D137 PolarHBondContact N-OD2 3.07Å; T134-D137 PolarHBondContact O-N 2.88Å; T134-D137 PolarHBondContact OG1-N 2.82Å; T134-D137 PolarHBondContact OG1-OD2 2.92Å; T134-S138 PolarHBondContact O-N 2.92Å
135L85.7Confident78.4Confident139 Ų13993 Ų9373%0.72853%0.534SS*.Hα-helixtrans-55.1-30.3175.7-179.4148.2000112.1S138 V139L135-S138 PolarHBondContact O-OG 3.04Å; L135-S138 VanDerWaalsContact O-OG 3.12Å; L135-V139 VanDerWaalsContact O-CG2 3.32Å; L135-V139 WeakPolarHBondContact O-CG2 3.32Å; L135-V139 PolarHBondContact O-N 2.78Å
136L86.9Confident79.4Confident124 Ų12497 Ų9765%0.64953%0.529SS*.Hα-helixtrans-71.9-43.5176-69.8175.2000111.7T134 S138 V139 V140T134-L136 PolarHBondContact O-N 2.96Å; T134-L136 VanDerWaalsContact O-N 3.1Å; L136-S138 VanDerWaalsContact C-N 3.28Å; L136-S138 PolarHBondContact O-N 2.84Å; L136-V139 PolarHBondContact O-N 2.95Å; L136-V140 VanDerWaalsContact O-CG2 3.3Å; L136-V140 WeakPolarHBondContact O-CG2 3.48Å; L136-V140 PolarHBondContact O-N 2.88Å
137D83.3Confident80.3Confident76 Ų7696.9 Ų96.941%0.40653%0.529SS..Hα-helixtrans-59.2-42.2-179.3-57.5-41.5000111M133 T134 V140 E141M133-D137 HydrophobicContact CB-CB 4.12Å; M133-D137 HydrophobicContact CE-CB 3.47Å; M133-D137 VanDerWaalsContact CE-CB 3.47Å; M133-D137 WeakPolarHBondContact CE-O 3.48Å; M133-D137 HydrophobicContact CG-CB 4.4Å; T134-D137 VanDerWaalsContact CB-OD2 3.32Å; T134-D137 WeakPolarHBondContact CB-OD2 3.49Å; T134-D137 WeakPolarHBondContact CG2-OD2 3.06Å; T134-D137 PolarHBondContact N-OD2 3.07Å; T134-D137 PolarHBondContact O-N 2.88Å; T134-D137 PolarHBondContact OG1-N 2.82Å; T134-D137 PolarHBondContact OG1-OD2 2.92Å; D137-V140 PolarHBondContact O-N 3.07Å; D137-E141 PolarHBondContact O-N 3.34Å
138S84.5Confident81Confident49 Ų4994.5 Ų94.534%0.34351%0.514SS..Hα-helixtrans-68.6-36-179.965.10000112.8T134 L135 L136 V142T134-S138 PolarHBondContact O-N 2.92Å; L135-S138 PolarHBondContact O-OG 3.04Å; L135-S138 VanDerWaalsContact O-OG 3.12Å; L136-S138 VanDerWaalsContact C-N 3.28Å; L136-S138 PolarHBondContact O-N 2.84Å; S138-V142 VanDerWaalsContact O-CG2 3.28Å; S138-V142 WeakPolarHBondContact O-CG2 3.47Å; S138-V142 PolarHBondContact O-N 3.29Å
139V89.2Confident82Confident85 Ų8597.9 Ų97.952%0.51552%0.517SS..Hα-helixtrans-66.3-41174.8171.10000111L135 L136 V142 L143L135-V139 VanDerWaalsContact O-CG2 3.32Å; L135-V139 WeakPolarHBondContact O-CG2 3.32Å; L135-V139 PolarHBondContact O-N 2.78Å; L136-V139 PolarHBondContact O-N 2.95Å; V139-V142 PolarHBondContact O-N 3.36Å; V139-L143 WeakPolarHBondContact O-CB 3.38Å; V139-L143 PolarHBondContact O-N 2.96Å
140V88Confident83.1Confident76 Ų7693.7 Ų93.746%0.46151%0.51SS..Hα-helixtrans-66.8-40.5178.9178.10000110.8L120 L136 D137 L143 H144L120-V140 HydrophobicContact CD1-CB 4.44Å; L120-V140 HydrophobicContact CD1-CG1 3.69Å; L136-V140 VanDerWaalsContact O-CG2 3.3Å; L136-V140 WeakPolarHBondContact O-CG2 3.48Å; L136-V140 PolarHBondContact O-N 2.88Å; D137-V140 PolarHBondContact O-N 3.07Å; V140-L143 PolarHBondContact O-N 3.02Å; V140-H144 WeakPolarHBondContact O-CB 2.98Å; V140-H144 PolarHBondContact O-N 2.89Å
141E84.8Confident84.3Confident69 Ų6992.3 Ų92.332%0.32249%0.492SS..Hα-helixtrans-62.1-46175.1-173.1176.4-15100112.3L120 M133 D137 L143 H144 H145L120-E141 HydrophobicContact CD1-CB 4.26Å; M133-E141 HydrophobicContact CE-CB 4.22Å; M133-E141 VanDerWaalsContact CE-OE2 3.3Å; M133-E141 WeakPolarHBondContact CE-OE2 3.17Å; D137-E141 PolarHBondContact O-N 3.34Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 3.21Å; E141-H144 PolarHBondContact O-N 3.06Å; E141-H145 PolarHBondContact O-N 2.87Å
142V87.9Confident85Confident79 Ų7989 Ų8948%0.47947%0.473SS..Hα-helixtrans-60.9-43.7175.1170.50000111.2S138 V139 H145 Y146S138-V142 VanDerWaalsContact O-CG2 3.28Å; S138-V142 WeakPolarHBondContact O-CG2 3.47Å; S138-V142 PolarHBondContact O-N 3.29Å; V139-V142 PolarHBondContact O-N 3.36Å; V142-H145 PolarHBondContact O-N 3.26Å; V142-Y146 HydrophobicContact CG1-CD2 3.72Å; V142-Y146 HydrophobicContact CG1-CE2 3.45Å; V142-Y146 VanDerWaalsContact CG1-CE2 3.45Å; V142-Y146 WeakPolarHBondContact O-CD2 3.38Å; V142-Y146 PolarHBondContact O-N 3.33Å
143L89.4Confident85.8Confident97 Ų9787.7 Ų87.751%0.50846%0.456SS..Hα-helixtrans-62.5-43.2177.2-179.961.1000111.7V139 V140 E141 H145 Y146 L147V139-L143 WeakPolarHBondContact O-CB 3.38Å; V139-L143 PolarHBondContact O-N 2.96Å; V140-L143 PolarHBondContact O-N 3.02Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 3.21Å; L143-H145 PolarHBondContact O-N 3.49Å; L143-Y146 PolarHBondContact O-N 3.37Å; L143-L147 HydrophobicContact CD1-CD1 4.25Å; L143-L147 HydrophobicContact CD1-CG 4.22Å; L143-L147 HydrophobicContact CG-CD1 4.01Å; L143-L147 HydrophobicContact CG-CG 4.4Å; L143-L147 WeakPolarHBondContact O-CG 3.18Å; L143-L147 PolarHBondContact O-N 3.37Å
144H87.5Confident86.8Confident48 Ų4885.3 Ų85.322%0.22245%0.453CS..Hα-helixtrans-59.4-46.5176.5177.272.7000111.4L120 V140 E141 Y146 L147 S148L120-H144 HydrophobicContact CD1-CB 3.83Å; L120-H144 HydrophobicContact CD2-CB 3.91Å; L120-H144 HydrophobicContact CG-CB 3.76Å; V140-H144 WeakPolarHBondContact O-CB 2.98Å; V140-H144 PolarHBondContact O-N 2.89Å; E141-H144 PolarHBondContact O-N 3.06Å; H144-Y146 VanDerWaalsContact C-N 3.33Å; H144-Y146 PolarHBondContact O-N 2.82Å; H144-L147 PolarHBondContact O-N 3.24Å; H144-S148 WeakPolarHBondContact O-CB 3.33Å; H144-S148 PolarHBondContact O-N 2.82Å
145H85.4Confident87.1Confident76 Ų7682.6 Ų82.635%0.35244%0.436SS..Hα-helixtrans-57-45.2175.5176.2-76.3000112F117 E141 V142 L143 R149F117-H145 AromaticContact CD2-CD2 3.28Å; F117-H145 WeakPolarHBondContact CD2-CD2 3.41Å; F117-H145 AromaticContact CD2-CE1 3.97Å; F117-H145 AromaticContact CD2-NE2 3.09Å; F117-H145 WeakPolarHBondContact CD2-NE2 3.47Å; F117-H145 AromaticContact CE2-CE1 3.98Å; F117-H145 AromaticContact CE2-NE2 3.48Å; F117-H145 WeakPolarHBondContact CE2-NE2 3.38Å; F117-H145 AromaticContact CG-CD2 3.65Å; F117-H145 AromaticContact CG-NE2 3.95Å; E141-H145 PolarHBondContact O-N 2.87Å; V142-H145 PolarHBondContact O-N 3.26Å; L143-H145 PolarHBondContact O-N 3.49Å; H145-R149 WeakPolarHBondContact O-CB 3.41Å; H145-R149 PolarHBondContact O-N 2.89Å
146Y89.9Confident87.1Confident152 Ų15281.4 Ų81.460%0.59643%0.427SS*.Hα-helixtrans-65.3-39.9176.7-79.4-65.7000113.2V142 L143 H144 A150V142-Y146 HydrophobicContact CG1-CD2 3.72Å; V142-Y146 HydrophobicContact CG1-CE2 3.45Å; V142-Y146 VanDerWaalsContact CG1-CE2 3.45Å; V142-Y146 WeakPolarHBondContact O-CD2 3.38Å; V142-Y146 PolarHBondContact O-N 3.33Å; L143-Y146 PolarHBondContact O-N 3.37Å; H144-Y146 VanDerWaalsContact C-N 3.33Å; H144-Y146 PolarHBondContact O-N 2.82Å; Y146-A150 WeakPolarHBondContact O-CB 3.32Å; Y146-A150 PolarHBondContact O-N 2.93Å
147L90.2Very high87.2Confident107 Ų10777.9 Ų77.956%0.5641%0.408SS*.Hα-helixtrans-68.1-43.7178.4-71.8174.3000111.8L143 H144 A150 E151L143-L147 HydrophobicContact CD1-CD1 4.25Å; L143-L147 HydrophobicContact CD1-CG 4.22Å; L143-L147 HydrophobicContact CG-CD1 4.01Å; L143-L147 HydrophobicContact CG-CG 4.4Å; L143-L147 WeakPolarHBondContact O-CG 3.18Å; L143-L147 PolarHBondContact O-N 3.37Å; H144-L147 PolarHBondContact O-N 3.24Å; L147-A150 PolarHBondContact O-N 2.81Å; L147-E151 PolarHBondContact O-N 2.74Å
148S85.3Confident87.6Confident33 Ų3380.4 Ų80.423%0.23142%0.416CS..Hα-helixtrans-60.4-46.9176-1800000110.8F117 H144 A150 E151 S152F117-S148 WeakPolarHBondContact CD1-OG 3.34Å; H144-S148 WeakPolarHBondContact O-CB 3.33Å; H144-S148 PolarHBondContact O-N 2.82Å; S148-A150 VanDerWaalsContact C-N 3.32Å; S148-A150 PolarHBondContact O-N 3.32Å; S148-E151 WeakPolarHBondContact O-CB 3.46Å; S148-E151 PolarHBondContact O-N 2.82Å; S148-E151 VanDerWaalsContact O-N 3.17Å; S148-S152 PolarHBondContact O-N 2.89Å; S148-S152 PolarHBondContact O-OG 2.93Å
149R86.2Confident87.7Confident155 Ų15578.9 Ų78.959%0.58540%0.404SS*.Hα-helixtrans-59.8-41174.1-174176.3-177.281.56112.8F117 H145 F153F117-R149 HydrophobicContact CE1-CB 4.33Å; F117-R149 HydrophobicContact CZ-CB 3.97Å; F117-R149 HydrophobicContact CZ-CG 4.33Å; H145-R149 WeakPolarHBondContact O-CB 3.41Å; H145-R149 PolarHBondContact O-N 2.89Å; R149-F153 WeakPolarHBondContact O-CB 3.43Å; R149-F153 PolarHBondContact O-N 3.28Å
150A90.5Very high87.7Confident59 Ų5980.7 Ų80.749%0.48840%0.401SS..Hα-helixtrans-66.9-36.7177.700000112.1Y146 L147 S148 G154Y146-A150 WeakPolarHBondContact O-CB 3.32Å; Y146-A150 PolarHBondContact O-N 2.93Å; L147-A150 PolarHBondContact O-N 2.81Å; S148-A150 VanDerWaalsContact C-N 3.32Å; S148-A150 PolarHBondContact O-N 3.32Å; A150-G154 PolarHBondContact O-N 3.43Å
151E87.8Confident87.9Confident103 Ų10381.4 Ų81.448%0.48140%0.402SS..Hα-helixtrans-63.6-52.3173.1-176-173.4159.300111.1R21 L147 S148 F153 G154 I155R21-E151 IonicContact CZ-OE1 3.67Å; R21-E151 IonicContact NH1-OE1 3.47Å; R21-E151 PolarHBondContact NH1-OE1 3.28Å; R21-E151 IonicContact NH2-OE1 3.99Å; L147-E151 PolarHBondContact O-N 2.74Å; S148-E151 WeakPolarHBondContact O-CB 3.46Å; S148-E151 PolarHBondContact O-N 2.82Å; S148-E151 VanDerWaalsContact O-N 3.17Å; E151-F153 VanDerWaalsContact C-N 3.27Å; E151-F153 PolarHBondContact O-N 2.97Å; E151-G154 CarbonylContact O-C 3.52Å; E151-G154 WeakPolarHBondContact O-CA 3.4Å; E151-G154 PolarHBondContact O-N 2.94Å; E151-I155 HydrophobicContact CG-CD1 3.96Å; E151-I155 HydrophobicContact CG-CG1 4.49Å; E151-I155 WeakPolarHBondContact O-CG1 3.37Å; E151-I155 PolarHBondContact O-N 2.05Å
152S83.7Confident88.2Confident35 Ų3583.5 Ų83.525%0.24541%0.408CS..Hα-helixtrans-55.5-45.3178.8-56.90000111.3S148 G154 I155 E156S148-S152 PolarHBondContact O-N 2.89Å; S148-S152 PolarHBondContact O-OG 2.93Å; S152-G154 PolarHBondContact O-N 2.78Å; S152-I155 PolarHBondContact O-N 2.98Å; S152-E156 PolarHBondContact O-N 2.86Å
153F86.4Confident88.3Confident117 Ų11780 Ų8051%0.51339%0.388SS..Hα-helixtrans-63.3-39.6175.8-176.3-108000112.6R149 E151 I155 E156 L157R149-F153 WeakPolarHBondContact O-CB 3.43Å; R149-F153 PolarHBondContact O-N 3.28Å; E151-F153 VanDerWaalsContact C-N 3.27Å; E151-F153 PolarHBondContact O-N 2.97Å; F153-I155 VanDerWaalsContact C-N 3.32Å; F153-I155 PolarHBondContact O-N 3.4Å; F153-E156 PolarHBondContact O-N 3.09Å; F153-L157 HydrophobicContact CD1-CD1 3.92Å; F153-L157 HydrophobicContact CD1-CG 4.44Å; F153-L157 HydrophobicContact CE1-CD1 3.42Å; F153-L157 VanDerWaalsContact CE1-CD1 3.42Å; F153-L157 HydrophobicContact CE1-CG 4.07Å; F153-L157 HydrophobicContact CE2-CG 4.48Å; F153-L157 HydrophobicContact CZ-CD1 3.83Å; F153-L157 HydrophobicContact CZ-CD2 4.2Å; F153-L157 HydrophobicContact CZ-CG 4.09Å; F153-L157 WeakPolarHBondContact O-CG 3.27Å; F153-L157 PolarHBondContact O-N 3.01Å
154G90Very high88.3Confident36 Ų3680.2 Ų80.237%0.37139%0.389SS..Hα-helixtrans-64.5-34.9175.300000113.2A150 E151 S152 K158A150-G154 PolarHBondContact O-N 3.43Å; E151-G154 CarbonylContact O-C 3.52Å; E151-G154 WeakPolarHBondContact O-CA 3.4Å; E151-G154 PolarHBondContact O-N 2.94Å; S152-G154 PolarHBondContact O-N 2.78Å; G154-K158 WeakPolarHBondContact O-CB 3.14Å; G154-K158 PolarHBondContact O-N 2.87Å
155I87.1Confident88.6Confident19 Ų1983.9 Ų83.910%0.09741%0.405CS..Hα-helixtrans-69.2-45.8176-68.4168.1000110.7Y109 E151 S152 F153 L157 K158 N159Y109-I155 HydrophobicContact CE2-CG2 4.26Å; Y109-I155 WeakPolarHBondContact OH-CG2 3.35Å; E151-I155 HydrophobicContact CG-CD1 3.96Å; E151-I155 HydrophobicContact CG-CG1 4.49Å; E151-I155 WeakPolarHBondContact O-CG1 3.37Å; E151-I155 PolarHBondContact O-N 2.05Å; S152-I155 PolarHBondContact O-N 2.98Å; F153-I155 VanDerWaalsContact C-N 3.32Å; F153-I155 PolarHBondContact O-N 3.4Å; I155-L157 VanDerWaalsContact C-N 3.35Å; I155-L157 PolarHBondContact O-N 3.45Å; I155-K158 PolarHBondContact O-N 2.8Å; I155-N159 VanDerWaalsContact O-CG 3.27Å; I155-N159 PolarHBondContact O-N 2.87Å; I155-N159 PolarHBondContact O-ND2 3.11Å
156E85.3Confident88.9Confident114 Ų11482 Ų8253%0.53340%0.398SS..Hα-helixtrans-55.9-49.4175.9-172.4-168.8151.800111.1S152 F153 K158 N159 R160S152-E156 PolarHBondContact O-N 2.86Å; F153-E156 PolarHBondContact O-N 3.09Å; E156-K158 PolarHBondContact O-N 3.13Å; E156-N159 PolarHBondContact O-N 2.91Å; E156-R160 PolarHBondContact O-N 3.48Å
157L89.5Confident88.9Confident50 Ų5077.8 Ų77.826%0.26239%0.387SS..Hα-helixtrans-59.4-45.1176-71.7-179.9000112.2F153 I155 N159 R160 D161F153-L157 HydrophobicContact CD1-CD1 3.92Å; F153-L157 HydrophobicContact CD1-CG 4.44Å; F153-L157 HydrophobicContact CE1-CD1 3.42Å; F153-L157 VanDerWaalsContact CE1-CD1 3.42Å; F153-L157 HydrophobicContact CE1-CG 4.07Å; F153-L157 HydrophobicContact CE2-CG 4.48Å; F153-L157 HydrophobicContact CZ-CD1 3.83Å; F153-L157 HydrophobicContact CZ-CD2 4.2Å; F153-L157 HydrophobicContact CZ-CG 4.09Å; F153-L157 WeakPolarHBondContact O-CG 3.27Å; F153-L157 PolarHBondContact O-N 3.01Å; I155-L157 VanDerWaalsContact C-N 3.35Å; I155-L157 PolarHBondContact O-N 3.45Å; L157-N159 VanDerWaalsContact C-N 3.32Å; L157-N159 PolarHBondContact O-N 3.36Å; L157-R160 VanDerWaalsContact CD2-NH2 3.33Å; L157-R160 PolarHBondContact O-N 3.47Å; L157-D161 WeakPolarHBondContact O-CB 3.39Å; L157-D161 VanDerWaalsContact O-CG 3.23Å; L157-D161 PolarHBondContact O-N 2.84Å
158K91.7Very high89.1Confident130 Ų13075.3 Ų75.357%0.56538%0.382SS*.Hα-helixtrans-62.4-39.2178.7-176-17764.2167.10111.9G154 I155 E156 D161 Y162G154-K158 WeakPolarHBondContact O-CB 3.14Å; G154-K158 PolarHBondContact O-N 2.87Å; I155-K158 PolarHBondContact O-N 2.8Å; E156-K158 PolarHBondContact O-N 3.13Å; K158-D161 PolarHBondContact O-N 2.84Å; K158-Y162 VanDerWaalsContact O-CB 3.3Å; K158-Y162 WeakPolarHBondContact O-CB 3.35Å; K158-Y162 PolarHBondContact O-N 3.17Å
159N86.2Confident89.5Confident17 Ų1778.6 Ų78.69%0.09139%0.394CS..Hα-helixtrans-66.1-41.4178.2-70.3-19.2000111.2Y109 I155 E156 L157 Y162 G163Y109-N159 WeakPolarHBondContact CD1-ND2 3.27Å; Y109-N159 WeakPolarHBondContact CD2-ND2 3.46Å; Y109-N159 WeakPolarHBondContact CE1-ND2 3.08Å; Y109-N159 WeakPolarHBondContact CE2-ND2 3.28Å; I155-N159 VanDerWaalsContact O-CG 3.27Å; I155-N159 PolarHBondContact O-N 2.87Å; I155-N159 PolarHBondContact O-ND2 3.11Å; E156-N159 PolarHBondContact O-N 2.91Å; L157-N159 VanDerWaalsContact C-N 3.32Å; L157-N159 PolarHBondContact O-N 3.36Å; N159-Y162 PolarHBondContact O-N 3.06Å; N159-G163 PolarHBondContact O-N 2.94Å
160R89.5Confident89.6Confident123 Ų12375.7 Ų75.746%0.46439%0.39SS..Hα-helixtrans-63.8-47.9174.5-170.4-179.270.5-153.2-1.6111.9E156 L157 Y162 G163 D164E156-R160 PolarHBondContact O-N 3.48Å; L157-R160 VanDerWaalsContact CD2-NH2 3.33Å; L157-R160 PolarHBondContact O-N 3.47Å; R160-Y162 PolarHBondContact O-N 2.89Å; R160-G163 PolarHBondContact O-N 2.84Å; R160-D164 PolarHBondContact O-N 3.15Å
161D92.2Very high89.7Confident90 Ų9077.9 Ų77.948%0.48139%0.393SS..Hα-helixtrans-60.9-34.8177.9-69.6-7.3000111.3L157 K158 F165L157-D161 WeakPolarHBondContact O-CB 3.39Å; L157-D161 VanDerWaalsContact O-CG 3.23Å; L157-D161 PolarHBondContact O-N 2.84Å; K158-D161 PolarHBondContact O-N 2.84Å; D161-F165 VanDerWaalsContact O-CB 3.3Å; D161-F165 WeakPolarHBondContact O-CB 3.24Å; D161-F165 PolarHBondContact O-N 3.36Å
162Y89.9Confident90.1Very high114 Ų11477.9 Ų77.945%0.44740%0.396SS..Hα-helixtrans-66.4-40.7174.5-172.3-107.8000111.9I51 L107 K158 N159 R160 F165 L166I51-Y162 HydrophobicContact CD1-CD1 4.48Å; I51-Y162 HydrophobicContact CG2-CD1 4.05Å; L107-Y162 HydrophobicContact CD2-CD1 4.35Å; L107-Y162 HydrophobicContact CD2-CE1 3.78Å; K158-Y162 VanDerWaalsContact O-CB 3.3Å; K158-Y162 WeakPolarHBondContact O-CB 3.35Å; K158-Y162 PolarHBondContact O-N 3.17Å; N159-Y162 PolarHBondContact O-N 3.06Å; R160-Y162 PolarHBondContact O-N 2.89Å; Y162-F165 PolarHBondContact O-N 3.32Å; Y162-L166 HydrophobicContact CD1-CD1 3.95Å; Y162-L166 HydrophobicContact CD1-CG 4.44Å; Y162-L166 HydrophobicContact CE1-CD1 3.58Å; Y162-L166 HydrophobicContact CE1-CD2 4.47Å; Y162-L166 HydrophobicContact CE1-CG 4.15Å; Y162-L166 WeakPolarHBondContact O-CG 3.09Å; Y162-L166 PolarHBondContact O-N 3.36Å
163G89.8Confident90.6Very high5 Ų579.6 Ų79.65%0.05241%0.408CS..Hα-helixtrans-61.9-47.3173.100000112.6N159 R160 F165 L166 V167N159-G163 PolarHBondContact O-N 2.94Å; R160-G163 PolarHBondContact O-N 2.84Å; G163-F165 VanDerWaalsContact C-N 3.28Å; G163-F165 PolarHBondContact O-N 2.83Å; G163-L166 PolarHBondContact O-N 3.39Å; G163-V167 WeakPolarHBondContact O-CG2 3.38Å; G163-V167 PolarHBondContact O-N 2.93Å; G163-V167 VanDerWaalsContact O-N 3.09Å
164D90Very high91Very high101 Ų10176.1 Ų76.154%0.5440%0.402SS..Hα-helixtrans-59.8-40.5176.4-72.4-17.2000111.5R160 A168R160-D164 PolarHBondContact O-N 3.15Å; D164-A168 VanDerWaalsContact O-CB 3.32Å; D164-A168 WeakPolarHBondContact O-CB 3.12Å; D164-A168 PolarHBondContact O-N 3.14Å
165F94.7Very high91.4Very high126 Ų12678.6 Ų78.655%0.55341%0.409SS*.Hα-helixtrans-63.1-44.1176.1173.8-99.5000112.6D161 Y162 G163 A168 E169D161-F165 VanDerWaalsContact O-CB 3.3Å; D161-F165 WeakPolarHBondContact O-CB 3.24Å; D161-F165 PolarHBondContact O-N 3.36Å; Y162-F165 PolarHBondContact O-N 3.32Å; G163-F165 VanDerWaalsContact C-N 3.28Å; G163-F165 PolarHBondContact O-N 2.83Å; F165-A168 PolarHBondContact O-N 3.47Å; F165-E169 PolarHBondContact O-N 2.85Å
166L90.8Very high91.9Very high37 Ų3784.3 Ų84.319%0.19443%0.433CS..Hα-helixtrans-62.3-46.5178.6-70.8174.2000111.6I51 H52 L107 Y162 G163 A168 E169 D170I51-L166 HydrophobicContact CG2-CD1 4.27Å; H52-L166 HydrophobicContact CB-CD1 4.03Å; L107-L166 HydrophobicContact CD2-CD1 3.73Å; Y162-L166 HydrophobicContact CD1-CD1 3.95Å; Y162-L166 HydrophobicContact CD1-CG 4.44Å; Y162-L166 HydrophobicContact CE1-CD1 3.58Å; Y162-L166 HydrophobicContact CE1-CD2 4.47Å; Y162-L166 HydrophobicContact CE1-CG 4.15Å; Y162-L166 WeakPolarHBondContact O-CG 3.09Å; Y162-L166 PolarHBondContact O-N 3.36Å; G163-L166 PolarHBondContact O-N 3.39Å; L166-A168 VanDerWaalsContact C-N 3.29Å; L166-A168 PolarHBondContact O-N 3.37Å; L166-E169 PolarHBondContact O-N 3.41Å; L166-D170 PolarHBondContact O-N 2.62Å; L166-D170 VanDerWaalsContact O-N 3.11Å
167V90.7Very high92.4Very high62 Ų6282.4 Ų82.438%0.37643%0.429SS..Hα-helixtrans-61.5-40.9176.6175.20000111H52 G163 L171H52-V167 WeakPolarHBondContact ND1-CG2 3.49Å; G163-V167 WeakPolarHBondContact O-CG2 3.38Å; G163-V167 PolarHBondContact O-N 2.93Å; G163-V167 VanDerWaalsContact O-N 3.09Å; V167-L171 HydrophobicContact CG1-CD1 3.79Å; V167-L171 HydrophobicContact CG1-CG 4.31Å; V167-L171 WeakPolarHBondContact O-CB 3.41Å; V167-L171 VanDerWaalsContact O-CG 3.27Å; V167-L171 WeakPolarHBondContact O-CG 3.39Å; V167-L171 PolarHBondContact O-N 3.4Å
168A93.7Very high92.8Very high56 Ų5688 Ų8846%0.46345%0.447SS..Hα-helixtrans-63-42.3178.400000112.1D164 F165 L166 N172D164-A168 VanDerWaalsContact O-CB 3.32Å; D164-A168 WeakPolarHBondContact O-CB 3.12Å; D164-A168 PolarHBondContact O-N 3.14Å; F165-A168 PolarHBondContact O-N 3.47Å; L166-A168 VanDerWaalsContact C-N 3.29Å; L166-A168 PolarHBondContact O-N 3.37Å; A168-N172 WeakPolarHBondContact O-CB 3.47Å; A168-N172 PolarHBondContact O-N 3.16Å
169E93Very high93.1Very high101 Ų10184.6 Ų84.647%0.47244%0.44SS..Hα-helixtrans-66.6-44179.8-177.869139.200112F165 L166 L171 N172 S173F165-E169 PolarHBondContact O-N 2.85Å; L166-E169 PolarHBondContact O-N 3.41Å; E169-L171 PolarHBondContact O-N 3.16Å; E169-N172 PolarHBondContact O-N 3.06Å; E169-S173 WeakPolarHBondContact O-CB 3.46Å; E169-S173 PolarHBondContact O-N 2.76Å
170D89.6Confident93.7Very high95 Ų9587.6 Ų87.651%0.50846%0.459SS..Hα-helixtrans-61.4-46.3177.7-74.6-20.7000111.8H52 L166 A174H52-D170 IonicContact CE1-OD2 2.76Å; H52-D170 PolarHBondContact CE1-OD2 3.12Å; H52-D170 IonicContact NE2-OD2 3.32Å; H52-D170 PolarHBondContact NE2-OD2 2.8Å; L166-D170 PolarHBondContact O-N 2.62Å; L166-D170 VanDerWaalsContact O-N 3.11Å; D170-A174 PolarHBondContact O-N 3.19Å; D170-A174 VanDerWaalsContact O-N 3.16Å
171L92.3Very high94.1Very high105 Ų10585.5 Ų85.555%0.5546%0.456SS..Hα-helixtrans-67.1-42.8178-70.5177.1000111.7V167 E169 S173 A174 V175V167-L171 HydrophobicContact CG1-CD1 3.79Å; V167-L171 HydrophobicContact CG1-CG 4.31Å; V167-L171 WeakPolarHBondContact O-CB 3.41Å; V167-L171 VanDerWaalsContact O-CG 3.27Å; V167-L171 WeakPolarHBondContact O-CG 3.39Å; V167-L171 PolarHBondContact O-N 3.4Å; E169-L171 PolarHBondContact O-N 3.16Å; L171-S173 PolarHBondContact O-N 3.15Å; L171-A174 PolarHBondContact O-N 3.06Å; L171-V175 VanDerWaalsContact O-CB 3.27Å; L171-V175 WeakPolarHBondContact O-CB 3.45Å; L171-V175 WeakPolarHBondContact O-CG2 3.17Å; L171-V175 PolarHBondContact O-N 3.12Å
172N95.9Very high94.4Very high102 Ų10286 Ų8655%0.54546%0.458SS..Hα-helixtrans-59-47.5179.5175.153.1000111.3A168 E169 F176A168-N172 WeakPolarHBondContact O-CB 3.47Å; A168-N172 PolarHBondContact O-N 3.16Å; E169-N172 PolarHBondContact O-N 3.06Å; N172-F176 VanDerWaalsContact O-CB 3.27Å; N172-F176 WeakPolarHBondContact O-CB 3.27Å; N172-F176 PolarHBondContact O-N 3.14Å
173S94.1Very high94.7Very high71 Ų7184.5 Ų84.550%0.49746%0.46SS..Hα-helixtrans-61.1-48.1177.8-176.10000112.1E169 L171 F176 V177E169-S173 WeakPolarHBondContact O-CB 3.46Å; E169-S173 PolarHBondContact O-N 2.76Å; L171-S173 PolarHBondContact O-N 3.15Å; S173-F176 PolarHBondContact O-N 3.48Å; S173-V177 WeakPolarHBondContact O-CG2 3.16Å; S173-V177 PolarHBondContact O-N 3Å; S173-V177 VanDerWaalsContact O-N 3.14Å
174A94.9Very high95.1Very high45 Ų4590.6 Ų90.637%0.37249%0.485SS..Hα-helixtrans-63.9-47.2179.200000112.2D170 L171 F176 V177 W178D170-A174 PolarHBondContact O-N 3.19Å; D170-A174 VanDerWaalsContact O-N 3.16Å; L171-A174 PolarHBondContact O-N 3.06Å; A174-F176 VanDerWaalsContact C-N 3.29Å; A174-F176 PolarHBondContact O-N 2.7Å; A174-V177 PolarHBondContact O-N 3.47Å; A174-W178 PolarHBondContact O-N 3.25Å
175V97.5Very high95.5Very high87 Ų8789.2 Ų89.253%0.52748%0.481SS..Hα-helixtrans-62.1-38.7179.1170.30000110.9L171 S179L171-V175 VanDerWaalsContact O-CB 3.27Å; L171-V175 WeakPolarHBondContact O-CB 3.45Å; L171-V175 WeakPolarHBondContact O-CG2 3.17Å; L171-V175 PolarHBondContact O-N 3.12Å; V175-S179 VanDerWaalsContact O-CB 3.23Å; V175-S179 WeakPolarHBondContact O-CB 3.23Å; V175-S179 PolarHBondContact O-N 2.88Å; V175-S179 PolarHBondContact O-OG 3.27Å
176F97.7Very high95.7Very high139 Ų13987.2 Ų87.261%0.6148%0.478SS*.Hα-helixtrans-60.4-50.2175.6176.8-102.5000111.5N172 S173 A174 W178 S179 V180N172-F176 VanDerWaalsContact O-CB 3.27Å; N172-F176 WeakPolarHBondContact O-CB 3.27Å; N172-F176 PolarHBondContact O-N 3.14Å; S173-F176 PolarHBondContact O-N 3.48Å; A174-F176 VanDerWaalsContact C-N 3.29Å; A174-F176 PolarHBondContact O-N 2.7Å; F176-W178 PolarHBondContact O-N 3.02Å; F176-S179 PolarHBondContact O-N 3.47Å; F176-V180 HydrophobicContact CE1-CG2 4.25Å; F176-V180 HydrophobicContact CE2-CG2 4.28Å; F176-V180 HydrophobicContact CZ-CG2 4.07Å; F176-V180 WeakPolarHBondContact O-CG2 3.4Å; F176-V180 PolarHBondContact O-N 2.78Å
177V96.7Very high96Very high74 Ų7490 Ų9045%0.44849%0.492SS..Hα-helixtrans-60.7-47.1179173.50000111.4S173 A174 S179 V180 I181S173-V177 WeakPolarHBondContact O-CG2 3.16Å; S173-V177 PolarHBondContact O-N 3Å; S173-V177 VanDerWaalsContact O-N 3.14Å; A174-V177 PolarHBondContact O-N 3.47Å; V177-S179 VanDerWaalsContact C-N 3.33Å; V177-S179 PolarHBondContact O-N 2.99Å; V177-V180 PolarHBondContact O-N 3.09Å; V177-I181 HydrophobicContact CG1-CD1 4.05Å; V177-I181 WeakPolarHBondContact O-CG1 3.39Å; V177-I181 PolarHBondContact O-N 3.29Å; V177-I181 VanDerWaalsContact O-N 3.09Å
178W97.9Very high96.4Very high167 Ų16791.4 Ų91.463%0.63350%0.497SS*.Hα-helixtrans-62.8-39177.7-76.5114.7000112.4A174 F176 V180 I181 I182A174-W178 PolarHBondContact O-N 3.25Å; F176-W178 PolarHBondContact O-N 3.02Å; W178-V180 PolarHBondContact O-N 3.38Å; W178-I181 HydrophobicContact CE3-CD1 4.2Å; W178-I181 HydrophobicContact CZ3-CD1 4.39Å; W178-I181 PolarHBondContact O-N 3.42Å; W178-I182 VanDerWaalsContact O-CG1 3.28Å; W178-I182 WeakPolarHBondContact O-CG1 3.37Å; W178-I182 PolarHBondContact O-N 3.22Å
179S97.8Very high96.5Very high59 Ų5992 Ų9241%0.41350%0.495SS..Hα-helixtrans-64.3-39.5177.5-61.40000112.2V175 F176 V177 I182 T183V175-S179 VanDerWaalsContact O-CB 3.23Å; V175-S179 WeakPolarHBondContact O-CB 3.23Å; V175-S179 PolarHBondContact O-N 2.88Å; V175-S179 PolarHBondContact O-OG 3.27Å; F176-S179 PolarHBondContact O-N 3.47Å; V177-S179 VanDerWaalsContact C-N 3.33Å; V177-S179 PolarHBondContact O-N 2.99Å; S179-I182 PolarHBondContact O-N 2.73Å; S179-T183 WeakPolarHBondContact O-CB 3.28Å; S179-T183 PolarHBondContact O-N 3.35Å; S179-T183 PolarHBondContact O-OG1 3.49Å
180V98.1Very high96.7Very high81 Ų8189.7 Ų89.749%0.49149%0.49SS..Hα-helixtrans-62.9-45.8174.7171.50000110.8F176 V177 W178 T183 F184F176-V180 HydrophobicContact CE1-CG2 4.25Å; F176-V180 HydrophobicContact CE2-CG2 4.28Å; F176-V180 HydrophobicContact CZ-CG2 4.07Å; F176-V180 WeakPolarHBondContact O-CG2 3.4Å; F176-V180 PolarHBondContact O-N 2.78Å; V177-V180 PolarHBondContact O-N 3.09Å; W178-V180 PolarHBondContact O-N 3.38Å; V180-T183 PolarHBondContact O-N 3.42Å; V180-F184 PolarHBondContact O-N 2.92Å
181I98.2Very high97Very high78 Ų7889.2 Ų89.240%0.449%0.49SS..Hα-helixtrans-60.2-49.7177.7-67.3168000110.6V177 W178 T183 F184 V185V177-I181 HydrophobicContact CG1-CD1 4.05Å; V177-I181 WeakPolarHBondContact O-CG1 3.39Å; V177-I181 PolarHBondContact O-N 3.29Å; V177-I181 VanDerWaalsContact O-N 3.09Å; W178-I181 HydrophobicContact CE3-CD1 4.2Å; W178-I181 HydrophobicContact CZ3-CD1 4.39Å; W178-I181 PolarHBondContact O-N 3.42Å; I181-T183 VanDerWaalsContact C-N 3.33Å; I181-T183 PolarHBondContact O-N 2.93Å; I181-F184 PolarHBondContact O-N 3.3Å; I181-V185 WeakPolarHBondContact O-CG2 3.37Å; I181-V185 PolarHBondContact O-N 3.05Å
182I98.1Very high97.2Very high102 Ų10285.5 Ų85.552%0.52348%0.478SS..Hα-helixtrans-60.9-43179.5-67.5-62.5000111.1W178 S179 F184 V185 V186W178-I182 VanDerWaalsContact O-CG1 3.28Å; W178-I182 WeakPolarHBondContact O-CG1 3.37Å; W178-I182 PolarHBondContact O-N 3.22Å; S179-I182 PolarHBondContact O-N 2.73Å; I182-F184 VanDerWaalsContact C-N 3.31Å; I182-F184 PolarHBondContact O-N 3.04Å; I182-V185 PolarHBondContact O-N 3.3Å; I182-V186 HydrophobicContact CG2-CG2 4.41Å; I182-V186 WeakPolarHBondContact O-CG2 3.35Å; I182-V186 PolarHBondContact O-N 3.01Å
183T98Very high97.2Very high81 Ų8187.1 Ų87.150%0.49748%0.482SS..Hα-helixtrans-58.5-44177.3-590000111.3S179 V180 I181 V186 I187S179-T183 WeakPolarHBondContact O-CB 3.28Å; S179-T183 PolarHBondContact O-N 3.35Å; S179-T183 PolarHBondContact O-OG1 3.49Å; V180-T183 PolarHBondContact O-N 3.42Å; I181-T183 VanDerWaalsContact C-N 3.33Å; I181-T183 PolarHBondContact O-N 2.93Å; T183-V186 PolarHBondContact O-N 2.94Å; T183-I187 HydrophobicContact CG2-CD1 4.16Å; T183-I187 WeakPolarHBondContact O-CG1 3.35Å; T183-I187 PolarHBondContact O-N 3.22Å
184F98.2Very high97.3Very high133 Ų13387.3 Ų87.358%0.58348%0.48SS*.Hα-helixtrans-63.9-42.1177.9-170.4-108.2000112.4V180 I181 I182 V186 I187 I188V180-F184 PolarHBondContact O-N 2.92Å; I181-F184 PolarHBondContact O-N 3.3Å; I182-F184 VanDerWaalsContact C-N 3.31Å; I182-F184 PolarHBondContact O-N 3.04Å; F184-V186 VanDerWaalsContact C-N 3.34Å; F184-V186 PolarHBondContact O-N 2.84Å; F184-I187 PolarHBondContact O-N 3.02Å; F184-I188 HydrophobicContact CD1-CD1 3.57Å; F184-I188 HydrophobicContact CD1-CG1 4.48Å; F184-I188 HydrophobicContact CE1-CD1 3.24Å; F184-I188 HydrophobicContact CE1-CG1 4.27Å; F184-I188 HydrophobicContact CG-CD1 4.38Å; F184-I188 HydrophobicContact CZ-CD1 3.8Å; F184-I188 HydrophobicContact CZ-CG1 4.46Å; F184-I188 WeakPolarHBondContact O-CG1 3.39Å; F184-I188 PolarHBondContact O-N 3.35Å
185V98.2Very high97.2Very high73 Ų7389.1 Ų89.144%0.44249%0.487SS..Hα-helixtrans-61.9-41.4175.31730000111.4I181 I182 I188 T189I181-V185 WeakPolarHBondContact O-CG2 3.37Å; I181-V185 PolarHBondContact O-N 3.05Å; I182-V185 PolarHBondContact O-N 3.3Å; V185-I188 PolarHBondContact O-N 2.99Å; V185-T189 HydrophobicContact CG1-CG2 4.38Å; V185-T189 WeakPolarHBondContact O-CB 3.38Å; V185-T189 WeakPolarHBondContact O-CG2 3.25Å; V185-T189 PolarHBondContact O-N 3.09Å; V185-T189 PolarHBondContact O-OG1 2.95Å
186V98.2Very high97Very high83 Ų8391 Ų9150%0.50349%0.492SS..Hα-helixtrans-63.9-41.5176.4171.90000111.5I182 T183 F184 T189 S190I182-V186 HydrophobicContact CG2-CG2 4.41Å; I182-V186 WeakPolarHBondContact O-CG2 3.35Å; I182-V186 PolarHBondContact O-N 3.01Å; T183-V186 PolarHBondContact O-N 2.94Å; F184-V186 VanDerWaalsContact C-N 3.34Å; F184-V186 PolarHBondContact O-N 2.84Å; V186-T189 WeakPolarHBondContact CA-OG1 3.41Å; V186-T189 PolarHBondContact O-OG1 3.28Å; V186-S190 WeakPolarHBondContact O-CB 3.47Å; V186-S190 PolarHBondContact O-N 2.95Å; V186-S190 PolarHBondContact O-OG 3.34Å; V186-S190 VanDerWaalsContact O-OG 3.09Å
187I97.8Very high96.8Very high95 Ų9589.3 Ų89.349%0.48749%0.489SS..Hα-helixtrans-62.2-46.5175.5-68.1167.6000110.7T183 F184 T189 S190 V191T183-I187 HydrophobicContact CG2-CD1 4.16Å; T183-I187 WeakPolarHBondContact O-CG1 3.35Å; T183-I187 PolarHBondContact O-N 3.22Å; F184-I187 PolarHBondContact O-N 3.02Å; I187-T189 PolarHBondContact O-N 3.47Å; I187-S190 PolarHBondContact O-N 2.98Å; I187-S190 PolarHBondContact O-OG 2.85Å; I187-V191 WeakPolarHBondContact O-CG2 3.48Å; I187-V191 PolarHBondContact O-N 3.38Å
188I97.6Very high96.5Very high93 Ų9392.7 Ų92.748%0.47750%0.498SS..Hα-helixtrans-61.7-48.3179.8-71.4169000111.3F184 V185 S190 V191 G192F184-I188 HydrophobicContact CD1-CD1 3.57Å; F184-I188 HydrophobicContact CD1-CG1 4.48Å; F184-I188 HydrophobicContact CE1-CD1 3.24Å; F184-I188 HydrophobicContact CE1-CG1 4.27Å; F184-I188 HydrophobicContact CG-CD1 4.38Å; F184-I188 HydrophobicContact CZ-CD1 3.8Å; F184-I188 HydrophobicContact CZ-CG1 4.46Å; F184-I188 WeakPolarHBondContact O-CG1 3.39Å; F184-I188 PolarHBondContact O-N 3.35Å; V185-I188 PolarHBondContact O-N 2.99Å; I188-S190 PolarHBondContact O-N 3.43Å; I188-V191 PolarHBondContact O-N 3.06Å; I188-G192 PolarHBondContact O-N 3.42Å
189T97.5Very high96.2Very high69 Ų6990.8 Ų90.842%0.42350%0.5SS..Hα-helixtrans-65.2-38.2-178.551.40000112.1V185 V186 I187 G192 Q193V185-T189 HydrophobicContact CG1-CG2 4.38Å; V185-T189 WeakPolarHBondContact O-CB 3.38Å; V185-T189 WeakPolarHBondContact O-CG2 3.25Å; V185-T189 PolarHBondContact O-N 3.09Å; V185-T189 PolarHBondContact O-OG1 2.95Å; V186-T189 WeakPolarHBondContact CA-OG1 3.41Å; V186-T189 PolarHBondContact O-OG1 3.28Å; I187-T189 PolarHBondContact O-N 3.47Å; T189-G192 PolarHBondContact O-N 3.48Å; T189-Q193 WeakPolarHBondContact O-CB 3.44Å; T189-Q193 VanDerWaalsContact O-CG 3.25Å; T189-Q193 WeakPolarHBondContact O-CG 3.33Å; T189-Q193 PolarHBondContact O-N 3.34Å
190S96.9Very high95.7Very high51 Ų5196 Ų9636%0.35752%0.515SS..Hα-helixtrans-65.8-43.3175.565.70000112.6V186 I187 I188 G192 Q193 V194V186-S190 WeakPolarHBondContact O-CB 3.47Å; V186-S190 PolarHBondContact O-N 2.95Å; V186-S190 PolarHBondContact O-OG 3.34Å; V186-S190 VanDerWaalsContact O-OG 3.09Å; I187-S190 PolarHBondContact O-N 2.98Å; I187-S190 PolarHBondContact O-OG 2.85Å; I188-S190 PolarHBondContact O-N 3.43Å; S190-G192 VanDerWaalsContact C-N 3.32Å; S190-G192 PolarHBondContact O-N 3.47Å; S190-Q193 PolarHBondContact O-N 3.46Å; S190-V194 WeakPolarHBondContact O-CG2 3.38Å; S190-V194 PolarHBondContact O-N 2.96Å
191V96.3Very high95.3Very high85 Ų8599.1 Ų99.152%0.51552%0.523SS..Hα-helixtrans-62.3-41.3173.5173.50000111I187 I188 V194 T195I187-V191 WeakPolarHBondContact O-CG2 3.48Å; I187-V191 PolarHBondContact O-N 3.38Å; I188-V191 PolarHBondContact O-N 3.06Å; V191-V194 PolarHBondContact O-N 2.9Å; V191-T195 WeakPolarHBondContact O-CB 3.34Å; V191-T195 PolarHBondContact O-N 3.48Å; V191-T195 PolarHBondContact O-OG1 2.97Å
192G95.3Very high94.5Very high28 Ų2899.3 Ų99.329%0.28953%0.531SS..Hα-helixtrans-58.5-51.5174.100000112.2I188 T189 S190 V194 T195 I196I188-G192 PolarHBondContact O-N 3.42Å; T189-G192 PolarHBondContact O-N 3.48Å; S190-G192 VanDerWaalsContact C-N 3.32Å; S190-G192 PolarHBondContact O-N 3.47Å; G192-V194 PolarHBondContact O-N 3.42Å; G192-T195 PolarHBondContact O-N 2.92Å; G192-I196 VanDerWaalsContact O-CG1 3.27Å; G192-I196 WeakPolarHBondContact O-CG1 3.38Å; G192-I196 PolarHBondContact O-N 3.43Å
193Q95.5Very high93.6Very high135 Ų135103 Ų10363%0.63155%0.546SS*.Hα-helixtrans-57.5-47177.8-74.2171.50.600112T189 S190 T195 I196 L197T189-Q193 WeakPolarHBondContact O-CB 3.44Å; T189-Q193 VanDerWaalsContact O-CG 3.25Å; T189-Q193 WeakPolarHBondContact O-CG 3.33Å; T189-Q193 PolarHBondContact O-N 3.34Å; S190-Q193 PolarHBondContact O-N 3.46Å; Q193-T195 VanDerWaalsContact C-N 3.34Å; Q193-T195 PolarHBondContact O-N 2.88Å; Q193-I196 PolarHBondContact O-N 2.77Å; Q193-L197 WeakPolarHBondContact O-CB 3.41Å; Q193-L197 PolarHBondContact O-N 3.46Å
194V96.2Very high92.4Very high75 Ų75108.5 Ų108.546%0.45556%0.563SS.*Hα-helixtrans-63.5-40.6178.6172.40000111.4S190 V191 G192 L197 K198S190-V194 WeakPolarHBondContact O-CG2 3.38Å; S190-V194 PolarHBondContact O-N 2.96Å; V191-V194 PolarHBondContact O-N 2.9Å; G192-V194 PolarHBondContact O-N 3.42Å; V194-L197 PolarHBondContact O-N 2.94Å; V194-K198 HydrophobicContact CG1-CD 4.06Å; V194-K198 HydrophobicContact CG1-CG 4.42Å; V194-K198 WeakPolarHBondContact O-CB 3.3Å; V194-K198 VanDerWaalsContact O-CG 3.3Å; V194-K198 WeakPolarHBondContact O-CG 3.25Å; V194-K198 PolarHBondContact O-N 2.96Å
195T93.4Very high91.2Very high84 Ų84112.1 Ų112.152%0.51558%0.578SS.*Hα-helixtrans-67.4-43.1179.9-56.10000111.5V191 G192 Q193 K198 N199V191-T195 WeakPolarHBondContact O-CB 3.34Å; V191-T195 PolarHBondContact O-N 3.48Å; V191-T195 PolarHBondContact O-OG1 2.97Å; G192-T195 PolarHBondContact O-N 2.92Å; Q193-T195 VanDerWaalsContact C-N 3.34Å; Q193-T195 PolarHBondContact O-N 2.88Å; T195-K198 PolarHBondContact O-N 3.29Å; T195-N199 WeakPolarHBondContact O-CB 3.4Å; T195-N199 PolarHBondContact O-N 3.48Å
196I92.9Very high90Very high125 Ų125114.8 Ų114.864%0.64160%0.595SS**Hα-helixtrans-61.8-46.5176-67.6165.3000110.4G192 Q193 N199 F200G192-I196 VanDerWaalsContact O-CG1 3.27Å; G192-I196 WeakPolarHBondContact O-CG1 3.38Å; G192-I196 PolarHBondContact O-N 3.43Å; Q193-I196 PolarHBondContact O-N 2.77Å; I196-N199 PolarHBondContact O-N 3.48Å; I196-F200 PolarHBondContact O-N 3.36Å
197L93.2Very high88.5Confident104 Ų104115.1 Ų115.155%0.54561%0.606SS.*Hα-helixtrans-62.9-43.9178.8-167.579000111.8Q193 V194 N199 F200 F201Q193-L197 WeakPolarHBondContact O-CB 3.41Å; Q193-L197 PolarHBondContact O-N 3.46Å; V194-L197 PolarHBondContact O-N 2.94Å; L197-N199 VanDerWaalsContact C-N 3.31Å; L197-N199 PolarHBondContact O-N 2.96Å; L197-F200 WeakPolarHBondContact O-CB 3.27Å; L197-F200 PolarHBondContact O-N 3.22Å; L197-F201 HydrophobicContact CD1-CE2 3.83Å; L197-F201 HydrophobicContact CD2-CE2 4.4Å; L197-F201 HydrophobicContact CG-CD2 4.13Å; L197-F201 HydrophobicContact CG-CE2 3.82Å; L197-F201 VanDerWaalsContact O-CD2 3.25Å; L197-F201 WeakPolarHBondContact O-CD2 3.44Å; L197-F201 PolarHBondContact O-N 3.22Å
198K92Very high87.1Confident146 Ų146119.9 Ų119.964%0.63562%0.619SS**Hα-helixtrans-62.2-38.7175.8-77.1179.6176.9-176.70112.2V194 T195 F200 F201 S202V194-K198 HydrophobicContact CG1-CD 4.06Å; V194-K198 HydrophobicContact CG1-CG 4.42Å; V194-K198 WeakPolarHBondContact O-CB 3.3Å; V194-K198 VanDerWaalsContact O-CG 3.3Å; V194-K198 WeakPolarHBondContact O-CG 3.25Å; V194-K198 PolarHBondContact O-N 2.96Å; T195-K198 PolarHBondContact O-N 3.29Å; K198-F200 VanDerWaalsContact C-N 3.31Å; K198-F201 PolarHBondContact O-N 3.44Å; K198-S202 WeakPolarHBondContact O-CB 3.38Å; K198-S202 PolarHBondContact O-N 3.5Å
199N90.3Very high85.7Confident126 Ų126120.6 Ų120.667%0.67463%0.632SS**Hα-helixtrans-66.4-35177.1-166.725.1000111.8T195 I196 L197 F201 S202T195-N199 WeakPolarHBondContact O-CB 3.4Å; T195-N199 PolarHBondContact O-N 3.48Å; I196-N199 PolarHBondContact O-N 3.48Å; L197-N199 VanDerWaalsContact C-N 3.31Å; L197-N199 PolarHBondContact O-N 2.96Å; N199-F201 PolarHBondContact O-N 3.19Å; N199-S202 PolarHBondContact O-N 3.01Å
200F88.4Confident84Confident168 Ų168121 Ų12174%0.73764%0.643SS**Hα-helixtrans-62.7-39.1175-172.5-96.3000112.8I196 L197 K198I196-F200 PolarHBondContact O-N 3.36Å; L197-F200 WeakPolarHBondContact O-CB 3.27Å; L197-F200 PolarHBondContact O-N 3.22Å; K198-F200 VanDerWaalsContact C-N 3.31Å
201F88.7Confident82.4Confident147 Ų147124.4 Ų124.465%0.64566%0.656SS**Hα-helixtrans-91.9-6.1-179.4-65.7-65000115.1L197 K198 N199 E203L197-F201 HydrophobicContact CD1-CE2 3.83Å; L197-F201 HydrophobicContact CD2-CE2 4.4Å; L197-F201 HydrophobicContact CG-CD2 4.13Å; L197-F201 HydrophobicContact CG-CE2 3.82Å; L197-F201 VanDerWaalsContact O-CD2 3.25Å; L197-F201 WeakPolarHBondContact O-CD2 3.44Å; L197-F201 PolarHBondContact O-N 3.22Å; K198-F201 PolarHBondContact O-N 3.44Å; N199-F201 PolarHBondContact O-N 3.19Å; F201-E203 PolarHBondContact O-N 3.32Å
202S82.6Confident80.6Confident83 Ų83125.7 Ų125.758%0.5867%0.666SS**  trans-77.486.8-179.9-176.80000110.6K198 N199 K204K198-S202 WeakPolarHBondContact O-CB 3.38Å; K198-S202 PolarHBondContact O-N 3.5Å; N199-S202 PolarHBondContact O-N 3.01Å; S202-K204 PolarHBondContact O-N 3.04Å
203E77.5Confident78.8Confident179 Ų179130.6 Ų130.684%0.83669%0.69SS**  trans-55.6127.7170.6-70.1177.3-178.300110.9F201 K205F201-E203 PolarHBondContact O-N 3.32Å; E203-K205 PolarHBondContact O-N 3.26Å
204K73.6Confident77.1Confident196 Ų196129 Ų12985%0.85269%0.694SS**  trans-70.5113.4172.9-60-178-175.7-176.40107.3S202 V206S202-K204 PolarHBondContact O-N 3.04Å; K204-V206 PolarHBondContact O-N 2.86Å
205K72.4Confident75.1Confident209 Ų209135.7 Ų135.791%0.90971%0.713SS**  trans-61102.5170.2-62-173.3-176.2-174.10107.8E203 A207E203-K205 PolarHBondContact O-N 3.26Å; K205-A207 PolarHBondContact O-N 2.99Å
206V72.6Confident73.7Confident129 Ų129136.5 Ų136.578%0.78272%0.72SS**  trans-64.7107.8172.4-177.90000105.9K204 Y208K204-V206 PolarHBondContact O-N 2.86Å; V206-Y208 PolarHBondContact O-N 3.02Å
207A68.6Low72.1Confident90 Ų90136.5 Ų136.574%0.74473%0.725SS**  trans-61109.3170.100000106.7K205 S209K205-A207 PolarHBondContact O-N 2.99Å; A207-S209 PolarHBondContact O-N 3.14Å
208Y66.6Low70.7Confident196 Ų196139.5 Ų139.577%0.76974%0.737SS**  trans-65.789.8172.1-149.6-89.6000106.5V206 A210 I211V206-Y208 PolarHBondContact O-N 3.02Å; Y208-A210 PolarHBondContact O-N 2.79Å; Y208-A210 VanDerWaalsContact O-N 3.14Å; Y208-I211 HydrophobicContact CE1-CD1 4.36Å
209S68.7Low69.2Low107 Ų107138.7 Ų138.775%0.74874%0.744SS**  trans-61.6116.5169.5-172.40000106.2A207 I211A207-S209 PolarHBondContact O-N 3.14Å; S209-I211 PolarHBondContact O-N 3.17Å; S209-I211 VanDerWaalsContact O-N 3.17Å
210A61.7Low67.8Low78 Ų78141 Ų14165%0.64576%0.755SS**  trans-45.3121-179.400000110.3Y208 P212Y208-A210 PolarHBondContact O-N 2.79Å; Y208-A210 VanDerWaalsContact O-N 3.14Å; A210-P212 WeakPolarHBondContact O-CD 3.18Å
211I64.8Low66.5Low123 Ų123144.6 Ų144.663%0.63176%0.764SS**  trans-61.8117.1169.7-63.8166.9000106.2Y208 S209 T213Y208-I211 HydrophobicContact CE1-CD1 4.36Å; S209-I211 PolarHBondContact O-N 3.17Å; S209-I211 VanDerWaalsContact O-N 3.17Å; I211-T213 PolarHBondContact O-N 3.11Å; I211-T213 VanDerWaalsContact O-N 3.11Å
212P58.4Low65.5Low111 Ų111147.5 Ų147.572%0.72179%0.794SS**  trans-67.2115.5173.4-12.628.3000107.4A210 S214A210-P212 WeakPolarHBondContact O-CD 3.18Å; P212-S214 PolarHBondContact O-N 3.02Å
213T57.7Low64.7Low131 Ų131150.8 Ų150.880%0.80481%0.805SS**  trans-61.8103.7168.948.60000108.8I211I211-T213 PolarHBondContact O-N 3.11Å; I211-T213 VanDerWaalsContact O-N 3.11Å
214S59.6Low64Low102 Ų102149.3 Ų149.371%0.71380%0.803SS**  trans-138.296.9155.665.10000109.1P212 P216P212-S214 PolarHBondContact O-N 3.02Å; S214-P216 WeakPolarHBondContact O-CD 3.42Å
215Y54.5Low63.5Low215 Ų215146.7 Ų146.784%0.84380%0.8SS**  trans-72.5123.6162.2-81.5-91.7000108.6
216P62.3Low63Low102 Ų102143 Ų14366%0.66279%0.794SS**  trans-88.8108.7155.911.47.6000108S214 H218S214-P216 WeakPolarHBondContact O-CD 3.42Å; P216-H218 PolarHBondContact O-N 3.33Å; P216-H218 VanDerWaalsContact O-N 3.09Å
217T60.4Low62.4Low124 Ų124143.9 Ų143.976%0.76180%0.795SS**  trans-58.1104.4170.9-44.50000109.8T219T217-T219 PolarHBondContact O-N 3.09Å
218H63.5Low61.9Low168 Ų168147.5 Ų147.578%0.77880%0.798SS**  trans-83.3101.6166.3-80.9-84.3000109P216 L220P216-H218 PolarHBondContact O-N 3.33Å; P216-H218 VanDerWaalsContact O-N 3.09Å; H218-L220 PolarHBondContact O-N 3.21Å
219T61.1Low61.6Low128 Ų128144 Ų14479%0.78580%0.8SS**  trans-64.7107.8166.543.90000109.6T217 R221T217-T219 PolarHBondContact O-N 3.09Å; T219-R221 PolarHBondContact O-N 3.41Å
220L60.3Low61.1Low174 Ų174146.8 Ų146.891%0.91180%0.804SS**  trans-73.5113.6163.5-73.9166.7000108H218H218-L220 PolarHBondContact O-N 3.21Å
221R62Low61Low244 Ų244152.6 Ų152.692%0.92182%0.818SS**  trans-89.4121.8167.4-132.1-177.7-149.3177.65.6107.6T219T219-R221 PolarHBondContact O-N 3.41Å
222T67.7Low60.7Low209 Ų209155.3 Ų155.3100%1.28284%0.835SS**  trans-60.6016751.30000112

Retrieved 222 of 222 residues in 525.2 ms (Link to these results)

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