A0A5K4FCA4_SCHMA Loading...

phosphopyruvate hydratase

AlphaFold DB , UniProt , Accession A0A5K4FCA4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 703 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.8Low87.2Confident154 Ų154107.6 Ų107.676%0.75952%0.523SS*.  0114.60-74.1-64.6-105.300108.3T5 K6 E9M1-T5 HydrophobicContact CE-CG2 3.63Å; M1-T5 HydrophobicContact SD-CG2 3.79Å; M1-K6 HydrophobicContact CB-CG 4.07Å; M1-E9 VanDerWaalsContact CE-OE2 3.26Å; M1-E9 WeakPolarHBondContact CE-OE2 3.4Å
2D86.6Confident87.4Confident99 Ų99104.2 Ų104.253%0.52952%0.518SS..  trans-60.2147.8167.7176.56.2000109.1K4 T5 K6D2-K4 PolarHBondContact O-N 2.73Å; D2-K4 PolarHBondContact OD1-N 3.05Å; D2-K4 VanDerWaalsContact OD1-N 3.1Å; D2-K4 WeakPolarHBondContact OD2-CB 3.19Å; D2-T5 PolarHBondContact O-N 3.47Å; D2-K6 PolarHBondContact O-N 2.78Å; D2-K6 VanDerWaalsContact O-N 3.16Å
3I90.3Very high87.7Confident144 Ų144104.9 Ų104.974%0.73853%0.525SS*.Hα-helixtrans-54.5-38173.7-64.7173.3000109.5T5 K6 A7I3-T5 PolarHBondContact O-N 2.78Å; I3-K6 PolarHBondContact O-N 3.24Å; I3-A7 WeakPolarHBondContact O-CB 3.37Å; I3-A7 PolarHBondContact O-N 2.7Å
4K89Confident87.7Confident145 Ų145103.6 Ų103.663%0.6352%0.52SS*.Hα-helixtrans-60.8-42.3176.2-168.1177.7-180179.50112.7D2 A7 I8D2-K4 PolarHBondContact O-N 2.73Å; D2-K4 PolarHBondContact OD1-N 3.05Å; D2-K4 VanDerWaalsContact OD1-N 3.1Å; D2-K4 WeakPolarHBondContact OD2-CB 3.19Å; K4-A7 PolarHBondContact O-N 2.94Å; K4-I8 HydrophobicContact CG-CD1 4.12Å; K4-I8 VanDerWaalsContact O-CG1 3.32Å; K4-I8 WeakPolarHBondContact O-CG1 3.35Å; K4-I8 PolarHBondContact O-N 3.5Å
5T90Very high87.9Confident63 Ų63102.9 Ų102.939%0.38752%0.519SS..Hα-helixtrans-63.7-45.4177-43.70000110.9M1 D2 I3 A7 I8 E9M1-T5 HydrophobicContact CE-CG2 3.63Å; M1-T5 HydrophobicContact SD-CG2 3.79Å; D2-T5 PolarHBondContact O-N 3.47Å; I3-T5 PolarHBondContact O-N 2.78Å; T5-A7 VanDerWaalsContact C-N 3.32Å; T5-A7 PolarHBondContact O-N 3.47Å; T5-I8 PolarHBondContact O-N 3.5Å; T5-E9 WeakPolarHBondContact O-CB 3.45Å; T5-E9 PolarHBondContact O-N 3.41Å
6K91.7Very high88Confident130 Ų13099.5 Ų99.557%0.56550%0.502SS*.Hα-helixtrans-61.6-38.6176.8-67-171.1176.3-171.40112.6M1 D2 I3 Y10M1-K6 HydrophobicContact CB-CG 4.07Å; D2-K6 PolarHBondContact O-N 2.78Å; D2-K6 VanDerWaalsContact O-N 3.16Å; I3-K6 PolarHBondContact O-N 3.24Å; K6-Y10 VanDerWaalsContact O-CB 3.26Å; K6-Y10 WeakPolarHBondContact O-CB 3.39Å; K6-Y10 PolarHBondContact O-N 2.78Å
7A89.3Confident88.1Confident36 Ų36100.2 Ų100.230%0.29851%0.507SS..Hα-helixtrans-66.7-45.6177.700000111.6I3 K4 T5 Y10 F11I3-A7 WeakPolarHBondContact O-CB 3.37Å; I3-A7 PolarHBondContact O-N 2.7Å; K4-A7 PolarHBondContact O-N 2.94Å; T5-A7 VanDerWaalsContact C-N 3.32Å; T5-A7 PolarHBondContact O-N 3.47Å; A7-Y10 PolarHBondContact O-N 3.29Å; A7-F11 HydrophobicContact CB-CD2 4.47Å; A7-F11 HydrophobicContact CB-CE2 4.13Å; A7-F11 WeakPolarHBondContact O-CD2 3.45Å; A7-F11 VanDerWaalsContact O-CG 3.32Å; A7-F11 WeakPolarHBondContact O-CG 3.4Å; A7-F11 PolarHBondContact O-N 3.28Å
8I88.2Confident88.3Confident103 Ų103101.4 Ų101.453%0.52851%0.508SS..Hα-helixtrans-59.6-48.3175.9-67.9165.1000110.4K4 T5 Y10 F11 S12K4-I8 HydrophobicContact CG-CD1 4.12Å; K4-I8 VanDerWaalsContact O-CG1 3.32Å; K4-I8 WeakPolarHBondContact O-CG1 3.35Å; K4-I8 PolarHBondContact O-N 3.5Å; T5-I8 PolarHBondContact O-N 3.5Å; I8-Y10 PolarHBondContact O-N 2.92Å; I8-F11 PolarHBondContact O-N 3.16Å; I8-S12 WeakPolarHBondContact O-CB 3.49Å; I8-S12 PolarHBondContact O-N 3.46Å; I8-S12 PolarHBondContact O-OG 2.98Å
9E91.3Very high88.6Confident88 Ų8898.6 Ų98.641%0.41149%0.494SS..Hα-helixtrans-59-45.1177.1-176.9178-171.900112M1 T5 S12 N13M1-E9 VanDerWaalsContact CE-OE2 3.26Å; M1-E9 WeakPolarHBondContact CE-OE2 3.4Å; T5-E9 WeakPolarHBondContact O-CB 3.45Å; T5-E9 PolarHBondContact O-N 3.41Å; E9-S12 WeakPolarHBondContact CA-OG 2.96Å; E9-S12 PolarHBondContact O-N 2.88Å; E9-S12 PolarHBondContact O-OG 2.94Å; E9-N13 VanDerWaalsContact O-CB 3.27Å; E9-N13 WeakPolarHBondContact O-CB 3.05Å; E9-N13 PolarHBondContact O-N 3.27Å; E9-N13 PolarHBondContact O-ND2 2.94Å; E9-N13 PolarHBondContact O-OD1 2.98Å
10Y92.2Very high88.8Confident137 Ų13797.1 Ų97.154%0.53749%0.487SS..Hα-helixtrans-62.3-45.6176.2178.9-96.3000112.4K6 A7 I8 N14 I16K6-Y10 VanDerWaalsContact O-CB 3.26Å; K6-Y10 WeakPolarHBondContact O-CB 3.39Å; K6-Y10 PolarHBondContact O-N 2.78Å; A7-Y10 PolarHBondContact O-N 3.29Å; I8-Y10 PolarHBondContact O-N 2.92Å; Y10-N14 WeakPolarHBondContact CE2-ND2 3.36Å; Y10-N14 PolarHBondContact O-N 2.96Å; Y10-N14 PolarHBondContact O-ND2 2.77Å; Y10-I16 HydrophobicContact CD1-CD1 4.2Å; Y10-I16 HydrophobicContact CE1-CD1 3.69Å
11F92Very high89.1Confident85 Ų8599.3 Ų99.337%0.37350%0.495SS..Hα-helixtrans-68.3-35.7178.9-65.8-48.5000112.7A7 I8 N15 I16 L17A7-F11 HydrophobicContact CB-CD2 4.47Å; A7-F11 HydrophobicContact CB-CE2 4.13Å; A7-F11 WeakPolarHBondContact O-CD2 3.45Å; A7-F11 VanDerWaalsContact O-CG 3.32Å; A7-F11 WeakPolarHBondContact O-CG 3.4Å; A7-F11 PolarHBondContact O-N 3.28Å; I8-F11 PolarHBondContact O-N 3.16Å; F11-N15 PolarHBondContact O-N 2.74Å; F11-I16 HydrophobicContact CD1-CB 4.07Å; F11-I16 HydrophobicContact CD1-CD1 3.84Å; F11-I16 HydrophobicContact CD1-CG2 3.88Å; F11-I16 HydrophobicContact CE1-CD1 4.43Å; F11-I16 HydrophobicContact CE1-CG2 4.41Å; F11-I16 PolarHBondContact O-N 2.87Å; F11-L17 HydrophobicContact CB-CD1 4.45Å; F11-L17 HydrophobicContact CB-CG 4.24Å
12S89Confident90.8Very high66 Ų6694.8 Ų94.846%0.46247%0.474SS..Hα-helixtrans-69.7-45.1175.760.40000112I8 E9 N14 N15I8-S12 WeakPolarHBondContact O-CB 3.49Å; I8-S12 PolarHBondContact O-N 3.46Å; I8-S12 PolarHBondContact O-OG 2.98Å; E9-S12 WeakPolarHBondContact CA-OG 2.96Å; E9-S12 PolarHBondContact O-N 2.88Å; E9-S12 PolarHBondContact O-OG 2.94Å; S12-N14 VanDerWaalsContact C-N 3.27Å; S12-N14 PolarHBondContact O-N 3.32Å; S12-N15 PolarHBondContact O-N 2.76Å
13N91.9Very high91.2Very high114 Ų11490 Ų9061%0.6145%0.449SS*.Hα-helixtrans-67.2-28-176.1-68.2-5.7000112.9E9E9-N13 VanDerWaalsContact O-CB 3.27Å; E9-N13 WeakPolarHBondContact O-CB 3.05Å; E9-N13 PolarHBondContact O-N 3.27Å; E9-N13 PolarHBondContact O-ND2 2.94Å; E9-N13 PolarHBondContact O-OD1 2.98Å
14N88.2Confident91.5Very high86 Ų8687.3 Ų87.346%0.4644%0.435SS..THydrogen-bonded Turntrans-98.59.6178-65.4-82.6000113.3Y10 S12 I16Y10-N14 WeakPolarHBondContact CE2-ND2 3.36Å; Y10-N14 PolarHBondContact O-N 2.96Å; Y10-N14 PolarHBondContact O-ND2 2.77Å; S12-N14 VanDerWaalsContact C-N 3.27Å; S12-N14 PolarHBondContact O-N 3.32Å; N14-I16 HydrophobicContact CB-CD1 3.66Å; N14-I16 HydrophobicContact CB-CG1 3.73Å; N14-I16 PolarHBondContact O-N 3.02Å
15N89.5Confident91.7Very high93 Ų9385 Ų8550%0.49743%0.427SS..THydrogen-bonded Turntrans5417.3-176.2-64.9-52.6000115.7F11 S12 L17 K18 E19F11-N15 PolarHBondContact O-N 2.74Å; S12-N15 PolarHBondContact O-N 2.76Å; N15-L17 VanDerWaalsContact C-N 3.32Å; N15-L17 PolarHBondContact O-N 2.56Å; N15-K18 WeakPolarHBondContact O-CB 3.18Å; N15-K18 PolarHBondContact O-N 3.41Å; N15-E19 PolarHBondContact O-N 3.33Å; N15-E19 VanDerWaalsContact O-N 3.12Å
16I90.5Very high92Very high49 Ų4985.1 Ų85.125%0.25143%0.425SS..Hα-helixtrans-58.3-41.5-167.1-72.5165.8000112.4Y10 F11 N14 K18 L20Y10-I16 HydrophobicContact CD1-CD1 4.2Å; Y10-I16 HydrophobicContact CE1-CD1 3.69Å; F11-I16 HydrophobicContact CD1-CB 4.07Å; F11-I16 HydrophobicContact CD1-CD1 3.84Å; F11-I16 HydrophobicContact CD1-CG2 3.88Å; F11-I16 HydrophobicContact CE1-CD1 4.43Å; F11-I16 HydrophobicContact CE1-CG2 4.41Å; F11-I16 PolarHBondContact O-N 2.87Å; N14-I16 HydrophobicContact CB-CD1 3.66Å; N14-I16 HydrophobicContact CB-CG1 3.73Å; N14-I16 PolarHBondContact O-N 3.02Å; I16-K18 PolarHBondContact O-N 2.98Å; I16-L20 HydrophobicContact CG2-CD1 3.76Å; I16-L20 WeakPolarHBondContact O-CB 3.38Å; I16-L20 WeakPolarHBondContact O-CD1 3.5Å; I16-L20 WeakPolarHBondContact O-CG 3.2Å; I16-L20 PolarHBondContact O-N 3.24Å
17L90Very high92.2Very high112 Ų11280.1 Ų80.159%0.58640%0.404SS*.Hα-helixtrans-66.8-36.7179.5-65.2176.1000112.5F11 N15 L20 E21F11-L17 HydrophobicContact CB-CD1 4.45Å; F11-L17 HydrophobicContact CB-CG 4.24Å; N15-L17 VanDerWaalsContact C-N 3.32Å; N15-L17 PolarHBondContact O-N 2.56Å; L17-L20 PolarHBondContact O-N 3.43Å; L17-E21 WeakPolarHBondContact O-CB 3.49Å; L17-E21 PolarHBondContact O-N 2.91Å
18K91.4Very high92.5Very high121 Ų12185.9 Ų85.953%0.52642%0.422SS..Hα-helixtrans-68.5-43.8179.5-173.6-167176-158.30110.9N15 I16 E21 N22N15-K18 WeakPolarHBondContact O-CB 3.18Å; N15-K18 PolarHBondContact O-N 3.41Å; I16-K18 PolarHBondContact O-N 2.98Å; K18-E21 PolarHBondContact O-N 3.5Å; K18-N22 WeakPolarHBondContact O-CB 3.29Å; K18-N22 PolarHBondContact O-N 3Å; K18-N22 PolarHBondContact O-ND2 3.46Å
19E92.8Very high92.8Very high49 Ų4987 Ų8723%0.22943%0.425CS..Hα-helixtrans-71.3-32.2177.5-60.2-46.6139.900112.6N15 N22 A23 Y42 I46N15-E19 PolarHBondContact O-N 3.33Å; N15-E19 VanDerWaalsContact O-N 3.12Å; E19-N22 PolarHBondContact OE2-ND2 2.96Å; E19-A23 VanDerWaalsContact O-CB 3.24Å; E19-A23 WeakPolarHBondContact O-CB 3.46Å; E19-A23 PolarHBondContact O-N 3.43Å; E19-Y42 PolarHBondContact OE2-OH 2.97Å; E19-Y42 VanDerWaalsContact OE2-OH 3.07Å; E19-I46 HydrophobicContact CB-CD1 3.89Å; E19-I46 HydrophobicContact CG-CD1 4.05Å
20L93.9Very high92.9Very high68 Ų6888.8 Ų88.836%0.35643%0.434SS..Hα-helixtrans-62.3-44.6168.4-80.4161.8000112.2I16 L17 A23 L24 F43I16-L20 HydrophobicContact CG2-CD1 3.76Å; I16-L20 WeakPolarHBondContact O-CB 3.38Å; I16-L20 WeakPolarHBondContact O-CD1 3.5Å; I16-L20 WeakPolarHBondContact O-CG 3.2Å; I16-L20 PolarHBondContact O-N 3.24Å; L17-L20 PolarHBondContact O-N 3.43Å; L20-A23 PolarHBondContact O-N 3.33Å; L20-L24 WeakPolarHBondContact O-CB 3.46Å; L20-L24 VanDerWaalsContact O-CG 3.25Å; L20-L24 WeakPolarHBondContact O-CG 3.36Å; L20-L24 PolarHBondContact O-N 2.64Å; L20-F43 HydrophobicContact CD2-CE2 4.18Å; L20-F43 HydrophobicContact CD2-CZ 3.66Å; L20-F43 HydrophobicContact CG-CZ 4.18Å
21E94Very high92.9Very high143 Ų14388.8 Ų88.867%0.66844%0.443SS*.Hα-helixtrans-64.6-45.4177.7-172.2171.6-16500111.5L17 K18 A23 L24 Q25L17-E21 WeakPolarHBondContact O-CB 3.49Å; L17-E21 PolarHBondContact O-N 2.91Å; K18-E21 PolarHBondContact O-N 3.5Å; E21-A23 PolarHBondContact O-N 3.42Å; E21-L24 PolarHBondContact O-N 2.78Å; E21-Q25 VanDerWaalsContact O-CB 3.25Å; E21-Q25 WeakPolarHBondContact O-CB 3.45Å; E21-Q25 PolarHBondContact O-N 2.91Å
22N95.4Very high92.9Very high59 Ų5985.6 Ų85.632%0.31643%0.432SS..Hα-helixtrans-55.5-50.5172.3-71.5-20.3000111.7K18 E19 L24 Q25 L26 Y42K18-N22 WeakPolarHBondContact O-CB 3.29Å; K18-N22 PolarHBondContact O-N 3Å; K18-N22 PolarHBondContact O-ND2 3.46Å; E19-N22 PolarHBondContact OE2-ND2 2.96Å; N22-L24 PolarHBondContact O-N 3.25Å; N22-Q25 PolarHBondContact O-N 3.32Å; N22-L26 WeakPolarHBondContact O-CB 3.17Å; N22-L26 WeakPolarHBondContact O-CG 3.49Å; N22-L26 PolarHBondContact O-N 3.01Å; N22-Y42 WeakPolarHBondContact CB-OH 3.43Å
23A95.2Very high93.1Very high0 Ų088.1 Ų88.10%045%0.45CS..Hα-helixtrans-60.2-44.8-178.400000112E19 L20 E21 M27 L39 Y42 F43E19-A23 VanDerWaalsContact O-CB 3.24Å; E19-A23 WeakPolarHBondContact O-CB 3.46Å; E19-A23 PolarHBondContact O-N 3.43Å; L20-A23 PolarHBondContact O-N 3.33Å; E21-A23 PolarHBondContact O-N 3.42Å; A23-M27 WeakPolarHBondContact O-CB 3.25Å; A23-M27 PolarHBondContact O-N 2.81Å; A23-L39 HydrophobicContact CB-CD2 3.61Å; A23-Y42 HydrophobicContact CB-CD1 3.45Å; A23-Y42 VanDerWaalsContact CB-CD1 3.45Å; A23-Y42 HydrophobicContact CB-CD2 4.32Å; A23-Y42 HydrophobicContact CB-CE1 3.53Å; A23-Y42 HydrophobicContact CB-CE2 4.39Å; A23-Y42 HydrophobicContact CB-CG 3.87Å; A23-F43 HydrophobicContact CB-CE2 4.49Å; A23-F43 HydrophobicContact CB-CZ 3.98Å
24L95.4Very high93.3Very high86 Ų8687.1 Ų87.145%0.4545%0.445SS..Hα-helixtrans-68-39.1178.2-69.9172000112.1L20 E21 N22 M27 F28 L39L20-L24 WeakPolarHBondContact O-CB 3.46Å; L20-L24 VanDerWaalsContact O-CG 3.25Å; L20-L24 WeakPolarHBondContact O-CG 3.36Å; L20-L24 PolarHBondContact O-N 2.64Å; E21-L24 PolarHBondContact O-N 2.78Å; N22-L24 PolarHBondContact O-N 3.25Å; L24-M27 HydrophobicContact CD2-CE 3.71Å; L24-F28 WeakPolarHBondContact O-CB 3.11Å; L24-F28 PolarHBondContact O-N 3.18Å; L24-L39 HydrophobicContact CD2-CD1 4.32Å; L24-L39 HydrophobicContact CD2-CD2 4.39Å
25Q94.9Very high93.5Very high98 Ų9887.9 Ų87.946%0.45845%0.445SS..Hα-helixtrans-65-44.4177.6-179.360.430.300111.6E21 N22 F28 Q29E21-Q25 VanDerWaalsContact O-CB 3.25Å; E21-Q25 WeakPolarHBondContact O-CB 3.45Å; E21-Q25 PolarHBondContact O-N 2.91Å; N22-Q25 PolarHBondContact O-N 3.32Å; Q25-F28 PolarHBondContact O-N 2.73Å; Q25-Q29 WeakPolarHBondContact O-CB 3.25Å; Q25-Q29 VanDerWaalsContact O-CG 3.29Å; Q25-Q29 WeakPolarHBondContact O-CG 3.4Å; Q25-Q29 PolarHBondContact O-N 3.22Å
26L95.6Very high93.8Very high64 Ų6491.6 Ų91.634%0.33546%0.457SS..Hα-helixtrans-66.8-45.9176-68.6167.8000111.5N22 F28 Q29 E30 Y38 Y42N22-L26 WeakPolarHBondContact O-CB 3.17Å; N22-L26 WeakPolarHBondContact O-CG 3.49Å; N22-L26 PolarHBondContact O-N 3.01Å; L26-F28 VanDerWaalsContact C-N 3.26Å; L26-F28 PolarHBondContact O-N 2.95Å; L26-Q29 PolarHBondContact O-N 3.39Å; L26-Q29 VanDerWaalsContact O-N 3.1Å; L26-E30 PolarHBondContact O-N 3.45Å; L26-Y38 HydrophobicContact CB-CE1 4.46Å; L26-Y38 WeakPolarHBondContact CB-OH 3.32Å; L26-Y42 HydrophobicContact CD1-CD2 4.38Å; L26-Y42 HydrophobicContact CD1-CE2 3.74Å
27M95.8Very high93.9Very high26 Ų2690.7 Ų90.713%0.12846%0.46CS..Hα-helixtrans-55.9-40.1175.3-175.1-169.969.800112.5A23 L24 N31 A32 H35 Y38 L39A23-M27 WeakPolarHBondContact O-CB 3.25Å; A23-M27 PolarHBondContact O-N 2.81Å; L24-M27 HydrophobicContact CD2-CE 3.71Å; M27-N31 PolarHBondContact O-N 3.36Å; M27-N31 VanDerWaalsContact O-N 3.09Å; M27-A32 HydrophobicContact CG-CB 3.99Å; M27-A32 PolarHBondContact O-N 3.15Å; M27-H35 HydrophobicContact CE-CB 4.5Å; M27-H35 HydrophobicContact SD-CB 3.7Å; M27-Y38 HydrophobicContact CB-CD1 3.55Å; M27-Y38 HydrophobicContact CB-CE1 3.66Å; M27-Y38 HydrophobicContact CB-CG 4.28Å; M27-Y38 HydrophobicContact CG-CD1 3.76Å; M27-Y38 HydrophobicContact CG-CE1 4.35Å; M27-Y38 HydrophobicContact CG-CG 4.07Å; M27-L39 HydrophobicContact SD-CD1 4.24Å; M27-L39 HydrophobicContact SD-CD2 4.32Å; M27-L39 HydrophobicContact SD-CG 3.99Å
28F94.9Very high94.1Very high156 Ų15687.5 Ų87.568%0.68444%0.441SS*.Hα-helixtrans-70.1-41.8175.6177.4-102.6000112.3L24 Q25 L26 N31L24-F28 WeakPolarHBondContact O-CB 3.11Å; L24-F28 PolarHBondContact O-N 3.18Å; Q25-F28 PolarHBondContact O-N 2.73Å; L26-F28 VanDerWaalsContact C-N 3.26Å; L26-F28 PolarHBondContact O-N 2.95Å; F28-N31 PolarHBondContact O-N 3.29Å
29Q94.2Very high94.3Very high127 Ų12783.3 Ų83.359%0.59342%0.424SS*.Hα-helixtrans-65.1-39.9177-76.9174.4-16.800112.9Q25 L26 N31Q25-Q29 WeakPolarHBondContact O-CB 3.25Å; Q25-Q29 VanDerWaalsContact O-CG 3.29Å; Q25-Q29 WeakPolarHBondContact O-CG 3.4Å; Q25-Q29 PolarHBondContact O-N 3.22Å; L26-Q29 PolarHBondContact O-N 3.39Å; L26-Q29 VanDerWaalsContact O-N 3.1Å; Q29-N31 VanDerWaalsContact C-N 3.27Å
30E93.4Very high94.2Very high125 Ų12584 Ų8458%0.58443%0.434SS*.THydrogen-bonded Turntrans-79-9.2175.3-69-175.7-126.500113.1L26 A32 Y38L26-E30 PolarHBondContact O-N 3.45Å; E30-A32 VanDerWaalsContact C-N 3.29Å; E30-A32 PolarHBondContact O-N 3.07Å; E30-Y38 HydrophobicContact CB-CE2 4.44Å; E30-Y38 PolarHBondContact OE1-OH 2.91Å; E30-Y38 WeakPolarHBondContact OE2-CE2 3.41Å
31N93.6Very high93.9Very high138 Ų13887 Ų8774%0.73844%0.444SS*.THydrogen-bonded Turntrans49.947.8-177.3-172.152.2000112.3M27 F28 Q29 S33M27-N31 PolarHBondContact O-N 3.36Å; M27-N31 VanDerWaalsContact O-N 3.09Å; F28-N31 PolarHBondContact O-N 3.29Å; Q29-N31 VanDerWaalsContact C-N 3.27Å; N31-S33 PolarHBondContact O-N 2.87Å
32A91.1Very high93.8Very high18 Ų1881.7 Ų81.715%0.14942%0.418CS..  trans-63.5123.9-173.400000112M27 E30 Y38M27-A32 HydrophobicContact CG-CB 3.99Å; M27-A32 PolarHBondContact O-N 3.15Å; E30-A32 VanDerWaalsContact C-N 3.29Å; E30-A32 PolarHBondContact O-N 3.07Å; A32-Y38 HydrophobicContact CB-CD2 3.71Å; A32-Y38 HydrophobicContact CB-CG 3.92Å
33S93.6Very high93.6Very high119 Ų11981.7 Ų81.783%0.83242%0.416SS*.SBendtrans-69.3-38.8-178.552.70000113.2N31 H35N31-S33 PolarHBondContact O-N 2.87Å; S33-H35 PolarHBondContact O-ND1 3.36Å
34D95.2Very high93.1Very high93 Ų9386.7 Ų86.750%0.49744%0.439SS..  trans-98.386.7168.7-178.37.9000110.5F36 G37 Y38D34-F36 PolarHBondContact O-N 3.07Å; D34-F36 PolarHBondContact OD1-N 2.81Å; D34-F36 VanDerWaalsContact OD1-N 3.13Å; D34-G37 VanDerWaalsContact CG-N 3.27Å; D34-G37 PolarHBondContact O-N 3.22Å; D34-G37 PolarHBondContact OD1-N 2.79Å; D34-G37 WeakPolarHBondContact OD2-CA 3.22Å; D34-G37 PolarHBondContact OD2-N 3.31Å; D34-Y38 WeakPolarHBondContact O-CB 2.83Å; D34-Y38 PolarHBondContact O-N 3.38Å
35H94.3Very high92.5Very high101 Ų10187.9 Ų87.947%0.46844%0.442SS..Hα-helixtrans-53.2-39.5175.9-5188.4000113M27 S33 L39M27-H35 HydrophobicContact CE-CB 4.5Å; M27-H35 HydrophobicContact SD-CB 3.7Å; S33-H35 PolarHBondContact O-ND1 3.36Å; H35-L39 VanDerWaalsContact O-CG 3.29Å; H35-L39 WeakPolarHBondContact O-CG 3.05Å; H35-L39 PolarHBondContact O-N 3.25Å; H35-L39 VanDerWaalsContact O-N 3.1Å
36F95.2Very high92Very high171 Ų17187.3 Ų87.375%0.7544%0.442SS*.Hα-helixtrans-81.1-39.2-175.1-63.4-67.4000111.8D34 Y38 L39 S40D34-F36 PolarHBondContact O-N 3.07Å; D34-F36 PolarHBondContact OD1-N 2.81Å; D34-F36 VanDerWaalsContact OD1-N 3.13Å; F36-Y38 VanDerWaalsContact C-N 3.34Å; F36-L39 PolarHBondContact O-N 2.94Å; F36-S40 VanDerWaalsContact O-CB 3.3Å; F36-S40 WeakPolarHBondContact O-CB 3.46Å; F36-S40 PolarHBondContact O-N 3.39Å
37G93.3Very high91.4Very high31 Ų3186.2 Ų86.232%0.3244%0.439SS..Hα-helixtrans-61.1-42170.300000112.2D34 S40 K41D34-G37 VanDerWaalsContact CG-N 3.27Å; D34-G37 PolarHBondContact O-N 3.22Å; D34-G37 PolarHBondContact OD1-N 2.79Å; D34-G37 WeakPolarHBondContact OD2-CA 3.22Å; D34-G37 PolarHBondContact OD2-N 3.31Å; G37-S40 PolarHBondContact O-N 3.34Å; G37-K41 WeakPolarHBondContact O-CB 3.48Å; G37-K41 PolarHBondContact O-N 3.18Å
38Y94.1Very high90.7Very high45 Ų4592.6 Ų92.618%0.17647%0.473CS..Hα-helixtrans-59.8-53.8174.9-172.7-82.9000111.8L26 M27 E30 A32 D34 F36 S40 K41 Y42L26-Y38 HydrophobicContact CB-CE1 4.46Å; L26-Y38 WeakPolarHBondContact CB-OH 3.32Å; M27-Y38 HydrophobicContact CB-CD1 3.55Å; M27-Y38 HydrophobicContact CB-CE1 3.66Å; M27-Y38 HydrophobicContact CB-CG 4.28Å; M27-Y38 HydrophobicContact CG-CD1 3.76Å; M27-Y38 HydrophobicContact CG-CE1 4.35Å; M27-Y38 HydrophobicContact CG-CG 4.07Å; E30-Y38 HydrophobicContact CB-CE2 4.44Å; E30-Y38 PolarHBondContact OE1-OH 2.91Å; E30-Y38 WeakPolarHBondContact OE2-CE2 3.41Å; A32-Y38 HydrophobicContact CB-CD2 3.71Å; A32-Y38 HydrophobicContact CB-CG 3.92Å; D34-Y38 WeakPolarHBondContact O-CB 2.83Å; D34-Y38 PolarHBondContact O-N 3.38Å; F36-Y38 VanDerWaalsContact C-N 3.34Å; Y38-S40 VanDerWaalsContact C-N 3.31Å; Y38-S40 PolarHBondContact O-N 3.1Å; Y38-K41 PolarHBondContact O-N 3.03Å; Y38-Y42 PolarHBondContact O-N 3.46Å
39L94.7Very high90Very high33 Ų3388 Ų8817%0.17346%0.457CS..Hα-helixtrans-61.1-39.2177.9-69.6175.5000111.8A23 L24 M27 H35 F36 K41 Y42 F43A23-L39 HydrophobicContact CB-CD2 3.61Å; L24-L39 HydrophobicContact CD2-CD1 4.32Å; L24-L39 HydrophobicContact CD2-CD2 4.39Å; M27-L39 HydrophobicContact SD-CD1 4.24Å; M27-L39 HydrophobicContact SD-CD2 4.32Å; M27-L39 HydrophobicContact SD-CG 3.99Å; H35-L39 VanDerWaalsContact O-CG 3.29Å; H35-L39 WeakPolarHBondContact O-CG 3.05Å; H35-L39 PolarHBondContact O-N 3.25Å; H35-L39 VanDerWaalsContact O-N 3.1Å; F36-L39 PolarHBondContact O-N 2.94Å; L39-K41 PolarHBondContact O-N 3.48Å; L39-Y42 PolarHBondContact O-N 2.91Å; L39-F43 HydrophobicContact CB-CD2 4.29Å; L39-F43 HydrophobicContact CB-CE2 4.17Å; L39-F43 HydrophobicContact CD2-CE2 4.14Å; L39-F43 WeakPolarHBondContact O-CB 3.49Å; L39-F43 WeakPolarHBondContact O-CD2 3.3Å; L39-F43 PolarHBondContact O-N 2.98Å
40S90.9Very high89.6Confident63 Ų6382.9 Ų82.944%0.44144%0.436SS..Hα-helixtrans-58.4-47.2175.5-174.10000111.6F36 G37 Y38 F43 E44F36-S40 VanDerWaalsContact O-CB 3.3Å; F36-S40 WeakPolarHBondContact O-CB 3.46Å; F36-S40 PolarHBondContact O-N 3.39Å; G37-S40 PolarHBondContact O-N 3.34Å; Y38-S40 VanDerWaalsContact C-N 3.31Å; Y38-S40 PolarHBondContact O-N 3.1Å; S40-F43 PolarHBondContact O-N 3Å; S40-E44 VanDerWaalsContact O-CB 3.29Å; S40-E44 WeakPolarHBondContact O-CB 3.47Å; S40-E44 PolarHBondContact O-N 3.31Å
41K88.3Confident89.2Confident132 Ų13281.3 Ų81.357%0.57443%0.427SS*.Hα-helixtrans-67.5-39.4178.9-173.5-179.4178.5-174.40112.3G37 Y38 L39 E44 Q45G37-K41 WeakPolarHBondContact O-CB 3.48Å; G37-K41 PolarHBondContact O-N 3.18Å; Y38-K41 PolarHBondContact O-N 3.03Å; L39-K41 PolarHBondContact O-N 3.48Å; K41-E44 WeakPolarHBondContact O-CB 3.22Å; K41-E44 PolarHBondContact O-N 2.64Å; K41-Q45 WeakPolarHBondContact O-CG 3.23Å; K41-Q45 PolarHBondContact O-N 3.32Å; K41-Q45 VanDerWaalsContact O-N 3.13Å
42Y91.7Very high89Confident30 Ų3075.1 Ų75.112%0.11839%0.394CS..Hα-helixtrans-60.1-51.3174-177.8-86.7000111.1E19 N22 A23 L26 Y38 L39 E44 Q45 I46E19-Y42 PolarHBondContact OE2-OH 2.97Å; E19-Y42 VanDerWaalsContact OE2-OH 3.07Å; N22-Y42 WeakPolarHBondContact CB-OH 3.43Å; A23-Y42 HydrophobicContact CB-CD1 3.45Å; A23-Y42 VanDerWaalsContact CB-CD1 3.45Å; A23-Y42 HydrophobicContact CB-CD2 4.32Å; A23-Y42 HydrophobicContact CB-CE1 3.53Å; A23-Y42 HydrophobicContact CB-CE2 4.39Å; A23-Y42 HydrophobicContact CB-CG 3.87Å; L26-Y42 HydrophobicContact CD1-CD2 4.38Å; L26-Y42 HydrophobicContact CD1-CE2 3.74Å; Y38-Y42 PolarHBondContact O-N 3.46Å; L39-Y42 PolarHBondContact O-N 2.91Å; Y42-E44 VanDerWaalsContact C-N 3.27Å; Y42-E44 PolarHBondContact O-N 2.87Å; Y42-Q45 PolarHBondContact O-N 2.85Å; Y42-I46 HydrophobicContact CD1-CD1 4.33Å; Y42-I46 HydrophobicContact CE1-CD1 3.77Å; Y42-I46 HydrophobicContact CE1-CG1 4.41Å; Y42-I46 PolarHBondContact O-N 3.21Å
43F89.9Confident89Confident60 Ų6077.8 Ų77.826%0.26341%0.408SS..Hα-helixtrans-70.1-21.6179.1-69.2-55.8000113.7L20 A23 L39 S40 I46 S47L20-F43 HydrophobicContact CD2-CE2 4.18Å; L20-F43 HydrophobicContact CD2-CZ 3.66Å; L20-F43 HydrophobicContact CG-CZ 4.18Å; A23-F43 HydrophobicContact CB-CE2 4.49Å; A23-F43 HydrophobicContact CB-CZ 3.98Å; L39-F43 HydrophobicContact CB-CD2 4.29Å; L39-F43 HydrophobicContact CB-CE2 4.17Å; L39-F43 HydrophobicContact CD2-CE2 4.14Å; L39-F43 WeakPolarHBondContact O-CB 3.49Å; L39-F43 WeakPolarHBondContact O-CD2 3.3Å; L39-F43 PolarHBondContact O-N 2.98Å; S40-F43 PolarHBondContact O-N 3Å; F43-I46 HydrophobicContact CD1-CD1 3.94Å; F43-I46 HydrophobicContact CD1-CG1 4.19Å; F43-I46 HydrophobicContact CE1-CD1 4.24Å; F43-S47 WeakPolarHBondContact O-CB 3.24Å; F43-S47 PolarHBondContact O-N 3.39Å; F43-S47 PolarHBondContact O-OG 3.02Å
44E84.6Confident89Confident104 Ų10473.4 Ų73.449%0.48638%0.377SS..Hα-helixtrans-67.4-45.9169.4-177.2172.9-16000111.4S40 K41 Y42 I46 S47S40-E44 VanDerWaalsContact O-CB 3.29Å; S40-E44 WeakPolarHBondContact O-CB 3.47Å; S40-E44 PolarHBondContact O-N 3.31Å; K41-E44 WeakPolarHBondContact O-CB 3.22Å; K41-E44 PolarHBondContact O-N 2.64Å; Y42-E44 VanDerWaalsContact C-N 3.27Å; Y42-E44 PolarHBondContact O-N 2.87Å; E44-I46 VanDerWaalsContact C-N 3.29Å; E44-I46 PolarHBondContact O-N 3.44Å; E44-S47 WeakPolarHBondContact O-CB 3.11Å; E44-S47 PolarHBondContact O-N 3.23Å; E44-S47 VanDerWaalsContact O-N 3.11Å
45Q83.7Confident88.9Confident111 Ų11169.6 Ų69.652%0.51936%0.357SS..Hα-helixtrans-63-30.9178.4-71.5178-28.400113.9K41 Y42K41-Q45 WeakPolarHBondContact O-CG 3.23Å; K41-Q45 PolarHBondContact O-N 3.32Å; K41-Q45 VanDerWaalsContact O-N 3.13Å; Y42-Q45 PolarHBondContact O-N 2.85Å
46I84.5Confident88.9Confident87 Ų8769.9 Ų69.945%0.44636%0.357SS..THydrogen-bonded Turntrans-1029.6175.468.3165.6000113.6E19 Y42 F43 E44E19-I46 HydrophobicContact CB-CD1 3.89Å; E19-I46 HydrophobicContact CG-CD1 4.05Å; Y42-I46 HydrophobicContact CD1-CD1 4.33Å; Y42-I46 HydrophobicContact CE1-CD1 3.77Å; Y42-I46 HydrophobicContact CE1-CG1 4.41Å; Y42-I46 PolarHBondContact O-N 3.21Å; F43-I46 HydrophobicContact CD1-CD1 3.94Å; F43-I46 HydrophobicContact CD1-CG1 4.19Å; F43-I46 HydrophobicContact CE1-CD1 4.24Å; E44-I46 VanDerWaalsContact C-N 3.29Å; E44-I46 PolarHBondContact O-N 3.44Å
47S82.8Confident88.7Confident40 Ų4064 Ų6428%0.2834%0.335SS..SBendtrans-69149.5173.1-78.30000110.6F43 E44 T49 R78F43-S47 WeakPolarHBondContact O-CB 3.24Å; F43-S47 PolarHBondContact O-N 3.39Å; F43-S47 PolarHBondContact O-OG 3.02Å; E44-S47 WeakPolarHBondContact O-CB 3.11Å; E44-S47 PolarHBondContact O-N 3.23Å; E44-S47 VanDerWaalsContact O-N 3.11Å; S47-T49 PolarHBondContact O-N 3.13Å; S47-R78 PolarHBondContact OG-NH2 3.1Å
48L81Confident88.6Confident160 Ų16065.6 Ų65.684%0.83834%0.336SS*.PPolyproline II helixtrans-60.4136.7168.3-64.1176.6000110.4
49T80.3Confident88.4Confident59 Ų5970.9 Ų70.936%0.36236%0.363SS..PPolyproline II helixtrans-57.3135.8177.6-480000111.4S47 K51 W127 C221S47-T49 PolarHBondContact O-N 3.13Å; T49-K51 PolarHBondContact O-N 2.76Å; T49-W127 VanDerWaalsContact CG2-CD1 3.46Å; T49-C221 HydrophobicContact CG2-CB 3.69Å; T49-C221 WeakPolarHBondContact CG2-O 3.39Å
50P84.5Confident88.1Confident21 Ų2171.5 Ų71.514%0.13637%0.369CS..PPolyproline II helixtrans-60.5137.2177.1-2333.8000112.2T75 W77 W127P50-T75 HydrophobicContact CB-CG2 4.05Å; P50-W77 HydrophobicContact CG-CG 4.45Å; P50-W127 PolarHBondContact O-NE1 2.88Å
51K86.6Confident88Confident91 Ų9176.7 Ų76.740%0.39638%0.381SS..EExtended strand (participates in β ladder)trans-96.4132.6178.5173.1163.9177.8148.40110.5T49 V53 T75 L76 N123T49-K51 PolarHBondContact O-N 2.76Å; K51-V53 PolarHBondContact O-N 2.83Å; K51-T75 CarbonylContact O-C 3.55Å; K51-T75 WeakPolarHBondContact O-CA 3.43Å; K51-L76 PolarHBondContact O-N 2.79Å; K51-N123 WeakPolarHBondContact CE-OD1 3.38Å; K51-N123 PolarHBondContact NZ-O 3.27Å; K51-N123 PolarHBondContact NZ-OD1 2.84Å
52V89.5Confident87.8Confident8 Ų871 Ų715%0.04836%0.357CS..EExtended strand (participates in β ladder)trans-65.1134.8172-162.50000109.9I55 V73 F74 L119 L122 W127V52-I55 HydrophobicContact CG1-CG1 4.16Å; V52-V73 HydrophobicContact CG1-CG1 3.77Å; V52-V73 HydrophobicContact CG2-CG1 4.3Å; V52-F74 WeakPolarHBondContact CA-O 2.99Å; V52-F74 WeakPolarHBondContact CG1-O 3.4Å; V52-L119 HydrophobicContact CB-CD2 3.8Å; V52-L119 HydrophobicContact CG1-CD2 3.36Å; V52-L122 HydrophobicContact CG2-CD1 4.16Å; V52-W127 HydrophobicContact CG2-CH2 3.34Å; V52-W127 HydrophobicContact CG2-CZ2 3.26Å
53V89.9Confident87.2Confident74 Ų7472.2 Ų72.245%0.44837%0.369SS..EExtended strand (participates in β ladder)trans-106.6-40.1175.9-179.20000111.1K51 F74 L76 T81K51-V53 PolarHBondContact O-N 2.83Å; V53-F74 PolarHBondContact N-O 3.47Å; V53-L76 HydrophobicContact CG2-CB 3.56Å; V53-T81 HydrophobicContact CB-CG2 4.4Å; V53-T81 HydrophobicContact CG2-CG2 4.43Å
54S93.2Very high86.8Confident27 Ų2771.8 Ų71.819%0.18937%0.372CS..EExtended strand (participates in β ladder)trans-160152.6-179.363.70000111.1F74S54-F74 WeakPolarHBondContact O-CB 3.29Å; S54-F74 PolarHBondContact O-N 3.16Å
55I94.9Very high86.7Confident14 Ų1469.3 Ų69.37%0.07238%0.375CS..EExtended strand (participates in β ladder)trans-117.3136166.7-57.6171.9000106.7V52 L71 S72 V73 V115 L119 L210 L214V52-I55 HydrophobicContact CG1-CG1 4.16Å; I55-L71 HydrophobicContact CG2-CD1 4.14Å; I55-L71 HydrophobicContact CG2-CD2 3.43Å; I55-L71 VanDerWaalsContact CG2-CD2 3.43Å; I55-L71 HydrophobicContact CG2-CG 3.7Å; I55-S72 WeakPolarHBondContact CA-O 3.4Å; I55-V73 HydrophobicContact CG1-CG1 4.34Å; I55-V73 HydrophobicContact CG1-CG2 4.38Å; I55-V115 HydrophobicContact CB-CG1 3.84Å; I55-V115 HydrophobicContact CB-CG2 4.39Å; I55-V115 HydrophobicContact CG1-CG1 4.48Å; I55-V115 HydrophobicContact CG2-CG2 4.47Å; I55-L119 HydrophobicContact CD1-CD2 4.4Å; I55-L119 HydrophobicContact CG1-CD2 4.27Å; I55-L210 HydrophobicContact CD1-CD1 3.57Å; I55-L210 HydrophobicContact CG2-CD1 4.15Å; I55-L214 HydrophobicContact CD1-CD2 3.84Å
56K92.7Very high86.7Confident107 Ų10767 Ų6747%0.46537%0.368SS..EExtended strand (participates in β ladder)trans-135.6147.1-179.1-56.6-175.3-178.2-179.80110.4L71 S72 F74K56-L71 CarbonylContact O-C 3.6Å; K56-L71 WeakPolarHBondContact O-CA 3.11Å; K56-S72 PolarHBondContact N-O 2.9Å; K56-S72 PolarHBondContact O-N 3.4Å; K56-F74 HydrophobicContact CB-CE2 4.03Å; K56-F74 HydrophobicContact CD-CD2 4.49Å; K56-F74 HydrophobicContact CD-CE2 3.78Å; K56-F74 HydrophobicContact CD-CZ 4.17Å; K56-F74 HydrophobicContact CG-CD2 4.34Å; K56-F74 HydrophobicContact CG-CE2 3.86Å
57V92.1Very high86.7Confident48 Ų4866.6 Ų66.629%0.29137%0.373SS..EExtended strand (participates in β ladder)trans-111.5116.2171178.40000107.7F70 L71 Y89 F111V57-F70 WeakPolarHBondContact CA-O 3.46Å; V57-L71 HydrophobicContact CG2-CB 4.15Å; V57-L71 HydrophobicContact CG2-CD1 4.31Å; V57-L71 HydrophobicContact CG2-CG 4.16Å; V57-Y89 WeakPolarHBondContact CG1-OH 3.48Å; V57-F111 HydrophobicContact CG2-CD1 4.38Å; V57-F111 HydrophobicContact CG2-CE1 3.63Å; V57-F111 HydrophobicContact CG2-CZ 4.17Å
58D91.5Very high86.9Confident64 Ų6464.9 Ų64.934%0.34236%0.361SS..EExtended strand (participates in β ladder)trans-103.9144.3173.5-51.3-49.9000109.6S69 F70 R86D58-S69 CarbonylContact O-C 3.48Å; D58-S69 WeakPolarHBondContact O-CA 3.4Å; D58-F70 PolarHBondContact N-O 3.14Å; D58-F70 PolarHBondContact O-N 3.12Å; D58-R86 IonicContact OD2-CZ 3.65Å; D58-R86 IonicContact OD2-NH1 2.85Å; D58-R86 PolarHBondContact OD2-NH1 2.92Å; D58-R86 IonicContact OD2-NH2 3.52Å
59E89.7Confident87.4Confident156 Ų15657.4 Ų57.473%0.72932%0.322SS*.EExtended strand (participates in β ladder)trans-88.9131.7168.8-65.5-176.9169.500111
60S88.9Confident88Confident45 Ų4556 Ų5632%0.31531%0.311SS..EExtended strand (participates in β ladder)trans-157.5-153.4164.178.40000111.4S68 F70S60-S68 CarbonylContact C-O 3.55Å; S60-S68 PolarHBondContact N-O 2.96Å; S60-S68 PolarHBondContact O-N 3.35Å; S60-S68 PolarHBondContact O-OG 2.97Å; S60-S68 VanDerWaalsContact O-OG 3.04Å; S60-F70 VanDerWaalsContact OG-CD2 3.31Å; S60-F70 WeakPolarHBondContact OG-CD2 3.47Å; S60-F70 WeakPolarHBondContact OG-CE2 3.01Å
61Y87.4Confident88.5Confident173 Ų17355 Ų5568%0.67831%0.305SS*.EExtended strand (participates in β ladder)trans-108.1139.7-171.7-64.1-88.3000112.1T66 S68Y61-T66 WeakPolarHBondContact CA-O 3.28Å; Y61-S68 VanDerWaalsContact C-OG 3.23Å
62S84.5Confident88.9Confident11 Ų1150.7 Ų50.78%0.07729%0.286CS..  trans-77.9175.1179.675.90000112.1T64 G65 T66 S68 Q641S62-T64 PolarHBondContact O-N 3.24Å; S62-T64 VanDerWaalsContact O-N 3.12Å; S62-T64 PolarHBondContact OG-N 3.34Å; S62-T64 PolarHBondContact OG-OG1 3.36Å; S62-G65 PolarHBondContact O-N 2.57Å; S62-T66 PolarHBondContact N-O 2.94Å; S62-T66 PolarHBondContact OG-N 3.22Å; S62-T66 PolarHBondContact OG-O 3.32Å; S62-T66 PolarHBondContact OG-OG1 3.27Å; S62-S68 PolarHBondContact N-OG 3.09Å; S62-Q641 PolarHBondContact OG-OE1 2.89Å
63C79.6Confident89.2Confident56 Ų5650.3 Ų50.338%0.37828%0.283SS..THydrogen-bonded Turntrans-62.2-15.6172.866.70000114.1Q641 M643C63-Q641 PolarHBondContact SG-O 3.42Å; C63-Q641 VanDerWaalsContact SG-O 3.37Å; C63-M643 HydrophobicContact CB-CG 3.9Å; C63-M643 HydrophobicContact CB-SD 3.55Å; C63-M643 VanDerWaalsContact CB-SD 3.55Å
64T80.6Confident89.4Confident51 Ų5148.6 Ų48.631%0.31327%0.27SS..THydrogen-bonded Turntrans-97.32.1173.560.10000113S62 T66 Q641S62-T64 PolarHBondContact O-N 3.24Å; S62-T64 VanDerWaalsContact O-N 3.12Å; S62-T64 PolarHBondContact OG-N 3.34Å; S62-T64 PolarHBondContact OG-OG1 3.36Å; T64-T66 VanDerWaalsContact C-N 3.31Å; T64-T66 PolarHBondContact O-N 3.26Å; T64-T66 PolarHBondContact OG1-OG1 2.8Å; T64-T66 VanDerWaalsContact OG1-OG1 3.1Å; T64-Q641 HydrophobicContact CG2-CG 4.32Å; T64-Q641 PolarHBondContact OG1-NE2 2.94Å; T64-Q641 PolarHBondContact OG1-OE1 2.73Å
65G83.1Confident89.2Confident53 Ų5347.6 Ų47.655%0.54626%0.263SS..SBendtrans76.712.2-178.500000114.8S62S62-G65 PolarHBondContact O-N 2.57Å
66T82.8Confident88.9Confident61 Ų6150.7 Ų50.737%0.37428%0.279SS..SBendtrans-88.9157.2174.450.40000111Y61 S62 T64 Q641Y61-T66 WeakPolarHBondContact CA-O 3.28Å; S62-T66 PolarHBondContact N-O 2.94Å; S62-T66 PolarHBondContact OG-N 3.22Å; S62-T66 PolarHBondContact OG-O 3.32Å; S62-T66 PolarHBondContact OG-OG1 3.27Å; T64-T66 VanDerWaalsContact C-N 3.31Å; T64-T66 PolarHBondContact O-N 3.26Å; T64-T66 PolarHBondContact OG1-OG1 2.8Å; T64-T66 VanDerWaalsContact OG1-OG1 3.1Å; T66-Q641 PolarHBondContact OG1-NE2 3.3Å; T66-Q641 PolarHBondContact OG1-OE1 3.22Å
67S84.9Confident88.2Confident80 Ų8049.4 Ų49.456%0.55927%0.272SS*.EExtended strand (participates in β ladder)trans-62.7138.4174.2-1670000110.5
68S88Confident87.3Confident3 Ų354 Ų542%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-155.7149.4-172.954.30000111.7S60 Y61 S62 F70 Y89S60-S68 CarbonylContact C-O 3.55Å; S60-S68 PolarHBondContact N-O 2.96Å; S60-S68 PolarHBondContact O-N 3.35Å; S60-S68 PolarHBondContact O-OG 2.97Å; S60-S68 VanDerWaalsContact O-OG 3.04Å; Y61-S68 VanDerWaalsContact C-OG 3.23Å; S62-S68 PolarHBondContact N-OG 3.09Å; S68-F70 VanDerWaalsContact OG-CE2 3.28Å; S68-F70 WeakPolarHBondContact OG-CE2 3.31Å; S68-Y89 CarbonylContact C-O 3.55Å; S68-Y89 VanDerWaalsContact CA-O 3.29Å; S68-Y89 WeakPolarHBondContact CA-O 3.3Å; S68-Y89 WeakPolarHBondContact CB-O 3.46Å
69S90.5Very high86.5Confident3 Ų357.3 Ų57.32%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-96.8146.6175.5-69.40000110.6D58 N88 Y89 Y91D58-S69 CarbonylContact O-C 3.48Å; D58-S69 WeakPolarHBondContact O-CA 3.4Å; S69-N88 CarbonylContact O-C 3.54Å; S69-N88 VanDerWaalsContact O-CA 3.3Å; S69-N88 WeakPolarHBondContact O-CA 3.33Å; S69-Y89 PolarHBondContact N-O 3Å; S69-Y89 WeakPolarHBondContact O-CD1 3.4Å; S69-Y89 PolarHBondContact O-N 3.3Å; S69-Y91 WeakPolarHBondContact OG-CE2 3.36Å
70F92.7Very high86.3Confident30 Ų3056.3 Ų56.313%0.13230%0.299CS..EExtended strand (participates in β ladder)trans-126.1102.9-178.3-73.5-104.6000109.4V57 D58 S60 S68 S72 R86 V87 N88V57-F70 WeakPolarHBondContact CA-O 3.46Å; D58-F70 PolarHBondContact N-O 3.14Å; D58-F70 PolarHBondContact O-N 3.12Å; S60-F70 VanDerWaalsContact OG-CD2 3.31Å; S60-F70 WeakPolarHBondContact OG-CD2 3.47Å; S60-F70 WeakPolarHBondContact OG-CE2 3.01Å; S68-F70 VanDerWaalsContact OG-CE2 3.28Å; S68-F70 WeakPolarHBondContact OG-CE2 3.31Å; F70-S72 PolarHBondContact O-N 3.47Å; F70-R86 HydrophobicContact CB-CG 4.37Å; F70-R86 VanDerWaalsContact CB-NH2 3.32Å; F70-R86 HydrophobicContact CD1-CG 4.05Å; F70-R86 VanDerWaalsContact CD1-NE 3.31Å; F70-V87 CarbonylContact C-O 3.58Å; F70-V87 WeakPolarHBondContact CA-O 3.4Å; F70-N88 HydrophobicContact CD1-CB 3.51Å; F70-N88 HydrophobicContact CD2-CB 4.32Å; F70-N88 HydrophobicContact CE1-CB 3.34Å; F70-N88 HydrophobicContact CE2-CB 4.14Å; F70-N88 HydrophobicContact CG-CB 4.03Å; F70-N88 HydrophobicContact CZ-CB 3.68Å
71L95Very high86.3Confident0 Ų057.8 Ų57.80%031%0.307CS..EExtended strand (participates in β ladder)trans-79.5119.5172.6-170.9160.4000108.8I55 K56 V57 V73 R86 V87 Y89 F111 L210I55-L71 HydrophobicContact CG2-CD1 4.14Å; I55-L71 HydrophobicContact CG2-CD2 3.43Å; I55-L71 VanDerWaalsContact CG2-CD2 3.43Å; I55-L71 HydrophobicContact CG2-CG 3.7Å; K56-L71 CarbonylContact O-C 3.6Å; K56-L71 WeakPolarHBondContact O-CA 3.11Å; V57-L71 HydrophobicContact CG2-CB 4.15Å; V57-L71 HydrophobicContact CG2-CD1 4.31Å; V57-L71 HydrophobicContact CG2-CG 4.16Å; L71-V73 HydrophobicContact CD2-CG2 3.81Å; L71-R86 CarbonylContact O-C 3.57Å; L71-R86 VanDerWaalsContact O-CA 3.31Å; L71-R86 WeakPolarHBondContact O-CA 3.33Å; L71-V87 PolarHBondContact N-O 3.01Å; L71-V87 PolarHBondContact O-N 2.92Å; L71-Y89 HydrophobicContact CB-CE1 3.91Å; L71-F111 HydrophobicContact CD1-CZ 3.88Å; L71-L210 HydrophobicContact CD1-CB 4.01Å; L71-L210 HydrophobicContact CD1-CD1 4.23Å
72S95.9Very high86.5Confident0 Ų053.9 Ų53.90%029%0.294CS..EExtended strand (participates in β ladder)trans-115.3123.3-179.7-57.20000110.3I55 K56 F70 F74 T85 R86I55-S72 WeakPolarHBondContact CA-O 3.4Å; K56-S72 PolarHBondContact N-O 2.9Å; K56-S72 PolarHBondContact O-N 3.4Å; F70-S72 PolarHBondContact O-N 3.47Å; S72-F74 WeakPolarHBondContact O-CD2 3.35Å; S72-T85 CarbonylContact C-O 3.48Å; S72-T85 WeakPolarHBondContact CA-O 3.44Å; S72-R86 WeakPolarHBondContact OG-CG 3.4Å; S72-R86 PolarHBondContact OG-NH1 3.1Å
73V95.1Very high86.7Confident0 Ų056.6 Ų56.60%031%0.31CS..EExtended strand (participates in β ladder)trans-95.9121174.8-173.40000108.2V52 I55 L71 V83 I84 T85 T217V52-V73 HydrophobicContact CG1-CG1 3.77Å; V52-V73 HydrophobicContact CG2-CG1 4.3Å; I55-V73 HydrophobicContact CG1-CG1 4.34Å; I55-V73 HydrophobicContact CG1-CG2 4.38Å; L71-V73 HydrophobicContact CD2-CG2 3.81Å; V73-V83 WeakPolarHBondContact O-CA 3.1Å; V73-I84 HydrophobicContact CB-CG2 4.26Å; V73-I84 HydrophobicContact CG1-CG2 4.2Å; V73-I84 PolarHBondContact O-N 2.94Å; V73-T85 PolarHBondContact N-O 3.12Å; V73-T217 HydrophobicContact CG1-CG2 4.03Å
74F93.5Very high87.3Confident38 Ų3855.6 Ų55.617%0.16730%0.301CS..EExtended strand (participates in β ladder)trans-104.7128.5-179.2-64.9-104.1000110.2V52 V53 S54 K56 S72 T81 E82 V83V52-F74 WeakPolarHBondContact CA-O 2.99Å; V52-F74 WeakPolarHBondContact CG1-O 3.4Å; V53-F74 PolarHBondContact N-O 3.47Å; S54-F74 WeakPolarHBondContact O-CB 3.29Å; S54-F74 PolarHBondContact O-N 3.16Å; K56-F74 HydrophobicContact CB-CE2 4.03Å; K56-F74 HydrophobicContact CD-CD2 4.49Å; K56-F74 HydrophobicContact CD-CE2 3.78Å; K56-F74 HydrophobicContact CD-CZ 4.17Å; K56-F74 HydrophobicContact CG-CD2 4.34Å; K56-F74 HydrophobicContact CG-CE2 3.86Å; S72-F74 WeakPolarHBondContact O-CD2 3.35Å; F74-T81 HydrophobicContact CB-CG2 3.86Å; F74-T81 HydrophobicContact CD1-CG2 4.22Å; F74-E82 CarbonylContact C-O 3.36Å; F74-E82 WeakPolarHBondContact CA-O 3.36Å; F74-V83 HydrophobicContact CD1-CG2 3.6Å; F74-V83 HydrophobicContact CE1-CG2 3.28Å; F74-V83 HydrophobicContact CE2-CG2 4.28Å; F74-V83 HydrophobicContact CG-CG2 4.25Å; F74-V83 HydrophobicContact CZ-CG2 3.66Å
75T89.8Confident87.9Confident6 Ų653.2 Ų53.24%0.03729%0.286CS..EExtended strand (participates in β ladder)trans-118.2144.9178.150.70000112.4P50 K51 T81 E82 I84P50-T75 HydrophobicContact CB-CG2 4.05Å; K51-T75 CarbonylContact O-C 3.55Å; K51-T75 WeakPolarHBondContact O-CA 3.43Å; T75-T81 WeakPolarHBondContact O-CA 3.42Å; T75-E82 PolarHBondContact N-O 3.2Å; T75-E82 PolarHBondContact O-N 2.88Å; T75-I84 HydrophobicContact CG2-CB 4.2Å; T75-I84 HydrophobicContact CG2-CD1 4.29Å; T75-I84 HydrophobicContact CG2-CG2 3.61Å
76L87.7Confident88.4Confident80 Ų8055 Ų5542%0.41928%0.277SS..EExtended strand (participates in β ladder)trans-84.9116.8169.5-175.764.3000109.7K51 V53 K80K51-L76 PolarHBondContact O-N 2.79Å; V53-L76 HydrophobicContact CG2-CB 3.56Å; L76-K80 CarbonylContact C-O 3.59Å; L76-K80 WeakPolarHBondContact CA-O 3.48Å
77W79.8Confident88.8Confident80 Ų8052.2 Ų52.230%0.30326%0.259SS..EExtended strand (participates in β ladder)trans-131.2127.1172.7-168.243.3000110.3P50 T79 K80P50-W77 HydrophobicContact CG-CG 4.45Å; W77-T79 PolarHBondContact O-N 3.37Å; W77-K80 PolarHBondContact N-O 3.5Å; W77-K80 PolarHBondContact O-N 3.19Å
78R72.9Confident89.2Confident145 Ų14548.9 Ų48.955%0.54724%0.235SC..THydrogen-bonded Turntrans50.935.1175.3-58174.2176.2176.6-0.5114.7S47S47-R78 PolarHBondContact OG-NH2 3.1Å
79T75.1Confident89.2Confident133 Ų13349 Ų4982%0.81624%0.235SC*.THydrogen-bonded Turntrans77.6-2.3-172.681.10000118W77W77-T79 PolarHBondContact O-N 3.37Å
80K84.5Confident88.9Confident134 Ų13451.2 Ų51.258%0.58325%0.249SC*.EExtended strand (participates in β ladder)trans-98.6139.4172.5-65.2-176.1179.61800111.4L76 W77 E82L76-K80 CarbonylContact C-O 3.59Å; L76-K80 WeakPolarHBondContact CA-O 3.48Å; W77-K80 PolarHBondContact N-O 3.5Å; W77-K80 PolarHBondContact O-N 3.19Å; K80-E82 HydrophobicContact CB-CG 4.18Å; K80-E82 WeakPolarHBondContact CD-OE1 3.29Å
81T89.3Confident88.4Confident76 Ų7652.6 Ų52.647%0.46625%0.253SS..EExtended strand (participates in β ladder)trans-93.5117.2167.4-55.60000108.5V53 F74 T75V53-T81 HydrophobicContact CB-CG2 4.4Å; V53-T81 HydrophobicContact CG2-CG2 4.43Å; F74-T81 HydrophobicContact CB-CG2 3.86Å; F74-T81 HydrophobicContact CD1-CG2 4.22Å; T75-T81 WeakPolarHBondContact O-CA 3.42Å
82E90.5Very high87Confident91 Ų9153.2 Ų53.243%0.42526%0.26SS..EExtended strand (participates in β ladder)trans-127.6154-178-65-176.9176.800110.4F74 T75 K80 I84F74-E82 CarbonylContact C-O 3.36Å; F74-E82 WeakPolarHBondContact CA-O 3.36Å; T75-E82 PolarHBondContact N-O 3.2Å; T75-E82 PolarHBondContact O-N 2.88Å; K80-E82 HydrophobicContact CB-CG 4.18Å; K80-E82 WeakPolarHBondContact CD-OE1 3.29Å; E82-I84 PolarHBondContact O-N 3.29Å
83V90.4Very high85.5Confident68 Ų6853.9 Ų53.941%0.41226%0.264SS..EExtended strand (participates in β ladder)trans-80.5108.9175178.40000108.1V73 F74 T85 R86V73-V83 WeakPolarHBondContact O-CA 3.1Å; F74-V83 HydrophobicContact CD1-CG2 3.6Å; F74-V83 HydrophobicContact CE1-CG2 3.28Å; F74-V83 HydrophobicContact CE2-CG2 4.28Å; F74-V83 HydrophobicContact CG-CG2 4.25Å; F74-V83 HydrophobicContact CZ-CG2 3.66Å; V83-T85 WeakPolarHBondContact CG1-O 3.25Å; V83-R86 HydrophobicContact CG1-CB 4.13Å
84I90.3Very high83.7Confident35 Ų3559.3 Ų59.318%0.17929%0.293CS..EExtended strand (participates in β ladder)trans-81.7-38.4178.1-166.5167.9000111.2V73 T75 E82 T217 K220V73-I84 HydrophobicContact CB-CG2 4.26Å; V73-I84 HydrophobicContact CG1-CG2 4.2Å; V73-I84 PolarHBondContact O-N 2.94Å; T75-I84 HydrophobicContact CG2-CB 4.2Å; T75-I84 HydrophobicContact CG2-CD1 4.29Å; T75-I84 HydrophobicContact CG2-CG2 3.61Å; E82-I84 PolarHBondContact O-N 3.29Å; I84-T217 HydrophobicContact CD1-CG2 4.42Å; I84-T217 HydrophobicContact CG2-CG2 3.58Å; I84-K220 HydrophobicContact CD1-CB 3.69Å; I84-K220 HydrophobicContact CG1-CB 3.73Å; I84-K220 HydrophobicContact CG1-CD 3.83Å; I84-K220 HydrophobicContact CG1-CG 4.44Å; I84-K220 WeakPolarHBondContact O-CD 3.38Å; I84-K220 WeakPolarHBondContact O-CE 3.22Å; I84-K220 PolarHBondContact O-NZ 2.87Å
85T93.3Very high82Confident1 Ų158.5 Ų58.51%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-135.7135-178.9-67.10000109.7S72 V73 V83 V87 L216 T217 K220S72-T85 CarbonylContact C-O 3.48Å; S72-T85 WeakPolarHBondContact CA-O 3.44Å; V73-T85 PolarHBondContact N-O 3.12Å; V83-T85 WeakPolarHBondContact CG1-O 3.25Å; T85-V87 HydrophobicContact CG2-CG2 3.89Å; T85-L216 HydrophobicContact CG2-CB 3.83Å; T85-L216 HydrophobicContact CG2-CD1 4.39Å; T85-T217 VanDerWaalsContact CB-OG1 3.27Å; T85-T217 WeakPolarHBondContact CB-OG1 3.4Å; T85-T217 PolarHBondContact OG1-OG1 2.98Å; T85-T217 VanDerWaalsContact OG1-OG1 3.05Å; T85-K220 PolarHBondContact OG1-NZ 2.89Å
86R93.5Very high80.4Confident91 Ų9158.6 Ų58.634%0.34329%0.29SS..EExtended strand (participates in β ladder)trans-132130.6168.3-173.9167.4-179105.6-2.4106.4D58 F70 L71 S72 V83D58-R86 IonicContact OD2-CZ 3.65Å; D58-R86 IonicContact OD2-NH1 2.85Å; D58-R86 PolarHBondContact OD2-NH1 2.92Å; D58-R86 IonicContact OD2-NH2 3.52Å; F70-R86 HydrophobicContact CB-CG 4.37Å; F70-R86 VanDerWaalsContact CB-NH2 3.32Å; F70-R86 HydrophobicContact CD1-CG 4.05Å; F70-R86 VanDerWaalsContact CD1-NE 3.31Å; L71-R86 CarbonylContact O-C 3.57Å; L71-R86 VanDerWaalsContact O-CA 3.31Å; L71-R86 WeakPolarHBondContact O-CA 3.33Å; S72-R86 WeakPolarHBondContact OG-CG 3.4Å; S72-R86 PolarHBondContact OG-NH1 3.1Å; V83-R86 HydrophobicContact CG1-CB 4.13Å
87V93Very high78.6Confident2 Ų261.6 Ų61.61%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-129.1133.8176-177.80000107.9F70 L71 T85 W209 S213 L216F70-V87 CarbonylContact C-O 3.58Å; F70-V87 WeakPolarHBondContact CA-O 3.4Å; L71-V87 PolarHBondContact N-O 3.01Å; L71-V87 PolarHBondContact O-N 2.92Å; T85-V87 HydrophobicContact CG2-CG2 3.89Å; V87-W209 HydrophobicContact CG1-CE3 3.54Å; V87-W209 HydrophobicContact CG1-CZ3 3.86Å; V87-S213 WeakPolarHBondContact CB-OG 3.21Å; V87-S213 WeakPolarHBondContact CG2-OG 3.37Å; V87-L216 HydrophobicContact CG2-CD1 3.52Å
88N91.5Very high77.2Confident10 Ų1059.3 Ų59.35%0.05330%0.302CS..EExtended strand (participates in β ladder)trans-103.5145.8178.579-75.8000111.6S69 F70 Q641S69-N88 CarbonylContact O-C 3.54Å; S69-N88 VanDerWaalsContact O-CA 3.3Å; S69-N88 WeakPolarHBondContact O-CA 3.33Å; F70-N88 HydrophobicContact CD1-CB 3.51Å; F70-N88 HydrophobicContact CD2-CB 4.32Å; F70-N88 HydrophobicContact CE1-CB 3.34Å; F70-N88 HydrophobicContact CE2-CB 4.14Å; F70-N88 HydrophobicContact CG-CB 4.03Å; F70-N88 HydrophobicContact CZ-CB 3.68Å; N88-Q641 PolarHBondContact ND2-O 3.45Å
89Y89.6Confident76.3Confident6 Ų652.6 Ų52.62%0.02428%0.277CS..EExtended strand (participates in β ladder)trans-151.9163.3179.758.5-83.1000111.4V57 S68 S69 L71 Y91 T205 D206 W209V57-Y89 WeakPolarHBondContact CG1-OH 3.48Å; S68-Y89 CarbonylContact C-O 3.55Å; S68-Y89 VanDerWaalsContact CA-O 3.29Å; S68-Y89 WeakPolarHBondContact CA-O 3.3Å; S68-Y89 WeakPolarHBondContact CB-O 3.46Å; S69-Y89 PolarHBondContact N-O 3Å; S69-Y89 WeakPolarHBondContact O-CD1 3.4Å; S69-Y89 PolarHBondContact O-N 3.3Å; L71-Y89 HydrophobicContact CB-CE1 3.91Å; Y89-Y91 HydrophobicContact CE2-CD1 4.34Å; Y89-Y91 AromaticContact CE2-CE1 3.82Å; Y89-Y91 HydrophobicContact CE2-CE1 3.82Å; Y89-T205 HydrophobicContact CD2-CG2 3.66Å; Y89-T205 HydrophobicContact CE2-CG2 3.96Å; Y89-D206 WeakPolarHBondContact CE2-OD1 3.45Å; Y89-D206 PolarHBondContact OH-OD1 3.43Å; Y89-W209 VanDerWaalsContact CB-CE2 3.46Å; Y89-W209 HydrophobicContact CD1-CB 3.68Å; Y89-W209 AromaticContact CD1-CD1 3.66Å; Y89-W209 HydrophobicContact CD1-CD2 4.2Å; Y89-W209 AromaticContact CD1-CG 3.53Å; Y89-W209 HydrophobicContact CD1-CG 3.53Å; Y89-W209 AromaticContact CD2-CD1 3.34Å; Y89-W209 HydrophobicContact CD2-CG 4.08Å; Y89-W209 AromaticContact CD2-NE1 3.86Å; Y89-W209 HydrophobicContact CE1-CB 3.77Å; Y89-W209 HydrophobicContact CE1-CG 4.08Å; Y89-W209 AromaticContact CE2-CD1 3.9Å; Y89-W209 HydrophobicContact CG-CB 4.15Å; Y89-W209 AromaticContact CG-CD1 3.17Å; Y89-W209 HydrophobicContact CG-CD2 4.09Å; Y89-W209 AromaticContact CG-CG 3.53Å; Y89-W209 HydrophobicContact CG-CG 3.53Å; Y89-W209 AromaticContact CG-NE1 3.61Å
90V84.3Confident75.4Confident49 Ų4948 Ų4830%0.29726%0.256SS..  trans-116.6140.1175.9-179.50000107.6
91Y80.5Confident74Confident59 Ų5945.6 Ų45.623%0.23125%0.25CC..SBendtrans-74.4140.6175.1-69.5-66.1000112.1S69 Y89 L103 I202 T205 D206S69-Y91 WeakPolarHBondContact OG-CE2 3.36Å; Y89-Y91 HydrophobicContact CE2-CD1 4.34Å; Y89-Y91 AromaticContact CE2-CE1 3.82Å; Y89-Y91 HydrophobicContact CE2-CE1 3.82Å; Y91-L103 HydrophobicContact CD2-CD2 4.28Å; Y91-L103 HydrophobicContact CG-CD2 4.3Å; Y91-I202 HydrophobicContact CD1-CD1 3.74Å; Y91-I202 HydrophobicContact CD1-CG1 3.38Å; Y91-I202 HydrophobicContact CD2-CD1 4.43Å; Y91-I202 HydrophobicContact CE1-CD1 4.23Å; Y91-I202 HydrophobicContact CE1-CG1 3.78Å; Y91-I202 HydrophobicContact CG-CD1 3.85Å; Y91-I202 HydrophobicContact CG-CG1 4.02Å; Y91-T205 HydrophobicContact CD1-CG2 3.87Å; Y91-T205 HydrophobicContact CE1-CG2 4.35Å; Y91-D206 VanDerWaalsContact CE1-OD1 3.29Å; Y91-D206 WeakPolarHBondContact CE1-OD1 3.35Å; Y91-D206 PolarHBondContact OH-OD1 3.4Å
92G66.5Low72.5Confident13 Ų1343.5 Ų43.513%0.13424%0.235CC..SBendtrans74.6-160.7176.700000112.9Y99G92-Y99 VanDerWaalsContact N-CE1 3.32Å
93C65Low70.9Confident14 Ų1442.7 Ų42.710%0.09523%0.233CC..  trans-148.8133.7-165.1160.70000108.2Y95 C96 C610C93-Y95 PolarHBondContact O-N 3.26Å; C93-Y95 WeakPolarHBondContact SG-CD2 3.37Å; C93-Y95 PolarHBondContact SG-N 2.91Å; C93-Y95 VanDerWaalsContact SG-N 3.41Å; C93-C96 HydrophobicContact CB-CB 4.1Å; C93-C96 PolarHBondContact O-N 3.24Å; C93-C610 WeakPolarHBondContact CB-SG 3.47Å
94N57.5Low69.1Low114 Ų11446.2 Ų46.261%0.6125%0.25SC*.THydrogen-bonded Turntrans-56.9-18.5-179.2-72.5-39.9000113.5N639N94-N639 PolarHBondContact ND2-OD1 3.48Å
95Y56.3Low67.3Low21 Ų2151.1 Ų51.18%0.08227%0.27CS..THydrogen-bonded Turntrans-94.8-14.9179-45.5-66.3000113C93 L97 K290 L371 I443 I444 P446C93-Y95 PolarHBondContact O-N 3.26Å; C93-Y95 WeakPolarHBondContact SG-CD2 3.37Å; C93-Y95 PolarHBondContact SG-N 2.91Å; C93-Y95 VanDerWaalsContact SG-N 3.41Å; Y95-L97 PolarHBondContact O-N 3.09Å; Y95-K290 WeakPolarHBondContact OH-CE 3.49Å; Y95-K290 PolarHBondContact OH-NZ 2.98Å; Y95-L371 HydrophobicContact CD1-CD2 4.22Å; Y95-I443 HydrophobicContact CD2-CG2 3.25Å; Y95-I443 HydrophobicContact CE2-CD1 4.26Å; Y95-I443 HydrophobicContact CE2-CG2 3.78Å; Y95-I443 HydrophobicContact CG-CG2 3.81Å; Y95-I444 VanDerWaalsContact CB-O 3.26Å; Y95-I444 WeakPolarHBondContact CB-O 3.47Å; Y95-P446 WeakPolarHBondContact O-CB 3.47Å; Y95-P446 WeakPolarHBondContact O-CD 3.38Å; Y95-P446 WeakPolarHBondContact O-CG 3.48Å
96C56.5Low65.4Low9 Ų953.6 Ų53.66%0.06129%0.287CS..  trans-96.781.3-178.5-680000112C93 S98 Y99 L199C93-C96 HydrophobicContact CB-CB 4.1Å; C93-C96 PolarHBondContact O-N 3.24Å; C96-S98 PolarHBondContact O-N 3.41Å; C96-Y99 HydrophobicContact CB-CD2 4.26Å; C96-Y99 WeakPolarHBondContact O-CB 3.43Å; C96-Y99 PolarHBondContact O-N 3.27Å; C96-L199 HydrophobicContact CB-CD2 4.01Å
97L51Low63.6Low143 Ų14352.7 Ų52.775%0.74929%0.292SS*.THydrogen-bonded Turntrans-54.2-26.3176.3-68.7171.1000114Y95Y95-L97 PolarHBondContact O-N 3.09Å
98S49.8Very low62.1Low32 Ų3257.8 Ų57.822%0.22433%0.325CS..THydrogen-bonded Turntrans-78.4-13.4176.547.70000114.7C96 G100 D101 L199C96-S98 PolarHBondContact O-N 3.41Å; S98-G100 PolarHBondContact O-N 2.77Å; S98-D101 WeakPolarHBondContact O-CB 3.43Å; S98-D101 PolarHBondContact O-N 2.83Å; S98-D101 VanDerWaalsContact O-N 3.11Å; S98-L199 VanDerWaalsContact OG-CD1 3.32Å; S98-L199 WeakPolarHBondContact OG-CD1 3.39Å; S98-L199 WeakPolarHBondContact OG-CD2 3.47Å
99Y54.6Low61.5Low4 Ų460.5 Ų60.52%0.01635%0.345CS..Hα-helixtrans-68.6-24.9-174.9-143.9-83000112.5G92 C96 D101 I102 L103 L199 I202 T205G92-Y99 VanDerWaalsContact N-CE1 3.32Å; C96-Y99 HydrophobicContact CB-CD2 4.26Å; C96-Y99 WeakPolarHBondContact O-CB 3.43Å; C96-Y99 PolarHBondContact O-N 3.27Å; Y99-D101 VanDerWaalsContact C-N 3.25Å; Y99-D101 PolarHBondContact O-N 2.88Å; Y99-I102 HydrophobicContact CD2-CD1 4.38Å; Y99-I102 PolarHBondContact O-N 3.16Å; Y99-I102 VanDerWaalsContact O-N 3.12Å; Y99-L103 HydrophobicContact CD1-CD1 4.22Å; Y99-L103 HydrophobicContact CD1-CG 4.23Å; Y99-L103 PolarHBondContact O-N 3.49Å; Y99-L199 HydrophobicContact CD2-CD2 4.05Å; Y99-I202 HydrophobicContact CE1-CD1 4.14Å; Y99-I202 HydrophobicContact CE1-CG1 4.01Å; Y99-T205 PolarHBondContact OH-OG1 2.85Å; Y99-T205 VanDerWaalsContact OH-OG1 3.1Å
100G55.1Low61.4Low36 Ų3662.7 Ų62.737%0.37136%0.355SS..Hα-helixtrans-60.6-30.6171.500000113.9S98 N104S98-G100 PolarHBondContact O-N 2.77Å; G100-N104 PolarHBondContact O-ND2 2.93Å; G100-N104 VanDerWaalsContact O-ND2 3.09Å
101D54.6Low61.6Low84 Ų8461.4 Ų61.445%0.44935%0.346SS..Hα-helixtrans-74-31.6175.3-61.1-38.8000111.4S98 Y99 K449S98-D101 WeakPolarHBondContact O-CB 3.43Å; S98-D101 PolarHBondContact O-N 2.83Å; S98-D101 VanDerWaalsContact O-N 3.11Å; Y99-D101 VanDerWaalsContact C-N 3.25Å; Y99-D101 PolarHBondContact O-N 2.88Å; D101-K449 IonicContact OD2-NZ 3.55Å; D101-K449 PolarHBondContact OD2-NZ 3.18Å
102I58.6Low62.2Low32 Ų3261.4 Ų61.416%0.16436%0.355CS..Hα-helixtrans-75.8-40.7179.1-57.9174.7000110.7Y99 N104 K105 L199 I202Y99-I102 HydrophobicContact CD2-CD1 4.38Å; Y99-I102 PolarHBondContact O-N 3.16Å; Y99-I102 VanDerWaalsContact O-N 3.12Å; I102-N104 PolarHBondContact O-N 2.75Å; I102-N104 VanDerWaalsContact O-N 3.17Å; I102-K105 PolarHBondContact O-N 3.19Å; I102-L199 HydrophobicContact CD1-CB 3.7Å; I102-L199 HydrophobicContact CD1-CD2 4.31Å; I102-L199 HydrophobicContact CD1-CG 4.42Å; I102-I202 HydrophobicContact CG2-CB 4.46Å
103L56.8Low63.4Low74 Ų7464.4 Ų64.439%0.38737%0.37SS..Hα-helixtrans-52.3-33.1173.3-89.2156.9000113.1Y91 Y99 K105 S106 I202Y91-L103 HydrophobicContact CD2-CD2 4.28Å; Y91-L103 HydrophobicContact CG-CD2 4.3Å; Y99-L103 HydrophobicContact CD1-CD1 4.22Å; Y99-L103 HydrophobicContact CD1-CG 4.23Å; Y99-L103 PolarHBondContact O-N 3.49Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-S106 PolarHBondContact O-OG 2.75Å; L103-I202 HydrophobicContact CD2-CD1 3.48Å; L103-I202 VanDerWaalsContact CD2-CD1 3.48Å; L103-I202 HydrophobicContact CG-CD1 3.85Å
104N52.4Low64.7Low142 Ų14263.8 Ų63.876%0.75937%0.366SS*.THydrogen-bonded Turntrans-80.4-8.4178.6-66.5-37.1000114.2G100 I102G100-N104 PolarHBondContact O-ND2 2.93Å; G100-N104 VanDerWaalsContact O-ND2 3.09Å; I102-N104 PolarHBondContact O-N 2.75Å; I102-N104 VanDerWaalsContact O-N 3.17Å
105K52.5Low66.4Low137 Ų13758.8 Ų58.860%0.59634%0.339SS*.THydrogen-bonded Turntrans-108.4-3-175.1-77.6-162.7172.8-165.70114.6I102 L103 E157I102-K105 PolarHBondContact O-N 3.19Å; L103-K105 VanDerWaalsContact C-N 3.33Å; K105-E157 IonicContact NZ-OE1 2.72Å; K105-E157 IonicContact NZ-OE2 3.84Å; K105-E157 PolarHBondContact NZ-OE2 2.85Å
106S53.7Low68.1Low53 Ų5364 Ų6437%0.37136%0.364SS..  trans-83.6136-168.155.80000115.7L103L103-S106 PolarHBondContact O-OG 2.75Å
107T54.7Low69.7Low73 Ų7365.3 Ų65.345%0.44837%0.374SS..  trans-103121.2174.9360000111.5S109 E110T107-S109 PolarHBondContact O-N 3.3Å; T107-S109 VanDerWaalsContact O-N 3.12Å; T107-E110 VanDerWaalsContact CB-OE2 3.25Å; T107-E110 WeakPolarHBondContact CB-OE2 3.32Å; T107-E110 VanDerWaalsContact OG1-CD 3.27Å; T107-E110 PolarHBondContact OG1-OE1 2.87Å; T107-E110 PolarHBondContact OG1-OE2 2.98Å
108P63.3Low71.7Confident108 Ų10858.5 Ų58.570%0.70134%0.338SS*.THydrogen-bonded Turntrans-66.5-6.6176.6-24.935.5000115.9S112P108-S112 PolarHBondContact O-OG 2.59Å
109S79Confident73.7Confident68 Ų6858.2 Ų58.248%0.47633%0.334SS..Hα-helixtrans-68.1-46.5-174.527.10000113.4T107 F111 S112 V113T107-S109 PolarHBondContact O-N 3.3Å; T107-S109 VanDerWaalsContact O-N 3.12Å; S109-F111 PolarHBondContact O-N 3.39Å; S109-S112 VanDerWaalsContact O-CB 3.29Å; S109-S112 WeakPolarHBondContact O-CB 3.27Å; S109-S112 PolarHBondContact O-N 2.85Å; S109-S112 VanDerWaalsContact O-N 3.1Å; S109-V113 PolarHBondContact O-N 2.76Å
110E85.9Confident75.3Confident52 Ų5263.4 Ų63.424%0.24336%0.362CS..Hα-helixtrans-73.2-33.5-169.8-62.795.1112.300112.3T107 S112 V113 C114 F142 Y146 I203T107-E110 VanDerWaalsContact CB-OE2 3.25Å; T107-E110 WeakPolarHBondContact CB-OE2 3.32Å; T107-E110 VanDerWaalsContact OG1-CD 3.27Å; T107-E110 PolarHBondContact OG1-OE1 2.87Å; T107-E110 PolarHBondContact OG1-OE2 2.98Å; E110-S112 VanDerWaalsContact C-N 3.27Å; E110-S112 PolarHBondContact O-N 2.85Å; E110-V113 PolarHBondContact O-N 3.26Å; E110-C114 PolarHBondContact O-N 3.41Å; E110-C114 VanDerWaalsContact O-N 3.16Å; E110-F142 HydrophobicContact CB-CZ 4.49Å; E110-F142 WeakPolarHBondContact O-CZ 3.41Å; E110-Y146 HydrophobicContact CB-CD2 4.02Å; E110-Y146 HydrophobicContact CB-CE2 3.75Å; E110-Y146 HydrophobicContact CG-CD2 4.18Å; E110-Y146 HydrophobicContact CG-CE2 3.72Å; E110-Y146 WeakPolarHBondContact OE1-CE2 3.34Å; E110-I203 HydrophobicContact CB-CD1 3.98Å
111F89.9Confident76.9Confident21 Ų2165.2 Ų65.29%0.09236%0.363CS..Hα-helixtrans-61.1-38.9169.9178.6-105.5000111.5V57 L71 S109 V113 C114 V115 I203 D206 L207 L210V57-F111 HydrophobicContact CG2-CD1 4.38Å; V57-F111 HydrophobicContact CG2-CE1 3.63Å; V57-F111 HydrophobicContact CG2-CZ 4.17Å; L71-F111 HydrophobicContact CD1-CZ 3.88Å; S109-F111 PolarHBondContact O-N 3.39Å; F111-V113 VanDerWaalsContact C-N 3.33Å; F111-V113 PolarHBondContact O-N 3.06Å; F111-C114 WeakPolarHBondContact O-CB 3.37Å; F111-C114 PolarHBondContact O-N 2.92Å; F111-V115 HydrophobicContact CD1-CG2 4.08Å; F111-V115 HydrophobicContact CE1-CG2 3.51Å; F111-V115 HydrophobicContact CE2-CG2 4.06Å; F111-V115 HydrophobicContact CZ-CG2 3.51Å; F111-V115 WeakPolarHBondContact O-CG2 3.21Å; F111-V115 PolarHBondContact O-N 2.87Å; F111-I203 HydrophobicContact CB-CD1 4.16Å; F111-I203 HydrophobicContact CB-CG1 4.32Å; F111-D206 HydrophobicContact CD2-CB 3.41Å; F111-D206 VanDerWaalsContact CD2-CB 3.41Å; F111-D206 HydrophobicContact CE2-CB 3.53Å; F111-D206 HydrophobicContact CG-CB 4Å; F111-D206 HydrophobicContact CZ-CB 4.21Å; F111-L207 HydrophobicContact CD2-CD2 4.02Å; F111-L207 HydrophobicContact CE2-CD2 4.15Å; F111-L210 HydrophobicContact CE2-CB 4.16Å; F111-L210 HydrophobicContact CE2-CD2 4.05Å; F111-L210 HydrophobicContact CZ-CB 4.45Å
112S91.6Very high78.5Confident60 Ų6061.6 Ų61.642%0.4234%0.343SS..Hα-helixtrans-62.6-39.4177.1-54.30000111.9P108 S109 E110 V115 E116P108-S112 PolarHBondContact O-OG 2.59Å; S109-S112 VanDerWaalsContact O-CB 3.29Å; S109-S112 WeakPolarHBondContact O-CB 3.27Å; S109-S112 PolarHBondContact O-N 2.85Å; S109-S112 VanDerWaalsContact O-N 3.1Å; E110-S112 VanDerWaalsContact C-N 3.27Å; E110-S112 PolarHBondContact O-N 2.85Å; S112-V115 PolarHBondContact O-N 3.39Å; S112-E116 WeakPolarHBondContact O-CG 3.39Å; S112-E116 PolarHBondContact O-N 2.94Å
113V91.6Very high79.6Confident76 Ų7662.7 Ų62.746%0.46135%0.349SS..Hα-helixtrans-63-40.9174.6177.50000111.9S109 E110 F111 S117 F142S109-V113 PolarHBondContact O-N 2.76Å; E110-V113 PolarHBondContact O-N 3.26Å; F111-V113 VanDerWaalsContact C-N 3.33Å; F111-V113 PolarHBondContact O-N 3.06Å; V113-S117 PolarHBondContact O-N 3.13Å; V113-S117 PolarHBondContact O-OG 3.12Å; V113-F142 HydrophobicContact CG1-CE2 4.27Å
114C93.1Very high80.5Confident0 Ų066.1 Ų66.10%037%0.368CS..Hα-helixtrans-63.2-43.8173.4-170.60000111.4E110 F111 S117 V118 F142 L207E110-C114 PolarHBondContact O-N 3.41Å; E110-C114 VanDerWaalsContact O-N 3.16Å; F111-C114 WeakPolarHBondContact O-CB 3.37Å; F111-C114 PolarHBondContact O-N 2.92Å; C114-S117 PolarHBondContact O-N 2.94Å; C114-V118 WeakPolarHBondContact O-CB 3.48Å; C114-V118 VanDerWaalsContact O-CG2 3.27Å; C114-V118 WeakPolarHBondContact O-CG2 3.34Å; C114-V118 PolarHBondContact O-N 3.15Å; C114-F142 HydrophobicContact CB-CD1 3.77Å; C114-F142 HydrophobicContact CB-CD2 3.99Å; C114-F142 HydrophobicContact CB-CE1 3.67Å; C114-F142 HydrophobicContact CB-CE2 3.88Å; C114-F142 HydrophobicContact CB-CG 3.96Å; C114-F142 HydrophobicContact CB-CZ 3.74Å; C114-L207 HydrophobicContact CB-CD2 4.05Å; C114-L207 VanDerWaalsContact SG-CD2 3.55Å
115V93.7Very high81.7Confident9 Ų960.2 Ų60.26%0.05534%0.338CS..Hα-helixtrans-62-47.4178.9164.30000111.8I55 F111 S112 S117 V118 L119 L210I55-V115 HydrophobicContact CB-CG1 3.84Å; I55-V115 HydrophobicContact CB-CG2 4.39Å; I55-V115 HydrophobicContact CG1-CG1 4.48Å; I55-V115 HydrophobicContact CG2-CG2 4.47Å; F111-V115 HydrophobicContact CD1-CG2 4.08Å; F111-V115 HydrophobicContact CE1-CG2 3.51Å; F111-V115 HydrophobicContact CE2-CG2 4.06Å; F111-V115 HydrophobicContact CZ-CG2 3.51Å; F111-V115 WeakPolarHBondContact O-CG2 3.21Å; F111-V115 PolarHBondContact O-N 2.87Å; S112-V115 PolarHBondContact O-N 3.39Å; V115-S117 VanDerWaalsContact C-N 3.31Å; V115-S117 PolarHBondContact O-N 3Å; V115-V118 PolarHBondContact O-N 2.92Å; V115-L119 HydrophobicContact CG1-CD1 3.82Å; V115-L119 HydrophobicContact CG1-CG 4.28Å; V115-L119 WeakPolarHBondContact O-CB 3.28Å; V115-L119 VanDerWaalsContact O-CG 3.24Å; V115-L119 WeakPolarHBondContact O-CG 3.29Å; V115-L119 PolarHBondContact O-N 3.11Å; V115-L210 HydrophobicContact CG2-CD1 4.42Å; V115-L210 HydrophobicContact CG2-CD2 4.49Å
116E92.4Very high82.9Confident131 Ų13160.2 Ų60.261%0.61234%0.344SS*.Hα-helixtrans-57.2-46.1177.1-73.4178.7169.800111.3S112 V118 L119 D120S112-E116 WeakPolarHBondContact O-CG 3.39Å; S112-E116 PolarHBondContact O-N 2.94Å; E116-V118 PolarHBondContact O-N 3.41Å; E116-L119 PolarHBondContact O-N 3.14Å; E116-D120 PolarHBondContact O-N 3.14Å; E116-D120 VanDerWaalsContact O-N 3.09Å
117S89.8Confident84.3Confident36 Ų3658.3 Ų58.325%0.25233%0.328SS..Hα-helixtrans-67.1-37179.9-50.90000113.1V113 C114 V115 D120 L121 Y138V113-S117 PolarHBondContact O-N 3.13Å; V113-S117 PolarHBondContact O-OG 3.12Å; C114-S117 PolarHBondContact O-N 2.94Å; V115-S117 VanDerWaalsContact C-N 3.31Å; V115-S117 PolarHBondContact O-N 3Å; S117-D120 PolarHBondContact O-N 2.93Å; S117-L121 PolarHBondContact O-N 3.37Å; S117-Y138 WeakPolarHBondContact CB-OH 3.3Å; S117-Y138 PolarHBondContact OG-OH 2.97Å
118V92.5Very high85.7Confident0 Ų056.7 Ų56.70%032%0.32CS..Hα-helixtrans-71.4-35.2175.1168.60000111.3C114 V115 E116 D120 L121 L122 V135 Y138 I139 L214C114-V118 WeakPolarHBondContact O-CB 3.48Å; C114-V118 VanDerWaalsContact O-CG2 3.27Å; C114-V118 WeakPolarHBondContact O-CG2 3.34Å; C114-V118 PolarHBondContact O-N 3.15Å; V115-V118 PolarHBondContact O-N 2.92Å; E116-V118 PolarHBondContact O-N 3.41Å; V118-D120 VanDerWaalsContact C-N 3.29Å; V118-D120 PolarHBondContact O-N 3.21Å; V118-L121 PolarHBondContact O-N 2.95Å; V118-L122 HydrophobicContact CG1-CD1 3.75Å; V118-L122 HydrophobicContact CG1-CG 4.23Å; V118-L122 WeakPolarHBondContact O-CB 3.4Å; V118-L122 VanDerWaalsContact O-CG 3.25Å; V118-L122 WeakPolarHBondContact O-CG 3.34Å; V118-L122 PolarHBondContact O-N 2.84Å; V118-V135 HydrophobicContact CG1-CG1 4.27Å; V118-Y138 HydrophobicContact CG2-CD1 3.79Å; V118-Y138 HydrophobicContact CG2-CE1 4.14Å; V118-I139 HydrophobicContact CG2-CG1 4.12Å; V118-L214 HydrophobicContact CG1-CD1 3.66Å
119L92Very high86.7Confident27 Ų2752.6 Ų52.614%0.14129%0.293CS..Hα-helixtrans-62.7-36.9172.5-72.7169.5000111.7V52 I55 V115 E116 L122 N123V52-L119 HydrophobicContact CB-CD2 3.8Å; V52-L119 HydrophobicContact CG1-CD2 3.36Å; I55-L119 HydrophobicContact CD1-CD2 4.4Å; I55-L119 HydrophobicContact CG1-CD2 4.27Å; V115-L119 HydrophobicContact CG1-CD1 3.82Å; V115-L119 HydrophobicContact CG1-CG 4.28Å; V115-L119 WeakPolarHBondContact O-CB 3.28Å; V115-L119 VanDerWaalsContact O-CG 3.24Å; V115-L119 WeakPolarHBondContact O-CG 3.29Å; V115-L119 PolarHBondContact O-N 3.11Å; E116-L119 PolarHBondContact O-N 3.14Å; L119-L122 PolarHBondContact O-N 2.71Å; L119-N123 PolarHBondContact O-N 3.03Å; L119-N123 PolarHBondContact O-ND2 3.44Å
120D88.7Confident87Confident113 Ų11351.8 Ų51.860%0.60429%0.288SS*.Hα-helixtrans-66.8-36.4173.8-83.8-20.8000113.5E116 S117 V118 N123E116-D120 PolarHBondContact O-N 3.14Å; E116-D120 VanDerWaalsContact O-N 3.09Å; S117-D120 PolarHBondContact O-N 2.93Å; V118-D120 VanDerWaalsContact C-N 3.29Å; V118-D120 PolarHBondContact O-N 3.21Å; D120-N123 WeakPolarHBondContact O-CB 3.3Å; D120-N123 PolarHBondContact OD1-ND2 3.39Å
121L87.6Confident87.2Confident74 Ų7452 Ų5239%0.38729%0.288SS..Hα-helixtrans-66.6-42.2171.1-175.361.6000111.7S117 V118 N123 V135S117-L121 PolarHBondContact O-N 3.37Å; V118-L121 PolarHBondContact O-N 2.95Å; L121-N123 VanDerWaalsContact C-N 3.3Å; L121-N123 PolarHBondContact O-N 3.48Å; L121-V135 HydrophobicContact CD2-CB 4.35Å; L121-V135 HydrophobicContact CD2-CG2 3.8Å; L121-V135 HydrophobicContact CG-CG2 4.33Å
122L88.8Confident87.3Confident8 Ų851 Ų514%0.04228%0.284CS..Hα-helixtrans-74.3-15.9-180-67.8171.6000113.8V52 V118 L119 N124 C125 W127 V135 L214V52-L122 HydrophobicContact CG2-CD1 4.16Å; V118-L122 HydrophobicContact CG1-CD1 3.75Å; V118-L122 HydrophobicContact CG1-CG 4.23Å; V118-L122 WeakPolarHBondContact O-CB 3.4Å; V118-L122 VanDerWaalsContact O-CG 3.25Å; V118-L122 WeakPolarHBondContact O-CG 3.34Å; V118-L122 PolarHBondContact O-N 2.84Å; L119-L122 PolarHBondContact O-N 2.71Å; L122-N124 PolarHBondContact O-N 3.5Å; L122-C125 HydrophobicContact CD2-CB 4.04Å; L122-C125 PolarHBondContact O-N 2.91Å; L122-C125 VanDerWaalsContact O-N 3.1Å; L122-W127 HydrophobicContact CD1-CH2 4.32Å; L122-W127 HydrophobicContact CD2-CE3 4.32Å; L122-W127 HydrophobicContact CD2-CH2 4.24Å; L122-W127 HydrophobicContact CD2-CZ3 3.95Å; L122-V135 HydrophobicContact CD2-CG2 3.95Å; L122-L214 HydrophobicContact CD1-CD1 4.3Å; L122-L214 HydrophobicContact CD1-CD2 3.56Å
123N82.6Confident87.4Confident54 Ų5448.4 Ų48.429%0.28927%0.266SS..THydrogen-bonded Turntrans-57.1-25.7-175.6-95.1-36.9000114.3K51 L119 D120 L121K51-N123 WeakPolarHBondContact CE-OD1 3.38Å; K51-N123 PolarHBondContact NZ-O 3.27Å; K51-N123 PolarHBondContact NZ-OD1 2.84Å; L119-N123 PolarHBondContact O-N 3.03Å; L119-N123 PolarHBondContact O-ND2 3.44Å; D120-N123 WeakPolarHBondContact O-CB 3.3Å; D120-N123 PolarHBondContact OD1-ND2 3.39Å; L121-N123 VanDerWaalsContact C-N 3.3Å; L121-N123 PolarHBondContact O-N 3.48Å
124N74.5Confident87.4Confident146 Ų14649.4 Ų49.478%0.78127%0.265SS*.THydrogen-bonded Turntrans-122.66.7179.1-61.4-39.4000113.3L122L122-N124 PolarHBondContact O-N 3.5Å
125C76.9Confident87.5Confident19 Ų1949.4 Ų49.413%0.12827%0.266CS..  trans-75.3134.5-174.5-178.70000111.3L122 W127 E131L122-C125 HydrophobicContact CD2-CB 4.04Å; L122-C125 PolarHBondContact O-N 2.91Å; L122-C125 VanDerWaalsContact O-N 3.1Å; C125-W127 VanDerWaalsContact C-N 3.26Å; C125-W127 PolarHBondContact SG-N 3.28Å; C125-E131 WeakPolarHBondContact CA-OE1 3.39Å; C125-E131 VanDerWaalsContact SG-CB 3.58Å
126L78.1Confident87.6Confident136 Ų13649 Ų4971%0.71226%0.263SS*.  trans-85.12.4173.9-63.8173.5000112.9S128 E131L126-S128 PolarHBondContact O-N 3.31Å; L126-E131 WeakPolarHBondContact CA-OE2 3.37Å; L126-E131 WeakPolarHBondContact CB-OE2 3.38Å; L126-E131 VanDerWaalsContact N-CD 3.31Å; L126-E131 PolarHBondContact N-OE1 2.9Å; L126-E131 PolarHBondContact N-OE2 3.26Å; L126-E131 VanDerWaalsContact N-OE2 3.11Å
127W83Confident87.7Confident14 Ų1446.4 Ų46.45%0.05325%0.25CC..  trans61.523.4-175.6-56.994.7000114.3T49 P50 V52 L122 C125 E131 M132 L214 T217 A218 C221T49-W127 VanDerWaalsContact CG2-CD1 3.46Å; P50-W127 PolarHBondContact O-NE1 2.88Å; V52-W127 HydrophobicContact CG2-CH2 3.34Å; V52-W127 HydrophobicContact CG2-CZ2 3.26Å; L122-W127 HydrophobicContact CD1-CH2 4.32Å; L122-W127 HydrophobicContact CD2-CE3 4.32Å; L122-W127 HydrophobicContact CD2-CH2 4.24Å; L122-W127 HydrophobicContact CD2-CZ3 3.95Å; C125-W127 VanDerWaalsContact C-N 3.26Å; C125-W127 PolarHBondContact SG-N 3.28Å; W127-E131 PolarHBondContact N-OE2 3.05Å; W127-M132 HydrophobicContact CE3-SD 3.86Å; W127-M132 HydrophobicContact CZ3-SD 4.19Å; W127-L214 HydrophobicContact CH2-CD2 4.42Å; W127-L214 HydrophobicContact CZ3-CD2 4.44Å; W127-T217 HydrophobicContact CH2-CG2 3.39Å; W127-T217 HydrophobicContact CZ2-CG2 3.75Å; W127-T217 HydrophobicContact CZ3-CG2 3.98Å; W127-A218 HydrophobicContact CB-CB 4.18Å; W127-A218 HydrophobicContact CD2-CB 4.36Å; W127-A218 HydrophobicContact CE3-CB 3.61Å; W127-A218 HydrophobicContact CZ3-CB 4.31Å; W127-C221 HydrophobicContact CB-CB 4.36Å; W127-C221 HydrophobicContact CD2-CB 4.14Å; W127-C221 HydrophobicContact CG-CB 3.82Å
128S83.9Confident87.9Confident38 Ų3848.8 Ų48.827%0.26625%0.254SS..  trans-63.9151.117365.80000110.9L126 S130 E131 M132L126-S128 PolarHBondContact O-N 3.31Å; S128-S130 PolarHBondContact O-N 2.78Å; S128-E131 VanDerWaalsContact CB-OE2 3.3Å; S128-E131 WeakPolarHBondContact CB-OE2 3.48Å; S128-E131 PolarHBondContact N-OE2 2.87Å; S128-E131 PolarHBondContact O-N 3.02Å; S128-E131 VanDerWaalsContact OG-CD 3.23Å; S128-E131 VanDerWaalsContact OG-CG 3.23Å; S128-E131 WeakPolarHBondContact OG-CG 3.16Å; S128-E131 PolarHBondContact OG-N 2.88Å; S128-E131 PolarHBondContact OG-OE2 3.49Å; S128-M132 WeakPolarHBondContact O-CG 3.25Å; S128-M132 PolarHBondContact O-N 3.22Å; S128-M132 VanDerWaalsContact O-N 3.08Å
129P85.1Confident88.1Confident22 Ų2248.8 Ų48.814%0.14325%0.254CS..Hα-helixtrans-51.6-38.2172.2-29.837.7000113.2M132 I133 L235 E238P129-M132 PolarHBondContact O-N 3.4Å; P129-I133 WeakPolarHBondContact O-CG1 3.39Å; P129-I133 PolarHBondContact O-N 3.35Å; P129-I133 VanDerWaalsContact O-N 3.13Å; P129-L235 HydrophobicContact CB-CD1 4.01Å; P129-E238 HydrophobicContact CB-CB 3.78Å; P129-E238 HydrophobicContact CB-CG 3.91Å
130S86.2Confident88.2Confident52 Ų5247.9 Ų47.936%0.36425%0.248SC..Hα-helixtrans-65.6-44.4-179.9-27.60000112.6S128 M132 I133 E238S128-S130 PolarHBondContact O-N 2.78Å; S130-M132 VanDerWaalsContact C-N 3.31Å; S130-M132 PolarHBondContact O-N 3.26Å; S130-I133 WeakPolarHBondContact O-CB 2.97Å; S130-I133 PolarHBondContact O-N 3.39Å; S130-E238 WeakPolarHBondContact CB-OE1 3.33Å; S130-E238 VanDerWaalsContact OG-CD 3.23Å; S130-E238 PolarHBondContact OG-OE1 2.97Å
131E89.1Confident88.5Confident55 Ų5547.2 Ų47.226%0.25725%0.245SC..Hα-helixtrans-65.7-36.3175.1-69.2160.8126.200111.7C125 L126 W127 S128 I133 E134 V135C125-E131 WeakPolarHBondContact CA-OE1 3.39Å; C125-E131 VanDerWaalsContact SG-CB 3.58Å; L126-E131 WeakPolarHBondContact CA-OE2 3.37Å; L126-E131 WeakPolarHBondContact CB-OE2 3.38Å; L126-E131 VanDerWaalsContact N-CD 3.31Å; L126-E131 PolarHBondContact N-OE1 2.9Å; L126-E131 PolarHBondContact N-OE2 3.26Å; L126-E131 VanDerWaalsContact N-OE2 3.11Å; W127-E131 PolarHBondContact N-OE2 3.05Å; S128-E131 VanDerWaalsContact CB-OE2 3.3Å; S128-E131 WeakPolarHBondContact CB-OE2 3.48Å; S128-E131 PolarHBondContact N-OE2 2.87Å; S128-E131 PolarHBondContact O-N 3.02Å; S128-E131 VanDerWaalsContact OG-CD 3.23Å; S128-E131 VanDerWaalsContact OG-CG 3.23Å; S128-E131 WeakPolarHBondContact OG-CG 3.16Å; S128-E131 PolarHBondContact OG-N 2.88Å; S128-E131 PolarHBondContact OG-OE2 3.49Å; E131-I133 PolarHBondContact O-N 3.42Å; E131-E134 PolarHBondContact O-N 2.93Å; E131-V135 WeakPolarHBondContact O-CG2 3.36Å; E131-V135 PolarHBondContact O-N 2.83Å
132M93Very high88.9Confident0 Ų045.4 Ų45.40%023%0.234CC..Hα-helixtrans-65.9-25.7177.2-72.1-60.5-5000112.9W127 S128 P129 S130 V135 D136 L214 A218W127-M132 HydrophobicContact CE3-SD 3.86Å; W127-M132 HydrophobicContact CZ3-SD 4.19Å; S128-M132 WeakPolarHBondContact O-CG 3.25Å; S128-M132 PolarHBondContact O-N 3.22Å; S128-M132 VanDerWaalsContact O-N 3.08Å; P129-M132 PolarHBondContact O-N 3.4Å; S130-M132 VanDerWaalsContact C-N 3.31Å; S130-M132 PolarHBondContact O-N 3.26Å; M132-V135 HydrophobicContact CE-CB 4.47Å; M132-V135 HydrophobicContact CE-CG1 4.45Å; M132-V135 PolarHBondContact O-N 3.18Å; M132-V135 HydrophobicContact SD-CG2 4.31Å; M132-D136 PolarHBondContact O-N 3.13Å; M132-L214 HydrophobicContact CE-CB 3.89Å; M132-A218 HydrophobicContact CG-CB 3.98Å; M132-A218 HydrophobicContact SD-CB 3.99Å
133I92.9Very high89.2Confident7 Ų745 Ų454%0.03623%0.232CC..Hα-helixtrans-65.1-41.3169-65.7166.4000111.6P129 S130 E131 V135 D136 K137 L235 E238 V239 T617P129-I133 WeakPolarHBondContact O-CG1 3.39Å; P129-I133 PolarHBondContact O-N 3.35Å; P129-I133 VanDerWaalsContact O-N 3.13Å; S130-I133 WeakPolarHBondContact O-CB 2.97Å; S130-I133 PolarHBondContact O-N 3.39Å; E131-I133 PolarHBondContact O-N 3.42Å; I133-V135 VanDerWaalsContact C-N 3.34Å; I133-D136 PolarHBondContact O-N 3.13Å; I133-K137 HydrophobicContact CG2-CD 4.19Å; I133-K137 WeakPolarHBondContact O-CG 3.45Å; I133-K137 PolarHBondContact O-N 2.9Å; I133-L235 HydrophobicContact CG1-CD1 4.38Å; I133-E238 HydrophobicContact CD1-CB 4.36Å; I133-E238 HydrophobicContact CD1-CG 3.84Å; I133-V239 HydrophobicContact CD1-CB 4.33Å; I133-V239 HydrophobicContact CD1-CG2 3.63Å; I133-V239 HydrophobicContact CG1-CG2 3.74Å; I133-T617 HydrophobicContact CB-CG2 4.49Å; I133-T617 HydrophobicContact CG1-CG2 3.96Å
134E91.9Very high89.6Confident96 Ų9643.7 Ų43.745%0.44923%0.225SC..Hα-helixtrans-70.3-31177.1-61.1-53.4127.100112.4E131 K137 Y138E131-E134 PolarHBondContact O-N 2.93Å; E134-K137 WeakPolarHBondContact OE1-CD 3.21Å; E134-K137 WeakPolarHBondContact OE1-CE 3.35Å; E134-K137 IonicContact OE1-NZ 2.82Å; E134-K137 PolarHBondContact OE1-NZ 3Å; E134-K137 IonicContact OE2-NZ 3.94Å; E134-Y138 WeakPolarHBondContact O-CB 3.3Å; E134-Y138 PolarHBondContact O-N 2.95Å
135V94.4Very high90.4Very high1 Ų141.2 Ų41.21%0.00621%0.209CC..Hα-helixtrans-62.1-49.5171.91750000111.2V118 L121 L122 E131 M132 I133 Y138 I139 L214V118-V135 HydrophobicContact CG1-CG1 4.27Å; L121-V135 HydrophobicContact CD2-CB 4.35Å; L121-V135 HydrophobicContact CD2-CG2 3.8Å; L121-V135 HydrophobicContact CG-CG2 4.33Å; L122-V135 HydrophobicContact CD2-CG2 3.95Å; E131-V135 WeakPolarHBondContact O-CG2 3.36Å; E131-V135 PolarHBondContact O-N 2.83Å; M132-V135 HydrophobicContact CE-CB 4.47Å; M132-V135 HydrophobicContact CE-CG1 4.45Å; M132-V135 PolarHBondContact O-N 3.18Å; M132-V135 HydrophobicContact SD-CG2 4.31Å; I133-V135 VanDerWaalsContact C-N 3.34Å; V135-Y138 WeakPolarHBondContact O-CB 3.3Å; V135-Y138 PolarHBondContact O-N 3.03Å; V135-I139 HydrophobicContact CG1-CD1 4.1Å; V135-I139 WeakPolarHBondContact O-CG1 3.35Å; V135-I139 PolarHBondContact O-N 2.91Å; V135-L214 HydrophobicContact CG1-CD1 3.85Å
136D95.9Very high91.1Very high1 Ų141.9 Ų41.91%0.00521%0.209CC..Hα-helixtrans-64.8-41.6177.2-98.37.4000111.6M132 I133 Y138 I139 R140 S211 H215 L615 I616 T617M132-D136 PolarHBondContact O-N 3.13Å; I133-D136 PolarHBondContact O-N 3.13Å; D136-Y138 VanDerWaalsContact C-N 3.27Å; D136-Y138 PolarHBondContact O-N 3.05Å; D136-I139 PolarHBondContact O-N 3.49Å; D136-I139 VanDerWaalsContact O-N 3.16Å; D136-R140 PolarHBondContact O-N 2.87Å; D136-S211 VanDerWaalsContact CG-OG 3.3Å; D136-S211 VanDerWaalsContact OD1-CB 3.25Å; D136-S211 WeakPolarHBondContact OD1-CB 3.16Å; D136-S211 PolarHBondContact OD1-OG 2.83Å; D136-S211 PolarHBondContact OD2-OG 3.2Å; D136-H215 IonicContact OD1-NE2 2.74Å; D136-H215 IonicContact OD2-NE2 3.65Å; D136-H215 PolarHBondContact OD2-NE2 2.82Å; D136-L615 HydrophobicContact CB-CB 4.43Å; D136-L615 WeakPolarHBondContact O-CD1 3.35Å; D136-L615 WeakPolarHBondContact OD2-CB 3.48Å; D136-I616 PolarHBondContact OD2-N 3.33Å; D136-T617 HydrophobicContact CB-CG2 3.96Å; D136-T617 VanDerWaalsContact CB-OG1 3.22Å; D136-T617 WeakPolarHBondContact CB-OG1 3.41Å; D136-T617 WeakPolarHBondContact OD2-CG2 3.36Å; D136-T617 PolarHBondContact OD2-N 3.32Å; D136-T617 PolarHBondContact OD2-OG1 3.33Å
137K93.9Very high91.4Very high76 Ų7637.2 Ų37.233%0.3318%0.182SC..Hα-helixtrans-56.9-40.4172.5-75.1171.1-178.51720112I133 E134 R140 N141I133-K137 HydrophobicContact CG2-CD 4.19Å; I133-K137 WeakPolarHBondContact O-CG 3.45Å; I133-K137 PolarHBondContact O-N 2.9Å; E134-K137 WeakPolarHBondContact OE1-CD 3.21Å; E134-K137 WeakPolarHBondContact OE1-CE 3.35Å; E134-K137 IonicContact OE1-NZ 2.82Å; E134-K137 PolarHBondContact OE1-NZ 3Å; E134-K137 IonicContact OE2-NZ 3.94Å; K137-R140 PolarHBondContact O-N 3Å; K137-N141 VanDerWaalsContact O-CG 3.31Å; K137-N141 PolarHBondContact O-N 3.23Å; K137-N141 PolarHBondContact O-ND2 3.13Å
138Y94.7Very high91.7Very high85 Ų8542.1 Ų42.133%0.33320%0.203SC..Hα-helixtrans-63.4-47.5175.3-174.4-85.2000111.5S117 V118 E134 V135 D136 R140 N141 F142S117-Y138 WeakPolarHBondContact CB-OH 3.3Å; S117-Y138 PolarHBondContact OG-OH 2.97Å; V118-Y138 HydrophobicContact CG2-CD1 3.79Å; V118-Y138 HydrophobicContact CG2-CE1 4.14Å; E134-Y138 WeakPolarHBondContact O-CB 3.3Å; E134-Y138 PolarHBondContact O-N 2.95Å; V135-Y138 WeakPolarHBondContact O-CB 3.3Å; V135-Y138 PolarHBondContact O-N 3.03Å; D136-Y138 VanDerWaalsContact C-N 3.27Å; D136-Y138 PolarHBondContact O-N 3.05Å; Y138-R140 VanDerWaalsContact C-N 3.33Å; Y138-R140 PolarHBondContact O-N 3.32Å; Y138-N141 PolarHBondContact O-N 3.43Å; Y138-F142 HydrophobicContact CE1-CB 4.48Å; Y138-F142 PolarHBondContact O-N 3.35Å
139I96.6Very high91.8Very high0 Ų046 Ų460%022%0.217CC..Hα-helixtrans-59.8-42.3177.6-67168000111V118 V135 D136 F142 Y143 L207 L210 L214 L615V118-I139 HydrophobicContact CG2-CG1 4.12Å; V135-I139 HydrophobicContact CG1-CD1 4.1Å; V135-I139 WeakPolarHBondContact O-CG1 3.35Å; V135-I139 PolarHBondContact O-N 2.91Å; D136-I139 PolarHBondContact O-N 3.49Å; D136-I139 VanDerWaalsContact O-N 3.16Å; I139-F142 PolarHBondContact O-N 2.98Å; I139-Y143 WeakPolarHBondContact O-CB 3.32Å; I139-Y143 PolarHBondContact O-N 2.87Å; I139-L207 HydrophobicContact CG2-CB 3.85Å; I139-L207 HydrophobicContact CG2-CD1 4.35Å; I139-L207 HydrophobicContact CG2-CD2 4.17Å; I139-L207 HydrophobicContact CG2-CG 4.33Å; I139-L210 HydrophobicContact CD1-CD2 4.08Å; I139-L210 HydrophobicContact CD1-CG 4.18Å; I139-L210 HydrophobicContact CG1-CD2 4.37Å; I139-L214 HydrophobicContact CD1-CD1 4.39Å; I139-L615 HydrophobicContact CB-CD1 4.42Å; I139-L615 HydrophobicContact CB-CD2 4.35Å; I139-L615 HydrophobicContact CG2-CD1 4.25Å; I139-L615 HydrophobicContact CG2-CD2 3.59Å
140R94.9Very high91.7Very high8 Ų847 Ų473%0.0322%0.219CC..Hα-helixtrans-59.1-47.4174175.349.965.6-170.3-6.9111.8D136 K137 Y138 Y143 N144 Y489 D612 C613 L615 E618D136-R140 PolarHBondContact O-N 2.87Å; K137-R140 PolarHBondContact O-N 3Å; Y138-R140 VanDerWaalsContact C-N 3.33Å; Y138-R140 PolarHBondContact O-N 3.32Å; R140-Y143 PolarHBondContact O-N 2.9Å; R140-N144 WeakPolarHBondContact CD-ND2 3.2Å; R140-N144 WeakPolarHBondContact CD-OD1 3.16Å; R140-N144 WeakPolarHBondContact O-CB 3.2Å; R140-N144 PolarHBondContact O-N 3Å; R140-N144 PolarHBondContact O-ND2 2.86Å; R140-Y489 VanDerWaalsContact CD-CE2 3.45Å; R140-Y489 HydrophobicContact CG-CD2 4.22Å; R140-Y489 HydrophobicContact CG-CE2 3.72Å; R140-Y489 VanDerWaalsContact CZ-CG 3.48Å; R140-Y489 VanDerWaalsContact NE-CD2 3.33Å; R140-D612 IonicContact CZ-OD1 2.69Å; R140-D612 IonicContact NH1-OD1 2.83Å; R140-D612 PolarHBondContact NH1-OD1 3.1Å; R140-D612 IonicContact NH1-OD2 3.99Å; R140-D612 IonicContact NH2-OD1 3.69Å; R140-D612 PolarHBondContact NH2-OD1 3.08Å; R140-C613 PolarHBondContact NH2-O 3.24Å; R140-C613 PolarHBondContact NH2-SG 3.29Å; R140-C613 VanDerWaalsContact NH2-SG 3.39Å; R140-L615 HydrophobicContact CB-CD1 3.64Å; R140-E618 WeakPolarHBondContact CG-OE1 3.47Å; R140-E618 IonicContact CZ-OE1 2.75Å; R140-E618 IonicContact CZ-OE2 3.75Å; R140-E618 IonicContact NE-OE1 3.8Å; R140-E618 PolarHBondContact NE-OE1 2.86Å; R140-E618 IonicContact NE-OE2 2.64Å; R140-E618 PolarHBondContact NE-OE2 3.14Å; R140-E618 IonicContact NH2-OE1 3.84Å; R140-E618 IonicContact NH2-OE2 3.49Å; R140-E618 PolarHBondContact NH2-OE2 3.19Å
141N95.5Very high91.5Very high99 Ų9947.3 Ų47.353%0.52922%0.217SC..Hα-helixtrans-63.3-44.7179.7-73.8-29.4000111.8K137 Y138 Y143 N144 E145K137-N141 VanDerWaalsContact O-CG 3.31Å; K137-N141 PolarHBondContact O-N 3.23Å; K137-N141 PolarHBondContact O-ND2 3.13Å; Y138-N141 PolarHBondContact O-N 3.43Å; N141-Y143 PolarHBondContact O-N 2.99Å; N141-N144 PolarHBondContact O-N 3.19Å; N141-E145 PolarHBondContact O-N 3.37Å; N141-E145 VanDerWaalsContact O-N 3.1Å
142F95.7Very high91.3Very high36 Ų3648.5 Ų48.516%0.15823%0.228CC..Hα-helixtrans-56.8-49.7173.6178.1-85.5000111.6E110 V113 C114 Y138 I139 N144 E145 Y146 I203 L207E110-F142 HydrophobicContact CB-CZ 4.49Å; E110-F142 WeakPolarHBondContact O-CZ 3.41Å; V113-F142 HydrophobicContact CG1-CE2 4.27Å; C114-F142 HydrophobicContact CB-CD1 3.77Å; C114-F142 HydrophobicContact CB-CD2 3.99Å; C114-F142 HydrophobicContact CB-CE1 3.67Å; C114-F142 HydrophobicContact CB-CE2 3.88Å; C114-F142 HydrophobicContact CB-CG 3.96Å; C114-F142 HydrophobicContact CB-CZ 3.74Å; Y138-F142 HydrophobicContact CE1-CB 4.48Å; Y138-F142 PolarHBondContact O-N 3.35Å; I139-F142 PolarHBondContact O-N 2.98Å; F142-N144 PolarHBondContact O-N 2.84Å; F142-E145 PolarHBondContact O-N 3.34Å; F142-Y146 PolarHBondContact O-N 2.87Å; F142-I203 HydrophobicContact CE1-CD1 3.89Å; F142-I203 HydrophobicContact CZ-CD1 4.48Å; F142-L207 HydrophobicContact CD1-CD1 3.96Å; F142-L207 HydrophobicContact CD1-CD2 4.47Å; F142-L207 HydrophobicContact CE1-CD1 4.36Å
143Y93.8Very high90.6Very high0 Ų054.1 Ų54.10%026%0.256CS..Hα-helixtrans-62.5-41.2179.5179.4-106.8000112.6I139 R140 N141 E145 Y146 R147 P201 I203 A204 L207 D612 C613I139-Y143 WeakPolarHBondContact O-CB 3.32Å; I139-Y143 PolarHBondContact O-N 2.87Å; R140-Y143 PolarHBondContact O-N 2.9Å; N141-Y143 PolarHBondContact O-N 2.99Å; Y143-E145 PolarHBondContact O-N 3.36Å; Y143-Y146 PolarHBondContact O-N 3.43Å; Y143-R147 HydrophobicContact CE1-CB 4.48Å; Y143-R147 VanDerWaalsContact O-CB 3.29Å; Y143-R147 WeakPolarHBondContact O-CB 3.32Å; Y143-R147 PolarHBondContact O-N 2.98Å; Y143-P201 HydrophobicContact CE2-CG 4.1Å; Y143-I203 HydrophobicContact CD2-CG2 4.46Å; Y143-I203 HydrophobicContact CE2-CG2 4.41Å; Y143-A204 HydrophobicContact CE2-CB 3.72Å; Y143-L207 HydrophobicContact CD2-CD1 3.87Å; Y143-L207 HydrophobicContact CG-CD1 4.21Å; Y143-D612 WeakPolarHBondContact CE1-OD1 2.93Å; Y143-C613 VanDerWaalsContact CD1-SG 3.59Å
144N92.3Very high89.8Confident27 Ų2757.6 Ų57.614%0.14427%0.272CS..Hα-helixtrans-61.7-42.2178.1-75-16.2000111.7R140 N141 F142 K148 Y489R140-N144 WeakPolarHBondContact CD-ND2 3.2Å; R140-N144 WeakPolarHBondContact CD-OD1 3.16Å; R140-N144 WeakPolarHBondContact O-CB 3.2Å; R140-N144 PolarHBondContact O-N 3Å; R140-N144 PolarHBondContact O-ND2 2.86Å; N141-N144 PolarHBondContact O-N 3.19Å; F142-N144 PolarHBondContact O-N 2.84Å; N144-K148 VanDerWaalsContact O-CG 3.3Å; N144-K148 WeakPolarHBondContact O-CG 3.4Å; N144-K148 PolarHBondContact O-N 2.55Å; N144-K148 VanDerWaalsContact O-N 3.14Å; N144-Y489 PolarHBondContact ND2-OH 3.09Å; N144-Y489 VanDerWaalsContact ND2-OH 3.08Å
145E91.8Very high89Confident94 Ų9456.6 Ų56.644%0.43927%0.272SS..Hα-helixtrans-67.3-42.8174.9-68.4-50.2127.400112.3N141 F142 Y143 R147 K148 Q149N141-E145 PolarHBondContact O-N 3.37Å; N141-E145 VanDerWaalsContact O-N 3.1Å; F142-E145 PolarHBondContact O-N 3.34Å; Y143-E145 PolarHBondContact O-N 3.36Å; E145-R147 PolarHBondContact O-N 2.89Å; E145-K148 PolarHBondContact O-N 3.01Å; E145-K148 IonicContact OE1-NZ 2.73Å; E145-K148 PolarHBondContact OE1-NZ 2.68Å; E145-K148 IonicContact OE2-NZ 3.22Å; E145-Q149 WeakPolarHBondContact O-CG 3.24Å; E145-Q149 PolarHBondContact O-N 2.83Å
146Y90.6Very high88.1Confident33 Ų3359.3 Ų59.313%0.12929%0.287CS..Hα-helixtrans-58.3-46.8173.9-176.3-85.9000111.7E110 F142 Y143 K148 Q149 F150 P201 I203E110-Y146 HydrophobicContact CB-CD2 4.02Å; E110-Y146 HydrophobicContact CB-CE2 3.75Å; E110-Y146 HydrophobicContact CG-CD2 4.18Å; E110-Y146 HydrophobicContact CG-CE2 3.72Å; E110-Y146 WeakPolarHBondContact OE1-CE2 3.34Å; F142-Y146 PolarHBondContact O-N 2.87Å; Y143-Y146 PolarHBondContact O-N 3.43Å; Y146-K148 VanDerWaalsContact C-N 3.33Å; Y146-K148 PolarHBondContact O-N 2.98Å; Y146-Q149 PolarHBondContact O-N 2.65Å; Y146-Q149 VanDerWaalsContact O-N 3.14Å; Y146-F150 HydrophobicContact CD1-CB 4.35Å; Y146-F150 HydrophobicContact CE1-CB 4.04Å; Y146-F150 HydrophobicContact CE1-CD2 4.32Å; Y146-F150 HydrophobicContact CE1-CG 4.3Å; Y146-F150 WeakPolarHBondContact O-CB 3.22Å; Y146-F150 PolarHBondContact O-N 3.42Å; Y146-P201 HydrophobicContact CD1-CB 4.49Å; Y146-P201 HydrophobicContact CD1-CG 3.96Å; Y146-P201 HydrophobicContact CE1-CB 3.73Å; Y146-P201 HydrophobicContact CE1-CG 3.69Å; Y146-I203 HydrophobicContact CD1-CG2 3.64Å; Y146-I203 HydrophobicContact CD2-CD1 4.41Å; Y146-I203 HydrophobicContact CE1-CG2 3.54Å; Y146-I203 HydrophobicContact CE2-CD1 4.46Å; Y146-I203 HydrophobicContact CG-CG2 4.27Å
147R85.2Confident87Confident38 Ų3862.9 Ų62.914%0.14330%0.304CS..Hα-helixtrans-63-36.7-178.9-167.1178-172.3169.15.9112.3Y143 E145 N151 L611 D612Y143-R147 HydrophobicContact CE1-CB 4.48Å; Y143-R147 VanDerWaalsContact O-CB 3.29Å; Y143-R147 WeakPolarHBondContact O-CB 3.32Å; Y143-R147 PolarHBondContact O-N 2.98Å; E145-R147 PolarHBondContact O-N 2.89Å; R147-N151 WeakPolarHBondContact O-CB 3.43Å; R147-N151 PolarHBondContact O-N 2.95Å; R147-N151 PolarHBondContact O-ND2 2.9Å; R147-L611 PolarHBondContact NH1-O 2.89Å; R147-L611 PolarHBondContact NH2-O 3.06Å; R147-D612 IonicContact NH1-OD1 2.74Å; R147-D612 IonicContact NH1-OD2 2.66Å; R147-D612 PolarHBondContact NH1-OD2 3.34Å
148K88Confident85.8Confident116 Ų11662.5 Ų62.550%0.50431%0.31SS..Hα-helixtrans-61.1-46.6172-71.3167.3-172.3174.20111.7N144 E145 Y146 T152N144-K148 VanDerWaalsContact O-CG 3.3Å; N144-K148 WeakPolarHBondContact O-CG 3.4Å; N144-K148 PolarHBondContact O-N 2.55Å; N144-K148 VanDerWaalsContact O-N 3.14Å; E145-K148 PolarHBondContact O-N 3.01Å; E145-K148 IonicContact OE1-NZ 2.73Å; E145-K148 PolarHBondContact OE1-NZ 2.68Å; E145-K148 IonicContact OE2-NZ 3.22Å; Y146-K148 VanDerWaalsContact C-N 3.33Å; Y146-K148 PolarHBondContact O-N 2.98Å; K148-T152 PolarHBondContact O-N 2.99Å; K148-T152 VanDerWaalsContact O-N 3.12Å; K148-T152 PolarHBondContact O-OG1 3.23Å
149Q86.8Confident84.7Confident121 Ų12163 Ų6357%0.56531%0.314SS*.Hα-helixtrans-64.7-49178.9-65.6173.539.100111E145 Y146 N151 T152 M153E145-Q149 WeakPolarHBondContact O-CG 3.24Å; E145-Q149 PolarHBondContact O-N 2.83Å; Y146-Q149 PolarHBondContact O-N 2.65Å; Y146-Q149 VanDerWaalsContact O-N 3.14Å; Q149-N151 PolarHBondContact O-N 3.33Å; Q149-T152 WeakPolarHBondContact O-CB 3.5Å; Q149-T152 PolarHBondContact O-N 2.74Å; Q149-T152 VanDerWaalsContact O-N 3.08Å; Q149-M153 WeakPolarHBondContact O-CG 3.25Å; Q149-M153 PolarHBondContact O-N 2.94Å
150F83.4Confident83.1Confident41 Ų4170.4 Ų70.418%0.1834%0.342CS..Hα-helixtrans-57-44.3178.2-176.9-107.8000113Y146 T152 M153 Q154 P201Y146-F150 HydrophobicContact CD1-CB 4.35Å; Y146-F150 HydrophobicContact CE1-CB 4.04Å; Y146-F150 HydrophobicContact CE1-CD2 4.32Å; Y146-F150 HydrophobicContact CE1-CG 4.3Å; Y146-F150 WeakPolarHBondContact O-CB 3.22Å; Y146-F150 PolarHBondContact O-N 3.42Å; F150-T152 VanDerWaalsContact C-N 3.34Å; F150-T152 PolarHBondContact O-N 3.11Å; F150-M153 PolarHBondContact O-N 2.74Å; F150-Q154 PolarHBondContact O-N 3.19Å; F150-P201 HydrophobicContact CD1-CB 3.98Å; F150-P201 HydrophobicContact CD1-CG 4.1Å; F150-P201 HydrophobicContact CD2-CB 4.22Å; F150-P201 HydrophobicContact CE1-CB 3.82Å; F150-P201 HydrophobicContact CE1-CG 4.31Å; F150-P201 HydrophobicContact CE2-CB 4.1Å; F150-P201 HydrophobicContact CG-CB 4.17Å; F150-P201 HydrophobicContact CG-CG 4.41Å; F150-P201 HydrophobicContact CZ-CB 3.9Å
151N81.9Confident81.4Confident59 Ų5976.5 Ų76.532%0.31637%0.371SS..Hα-helixtrans-66.3-35.4176.3-72.7-8.8000112.6R147 Q149 T155R147-N151 WeakPolarHBondContact O-CB 3.43Å; R147-N151 PolarHBondContact O-N 2.95Å; R147-N151 PolarHBondContact O-ND2 2.9Å; Q149-N151 PolarHBondContact O-N 3.33Å; N151-T155 WeakPolarHBondContact O-CB 3.38Å; N151-T155 PolarHBondContact O-N 3.31Å; N151-T155 VanDerWaalsContact O-N 3.12Å; N151-T155 PolarHBondContact O-OG1 3.07Å
152T83.3Confident79.4Confident80 Ų8077.8 Ų77.849%0.49138%0.377SS..Hα-helixtrans-64.9-46.9174.8-54.20000110.4K148 Q149 F150 Q154 T155 D156K148-T152 PolarHBondContact O-N 2.99Å; K148-T152 VanDerWaalsContact O-N 3.12Å; K148-T152 PolarHBondContact O-OG1 3.23Å; Q149-T152 WeakPolarHBondContact O-CB 3.5Å; Q149-T152 PolarHBondContact O-N 2.74Å; Q149-T152 VanDerWaalsContact O-N 3.08Å; F150-T152 VanDerWaalsContact C-N 3.34Å; F150-T152 PolarHBondContact O-N 3.11Å; T152-Q154 PolarHBondContact O-N 2.85Å; T152-T155 WeakPolarHBondContact O-CB 3.47Å; T152-T155 PolarHBondContact O-N 3.47Å; T152-T155 VanDerWaalsContact O-N 3.16Å; T152-D156 PolarHBondContact O-N 2.7Å; T152-D156 VanDerWaalsContact O-N 3.07Å
153M80.2Confident77.4Confident119 Ų11982.3 Ų82.359%0.58640%0.399SS*.Hα-helixtrans-59.5-47178.1-67.8174.772.300112.5Q149 F150 T155 D156 E157Q149-M153 WeakPolarHBondContact O-CG 3.25Å; Q149-M153 PolarHBondContact O-N 2.94Å; F150-M153 PolarHBondContact O-N 2.74Å; M153-T155 VanDerWaalsContact C-N 3.29Å; M153-T155 PolarHBondContact O-N 3.17Å; M153-D156 PolarHBondContact O-N 2.82Å; M153-E157 PolarHBondContact O-N 3.3Å
154Q74.8Confident75.3Confident80 Ų8086.6 Ų86.637%0.37442%0.422SS..Hα-helixtrans-60.6-37.7175.7-75.1-171.39000112.8F150 T152 D156 E157 S158F150-Q154 PolarHBondContact O-N 3.19Å; T152-Q154 PolarHBondContact O-N 2.85Å; Q154-D156 VanDerWaalsContact C-N 3.3Å; Q154-D156 PolarHBondContact O-N 3.04Å; Q154-E157 PolarHBondContact O-N 2.84Å; Q154-S158 WeakPolarHBondContact O-CB 3.17Å; Q154-S158 PolarHBondContact O-N 3.14Å; Q154-S158 PolarHBondContact O-OG 2.82Å
155T75.9Confident73.3Confident74 Ų7491.4 Ų91.445%0.45445%0.446SS..Hα-helixtrans-64.9-36.8178.1-57.40000111.3N151 T152 M153 K159N151-T155 WeakPolarHBondContact O-CB 3.38Å; N151-T155 PolarHBondContact O-N 3.31Å; N151-T155 VanDerWaalsContact O-N 3.12Å; N151-T155 PolarHBondContact O-OG1 3.07Å; T152-T155 WeakPolarHBondContact O-CB 3.47Å; T152-T155 PolarHBondContact O-N 3.47Å; T152-T155 VanDerWaalsContact O-N 3.16Å; M153-T155 VanDerWaalsContact C-N 3.29Å; M153-T155 PolarHBondContact O-N 3.17Å; T155-K159 WeakPolarHBondContact O-CG 3.14Å; T155-K159 PolarHBondContact O-N 3.41Å
156D75.2Confident70.8Confident59 Ų5992 Ų9232%0.31646%0.459SS..Hα-helixtrans-85.5-23.7179.7-68-20.4000113.9T152 M153 Q154 K159 R160T152-D156 PolarHBondContact O-N 2.7Å; T152-D156 VanDerWaalsContact O-N 3.07Å; M153-D156 PolarHBondContact O-N 2.82Å; Q154-D156 VanDerWaalsContact C-N 3.3Å; Q154-D156 PolarHBondContact O-N 3.04Å; D156-K159 IonicContact OD1-NZ 2.7Å; D156-K159 PolarHBondContact OD1-NZ 2.88Å; D156-R160 PolarHBondContact O-N 3.48Å; D156-R160 PolarHBondContact O-NE 3.36Å
157E71.5Confident68.6Low76 Ų7694.7 Ų94.736%0.35548%0.483SS..Hα-helixtrans-62.5-51.4162.1-74.1-174.5170.700110K105 M153 Q154 K159 R160 E161K105-E157 IonicContact NZ-OE1 2.72Å; K105-E157 IonicContact NZ-OE2 3.84Å; K105-E157 PolarHBondContact NZ-OE2 2.85Å; M153-E157 PolarHBondContact O-N 3.3Å; Q154-E157 PolarHBondContact O-N 2.84Å; E157-K159 VanDerWaalsContact C-N 3.3Å; E157-K159 PolarHBondContact O-N 2.91Å; E157-R160 PolarHBondContact O-N 3.31Å; E157-E161 PolarHBondContact O-N 3.16Å; E157-E161 VanDerWaalsContact O-N 3.09Å
158S70.2Confident66.2Low67 Ų6799.8 Ų99.847%0.46951%0.507SS..Hα-helixtrans-58.1-37.7-177.8-55.50000113.4Q154 L162Q154-S158 WeakPolarHBondContact O-CB 3.17Å; Q154-S158 PolarHBondContact O-N 3.14Å; Q154-S158 PolarHBondContact O-OG 2.82Å; S158-L162 WeakPolarHBondContact O-CG 3.47Å; S158-L162 PolarHBondContact O-N 3.39Å
159K70.3Confident63.3Low95 Ų95103.3 Ų103.341%0.41353%0.525SS..Hα-helixtrans-64.8-43.9174.6-71.3167-166156.20112.2T155 D156 E157 L162 E163T155-K159 WeakPolarHBondContact O-CG 3.14Å; T155-K159 PolarHBondContact O-N 3.41Å; D156-K159 IonicContact OD1-NZ 2.7Å; D156-K159 PolarHBondContact OD1-NZ 2.88Å; E157-K159 VanDerWaalsContact C-N 3.3Å; E157-K159 PolarHBondContact O-N 2.91Å; K159-L162 PolarHBondContact O-N 3.45Å; K159-E163 PolarHBondContact O-N 2.93Å
160R63.9Low60.5Low156 Ų156104.1 Ų104.159%0.58954%0.538SS*.Hα-helixtrans-67.7-36.2-177.6-78.1177.8-79.7-165.7-1.7112.5D156 E157 L162 E163 D164D156-R160 PolarHBondContact O-N 3.48Å; D156-R160 PolarHBondContact O-NE 3.36Å; E157-R160 PolarHBondContact O-N 3.31Å; R160-L162 VanDerWaalsContact C-N 3.35Å; R160-E163 PolarHBondContact O-N 2.82Å; R160-D164 PolarHBondContact O-N 2.94Å; R160-D164 VanDerWaalsContact O-N 3.12Å
161E58.4Low57.8Low136 Ų136107.3 Ų107.364%0.63656%0.562SS**Hα-helixtrans-64.2-38.5173.9-68.8-173.6170.900112.4E157 D164 I165E157-E161 PolarHBondContact O-N 3.16Å; E157-E161 VanDerWaalsContact O-N 3.09Å; E161-D164 PolarHBondContact O-N 2.99Å; E161-I165 WeakPolarHBondContact O-CD1 3.35Å; E161-I165 VanDerWaalsContact O-CG1 3.3Å; E161-I165 WeakPolarHBondContact O-CG1 3.44Å; E161-I165 PolarHBondContact O-N 3.45Å
162L55Low55.1Low126 Ų126111.4 Ų111.466%0.6658%0.583SS**Hα-helixtrans-65.8-36175.9-70.5167.6000112.7S158 K159 R160 C166S158-L162 WeakPolarHBondContact O-CG 3.47Å; S158-L162 PolarHBondContact O-N 3.39Å; K159-L162 PolarHBondContact O-N 3.45Å; R160-L162 VanDerWaalsContact C-N 3.35Å; L162-C166 PolarHBondContact O-N 2.86Å
163E53.5Low52.2Low131 Ų131115.8 Ų115.861%0.61260%0.596SS**Hα-helixtrans-69-39.9176.3-70.7172.4179.200112.4K159 R160 C166 S167K159-E163 PolarHBondContact O-N 2.93Å; R160-E163 PolarHBondContact O-N 2.82Å; E163-C166 PolarHBondContact O-N 3.09Å; E163-S167 PolarHBondContact O-OG 3.3Å
164D49.3Very low49.3Very low91 Ų91115.4 Ų115.449%0.48761%0.605SS.*Hα-helixtrans-73-29.2-179.3-162.352.3000112.9R160 E161 C166 S167 K168R160-D164 PolarHBondContact O-N 2.94Å; R160-D164 VanDerWaalsContact O-N 3.12Å; E161-D164 PolarHBondContact O-N 2.99Å; D164-C166 VanDerWaalsContact C-N 3.34Å; D164-S167 PolarHBondContact O-N 3.3Å; D164-K168 IonicContact OD1-NZ 3.45Å; D164-K168 IonicContact OD2-NZ 2.88Å; D164-K168 PolarHBondContact OD2-NZ 2.79Å
165I50.9Low46.9Very low128 Ų128118.5 Ų118.566%0.65663%0.629SS**Hα-helixtrans-66.5-36.1172.5-67.9165.3000111.3E161 S167E161-I165 WeakPolarHBondContact O-CD1 3.35Å; E161-I165 VanDerWaalsContact O-CG1 3.3Å; E161-I165 WeakPolarHBondContact O-CG1 3.44Å; E161-I165 PolarHBondContact O-N 3.45Å; I165-S167 PolarHBondContact O-N 3.34Å; I165-S167 VanDerWaalsContact O-N 3.16Å
166C39.1Very low44.5Very low105 Ų105121.5 Ų121.571%0.70965%0.648SS**THydrogen-bonded Turntrans-66-15.2178.7-164.10000113.2L162 E163 D164L162-C166 PolarHBondContact O-N 2.86Å; E163-C166 PolarHBondContact O-N 3.09Å; D164-C166 VanDerWaalsContact C-N 3.34Å
167S43.1Very low42.5Very low91 Ų91124.3 Ų124.364%0.63667%0.669SS**THydrogen-bonded Turntrans-94.22.9-171.1-60.50000114.9E163 D164 I165E163-S167 PolarHBondContact O-OG 3.3Å; D164-S167 PolarHBondContact O-N 3.3Å; I165-S167 PolarHBondContact O-N 3.34Å; I165-S167 VanDerWaalsContact O-N 3.16Å
168K35.1Very low40.1Very low145 Ų145129.5 Ų129.563%0.6369%0.693SS**  trans-123.669.8-173.7-70.8168.1-174.4136.80112.9D164 V170D164-K168 IonicContact OD1-NZ 3.45Å; D164-K168 IonicContact OD2-NZ 2.88Å; D164-K168 PolarHBondContact OD2-NZ 2.79Å; K168-V170 PolarHBondContact O-N 3.26Å
169E26.4Very low37.8Very low190 Ų190133.6 Ų133.689%0.88871%0.71SS**  trans-72.3112.8170.8-66.7-167.2151.800111.9
170V28.4Very low35.8Very low138 Ų138134.2 Ų134.284%0.83673%0.733SS**  trans-120.9117.9163.7-179.50000108.8K168K168-V170 PolarHBondContact O-N 3.26Å
171P27.7Very low33.7Very low107 Ų107135.6 Ų135.670%0.69574%0.743SS**  trans-87.7142.5-172.833.1-34.3000112.5
172L24.3Very low31.8Very low145 Ų145138 Ų13876%0.75975%0.751SS**  -175.5127.7127.4-119.678.7000115.1
173K22.3Very low30.1Very low173 Ų173141.5 Ų141.575%0.75276%0.761SS**  trans50.492.2137.2-67.6175.6-170.1177.70121.4
174S20.6Very low28.8Very low111 Ų111140.6 Ų140.678%0.77677%0.769SS**  10.8125124.761.60000120.3
175T24.7Very low27.6Very low145 Ų145143 Ų14389%0.8979%0.788SS**  trans-131.8155.8147.3370000110.7
176T23.6Very low26.3Very low136 Ų136145.6 Ų145.683%0.83479%0.794SS**  trans-100.7162.2-155.132.40000115.2
177P33.4Very low25.7Very low118 Ų118147.9 Ų147.977%0.76680%0.8SS**  trans-95.7150.7-166.936.8-35.2000114.3
178Q22.4Very low24.9Very low186 Ų186149.6 Ų149.687%0.86981%0.806SS**  trans-140.5107.8163.4-71-163.8-4.800114.1
179N21.3Very low24.5Very low153 Ų153148 Ų14882%0.81881%0.808SS**  trans34.8110.8135-66.5-37.5000120.8
180A28Very low24.4Very low108 Ų108144.7 Ų144.789%0.89380%0.801SS**  trans-134.1147.1140.100000110
181K19.9Very low24.6Very low184 Ų184143.2 Ų143.280%0.879%0.788SS**  trans-112.9147.6-161.1-82.4172.9176.11670114.1
182K20Very low24.6Very low187 Ų187144.6 Ų144.681%0.81379%0.788SS**  trans73.6111.1146.2-77.4179.5175.4-175.90120.7
183K18.8Very low24.8Very low199 Ų199143 Ų14387%0.86579%0.786SS**  55.5111.5125.7-71.9-168.9169.7-167.70119.9
184S25.4Very low25.8Very low112 Ų112138.7 Ų138.778%0.78377%0.771SS**  -144120.1113.858.70000110.2K186S184-K186 PolarHBondContact O-N 3.09Å
185T24Very low26.9Very low142 Ų142139.7 Ų139.787%0.87176%0.764SS**  trans-79.4107170.541.90000109.2
186K24.7Very low28.1Very low182 Ų182141.1 Ų141.179%0.79177%0.765SS**  trans-124.1152.5155.9-80.3-170.5171.2-171.30107.4S184 V188S184-K186 PolarHBondContact O-N 3.09Å; K186-V188 PolarHBondContact O-N 2.78Å
187D26.4Very low29.7Very low154 Ų154137.2 Ų137.282%0.82474%0.738SS**  trans-55.3125.7-161.9-55.8-76000112.6V189D187-V189 PolarHBondContact O-N 2.9Å
188V25.4Very low31.4Very low126 Ų126134.3 Ų134.376%0.76472%0.721SS**  trans-76.183.9173.3-176.50000107.1K186 T190K186-V188 PolarHBondContact O-N 2.78Å; V188-T190 VanDerWaalsContact C-N 3.31Å; V188-T190 HydrophobicContact CG1-CG2 4.08Å; V188-T190 PolarHBondContact O-N 3.49Å
189V26.4Very low33.9Very low113 Ų113127 Ų12769%0.68569%0.688SS**  trans-63.3102.1157.7-179.20000105.7D187 L191D187-V189 PolarHBondContact O-N 2.9Å; V189-L191 VanDerWaalsContact C-N 3.26Å; V189-L191 PolarHBondContact O-N 3.06Å
190T24.3Very low36.6Very low120 Ų120119.7 Ų119.774%0.73665%0.649SS**  trans-66.587.3175320000109.1V188 I192V188-T190 VanDerWaalsContact C-N 3.31Å; V188-T190 HydrophobicContact CG1-CG2 4.08Å; V188-T190 PolarHBondContact O-N 3.49Å; T190-I192 PolarHBondContact O-N 3.13Å
191L32.5Very low39.3Very low107 Ų107114.7 Ų114.756%0.5661%0.607SS**PPolyproline II helixtrans-64.6124.7173.5-85.5155.2000109.4V189V189-L191 VanDerWaalsContact C-N 3.26Å; V189-L191 PolarHBondContact O-N 3.06Å
192I27.9Very low42.3Very low135 Ų135106.7 Ų106.769%0.69257%0.573SS**PPolyproline II helixtrans-62.4125.6176.2-60.6166000106.8T190T190-I192 PolarHBondContact O-N 3.13Å
193P29.6Very low45.5Very low112 Ų11298.2 Ų98.273%0.72754%0.536SS*.PPolyproline II helixtrans-54.2146.7175.5-24.233.4000110.5Q195P193-Q195 PolarHBondContact O-N 3.35Å
194N42.6Very low48.9Very low82 Ų8288.7 Ų88.744%0.43950%0.495SS..  trans-33.3109.5176.6-69-25.2000110.5L196N194-L196 PolarHBondContact O-N 2.84Å; N194-L196 VanDerWaalsContact O-N 3.14Å
195Q43.2Very low52Low133 Ų13383.5 Ų83.562%0.62146%0.458SS*.  trans-55.5126.3-177.7-81.5-179.2-3900108.5P193 I197P193-Q195 PolarHBondContact O-N 3.35Å; Q195-I197 PolarHBondContact O-N 3.37Å
196L49.7Very low55.2Low174 Ų17477.2 Ų77.291%0.91142%0.419SS*.  trans-6897.6177.9-172.574.1000107.8N194 S198N194-L196 PolarHBondContact O-N 2.84Å; N194-L196 VanDerWaalsContact O-N 3.14Å; L196-S198 PolarHBondContact O-N 3.34Å
197I59Low58.6Low54 Ų5468.5 Ų68.528%0.27738%0.382SS..  trans-67.1116.3-179.7-59.9176.1000108.1Q195 L199 I444 L611Q195-I197 PolarHBondContact O-N 3.37Å; I197-L199 PolarHBondContact O-N 3.44Å; I197-I444 HydrophobicContact CD1-CG2 4.39Å; I197-I444 HydrophobicContact CG2-CD1 4.06Å; I197-L611 HydrophobicContact CG2-CD2 3.42Å; I197-L611 VanDerWaalsContact CG2-CD2 3.42Å
198S67.5Low61.8Low58 Ų5861.2 Ų61.241%0.40634%0.343SS..  trans-70.9105.7169.4-176.70000108.3L196L196-S198 PolarHBondContact O-N 3.34Å
199L75.1Confident65.1Low32 Ų3255.8 Ų55.817%0.16831%0.309CS..PPolyproline II helixtrans-68.5148.2172.8-68.6102.8000110.1C96 S98 Y99 I102 I197 C610C96-L199 HydrophobicContact CB-CD2 4.01Å; S98-L199 VanDerWaalsContact OG-CD1 3.32Å; S98-L199 WeakPolarHBondContact OG-CD1 3.39Å; S98-L199 WeakPolarHBondContact OG-CD2 3.47Å; Y99-L199 HydrophobicContact CD2-CD2 4.05Å; I102-L199 HydrophobicContact CD1-CB 3.7Å; I102-L199 HydrophobicContact CD1-CD2 4.31Å; I102-L199 HydrophobicContact CD1-CG 4.42Å; I197-L199 PolarHBondContact O-N 3.44Å; L199-C610 WeakPolarHBondContact CA-O 3.37Å
200A79.4Confident68.5Low0 Ų050.4 Ų50.40%028%0.276CS..PPolyproline II helixtrans-63.6143.7171.900000111.4A204 T609 C610A200-A204 HydrophobicContact CB-CB 3.66Å; A200-T609 WeakPolarHBondContact CB-O 3.33Å; A200-C610 PolarHBondContact N-O 3.21Å
201P83.2Confident72Confident3 Ų344.7 Ų44.72%0.01924%0.241CC..PPolyproline II helixtrans-64155.3166.428.9-34.4000110.6Y143 Y146 F150 I203 A204Y143-P201 HydrophobicContact CE2-CG 4.1Å; Y146-P201 HydrophobicContact CD1-CB 4.49Å; Y146-P201 HydrophobicContact CD1-CG 3.96Å; Y146-P201 HydrophobicContact CE1-CB 3.73Å; Y146-P201 HydrophobicContact CE1-CG 3.69Å; F150-P201 HydrophobicContact CD1-CB 3.98Å; F150-P201 HydrophobicContact CD1-CG 4.1Å; F150-P201 HydrophobicContact CD2-CB 4.22Å; F150-P201 HydrophobicContact CE1-CB 3.82Å; F150-P201 HydrophobicContact CE1-CG 4.31Å; F150-P201 HydrophobicContact CE2-CB 4.1Å; F150-P201 HydrophobicContact CG-CB 4.17Å; F150-P201 HydrophobicContact CG-CG 4.41Å; F150-P201 HydrophobicContact CZ-CB 3.9Å; P201-I203 HydrophobicContact CB-CG2 4.19Å; P201-I203 HydrophobicContact CG-CG2 3.98Å; P201-I203 PolarHBondContact O-N 2.79Å; P201-A204 VanDerWaalsContact O-CB 3.25Å; P201-A204 WeakPolarHBondContact O-CB 3.21Å; P201-A204 PolarHBondContact O-N 3.36Å
202I83.1Confident75Confident16 Ų1639.6 Ų39.68%0.08221%0.214CC..THydrogen-bonded Turntrans-56.3-33.2-170.4-152.3153.6000113.9Y91 Y99 I102 L103 A204 T205Y91-I202 HydrophobicContact CD1-CD1 3.74Å; Y91-I202 HydrophobicContact CD1-CG1 3.38Å; Y91-I202 HydrophobicContact CD2-CD1 4.43Å; Y91-I202 HydrophobicContact CE1-CD1 4.23Å; Y91-I202 HydrophobicContact CE1-CG1 3.78Å; Y91-I202 HydrophobicContact CG-CD1 3.85Å; Y91-I202 HydrophobicContact CG-CG1 4.02Å; Y99-I202 HydrophobicContact CE1-CD1 4.14Å; Y99-I202 HydrophobicContact CE1-CG1 4.01Å; I102-I202 HydrophobicContact CG2-CB 4.46Å; L103-I202 HydrophobicContact CD2-CD1 3.48Å; L103-I202 VanDerWaalsContact CD2-CD1 3.48Å; L103-I202 HydrophobicContact CG-CD1 3.85Å; I202-A204 PolarHBondContact O-N 3.14Å; I202-A204 VanDerWaalsContact O-N 3.08Å; I202-T205 WeakPolarHBondContact O-CA 3.5Å; I202-T205 WeakPolarHBondContact O-CB 3.34Å; I202-T205 PolarHBondContact O-N 3.09Å; I202-T205 PolarHBondContact O-OG1 3.21Å
203I88.5Confident78.2Confident8 Ų833.2 Ų33.24%0.04118%0.181CC..Hα-helixtrans-57.2-22.8178.7-166.1165.5000112.9E110 F111 F142 Y143 Y146 P201 T205 D206 L207E110-I203 HydrophobicContact CB-CD1 3.98Å; F111-I203 HydrophobicContact CB-CD1 4.16Å; F111-I203 HydrophobicContact CB-CG1 4.32Å; F142-I203 HydrophobicContact CE1-CD1 3.89Å; F142-I203 HydrophobicContact CZ-CD1 4.48Å; Y143-I203 HydrophobicContact CD2-CG2 4.46Å; Y143-I203 HydrophobicContact CE2-CG2 4.41Å; Y146-I203 HydrophobicContact CD1-CG2 3.64Å; Y146-I203 HydrophobicContact CD2-CD1 4.41Å; Y146-I203 HydrophobicContact CE1-CG2 3.54Å; Y146-I203 HydrophobicContact CE2-CD1 4.46Å; Y146-I203 HydrophobicContact CG-CG2 4.27Å; P201-I203 HydrophobicContact CB-CG2 4.19Å; P201-I203 HydrophobicContact CG-CG2 3.98Å; P201-I203 PolarHBondContact O-N 2.79Å; I203-T205 PolarHBondContact O-N 2.9Å; I203-D206 PolarHBondContact O-N 3.23Å; I203-L207 HydrophobicContact CG1-CD1 4.14Å; I203-L207 HydrophobicContact CG1-CG 4.04Å; I203-L207 WeakPolarHBondContact O-CB 3.18Å; I203-L207 VanDerWaalsContact O-CG 3.27Å; I203-L207 WeakPolarHBondContact O-CG 3.29Å; I203-L207 PolarHBondContact O-N 3.2Å
204A89.4Confident81.4Confident0 Ų027.9 Ų27.90%015%0.147CC..Hα-helixtrans-57.9-35.7170.600000112.3Y143 A200 P201 I202 T208 C613Y143-A204 HydrophobicContact CE2-CB 3.72Å; A200-A204 HydrophobicContact CB-CB 3.66Å; P201-A204 VanDerWaalsContact O-CB 3.25Å; P201-A204 WeakPolarHBondContact O-CB 3.21Å; P201-A204 PolarHBondContact O-N 3.36Å; I202-A204 PolarHBondContact O-N 3.14Å; I202-A204 VanDerWaalsContact O-N 3.08Å; A204-T208 WeakPolarHBondContact O-CB 3.37Å; A204-T208 PolarHBondContact O-N 3.1Å; A204-T208 VanDerWaalsContact O-N 3.17Å; A204-T208 PolarHBondContact O-OG1 3.3Å; A204-C613 HydrophobicContact CB-CB 4.27Å; A204-C613 WeakPolarHBondContact O-CB 3.49Å
205T90.2Very high83.9Confident2 Ų224 Ų241%0.01213%0.126CC..Hα-helixtrans-62.4-55.5172.1-41.90000110.2Y89 Y91 Y99 I202 I203 L207 T208 W209 T609Y89-T205 HydrophobicContact CD2-CG2 3.66Å; Y89-T205 HydrophobicContact CE2-CG2 3.96Å; Y91-T205 HydrophobicContact CD1-CG2 3.87Å; Y91-T205 HydrophobicContact CE1-CG2 4.35Å; Y99-T205 PolarHBondContact OH-OG1 2.85Å; Y99-T205 VanDerWaalsContact OH-OG1 3.1Å; I202-T205 WeakPolarHBondContact O-CA 3.5Å; I202-T205 WeakPolarHBondContact O-CB 3.34Å; I202-T205 PolarHBondContact O-N 3.09Å; I202-T205 PolarHBondContact O-OG1 3.21Å; I203-T205 PolarHBondContact O-N 2.9Å; T205-L207 VanDerWaalsContact C-N 3.33Å; T205-L207 PolarHBondContact O-N 3.33Å; T205-T208 WeakPolarHBondContact O-CB 3.37Å; T205-T208 PolarHBondContact O-N 2.95Å; T205-W209 PolarHBondContact O-N 3.23Å; T205-W209 VanDerWaalsContact O-N 3.09Å; T205-T609 WeakPolarHBondContact CA-OG1 3.16Å; T205-T609 PolarHBondContact OG1-OG1 3.34Å
206D92.1Very high86.4Confident10 Ų1018.1 Ų18.15%0.05310%0.099CC..Hα-helixtrans-61.9-39.5-176.4-57.6-51.8000112.7Y89 Y91 F111 I203 W209 L210Y89-D206 WeakPolarHBondContact CE2-OD1 3.45Å; Y89-D206 PolarHBondContact OH-OD1 3.43Å; Y91-D206 VanDerWaalsContact CE1-OD1 3.29Å; Y91-D206 WeakPolarHBondContact CE1-OD1 3.35Å; Y91-D206 PolarHBondContact OH-OD1 3.4Å; F111-D206 HydrophobicContact CD2-CB 3.41Å; F111-D206 VanDerWaalsContact CD2-CB 3.41Å; F111-D206 HydrophobicContact CE2-CB 3.53Å; F111-D206 HydrophobicContact CG-CB 4Å; F111-D206 HydrophobicContact CZ-CB 4.21Å; I203-D206 PolarHBondContact O-N 3.23Å; D206-W209 PolarHBondContact O-N 3Å; D206-L210 VanDerWaalsContact O-CB 3.25Å; D206-L210 WeakPolarHBondContact O-CB 3.47Å; D206-L210 PolarHBondContact O-N 2.9Å
207L95.1Very high88.5Confident0 Ų09.9 Ų9.90%06%0.055CC..Hα-helixtrans-70.2-32.6178.4-64.5179.2000113F111 C114 I139 F142 Y143 I203 T205 L210 S211 C613F111-L207 HydrophobicContact CD2-CD2 4.02Å; F111-L207 HydrophobicContact CE2-CD2 4.15Å; C114-L207 HydrophobicContact CB-CD2 4.05Å; C114-L207 VanDerWaalsContact SG-CD2 3.55Å; I139-L207 HydrophobicContact CG2-CB 3.85Å; I139-L207 HydrophobicContact CG2-CD1 4.35Å; I139-L207 HydrophobicContact CG2-CD2 4.17Å; I139-L207 HydrophobicContact CG2-CG 4.33Å; F142-L207 HydrophobicContact CD1-CD1 3.96Å; F142-L207 HydrophobicContact CD1-CD2 4.47Å; F142-L207 HydrophobicContact CE1-CD1 4.36Å; Y143-L207 HydrophobicContact CD2-CD1 3.87Å; Y143-L207 HydrophobicContact CG-CD1 4.21Å; I203-L207 HydrophobicContact CG1-CD1 4.14Å; I203-L207 HydrophobicContact CG1-CG 4.04Å; I203-L207 WeakPolarHBondContact O-CB 3.18Å; I203-L207 VanDerWaalsContact O-CG 3.27Å; I203-L207 WeakPolarHBondContact O-CG 3.29Å; I203-L207 PolarHBondContact O-N 3.2Å; T205-L207 VanDerWaalsContact C-N 3.33Å; T205-L207 PolarHBondContact O-N 3.33Å; L207-L210 HydrophobicContact CD2-CD2 4.01Å; L207-L210 PolarHBondContact O-N 2.93Å; L207-S211 PolarHBondContact O-N 3.02Å; L207-C613 HydrophobicContact CB-CB 4.35Å
208T94.4Very high90.1Very high0 Ų07.3 Ų7.30%04%0.042CC..Hα-helixtrans-63.6-46.2172-62.80000111A204 T205 S211 M212 M607 T609 C613 V614A204-T208 WeakPolarHBondContact O-CB 3.37Å; A204-T208 PolarHBondContact O-N 3.1Å; A204-T208 VanDerWaalsContact O-N 3.17Å; A204-T208 PolarHBondContact O-OG1 3.3Å; T205-T208 WeakPolarHBondContact O-CB 3.37Å; T205-T208 PolarHBondContact O-N 2.95Å; T208-S211 PolarHBondContact O-N 3.1Å; T208-M212 PolarHBondContact O-N 3.41Å; T208-M607 HydrophobicContact CG2-CE 3.75Å; T208-T609 HydrophobicContact CG2-CG2 3.83Å; T208-T609 WeakPolarHBondContact OG1-CG2 3.48Å; T208-C613 VanDerWaalsContact OG1-CA 3.31Å; T208-C613 WeakPolarHBondContact OG1-CA 3.33Å; T208-C613 WeakPolarHBondContact OG1-CB 3.46Å; T208-V614 HydrophobicContact CG2-CB 3.91Å; T208-V614 WeakPolarHBondContact CG2-O 3.34Å; T208-V614 PolarHBondContact OG1-N 3.03Å
209W95.3Very high91.3Very high13 Ų135.6 Ų5.65%0.0493%0.028CC..Hα-helixtrans-76.2-24.5179.1-64.4110.8000113.1V87 Y89 T205 D206 M212 S213 M607 L640 W646V87-W209 HydrophobicContact CG1-CE3 3.54Å; V87-W209 HydrophobicContact CG1-CZ3 3.86Å; Y89-W209 VanDerWaalsContact CB-CE2 3.46Å; Y89-W209 HydrophobicContact CD1-CB 3.68Å; Y89-W209 AromaticContact CD1-CD1 3.66Å; Y89-W209 HydrophobicContact CD1-CD2 4.2Å; Y89-W209 AromaticContact CD1-CG 3.53Å; Y89-W209 HydrophobicContact CD1-CG 3.53Å; Y89-W209 AromaticContact CD2-CD1 3.34Å; Y89-W209 HydrophobicContact CD2-CG 4.08Å; Y89-W209 AromaticContact CD2-NE1 3.86Å; Y89-W209 HydrophobicContact CE1-CB 3.77Å; Y89-W209 HydrophobicContact CE1-CG 4.08Å; Y89-W209 AromaticContact CE2-CD1 3.9Å; Y89-W209 HydrophobicContact CG-CB 4.15Å; Y89-W209 AromaticContact CG-CD1 3.17Å; Y89-W209 HydrophobicContact CG-CD2 4.09Å; Y89-W209 AromaticContact CG-CG 3.53Å; Y89-W209 HydrophobicContact CG-CG 3.53Å; Y89-W209 AromaticContact CG-NE1 3.61Å; T205-W209 PolarHBondContact O-N 3.23Å; T205-W209 VanDerWaalsContact O-N 3.09Å; D206-W209 PolarHBondContact O-N 3Å; W209-M212 HydrophobicContact CE3-CB 4.07Å; W209-M212 HydrophobicContact CE3-CG 4.12Å; W209-M212 HydrophobicContact CZ3-CB 4.4Å; W209-M212 HydrophobicContact CZ3-CG 4.05Å; W209-S213 WeakPolarHBondContact O-CB 3.36Å; W209-S213 PolarHBondContact O-N 3.35Å; W209-S213 PolarHBondContact O-OG 3.42Å; W209-M607 HydrophobicContact CH2-CB 4.11Å; W209-M607 HydrophobicContact CH2-CG 4.33Å; W209-M607 HydrophobicContact CZ2-CB 4.05Å; W209-L640 HydrophobicContact CH2-CD1 3.5Å; W209-L640 VanDerWaalsContact CH2-CD1 3.5Å; W209-L640 HydrophobicContact CZ2-CD1 4.11Å; W209-L640 HydrophobicContact CZ3-CD1 4.47Å; W209-W646 HydrophobicContact CH2-CH2 4.21Å; W209-W646 HydrophobicContact CH2-CZ2 4.16Å; W209-W646 HydrophobicContact CZ3-CH2 4.01Å; W209-W646 AromaticContact CZ3-CZ2 3.76Å; W209-W646 HydrophobicContact CZ3-CZ2 3.76Å
210L96.3Very high92Very high0 Ų08.7 Ų8.70%04%0.04CC..Hα-helixtrans-63.1-54.5167.2179.864000110.5I55 L71 F111 V115 I139 D206 L207 M212 S213 L214I55-L210 HydrophobicContact CD1-CD1 3.57Å; I55-L210 HydrophobicContact CG2-CD1 4.15Å; L71-L210 HydrophobicContact CD1-CB 4.01Å; L71-L210 HydrophobicContact CD1-CD1 4.23Å; F111-L210 HydrophobicContact CE2-CB 4.16Å; F111-L210 HydrophobicContact CE2-CD2 4.05Å; F111-L210 HydrophobicContact CZ-CB 4.45Å; V115-L210 HydrophobicContact CG2-CD1 4.42Å; V115-L210 HydrophobicContact CG2-CD2 4.49Å; I139-L210 HydrophobicContact CD1-CD2 4.08Å; I139-L210 HydrophobicContact CD1-CG 4.18Å; I139-L210 HydrophobicContact CG1-CD2 4.37Å; D206-L210 VanDerWaalsContact O-CB 3.25Å; D206-L210 WeakPolarHBondContact O-CB 3.47Å; D206-L210 PolarHBondContact O-N 2.9Å; L207-L210 HydrophobicContact CD2-CD2 4.01Å; L207-L210 PolarHBondContact O-N 2.93Å; L210-M212 PolarHBondContact O-N 3.41Å; L210-S213 PolarHBondContact O-N 3.24Å; L210-L214 HydrophobicContact CD1-CD1 3.84Å; L210-L214 HydrophobicContact CD1-CG 4.13Å; L210-L214 HydrophobicContact CG-CD1 3.91Å; L210-L214 WeakPolarHBondContact O-CB 3.07Å; L210-L214 VanDerWaalsContact O-CG 3.26Å; L210-L214 WeakPolarHBondContact O-CG 3.48Å; L210-L214 PolarHBondContact O-N 3.34Å
211S97.2Very high92.3Very high0 Ų09 Ų90%04%0.043CC..Hα-helixtrans-52.7-56.2175.7174.70000111D136 L207 T208 S213 L214 H215 I616D136-S211 VanDerWaalsContact CG-OG 3.3Å; D136-S211 VanDerWaalsContact OD1-CB 3.25Å; D136-S211 WeakPolarHBondContact OD1-CB 3.16Å; D136-S211 PolarHBondContact OD1-OG 2.83Å; D136-S211 PolarHBondContact OD2-OG 3.2Å; L207-S211 PolarHBondContact O-N 3.02Å; T208-S211 PolarHBondContact O-N 3.1Å; S211-S213 VanDerWaalsContact C-N 3.33Å; S211-S213 PolarHBondContact O-N 3.35Å; S211-L214 PolarHBondContact O-N 2.95Å; S211-L214 VanDerWaalsContact O-N 3.16Å; S211-H215 PolarHBondContact O-CD2 3.24Å; S211-H215 PolarHBondContact O-N 3.16Å; S211-I616 PolarHBondContact OG-N 2.88Å
212M96.6Very high92.4Very high0 Ų010.2 Ų10.20%05%0.051CC..Hα-helixtrans-53.5-46177.3-177.262.574.400113.1T208 W209 L210 H215 L216 F228 M607 I616 W646 M650T208-M212 PolarHBondContact O-N 3.41Å; W209-M212 HydrophobicContact CE3-CB 4.07Å; W209-M212 HydrophobicContact CE3-CG 4.12Å; W209-M212 HydrophobicContact CZ3-CB 4.4Å; W209-M212 HydrophobicContact CZ3-CG 4.05Å; L210-M212 PolarHBondContact O-N 3.41Å; M212-H215 PolarHBondContact O-N 3.21Å; M212-L216 HydrophobicContact CG-CD1 4.11Å; M212-L216 WeakPolarHBondContact O-CB 3.49Å; M212-L216 WeakPolarHBondContact O-CG 3.44Å; M212-L216 PolarHBondContact O-N 3.47Å; M212-L216 HydrophobicContact SD-CD1 4.47Å; M212-F228 HydrophobicContact SD-CE1 4.23Å; M212-F228 HydrophobicContact SD-CZ 4.01Å; M212-M607 HydrophobicContact CE-CE 3.73Å; M212-M607 HydrophobicContact CE-SD 4.38Å; M212-I616 HydrophobicContact CB-CD1 4.5Å; M212-I616 HydrophobicContact CE-CD1 3.45Å; M212-I616 VanDerWaalsContact CE-CD1 3.45Å; M212-I616 HydrophobicContact SD-CD1 3.95Å; M212-W646 HydrophobicContact CE-CE3 3.99Å; M212-W646 HydrophobicContact CE-CH2 3.54Å; M212-W646 HydrophobicContact CE-CZ2 4.41Å; M212-W646 HydrophobicContact CE-CZ3 3.28Å; M212-W646 HydrophobicContact CG-CH2 4.46Å; M212-W646 HydrophobicContact CG-CZ2 4.48Å; M212-W646 HydrophobicContact SD-CD2 4.35Å; M212-W646 HydrophobicContact SD-CE3 3.83Å; M212-W646 HydrophobicContact SD-CH2 4.15Å; M212-W646 HydrophobicContact SD-CZ3 3.75Å; M212-M650 HydrophobicContact CE-CE 4.48Å; M212-M650 HydrophobicContact CE-SD 3.81Å
213S96Very high92.2Very high0 Ų013.3 Ų13.30%07%0.072CC..Hα-helixtrans-71.7-30.8-177.2-59.60000113V87 W209 L210 S211 T217V87-S213 WeakPolarHBondContact CB-OG 3.21Å; V87-S213 WeakPolarHBondContact CG2-OG 3.37Å; W209-S213 WeakPolarHBondContact O-CB 3.36Å; W209-S213 PolarHBondContact O-N 3.35Å; W209-S213 PolarHBondContact O-OG 3.42Å; L210-S213 PolarHBondContact O-N 3.24Å; S211-S213 VanDerWaalsContact C-N 3.33Å; S211-S213 PolarHBondContact O-N 3.35Å; S213-T217 WeakPolarHBondContact O-CB 3.18Å; S213-T217 PolarHBondContact O-N 2.84Å; S213-T217 PolarHBondContact O-OG1 3.14Å
214L95.7Very high91.7Very high0 Ų018.7 Ų18.70%011%0.106CC..Hα-helixtrans-72.3-40.3174.2-69.5174.5000111.1I55 V118 L122 W127 M132 V135 I139 L210 S211 T217 A218I55-L214 HydrophobicContact CD1-CD2 3.84Å; V118-L214 HydrophobicContact CG1-CD1 3.66Å; L122-L214 HydrophobicContact CD1-CD1 4.3Å; L122-L214 HydrophobicContact CD1-CD2 3.56Å; W127-L214 HydrophobicContact CH2-CD2 4.42Å; W127-L214 HydrophobicContact CZ3-CD2 4.44Å; M132-L214 HydrophobicContact CE-CB 3.89Å; V135-L214 HydrophobicContact CG1-CD1 3.85Å; I139-L214 HydrophobicContact CD1-CD1 4.39Å; L210-L214 HydrophobicContact CD1-CD1 3.84Å; L210-L214 HydrophobicContact CD1-CG 4.13Å; L210-L214 HydrophobicContact CG-CD1 3.91Å; L210-L214 WeakPolarHBondContact O-CB 3.07Å; L210-L214 VanDerWaalsContact O-CG 3.26Å; L210-L214 WeakPolarHBondContact O-CG 3.48Å; L210-L214 PolarHBondContact O-N 3.34Å; S211-L214 PolarHBondContact O-N 2.95Å; S211-L214 VanDerWaalsContact O-N 3.16Å; L214-T217 CarbonylContact O-C 3.55Å; L214-T217 WeakPolarHBondContact O-CB 3.33Å; L214-T217 PolarHBondContact O-N 3.35Å; L214-T217 VanDerWaalsContact O-N 3.14Å; L214-A218 WeakPolarHBondContact O-CB 3.41Å; L214-A218 PolarHBondContact O-N 3.26Å
215H95.9Very high91.3Very high0 Ų020.1 Ų20.10%011%0.113CC..Hα-helixtrans-63.1-42.8171.5-77.8-69.5000112.8D136 S211 M212 T217 A218 M219 F228 Y231 L235 I616D136-H215 IonicContact OD1-NE2 2.74Å; D136-H215 IonicContact OD2-NE2 3.65Å; D136-H215 PolarHBondContact OD2-NE2 2.82Å; S211-H215 PolarHBondContact O-CD2 3.24Å; S211-H215 PolarHBondContact O-N 3.16Å; M212-H215 PolarHBondContact O-N 3.21Å; H215-T217 PolarHBondContact O-N 2.95Å; H215-A218 PolarHBondContact O-N 2.82Å; H215-M219 PolarHBondContact O-N 2.58Å; H215-M219 VanDerWaalsContact O-N 3.11Å; H215-F228 HydrophobicContact CB-CE2 4.37Å; H215-Y231 HydrophobicContact CB-CE1 3.81Å; H215-Y231 AromaticContact ND1-CE1 3.59Å; H215-Y231 AromaticContact ND1-CZ 3.66Å; H215-Y231 PolarHBondContact ND1-OH 3.22Å; H215-L235 WeakPolarHBondContact CE1-CD2 3.2Å; H215-L235 WeakPolarHBondContact ND1-CD2 3.34Å; H215-I616 HydrophobicContact CB-CG1 4.42Å; H215-I616 VanDerWaalsContact CD2-CB 3.48Å; H215-I616 WeakPolarHBondContact CD2-CB 3.18Å; H215-I616 WeakPolarHBondContact CD2-CG1 3.36Å
216L95.1Very high90.9Very high11 Ų1126.8 Ų26.86%0.05815%0.149CC..Hα-helixtrans-62.1-31.7171.4-79.9165.6000112.7T85 V87 M212 K220 F228 W646T85-L216 HydrophobicContact CG2-CB 3.83Å; T85-L216 HydrophobicContact CG2-CD1 4.39Å; V87-L216 HydrophobicContact CG2-CD1 3.52Å; M212-L216 HydrophobicContact CG-CD1 4.11Å; M212-L216 WeakPolarHBondContact O-CB 3.49Å; M212-L216 WeakPolarHBondContact O-CG 3.44Å; M212-L216 PolarHBondContact O-N 3.47Å; M212-L216 HydrophobicContact SD-CD1 4.47Å; L216-K220 WeakPolarHBondContact O-CG 3.35Å; L216-K220 PolarHBondContact O-N 3.44Å; L216-F228 HydrophobicContact CB-CE2 4.37Å; L216-F228 HydrophobicContact CD2-CD1 4.01Å; L216-F228 HydrophobicContact CD2-CD2 3.66Å; L216-F228 HydrophobicContact CD2-CE1 3.91Å; L216-F228 HydrophobicContact CD2-CE2 3.59Å; L216-F228 HydrophobicContact CD2-CG 3.85Å; L216-F228 HydrophobicContact CD2-CZ 3.69Å; L216-F228 HydrophobicContact CG-CD2 4.33Å; L216-F228 HydrophobicContact CG-CE1 4.28Å; L216-F228 HydrophobicContact CG-CE2 3.76Å; L216-F228 HydrophobicContact CG-CZ 3.69Å; L216-W646 HydrophobicContact CD1-CG 4.28Å; L216-W646 HydrophobicContact CD2-CB 3.94Å; L216-W646 HydrophobicContact CD2-CG 4.25Å
217T93.3Very high90.8Very high0 Ų028.8 Ų28.80%016%0.159CC..Hα-helixtrans-75.3-42175.4-58.80000111.7V73 I84 T85 W127 S213 L214 H215 M219 K220 C221V73-T217 HydrophobicContact CG1-CG2 4.03Å; I84-T217 HydrophobicContact CD1-CG2 4.42Å; I84-T217 HydrophobicContact CG2-CG2 3.58Å; T85-T217 VanDerWaalsContact CB-OG1 3.27Å; T85-T217 WeakPolarHBondContact CB-OG1 3.4Å; T85-T217 PolarHBondContact OG1-OG1 2.98Å; T85-T217 VanDerWaalsContact OG1-OG1 3.05Å; W127-T217 HydrophobicContact CH2-CG2 3.39Å; W127-T217 HydrophobicContact CZ2-CG2 3.75Å; W127-T217 HydrophobicContact CZ3-CG2 3.98Å; S213-T217 WeakPolarHBondContact O-CB 3.18Å; S213-T217 PolarHBondContact O-N 2.84Å; S213-T217 PolarHBondContact O-OG1 3.14Å; L214-T217 CarbonylContact O-C 3.55Å; L214-T217 WeakPolarHBondContact O-CB 3.33Å; L214-T217 PolarHBondContact O-N 3.35Å; L214-T217 VanDerWaalsContact O-N 3.14Å; H215-T217 PolarHBondContact O-N 2.95Å; T217-M219 VanDerWaalsContact C-N 3.28Å; T217-M219 PolarHBondContact O-N 3.36Å; T217-K220 CarbonylContact O-C 3.54Å; T217-K220 PolarHBondContact O-N 3Å; T217-C221 WeakPolarHBondContact O-CB 3.29Å; T217-C221 PolarHBondContact O-N 3.36Å; T217-C221 PolarHBondContact O-SG 3.38Å
218A92.8Very high90.8Very high0 Ų028.9 Ų28.90%016%0.16CC..Hα-helixtrans-56.1-43175.300000111.5W127 M132 L214 H215 C221 S222 Y231W127-A218 HydrophobicContact CB-CB 4.18Å; W127-A218 HydrophobicContact CD2-CB 4.36Å; W127-A218 HydrophobicContact CE3-CB 3.61Å; W127-A218 HydrophobicContact CZ3-CB 4.31Å; M132-A218 HydrophobicContact CG-CB 3.98Å; M132-A218 HydrophobicContact SD-CB 3.99Å; L214-A218 WeakPolarHBondContact O-CB 3.41Å; L214-A218 PolarHBondContact O-N 3.26Å; H215-A218 PolarHBondContact O-N 2.82Å; A218-C221 PolarHBondContact O-N 2.72Å; A218-S222 PolarHBondContact O-N 2.91Å; A218-S222 VanDerWaalsContact O-N 3.09Å; A218-Y231 HydrophobicContact CB-CE2 3.67Å; A218-Y231 WeakPolarHBondContact CB-OH 3.29Å
219M92.6Very high90.6Very high23 Ų2330.5 Ų30.511%0.11317%0.167CC..Hα-helixtrans-56.9-53.8170.2-179.9-152.867.900111.8H215 T217 C221 S222 I225 F228 Y231H215-M219 PolarHBondContact O-N 2.58Å; H215-M219 VanDerWaalsContact O-N 3.11Å; T217-M219 VanDerWaalsContact C-N 3.28Å; T217-M219 PolarHBondContact O-N 3.36Å; M219-C221 VanDerWaalsContact C-N 3.25Å; M219-C221 PolarHBondContact O-N 2.92Å; M219-S222 VanDerWaalsContact O-CB 3.24Å; M219-S222 WeakPolarHBondContact O-CB 3.17Å; M219-S222 PolarHBondContact O-N 2.77Å; M219-I225 HydrophobicContact CG-CG2 4.4Å; M219-F228 HydrophobicContact CB-CD2 4.2Å; M219-F228 HydrophobicContact CG-CD2 4.48Å; M219-F228 WeakPolarHBondContact SD-CA 3.48Å; M219-F228 HydrophobicContact SD-CB 3.53Å; M219-F228 VanDerWaalsContact SD-CB 3.53Å; M219-F228 HydrophobicContact SD-CD2 3.92Å; M219-F228 HydrophobicContact SD-CG 4.21Å; M219-F228 PolarHBondContact SD-N 2.97Å; M219-Y231 HydrophobicContact CB-CD1 4.47Å; M219-Y231 HydrophobicContact CB-CD2 3.98Å; M219-Y231 HydrophobicContact CB-CG 3.86Å; M219-Y231 HydrophobicContact CG-CG 4.43Å
220K89.3Confident90.4Very high96 Ų9631.6 Ų31.642%0.41718%0.179SC..Hα-helixtrans-67.5-24.4-177.3-67.3175.3-172.7161.70113.9I84 T85 L216 T217 S222I84-K220 HydrophobicContact CD1-CB 3.69Å; I84-K220 HydrophobicContact CG1-CB 3.73Å; I84-K220 HydrophobicContact CG1-CD 3.83Å; I84-K220 HydrophobicContact CG1-CG 4.44Å; I84-K220 WeakPolarHBondContact O-CD 3.38Å; I84-K220 WeakPolarHBondContact O-CE 3.22Å; I84-K220 PolarHBondContact O-NZ 2.87Å; T85-K220 PolarHBondContact OG1-NZ 2.89Å; L216-K220 WeakPolarHBondContact O-CG 3.35Å; L216-K220 PolarHBondContact O-N 3.44Å; T217-K220 CarbonylContact O-C 3.54Å; T217-K220 PolarHBondContact O-N 3Å; K220-S222 VanDerWaalsContact C-N 3.34Å
221C86.5Confident90.4Very high7 Ų731.7 Ų31.75%0.04718%0.179CC..Hα-helixtrans-81-13.3172.3-74.90000112.8T49 W127 T217 A218 M219 P223T49-C221 HydrophobicContact CG2-CB 3.69Å; T49-C221 WeakPolarHBondContact CG2-O 3.39Å; W127-C221 HydrophobicContact CB-CB 4.36Å; W127-C221 HydrophobicContact CD2-CB 4.14Å; W127-C221 HydrophobicContact CG-CB 3.82Å; T217-C221 WeakPolarHBondContact O-CB 3.29Å; T217-C221 PolarHBondContact O-N 3.36Å; T217-C221 PolarHBondContact O-SG 3.38Å; A218-C221 PolarHBondContact O-N 2.72Å; M219-C221 VanDerWaalsContact C-N 3.25Å; M219-C221 PolarHBondContact O-N 2.92Å; C221-P223 WeakPolarHBondContact O-CD 3.49Å
222S85.2Confident90.3Very high29 Ų2931.7 Ų31.720%0.20318%0.179CC..  trans-77.1123.6-179.5-172.60000111.3A218 M219 K220 T224 I225A218-S222 PolarHBondContact O-N 2.91Å; A218-S222 VanDerWaalsContact O-N 3.09Å; M219-S222 VanDerWaalsContact O-CB 3.24Å; M219-S222 WeakPolarHBondContact O-CB 3.17Å; M219-S222 PolarHBondContact O-N 2.77Å; K220-S222 VanDerWaalsContact C-N 3.34Å; S222-T224 PolarHBondContact O-N 2.74Å; S222-T224 PolarHBondContact OG-N 3.24Å; S222-T224 PolarHBondContact OG-OG1 2.87Å; S222-I225 WeakPolarHBondContact OG-CB 3.2Å; S222-I225 PolarHBondContact OG-N 3.03Å; S222-I225 VanDerWaalsContact OG-N 3.13Å
223P78.4Confident90.1Very high81 Ų8135.3 Ų35.353%0.52620%0.195SC..SBendtrans-73.3-16.1174.830-34.7000112.9C221C221-P223 WeakPolarHBondContact O-CD 3.49Å
224T78.5Confident89.9Confident121 Ų12137.6 Ų37.674%0.74221%0.211SC*.SBendtrans-106.7-28.4-175.3510000113.7S222S222-T224 PolarHBondContact O-N 2.74Å; S222-T224 PolarHBondContact OG-N 3.24Å; S222-T224 PolarHBondContact OG-OG1 2.87Å
225I81.4Confident89.9Confident29 Ų2937.6 Ų37.615%0.14921%0.211CC..  trans-105.4108.4-175.7-57172000109.7M219 S222 N227 A230 Y231M219-I225 HydrophobicContact CG-CG2 4.4Å; S222-I225 WeakPolarHBondContact OG-CB 3.2Å; S222-I225 PolarHBondContact OG-N 3.03Å; S222-I225 VanDerWaalsContact OG-N 3.13Å; I225-N227 WeakPolarHBondContact CG2-O 3.44Å; I225-A230 HydrophobicContact CG2-CB 3.99Å; I225-Y231 HydrophobicContact CD1-CD2 4.37Å
226N81.9Confident89.9Confident143 Ų14338.2 Ų38.277%0.76521%0.214SC*.  trans-98.50.7-172.667.71.9000115.4
227N89.2Confident89.7Confident52 Ų5241.1 Ų41.128%0.27823%0.229SC..SBendtrans-151.2157.9-178.870.777.8000111.7I225 Q229 A230 Y231I225-N227 WeakPolarHBondContact CG2-O 3.44Å; N227-Q229 VanDerWaalsContact C-N 3.31Å; N227-Q229 PolarHBondContact O-N 2.92Å; N227-Q229 WeakPolarHBondContact OD1-CB 3.34Å; N227-Q229 PolarHBondContact OD1-N 2.73Å; N227-A230 WeakPolarHBondContact OD1-CB 3.45Å; N227-A230 PolarHBondContact OD1-N 3.32Å; N227-Y231 PolarHBondContact O-N 2.94Å
228F94.1Very high89.7Confident2 Ų244.3 Ų44.31%0.00924%0.244CC..Hα-helixtrans-78.6-21.8-167.1-165-128.5000112.7M212 H215 L216 M219 Y231 M232 W646 D649 M650M212-F228 HydrophobicContact SD-CE1 4.23Å; M212-F228 HydrophobicContact SD-CZ 4.01Å; H215-F228 HydrophobicContact CB-CE2 4.37Å; L216-F228 HydrophobicContact CB-CE2 4.37Å; L216-F228 HydrophobicContact CD2-CD1 4.01Å; L216-F228 HydrophobicContact CD2-CD2 3.66Å; L216-F228 HydrophobicContact CD2-CE1 3.91Å; L216-F228 HydrophobicContact CD2-CE2 3.59Å; L216-F228 HydrophobicContact CD2-CG 3.85Å; L216-F228 HydrophobicContact CD2-CZ 3.69Å; L216-F228 HydrophobicContact CG-CD2 4.33Å; L216-F228 HydrophobicContact CG-CE1 4.28Å; L216-F228 HydrophobicContact CG-CE2 3.76Å; L216-F228 HydrophobicContact CG-CZ 3.69Å; M219-F228 HydrophobicContact CB-CD2 4.2Å; M219-F228 HydrophobicContact CG-CD2 4.48Å; M219-F228 WeakPolarHBondContact SD-CA 3.48Å; M219-F228 HydrophobicContact SD-CB 3.53Å; M219-F228 VanDerWaalsContact SD-CB 3.53Å; M219-F228 HydrophobicContact SD-CD2 3.92Å; M219-F228 HydrophobicContact SD-CG 4.21Å; M219-F228 PolarHBondContact SD-N 2.97Å; F228-Y231 AromaticContact CD2-CD1 3.94Å; F228-Y231 HydrophobicContact CD2-CD1 3.94Å; F228-Y231 HydrophobicContact CD2-CG 4.43Å; F228-Y231 AromaticContact CE2-CD1 3.8Å; F228-Y231 HydrophobicContact CE2-CD1 3.8Å; F228-Y231 HydrophobicContact CE2-CE1 4.3Å; F228-Y231 PolarHBondContact O-N 2.73Å; F228-M232 HydrophobicContact CD1-CE 4.47Å; F228-M232 HydrophobicContact CD1-CG 4.29Å; F228-M232 HydrophobicContact CE1-CE 3.52Å; F228-M232 HydrophobicContact CE1-CG 4.2Å; F228-M232 HydrophobicContact CE2-CE 3.9Å; F228-M232 HydrophobicContact CE2-CG 4.49Å; F228-M232 HydrophobicContact CZ-CE 3.18Å; F228-M232 HydrophobicContact CZ-CG 4.33Å; F228-M232 VanDerWaalsContact O-CB 3.3Å; F228-M232 WeakPolarHBondContact O-CB 3.38Å; F228-M232 VanDerWaalsContact O-CG 3.31Å; F228-M232 WeakPolarHBondContact O-CG 3.38Å; F228-M232 PolarHBondContact O-N 2.72Å; F228-W646 HydrophobicContact CD1-CB 3.75Å; F228-W646 HydrophobicContact CE1-CB 4.07Å; F228-W646 HydrophobicContact CE1-CE3 4.07Å; F228-D649 HydrophobicContact CB-CB 3.81Å; F228-D649 HydrophobicContact CD1-CB 4.23Å; F228-M650 HydrophobicContact CD1-CB 4.31Å; F228-M650 HydrophobicContact CE1-CB 4.09Å
229Q92Very high89.7Confident33 Ų3344.4 Ų44.415%0.15424%0.244CC..Hα-helixtrans-70.9-45.6177.4178.5-105.1-31.800111.4N227 Y231 M232 K233 D649 I652 G653 Y679N227-Q229 VanDerWaalsContact C-N 3.31Å; N227-Q229 PolarHBondContact O-N 2.92Å; N227-Q229 WeakPolarHBondContact OD1-CB 3.34Å; N227-Q229 PolarHBondContact OD1-N 2.73Å; Q229-Y231 VanDerWaalsContact C-N 3.33Å; Q229-M232 PolarHBondContact O-N 2.94Å; Q229-K233 WeakPolarHBondContact O-CB 3.32Å; Q229-K233 PolarHBondContact O-N 3.03Å; Q229-D649 WeakPolarHBondContact CA-O 3.27Å; Q229-D649 HydrophobicContact CB-CB 3.97Å; Q229-D649 WeakPolarHBondContact CB-O 3.33Å; Q229-I652 HydrophobicContact CG-CB 3.99Å; Q229-I652 HydrophobicContact CG-CG2 3.62Å; Q229-G653 WeakPolarHBondContact O-CA 3.4Å; Q229-Y679 HydrophobicContact CG-CE2 4.4Å; Q229-Y679 PolarHBondContact NE2-OH 2.73Å; Q229-Y679 VanDerWaalsContact OE1-CE2 3.22Å
230A91.2Very high89.6Confident36 Ų3644 Ų4430%0.29824%0.243SC..Hα-helixtrans-64.8-36.4171.800000112.1I225 N227 S234I225-A230 HydrophobicContact CG2-CB 3.99Å; N227-A230 WeakPolarHBondContact OD1-CB 3.45Å; N227-A230 PolarHBondContact OD1-N 3.32Å; A230-S234 WeakPolarHBondContact O-CB 3.44Å; A230-S234 PolarHBondContact O-N 3.45Å
231Y94.6Very high89.6Confident2 Ų245 Ų451%0.00825%0.249CC..Hα-helixtrans-62.4-52.1173.3178.7-95.5000111.8H215 A218 M219 I225 N227 F228 Q229 K233 S234 L235H215-Y231 HydrophobicContact CB-CE1 3.81Å; H215-Y231 AromaticContact ND1-CE1 3.59Å; H215-Y231 AromaticContact ND1-CZ 3.66Å; H215-Y231 PolarHBondContact ND1-OH 3.22Å; A218-Y231 HydrophobicContact CB-CE2 3.67Å; A218-Y231 WeakPolarHBondContact CB-OH 3.29Å; M219-Y231 HydrophobicContact CB-CD1 4.47Å; M219-Y231 HydrophobicContact CB-CD2 3.98Å; M219-Y231 HydrophobicContact CB-CG 3.86Å; M219-Y231 HydrophobicContact CG-CG 4.43Å; I225-Y231 HydrophobicContact CD1-CD2 4.37Å; N227-Y231 PolarHBondContact O-N 2.94Å; F228-Y231 AromaticContact CD2-CD1 3.94Å; F228-Y231 HydrophobicContact CD2-CD1 3.94Å; F228-Y231 HydrophobicContact CD2-CG 4.43Å; F228-Y231 AromaticContact CE2-CD1 3.8Å; F228-Y231 HydrophobicContact CE2-CD1 3.8Å; F228-Y231 HydrophobicContact CE2-CE1 4.3Å; F228-Y231 PolarHBondContact O-N 2.73Å; Q229-Y231 VanDerWaalsContact C-N 3.33Å; Y231-K233 VanDerWaalsContact C-N 3.29Å; Y231-K233 PolarHBondContact O-N 2.67Å; Y231-S234 PolarHBondContact O-N 3.23Å; Y231-S234 VanDerWaalsContact O-N 3.14Å; Y231-L235 HydrophobicContact CE1-CB 4.48Å; Y231-L235 HydrophobicContact CE1-CD2 4.02Å; Y231-L235 WeakPolarHBondContact O-CB 3.28Å; Y231-L235 PolarHBondContact O-N 3.24Å
232M95.3Very high89.7Confident0 Ų046 Ų460%026%0.255CS..Hα-helixtrans-61.4-36.9180-80.9-72.7-179.400112.4F228 Q229 L235 Y236 I616 M650 G653 L654F228-M232 HydrophobicContact CD1-CE 4.47Å; F228-M232 HydrophobicContact CD1-CG 4.29Å; F228-M232 HydrophobicContact CE1-CE 3.52Å; F228-M232 HydrophobicContact CE1-CG 4.2Å; F228-M232 HydrophobicContact CE2-CE 3.9Å; F228-M232 HydrophobicContact CE2-CG 4.49Å; F228-M232 HydrophobicContact CZ-CE 3.18Å; F228-M232 HydrophobicContact CZ-CG 4.33Å; F228-M232 VanDerWaalsContact O-CB 3.3Å; F228-M232 WeakPolarHBondContact O-CB 3.38Å; F228-M232 VanDerWaalsContact O-CG 3.31Å; F228-M232 WeakPolarHBondContact O-CG 3.38Å; F228-M232 PolarHBondContact O-N 2.72Å; Q229-M232 PolarHBondContact O-N 2.94Å; M232-L235 PolarHBondContact O-N 3.34Å; M232-L235 HydrophobicContact SD-CD2 4.42Å; M232-Y236 WeakPolarHBondContact O-CB 3.2Å; M232-Y236 PolarHBondContact O-N 3.33Å; M232-I616 HydrophobicContact CE-CD1 4.38Å; M232-I616 HydrophobicContact CE-CG1 4.45Å; M232-I616 HydrophobicContact CE-CG2 3.55Å; M232-I616 HydrophobicContact SD-CG2 3.81Å; M232-M650 HydrophobicContact CE-CB 4.45Å; M232-M650 HydrophobicContact CE-CG 3.8Å; M232-M650 HydrophobicContact CE-SD 3.91Å; M232-M650 HydrophobicContact CG-CB 4.38Å; M232-M650 HydrophobicContact CG-CG 4.17Å; M232-M650 HydrophobicContact SD-CG 4.01Å; M232-G653 CarbonylContact C-O 3.46Å; M232-L654 HydrophobicContact CB-CD2 3.89Å; M232-L654 HydrophobicContact CB-CG 4.19Å; M232-L654 HydrophobicContact CG-CD2 4.42Å; M232-L654 HydrophobicContact SD-CD1 4.16Å; M232-L654 HydrophobicContact SD-CD2 3.83Å; M232-L654 HydrophobicContact SD-CG 4.07Å
233K92.7Very high89.6Confident77 Ų7745.5 Ų45.534%0.33525%0.251SS..Hα-helixtrans-63.7-47.9172.3-178.4175.1179.4-179.70112.2Q229 Y231 L235 Y236 D237 F261 G653Q229-K233 WeakPolarHBondContact O-CB 3.32Å; Q229-K233 PolarHBondContact O-N 3.03Å; Y231-K233 VanDerWaalsContact C-N 3.29Å; Y231-K233 PolarHBondContact O-N 2.67Å; K233-L235 VanDerWaalsContact C-N 3.27Å; K233-L235 PolarHBondContact O-N 2.75Å; K233-Y236 WeakPolarHBondContact O-CB 3.23Å; K233-Y236 PolarHBondContact O-N 3.22Å; K233-D237 PolarHBondContact O-N 3.25Å; K233-F261 HydrophobicContact CB-CE1 4.39Å; K233-F261 HydrophobicContact CD-CD1 4.22Å; K233-F261 HydrophobicContact CD-CD2 4.41Å; K233-F261 HydrophobicContact CD-CE1 4.44Å; K233-F261 HydrophobicContact CD-CG 4.2Å; K233-F261 HydrophobicContact CG-CD1 4.21Å; K233-F261 HydrophobicContact CG-CD2 4.46Å; K233-F261 HydrophobicContact CG-CE1 3.93Å; K233-F261 HydrophobicContact CG-CE2 4.16Å; K233-F261 HydrophobicContact CG-CG 4.47Å; K233-F261 HydrophobicContact CG-CZ 3.9Å; K233-G653 VanDerWaalsContact CA-O 3.25Å; K233-G653 WeakPolarHBondContact CA-O 3.5Å; K233-G653 PolarHBondContact N-O 3.47Å
234S93Very high89.8Confident47 Ų4744.7 Ų44.733%0.32924%0.241SC..Hα-helixtrans-62.4-35.5177.6-170.40000112.3A230 Y231 E238A230-S234 WeakPolarHBondContact O-CB 3.44Å; A230-S234 PolarHBondContact O-N 3.45Å; Y231-S234 PolarHBondContact O-N 3.23Å; Y231-S234 VanDerWaalsContact O-N 3.14Å; S234-E238 WeakPolarHBondContact O-CB 3.5Å; S234-E238 PolarHBondContact O-N 3.03Å
235L95.2Very high89.9Confident0 Ų042.9 Ų42.90%023%0.233CC..Hα-helixtrans-71.5-39.3175.3-175.967.4000111.9P129 I133 H215 Y231 M232 K233 E238 V239 I616 T617 I620P129-L235 HydrophobicContact CB-CD1 4.01Å; I133-L235 HydrophobicContact CG1-CD1 4.38Å; H215-L235 WeakPolarHBondContact CE1-CD2 3.2Å; H215-L235 WeakPolarHBondContact ND1-CD2 3.34Å; Y231-L235 HydrophobicContact CE1-CB 4.48Å; Y231-L235 HydrophobicContact CE1-CD2 4.02Å; Y231-L235 WeakPolarHBondContact O-CB 3.28Å; Y231-L235 PolarHBondContact O-N 3.24Å; M232-L235 PolarHBondContact O-N 3.34Å; M232-L235 HydrophobicContact SD-CD2 4.42Å; K233-L235 VanDerWaalsContact C-N 3.27Å; K233-L235 PolarHBondContact O-N 2.75Å; L235-E238 PolarHBondContact O-N 3.46Å; L235-V239 HydrophobicContact CD1-CG2 4.38Å; L235-V239 HydrophobicContact CG-CG2 4.4Å; L235-V239 WeakPolarHBondContact O-CB 3.34Å; L235-V239 VanDerWaalsContact O-CG2 3.23Å; L235-V239 WeakPolarHBondContact O-CG2 3.44Å; L235-V239 PolarHBondContact O-N 3.33Å; L235-I616 HydrophobicContact CD2-CG2 3.7Å; L235-T617 HydrophobicContact CD1-CG2 4.46Å; L235-I620 HydrophobicContact CB-CD1 4.22Å; L235-I620 HydrophobicContact CD2-CD1 3.61Å; L235-I620 HydrophobicContact CG-CD1 3.61Å
236Y94.3Very high89.4Confident14 Ų1447.4 Ų47.46%0.05526%0.258CS..Hα-helixtrans-57.5-54.7173.5-174.9-76000110.5M232 K233 E238 V239 I240 F261 I620 I623 H624 L654M232-Y236 WeakPolarHBondContact O-CB 3.2Å; M232-Y236 PolarHBondContact O-N 3.33Å; K233-Y236 WeakPolarHBondContact O-CB 3.23Å; K233-Y236 PolarHBondContact O-N 3.22Å; Y236-E238 VanDerWaalsContact C-N 3.29Å; Y236-E238 PolarHBondContact O-N 3.32Å; Y236-V239 PolarHBondContact O-N 3.43Å; Y236-I240 HydrophobicContact CD1-CG1 3.84Å; Y236-I240 HydrophobicContact CE1-CD1 4.32Å; Y236-I240 HydrophobicContact CE1-CG1 3.58Å; Y236-I240 WeakPolarHBondContact O-CG1 3.39Å; Y236-I240 PolarHBondContact O-N 2.97Å; Y236-F261 HydrophobicContact CD1-CE2 4.22Å; Y236-F261 AromaticContact CD1-CZ 3.64Å; Y236-F261 HydrophobicContact CD1-CZ 3.64Å; Y236-F261 HydrophobicContact CE1-CZ 4.13Å; Y236-F261 AromaticContact CG-CZ 3.9Å; Y236-F261 HydrophobicContact CG-CZ 3.9Å; Y236-I620 HydrophobicContact CD2-CG2 3.77Å; Y236-I620 HydrophobicContact CE2-CG2 4.4Å; Y236-I620 HydrophobicContact CG-CG2 4.15Å; Y236-I623 HydrophobicContact CE2-CG2 4.33Å; Y236-H624 HydrophobicContact CE2-CB 4.26Å; Y236-H624 AromaticContact CZ-ND1 3.72Å; Y236-H624 PolarHBondContact OH-ND1 3.22Å; Y236-L654 HydrophobicContact CD2-CD2 4.22Å
237D92.1Very high88.6Confident72 Ų7244.9 Ų44.939%0.38524%0.24SC..Hα-helixtrans-56.9-42.4-178.6-71-26.8000111.4K233 I240 Q241K233-D237 PolarHBondContact O-N 3.25Å; D237-I240 PolarHBondContact O-N 3.45Å; D237-Q241 WeakPolarHBondContact O-CG 3.38Å; D237-Q241 PolarHBondContact O-N 3.34Å
238E92.7Very high86.9Confident67 Ų6745.4 Ų45.431%0.31326%0.258SS..Hα-helixtrans-65.5-45.7177.1-168.770.6-169.300113.2P129 S130 I133 S234 L235 Y236 I240 Q241 S242P129-E238 HydrophobicContact CB-CB 3.78Å; P129-E238 HydrophobicContact CB-CG 3.91Å; S130-E238 WeakPolarHBondContact CB-OE1 3.33Å; S130-E238 VanDerWaalsContact OG-CD 3.23Å; S130-E238 PolarHBondContact OG-OE1 2.97Å; I133-E238 HydrophobicContact CD1-CB 4.36Å; I133-E238 HydrophobicContact CD1-CG 3.84Å; S234-E238 WeakPolarHBondContact O-CB 3.5Å; S234-E238 PolarHBondContact O-N 3.03Å; L235-E238 PolarHBondContact O-N 3.46Å; Y236-E238 VanDerWaalsContact C-N 3.29Å; Y236-E238 PolarHBondContact O-N 3.32Å; E238-I240 VanDerWaalsContact C-N 3.27Å; E238-I240 PolarHBondContact O-N 3.25Å; E238-Q241 PolarHBondContact O-N 2.92Å; E238-S242 PolarHBondContact O-N 2.83Å
239V93Very high84.7Confident1 Ų148.4 Ų48.41%0.00628%0.279CS..Hα-helixtrans-60.3-40177.6169.90000110.5I133 L235 Y236 S242 I243 T617 I620 Q621I133-V239 HydrophobicContact CD1-CB 4.33Å; I133-V239 HydrophobicContact CD1-CG2 3.63Å; I133-V239 HydrophobicContact CG1-CG2 3.74Å; L235-V239 HydrophobicContact CD1-CG2 4.38Å; L235-V239 HydrophobicContact CG-CG2 4.4Å; L235-V239 WeakPolarHBondContact O-CB 3.34Å; L235-V239 VanDerWaalsContact O-CG2 3.23Å; L235-V239 WeakPolarHBondContact O-CG2 3.44Å; L235-V239 PolarHBondContact O-N 3.33Å; Y236-V239 PolarHBondContact O-N 3.43Å; V239-S242 PolarHBondContact O-N 3.13Å; V239-I243 HydrophobicContact CG1-CD1 3.92Å; V239-I243 WeakPolarHBondContact O-CD1 2.92Å; V239-I243 VanDerWaalsContact O-CG1 3.28Å; V239-I243 WeakPolarHBondContact O-CG1 3.42Å; V239-I243 PolarHBondContact O-N 2.94Å; V239-T617 HydrophobicContact CG2-CG2 4.11Å; V239-I620 HydrophobicContact CB-CG2 3.7Å; V239-I620 HydrophobicContact CG1-CB 4.32Å; V239-I620 HydrophobicContact CG1-CG2 3.6Å; V239-I620 HydrophobicContact CG2-CD1 4.34Å; V239-I620 HydrophobicContact CG2-CG2 4.11Å; V239-Q621 HydrophobicContact CG1-CG 3.85Å
240I90.3Very high82.4Confident16 Ų1652.6 Ų52.68%0.08231%0.307CS..Hα-helixtrans-69-39.4178.2-58-35.7000111.2Y236 D237 E238 S242 I243 I244 I620 H624Y236-I240 HydrophobicContact CD1-CG1 3.84Å; Y236-I240 HydrophobicContact CE1-CD1 4.32Å; Y236-I240 HydrophobicContact CE1-CG1 3.58Å; Y236-I240 WeakPolarHBondContact O-CG1 3.39Å; Y236-I240 PolarHBondContact O-N 2.97Å; D237-I240 PolarHBondContact O-N 3.45Å; E238-I240 VanDerWaalsContact C-N 3.27Å; E238-I240 PolarHBondContact O-N 3.25Å; I240-S242 PolarHBondContact O-N 3.12Å; I240-I243 HydrophobicContact CD1-CD1 4.09Å; I240-I243 PolarHBondContact O-N 3.28Å; I240-I244 HydrophobicContact CG2-CD1 3.9Å; I240-I244 VanDerWaalsContact O-CG1 3.3Å; I240-I244 WeakPolarHBondContact O-CG1 3.48Å; I240-I244 PolarHBondContact O-N 3.37Å; I240-I620 HydrophobicContact CD1-CG2 4.47Å; I240-H624 HydrophobicContact CD1-CB 3.57Å
241Q89.4Confident79.8Confident117 Ų11758.8 Ų58.855%0.54734%0.335SS..Hα-helixtrans-60.3-44.2173.2-70.1-64.6-19.800111.9D237 E238 I243 I244 S245D237-Q241 WeakPolarHBondContact O-CG 3.38Å; D237-Q241 PolarHBondContact O-N 3.34Å; E238-Q241 PolarHBondContact O-N 2.92Å; Q241-I243 PolarHBondContact O-N 2.94Å; Q241-I244 PolarHBondContact O-N 3.32Å; Q241-I244 VanDerWaalsContact O-N 3.13Å; Q241-S245 PolarHBondContact O-N 3Å; Q241-S245 PolarHBondContact O-OG 3.47Å
242S88.1Confident77.3Confident26 Ų2662.7 Ų62.718%0.18236%0.363CS..Hα-helixtrans-59.7-41.8175.8177.90000112.5E238 V239 I240 I244 S245 D246E238-S242 PolarHBondContact O-N 2.83Å; V239-S242 PolarHBondContact O-N 3.13Å; I240-S242 PolarHBondContact O-N 3.12Å; S242-I244 VanDerWaalsContact C-N 3.29Å; S242-I244 PolarHBondContact O-N 2.85Å; S242-S245 WeakPolarHBondContact CA-OG 3.24Å; S242-S245 PolarHBondContact O-N 3.29Å; S242-S245 PolarHBondContact O-OG 2.72Å; S242-D246 VanDerWaalsContact O-CG 3.25Å; S242-D246 PolarHBondContact O-N 3.16Å; S242-D246 VanDerWaalsContact O-N 3.15Å
243I83.5Confident74.5Confident20 Ų2068.4 Ų68.410%0.10340%0.403CS..Hα-helixtrans-66.1-32.4177-65.5162.5000111.6V239 I240 Q241 K247 Q621V239-I243 HydrophobicContact CG1-CD1 3.92Å; V239-I243 WeakPolarHBondContact O-CD1 2.92Å; V239-I243 VanDerWaalsContact O-CG1 3.28Å; V239-I243 WeakPolarHBondContact O-CG1 3.42Å; V239-I243 PolarHBondContact O-N 2.94Å; I240-I243 HydrophobicContact CD1-CD1 4.09Å; I240-I243 PolarHBondContact O-N 3.28Å; Q241-I243 PolarHBondContact O-N 2.94Å; I243-K247 HydrophobicContact CG2-CD 4.4Å; I243-K247 WeakPolarHBondContact O-CD 3.45Å; I243-K247 VanDerWaalsContact O-CG 3.31Å; I243-K247 WeakPolarHBondContact O-CG 3.5Å; I243-Q621 HydrophobicContact CD1-CB 4.17Å; I243-Q621 HydrophobicContact CD1-CG 3.8Å
244I82.1Confident72.2Confident63 Ų6369.6 Ų69.632%0.32341%0.412SS..Hα-helixtrans-75.4-42.9178-67.8166.6000110.7I240 Q241 S242 D246 K247I240-I244 HydrophobicContact CG2-CD1 3.9Å; I240-I244 VanDerWaalsContact O-CG1 3.3Å; I240-I244 WeakPolarHBondContact O-CG1 3.48Å; I240-I244 PolarHBondContact O-N 3.37Å; Q241-I244 PolarHBondContact O-N 3.32Å; Q241-I244 VanDerWaalsContact O-N 3.13Å; S242-I244 VanDerWaalsContact C-N 3.29Å; S242-I244 PolarHBondContact O-N 2.85Å; I244-D246 VanDerWaalsContact C-N 3.34Å; I244-D246 PolarHBondContact O-N 2.81Å; I244-K247 PolarHBondContact O-N 2.97Å
245S81.2Confident69.7Low83 Ų8372.1 Ų72.158%0.5843%0.427SS*.Hα-helixtrans-61.6-41.8178.557.30000112.2Q241 S242 K247 G248Q241-S245 PolarHBondContact O-N 3Å; Q241-S245 PolarHBondContact O-OG 3.47Å; S242-S245 WeakPolarHBondContact CA-OG 3.24Å; S242-S245 PolarHBondContact O-N 3.29Å; S242-S245 PolarHBondContact O-OG 2.72Å; S245-K247 PolarHBondContact O-N 3.13Å; S245-G248 PolarHBondContact O-N 3.05Å
246D72.3Confident67.1Low124 Ų12476.1 Ų76.166%0.66346%0.455SS*.Hα-helixtrans-66.1-22.7-179.8-70.1-2.5000112.8S242 I244S242-D246 VanDerWaalsContact O-CG 3.25Å; S242-D246 PolarHBondContact O-N 3.16Å; S242-D246 VanDerWaalsContact O-N 3.15Å; I244-D246 VanDerWaalsContact C-N 3.34Å; I244-D246 PolarHBondContact O-N 2.81Å
247K64.7Low64.9Low91 Ų9179.1 Ų79.140%0.39647%0.469SS..THydrogen-bonded Turntrans-85.2-6.5-179.6-74.5176.4-177.1-178.30114.4I243 I244 S245 S249 M499I243-K247 HydrophobicContact CG2-CD 4.4Å; I243-K247 WeakPolarHBondContact O-CD 3.45Å; I243-K247 VanDerWaalsContact O-CG 3.31Å; I243-K247 WeakPolarHBondContact O-CG 3.5Å; I244-K247 PolarHBondContact O-N 2.97Å; S245-K247 PolarHBondContact O-N 3.13Å; K247-S249 PolarHBondContact O-N 2.95Å; K247-M499 PolarHBondContact NZ-SD 2.85Å
248G53Low62.5Low63 Ų6382.6 Ų82.665%0.64948%0.483SS*.THydrogen-bonded Turntrans61.88.5174.700000116.1S245 T250S245-G248 PolarHBondContact O-N 3.05Å; G248-T250 PolarHBondContact O-N 3.42Å
249S47.8Very low60.4Low65 Ų6584.8 Ų84.846%0.45550%0.497SS..  trans-79.893.7-171.861.10000111.8K247K247-S249 PolarHBondContact O-N 2.95Å
250T43Very low58.4Low121 Ų12186.8 Ų86.874%0.74251%0.506SS*.  trans-74.6138.8159.555.20000109.5G248G248-T250 PolarHBondContact O-N 3.42Å
251N38.4Very low56.7Low165 Ų16588 Ų8888%0.88251%0.51SS*.  trans73.745172-49.2-31000118.8
252S41.3Very low55.3Low84 Ų8488 Ų8859%0.58751%0.514SS*.  trans-105.9125.314865.50000110.2I254S252-I254 PolarHBondContact O-N 2.93Å
253S36.9Very low54.4Low120 Ų12089.5 Ų89.584%0.83952%0.518SS*.  trans-72100.4176.2530000109.3
254I44.2Very low54.3Low103 Ų10389.2 Ų89.253%0.52852%0.516SS..  trans-55.3124.3-177.8-61.4166.3000110.2S252 S256S252-I254 PolarHBondContact O-N 2.93Å; I254-S256 PolarHBondContact O-N 3.34Å
255P40Very low54.8Low100 Ų10086.3 Ų86.365%0.64950%0.502SS*.  trans-62120.6162.6-12.927.4000107.3H257P255-H257 PolarHBondContact O-CD2 3.12Å; P255-H257 PolarHBondContact O-N 2.89Å
256S40Very low55.3Low84 Ų8482.4 Ų82.459%0.58747%0.474SS*.  trans-54.397.9-172.454.30000112.4I254 H258I254-S256 PolarHBondContact O-N 3.34Å; S256-H258 PolarHBondContact O-N 3.28Å
257H48.8Very low56.4Low77 Ų7776.5 Ų76.536%0.35644%0.443SS..G310 helixtrans-67.5-6.3-171.6-77.6-75.5000114.4P255 N259 H260P255-H257 PolarHBondContact O-CD2 3.12Å; P255-H257 PolarHBondContact O-N 2.89Å; H257-N259 PolarHBondContact O-N 3.21Å; H257-H260 PolarHBondContact O-N 3.46Å
258H42.7Very low57.9Low144 Ų14472.3 Ų72.367%0.66743%0.425SS*.G310 helixtrans-50.3-24.5177.2-74.6-47.7000115.3S256 H260S256-H258 PolarHBondContact O-N 3.28Å; H258-H260 VanDerWaalsContact C-N 3.31Å; H258-H260 PolarHBondContact O-N 3.29Å
259N47.7Very low60Low113 Ų11369.4 Ų69.460%0.60439%0.394SS*.G310 helixtrans-71.3-16.6-177.7-75.1-6.9000115H257 N262H257-N259 PolarHBondContact O-N 3.21Å; N259-N262 PolarHBondContact O-N 3.27Å
260H51.8Low62.2Low44 Ų4466.4 Ų66.420%0.20437%0.373CS..G310 helixtrans-69.3-36.8177.9-8869.1000112.7H257 H258 N262 K263 H627H257-H260 PolarHBondContact O-N 3.46Å; H258-H260 VanDerWaalsContact C-N 3.31Å; H258-H260 PolarHBondContact O-N 3.29Å; H260-N262 PolarHBondContact O-N 3.07Å; H260-K263 PolarHBondContact CD2-NZ 3.22Å; H260-K263 VanDerWaalsContact CD2-NZ 3.33Å; H260-K263 PolarHBondContact NE2-NZ 2.81Å; H260-K263 VanDerWaalsContact NE2-NZ 3.1Å; H260-K263 WeakPolarHBondContact O-CB 3.42Å; H260-K263 WeakPolarHBondContact O-CG 3.11Å; H260-K263 PolarHBondContact O-N 3.32Å; H260-K263 VanDerWaalsContact O-N 3.16Å; H260-H627 AromaticContact CD2-CE1 3.91Å; H260-H627 AromaticContact CD2-CG 3.58Å; H260-H627 AromaticContact CD2-ND1 3.47Å; H260-H627 PolarHBondContact CD2-ND1 3.26Å; H260-H627 AromaticContact NE2-CG 3.71Å
261F54.5Low64.6Low40 Ų4061.3 Ų61.318%0.17534%0.341CS..G310 helixtrans-76.1-3.2178-63.3-64.7000114.8K233 Y236 G653K233-F261 HydrophobicContact CB-CE1 4.39Å; K233-F261 HydrophobicContact CD-CD1 4.22Å; K233-F261 HydrophobicContact CD-CD2 4.41Å; K233-F261 HydrophobicContact CD-CE1 4.44Å; K233-F261 HydrophobicContact CD-CG 4.2Å; K233-F261 HydrophobicContact CG-CD1 4.21Å; K233-F261 HydrophobicContact CG-CD2 4.46Å; K233-F261 HydrophobicContact CG-CE1 3.93Å; K233-F261 HydrophobicContact CG-CE2 4.16Å; K233-F261 HydrophobicContact CG-CG 4.47Å; K233-F261 HydrophobicContact CG-CZ 3.9Å; Y236-F261 HydrophobicContact CD1-CE2 4.22Å; Y236-F261 AromaticContact CD1-CZ 3.64Å; Y236-F261 HydrophobicContact CD1-CZ 3.64Å; Y236-F261 HydrophobicContact CE1-CZ 4.13Å; Y236-F261 AromaticContact CG-CZ 3.9Å; Y236-F261 HydrophobicContact CG-CZ 3.9Å; F261-G653 VanDerWaalsContact CE1-O 3.31Å; F261-G653 WeakPolarHBondContact CE1-O 3.39Å
262N58.9Low67.1Low117 Ų11753.5 Ų53.563%0.62630%0.299SS*.G310 helixtrans-91-2.6170.2-70.5-13.8000112.4N259 H260N259-N262 PolarHBondContact O-N 3.27Å; H260-N262 PolarHBondContact O-N 3.07Å
263K69.3Low69.4Low59 Ų5949.5 Ų49.526%0.25727%0.271SS..SBendtrans-75.1146.7172.6-64.3176.7171.6-177.50110.6H260 D657H260-K263 PolarHBondContact CD2-NZ 3.22Å; H260-K263 VanDerWaalsContact CD2-NZ 3.33Å; H260-K263 PolarHBondContact NE2-NZ 2.81Å; H260-K263 VanDerWaalsContact NE2-NZ 3.1Å; H260-K263 WeakPolarHBondContact O-CB 3.42Å; H260-K263 WeakPolarHBondContact O-CG 3.11Å; H260-K263 PolarHBondContact O-N 3.32Å; H260-K263 VanDerWaalsContact O-N 3.16Å; K263-D657 WeakPolarHBondContact CD-OD1 3.33Å; K263-D657 IonicContact NZ-OD1 3.44Å; K263-D657 PolarHBondContact NZ-OD1 2.83Å
264I82.3Confident71.5Confident14 Ų1444 Ų447%0.07223%0.233CC..PPolyproline II helixtrans-92117.7171.7-63.2164.5000107.7C266 W676 Y680 W693 K694 L695I264-C266 PolarHBondContact O-N 3.02Å; I264-C266 VanDerWaalsContact O-N 3.11Å; I264-W676 HydrophobicContact CG2-CZ2 4.04Å; I264-Y680 HydrophobicContact CB-CD1 4.45Å; I264-Y680 HydrophobicContact CB-CE1 3.98Å; I264-Y680 HydrophobicContact CG1-CD1 3.91Å; I264-Y680 HydrophobicContact CG1-CE1 3.69Å; I264-Y680 HydrophobicContact CG2-CD1 4.1Å; I264-Y680 HydrophobicContact CG2-CD2 4.11Å; I264-Y680 HydrophobicContact CG2-CE1 3.86Å; I264-Y680 HydrophobicContact CG2-CE2 3.89Å; I264-Y680 HydrophobicContact CG2-CG 4.23Å; I264-W693 HydrophobicContact CD1-CE3 3.48Å; I264-W693 VanDerWaalsContact CD1-CE3 3.48Å; I264-W693 HydrophobicContact CD1-CH2 4.19Å; I264-W693 HydrophobicContact CD1-CZ3 3.26Å; I264-W693 HydrophobicContact CG1-CZ3 4.15Å; I264-K694 WeakPolarHBondContact CD1-O 3.29Å; I264-L695 WeakPolarHBondContact CB-O 2.87Å; I264-L695 HydrophobicContact CD1-CD2 4.44Å; I264-L695 HydrophobicContact CG2-CD2 4.08Å
265T91.2Very high72.4Confident2 Ų239.2 Ų39.21%0.01221%0.208CC..PPolyproline II helixtrans-58.9116.2167.5-60.30000108.3A651 I652 I656 I659 W676 Y680T265-A651 HydrophobicContact CG2-CB 3.82Å; T265-A651 PolarHBondContact OG1-O 3.16Å; T265-I652 WeakPolarHBondContact OG1-CA 3.4Å; T265-I656 VanDerWaalsContact CA-O 3.24Å; T265-I656 WeakPolarHBondContact CA-O 3.47Å; T265-I656 VanDerWaalsContact CB-O 3.23Å; T265-I656 WeakPolarHBondContact CB-O 3.24Å; T265-I656 WeakPolarHBondContact CG2-O 3.49Å; T265-I656 PolarHBondContact OG1-O 3.23Å; T265-I659 HydrophobicContact CG2-CB 3.91Å; T265-I659 HydrophobicContact CG2-CG2 3.81Å; T265-W676 PolarHBondContact O-NE1 3.18Å; T265-Y680 PolarHBondContact N-OH 3.2Å
266C91.9Very high73.1Confident0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-100.4124.7-166.9-176.20000111.6I264 I268 P296 D657 F658 I659 Y696I264-C266 PolarHBondContact O-N 3.02Å; I264-C266 VanDerWaalsContact O-N 3.11Å; C266-I268 PolarHBondContact O-N 3.19Å; C266-P296 WeakPolarHBondContact SG-CG 3.37Å; C266-D657 WeakPolarHBondContact CB-O 3.25Å; C266-D657 PolarHBondContact N-O 2.88Å; C266-F658 HydrophobicContact CB-CD1 3.58Å; C266-F658 HydrophobicContact CB-CE1 3.76Å; C266-F658 HydrophobicContact CB-CG 4.42Å; C266-F658 CarbonylContact O-C 3.57Å; C266-F658 WeakPolarHBondContact O-CA 3.45Å; C266-I659 PolarHBondContact O-N 2.89Å; C266-Y696 HydrophobicContact CB-CD1 4.11Å
267P96Very high73.1Confident1 Ų134.8 Ų34.81%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-79.5122.3-174.530.8-33.3000111.5I269 P296 L305 I659 L661 L673 W676P267-I269 HydrophobicContact CB-CD1 4.14Å; P267-P296 WeakPolarHBondContact O-CD 3.32Å; P267-L305 HydrophobicContact CG-CD2 3.75Å; P267-I659 CarbonylContact C-O 3.49Å; P267-I659 WeakPolarHBondContact CA-O 3.33Å; P267-I659 HydrophobicContact CB-CG2 4.13Å; P267-L661 HydrophobicContact CB-CD1 4.27Å; P267-L673 HydrophobicContact CB-CD1 4.14Å; P267-L673 HydrophobicContact CG-CD1 4.07Å; P267-W676 VanDerWaalsContact CD-CZ2 3.45Å; P267-W676 HydrophobicContact CG-CD2 4Å; P267-W676 HydrophobicContact CG-CE3 4.1Å; P267-W676 HydrophobicContact CG-CH2 4.08Å; P267-W676 HydrophobicContact CG-CZ2 3.94Å; P267-W676 HydrophobicContact CG-CZ3 4.15Å
268I96.2Very high72.6Confident3 Ų337 Ų372%0.01519%0.192CC..EExtended strand (participates in β ladder)trans-95.2129.3168.4-59.4179000107.3C266 L293 I295 L412 I634 F658 I659 K660 L661C266-I268 PolarHBondContact O-N 3.19Å; I268-L293 HydrophobicContact CG2-CB 3.74Å; I268-L293 HydrophobicContact CG2-CD1 3.86Å; I268-L293 HydrophobicContact CG2-CG 4.32Å; I268-I295 HydrophobicContact CD1-CG1 4.28Å; I268-I295 HydrophobicContact CG1-CG1 4.14Å; I268-I295 HydrophobicContact CG2-CG1 3.99Å; I268-L412 HydrophobicContact CD1-CD2 4.22Å; I268-I634 HydrophobicContact CD1-CD1 4.38Å; I268-I634 HydrophobicContact CD1-CG2 4.22Å; I268-F658 HydrophobicContact CD1-CB 3.77Å; I268-F658 HydrophobicContact CD1-CD1 3.76Å; I268-F658 HydrophobicContact CD1-CG 3.89Å; I268-F658 HydrophobicContact CG1-CB 4.15Å; I268-F658 HydrophobicContact CG1-CD1 3.79Å; I268-F658 HydrophobicContact CG1-CG 4.3Å; I268-I659 PolarHBondContact N-O 3.38Å; I268-K660 HydrophobicContact CB-CB 4.38Å; I268-K660 CarbonylContact O-C 3.6Å; I268-K660 WeakPolarHBondContact O-CA 3.48Å; I268-L661 PolarHBondContact O-N 2.7Å
269I96.6Very high72.3Confident2 Ų232.7 Ų32.71%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-111.9121.4-172.3-51.3-56.8000110.9P267 I271 L293 L294 I309 L661 L664 L673P267-I269 HydrophobicContact CB-CD1 4.14Å; I269-I271 HydrophobicContact CB-CD1 4.38Å; I269-I271 HydrophobicContact CG2-CD1 3.74Å; I269-I271 PolarHBondContact O-N 2.88Å; I269-L293 CarbonylContact O-C 3.46Å; I269-L293 VanDerWaalsContact O-CA 3.28Å; I269-L293 WeakPolarHBondContact O-CA 3.44Å; I269-L294 PolarHBondContact N-O 3.26Å; I269-L294 PolarHBondContact O-N 3.43Å; I269-I309 HydrophobicContact CB-CD1 4.48Å; I269-I309 HydrophobicContact CG1-CD1 3.88Å; I269-I309 HydrophobicContact CG1-CG1 4.48Å; I269-L661 HydrophobicContact CD1-CB 3.99Å; I269-L661 HydrophobicContact CD1-CD1 3.82Å; I269-L661 HydrophobicContact CD1-CG 4.21Å; I269-L664 HydrophobicContact CD1-CD1 4.37Å; I269-L664 HydrophobicContact CG2-CD1 3.61Å; I269-L664 HydrophobicContact CG2-CG 3.8Å; I269-L673 HydrophobicContact CD1-CD1 4.35Å
270T95.3Very high71.8Confident1 Ų131.7 Ų31.71%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-68.8116.3166.4-60.10000110.4E291 L293 A336 K660 L661 G663T270-E291 HydrophobicContact CG2-CB 4.07Å; T270-E291 HydrophobicContact CG2-CG 4.17Å; T270-E291 WeakPolarHBondContact CG2-OE2 3.38Å; T270-E291 PolarHBondContact OG1-OE2 3.44Å; T270-L293 HydrophobicContact CG2-CD2 4.26Å; T270-L293 WeakPolarHBondContact OG1-CD2 3.34Å; T270-A336 HydrophobicContact CG2-CB 3.82Å; T270-K660 WeakPolarHBondContact OG1-CE 3.3Å; T270-L661 PolarHBondContact N-O 3.46Å; T270-G663 WeakPolarHBondContact O-CA 3.27Å
271I93.4Very high71.6Confident15 Ų1534 Ų348%0.07722%0.217CC..EExtended strand (participates in β ladder)trans-95.4-44.2177.9-62-57.6000111.5I269 I292 L294 I312 L316 S337 L351I269-I271 HydrophobicContact CB-CD1 4.38Å; I269-I271 HydrophobicContact CG2-CD1 3.74Å; I269-I271 PolarHBondContact O-N 2.88Å; I271-I292 PolarHBondContact N-O 2.9Å; I271-L294 HydrophobicContact CD1-CD1 3.89Å; I271-L294 HydrophobicContact CD1-CG 4.35Å; I271-L294 HydrophobicContact CG1-CB 4.2Å; I271-L294 HydrophobicContact CG1-CD1 3.65Å; I271-L294 HydrophobicContact CG1-CG 3.64Å; I271-I312 HydrophobicContact CD1-CG2 4.32Å; I271-L316 HydrophobicContact CG2-CD2 3.82Å; I271-S337 PolarHBondContact O-N 3.39Å; I271-L351 HydrophobicContact CG2-CD1 4.49Å
272F91.1Very high71.4Confident0 Ų037.4 Ų37.40%025%0.245CC..EExtended strand (participates in β ladder)trans-127.7136.3-175-64.5-63.7000111.9E291 I292 L316 L320 S337 V339 I347 L350 L351F272-E291 CarbonylContact O-C 3.56Å; F272-E291 VanDerWaalsContact O-CA 3.23Å; F272-E291 WeakPolarHBondContact O-CA 3.27Å; F272-I292 HydrophobicContact CB-CB 4.31Å; F272-I292 HydrophobicContact CD2-CB 4.37Å; F272-I292 PolarHBondContact N-O 3.41Å; F272-I292 PolarHBondContact O-N 3.35Å; F272-L316 HydrophobicContact CE1-CD1 3.5Å; F272-L316 VanDerWaalsContact CE1-CD1 3.5Å; F272-L316 HydrophobicContact CZ-CD1 3.42Å; F272-L316 VanDerWaalsContact CZ-CD1 3.42Å; F272-L320 HydrophobicContact CE1-CD2 4.32Å; F272-S337 WeakPolarHBondContact CA-O 3.28Å; F272-V339 HydrophobicContact CD1-CB 4.46Å; F272-V339 HydrophobicContact CD1-CG2 3.4Å; F272-V339 VanDerWaalsContact CD1-CG2 3.4Å; F272-V339 HydrophobicContact CE1-CG2 3.48Å; F272-V339 VanDerWaalsContact CE1-CG2 3.48Å; F272-V339 HydrophobicContact CG-CG2 4.41Å; F272-I347 HydrophobicContact CB-CD1 4.5Å; F272-I347 HydrophobicContact CB-CG1 4.43Å; F272-I347 HydrophobicContact CD1-CD1 3.94Å; F272-I347 HydrophobicContact CD2-CD1 3.58Å; F272-I347 HydrophobicContact CD2-CG1 3.72Å; F272-I347 HydrophobicContact CE1-CD1 3.88Å; F272-I347 HydrophobicContact CE2-CD1 3.55Å; F272-I347 HydrophobicContact CE2-CG1 4.06Å; F272-I347 HydrophobicContact CG-CD1 3.77Å; F272-I347 HydrophobicContact CG-CG1 4.07Å; F272-I347 HydrophobicContact CZ-CD1 3.69Å; F272-L350 HydrophobicContact CZ-CD2 4.28Å; F272-L351 HydrophobicContact CE2-CB 4.27Å; F272-L351 HydrophobicContact CE2-CD1 4.26Å
273N87.8Confident71.6Confident1 Ų132.9 Ų32.91%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-99.8129.1158.4-8124.7000107.9E276 K290 C332 N334 A336 S337 S338 V339N273-E276 PolarHBondContact ND2-OE2 3.17Å; N273-K290 WeakPolarHBondContact CA-O 3.18Å; N273-C332 HydrophobicContact CB-CB 4.21Å; N273-C332 WeakPolarHBondContact CB-SG 3.43Å; N273-N334 VanDerWaalsContact ND2-CG 3.33Å; N273-N334 PolarHBondContact ND2-ND2 2.94Å; N273-N334 PolarHBondContact ND2-OD1 3.26Å; N273-N334 PolarHBondContact OD1-ND2 3.41Å; N273-A336 HydrophobicContact CB-CB 4.24Å; N273-A336 VanDerWaalsContact OD1-CB 3.25Å; N273-A336 WeakPolarHBondContact OD1-CB 3.17Å; N273-S337 PolarHBondContact N-O 3.42Å; N273-S337 VanDerWaalsContact N-O 3.09Å; N273-S338 WeakPolarHBondContact O-CA 3.07Å; N273-V339 PolarHBondContact O-N 2.95Å
274C81.2Confident71.7Confident4 Ų430.6 Ų30.63%0.02722%0.216CC..SBendtrans-104.3-12.9-170.7-68.40000114.1L289 K290 I341C274-L289 HydrophobicContact CB-CB 3.66Å; C274-L289 WeakPolarHBondContact CB-O 3.26Å; C274-K290 PolarHBondContact N-O 2.97Å; C274-I341 HydrophobicContact CB-CD1 3.99Å
275S63.9Low71.8Confident2 Ų235 Ų351%0.01424%0.235CC..SBendtrans-143.616.4-169.955.50000115.4L289 R374S275-L289 WeakPolarHBondContact CB-O 3.25Å; S275-L289 PolarHBondContact OG-O 3.45Å; S275-R374 VanDerWaalsContact O-CZ 3.27Å; S275-R374 PolarHBondContact O-NH1 3.13Å; S275-R374 PolarHBondContact O-NH2 2.87Å; S275-R374 PolarHBondContact OG-NH1 2.83Å
276E54.3Low71.6Confident55 Ų5535 Ų3526%0.25724%0.235SC..  trans-93.399.3168.6-78172.1-178.600110.5N273 C332N273-E276 PolarHBondContact ND2-OE2 3.17Å; E276-C332 WeakPolarHBondContact OE2-CB 3.46Å; E276-C332 PolarHBondContact OE2-SG 3.14Å
277C40.5Very low71.2Confident37 Ų3739.1 Ų39.125%0.2525%0.25CS..  trans-121.992.1158-59.70000107.1
278T37.6Very low70.7Confident122 Ų12239.1 Ų39.175%0.74825%0.25SC*.  trans-72.4125.716341.50000107.8
279G37.2Very low70.3Confident54 Ų5439 Ų3956%0.55725%0.249SC*.SBendtrans83.7148.7-169.800000113.6L281G279-L281 PolarHBondContact O-N 3.3Å
280G36.8Very low69.9Low92 Ų9239.1 Ų39.195%0.94825%0.25SC*.SBendtrans-7229.1-164.100000117.8
281L48Very low69.7Low94 Ų9439.1 Ų39.149%0.49225%0.25SC..SBendtrans-70.3134.6164.9-70.795000108.8G279 S283G279-L281 PolarHBondContact O-N 3.3Å; L281-S283 PolarHBondContact O-N 3.06Å
282S50.3Low69.8Low110 Ų11038.4 Ų38.477%0.76925%0.246SC*.  trans-65.488.3-172.81780000112M340S282-M340 WeakPolarHBondContact O-CE 3.37Å
283S62.6Low70Confident22 Ų2238.4 Ų38.415%0.15425%0.246CC..  trans-42.1141.1165.2-160.90000110.5L281 M340L281-S283 PolarHBondContact O-N 3.06Å; S283-M340 VanDerWaalsContact CA-CE 3.5Å
284G72.4Confident70.5Confident11 Ų1138.3 Ų38.311%0.11325%0.246CC..  trans-57.7160.4177.800000111.3C286 I341G284-C286 PolarHBondContact O-N 2.94Å; G284-C286 VanDerWaalsContact O-N 3.13Å; G284-I341 CarbonylContact C-O 3.56Å; G284-I341 VanDerWaalsContact CA-O 3.24Å; G284-I341 WeakPolarHBondContact CA-O 3.42Å
285K83.6Confident71.1Confident108 Ų10838.2 Ų38.247%0.4725%0.245SC..SBendtrans-65.4-20.7-173.5-63.5172.7-161.8129.10113.3R287 I341 D342 T386 T387K285-R287 PolarHBondContact O-N 2.93Å; K285-I341 PolarHBondContact N-O 3.29Å; K285-I341 VanDerWaalsContact N-O 3.14Å; K285-D342 HydrophobicContact CB-CB 4.28Å; K285-D342 WeakPolarHBondContact CB-OD1 3.39Å; K285-D342 VanDerWaalsContact CG-OD1 3.22Å; K285-D342 WeakPolarHBondContact CG-OD1 3.42Å; K285-D342 PolarHBondContact N-OD1 3.32Å; K285-D342 IonicContact NZ-OD1 2.64Å; K285-D342 IonicContact NZ-OD2 3.53Å; K285-D342 PolarHBondContact NZ-OD2 3.5Å; K285-T386 HydrophobicContact CB-CG2 3.61Å; K285-T386 CarbonylContact O-C 3.56Å; K285-T386 VanDerWaalsContact O-CA 3.3Å; K285-T386 WeakPolarHBondContact O-CA 3.37Å; K285-T387 PolarHBondContact O-N 3.47Å; K285-T387 PolarHBondContact O-OG1 3.31Å; K285-T387 VanDerWaalsContact O-OG1 3.06Å
286C86.8Confident72.5Confident1 Ų138.1 Ų38.11%0.00724%0.244CC..BIsolated β-bridgetrans-64.3125.5176.6-167.60000110.7G284 I341 D342G284-C286 PolarHBondContact O-N 2.94Å; G284-C286 VanDerWaalsContact O-N 3.13Å; C286-I341 HydrophobicContact CB-CD1 4.02Å; C286-I341 HydrophobicContact CB-CG1 3.8Å; C286-I341 WeakPolarHBondContact CB-O 3.48Å; C286-I341 PolarHBondContact N-O 3.07Å; C286-D342 PolarHBondContact N-O 3.34Å
287R83.8Confident74.2Confident87 Ų8737 Ų3733%0.32824%0.239SC..  trans-109.1-24.9171.6-55.6-59.6-167.9163.56.1112K285 L289 I375 E384 I385 T387K285-R287 PolarHBondContact O-N 2.93Å; R287-L289 PolarHBondContact O-N 2.81Å; R287-I375 HydrophobicContact CB-CG2 3.67Å; R287-I375 WeakPolarHBondContact O-CG2 3.48Å; R287-E384 WeakPolarHBondContact CB-O 2.99Å; R287-I385 PolarHBondContact N-O 3.5Å; R287-T387 PolarHBondContact NE-OG1 2.82Å
288F84.5Confident76.3Confident0 Ų035.3 Ų35.30%023%0.227CC..SBendtrans-55.1-46.9-172.8171.2-113.3000115.3P344 I370 I375 I385 L396 Y399 Y400 L403F288-P344 HydrophobicContact CD1-CB 3.79Å; F288-P344 HydrophobicContact CD1-CG 3.74Å; F288-P344 HydrophobicContact CE1-CB 4.04Å; F288-P344 HydrophobicContact CE1-CG 4Å; F288-I370 HydrophobicContact CD2-CG1 4.38Å; F288-I370 HydrophobicContact CD2-CG2 4.48Å; F288-I370 HydrophobicContact CE2-CG1 4.02Å; F288-I370 HydrophobicContact CZ-CG1 4.19Å; F288-I370 WeakPolarHBondContact O-CG2 3.42Å; F288-I375 HydrophobicContact CD2-CD1 4.34Å; F288-I385 HydrophobicContact CB-CB 4.24Å; F288-I385 HydrophobicContact CB-CG2 3.62Å; F288-I385 WeakPolarHBondContact CB-O 3.47Å; F288-I385 HydrophobicContact CD1-CG2 4.46Å; F288-I385 HydrophobicContact CD2-CG1 4.37Å; F288-I385 HydrophobicContact CD2-CG2 4.15Å; F288-I385 HydrophobicContact CG-CG2 3.87Å; F288-I385 PolarHBondContact N-O 3.1Å; F288-L396 HydrophobicContact CE2-CD1 4.04Å; F288-Y399 HydrophobicContact CD1-CE1 4.47Å; F288-Y399 HydrophobicContact CE1-CE1 4.09Å; F288-Y399 HydrophobicContact CE2-CD1 4.47Å; F288-Y399 HydrophobicContact CE2-CE1 4.38Å; F288-Y399 HydrophobicContact CZ-CD1 4.36Å; F288-Y399 HydrophobicContact CZ-CE1 4.02Å; F288-Y400 AromaticContact CE2-CE1 3.64Å; F288-Y400 HydrophobicContact CE2-CE1 3.64Å; F288-Y400 AromaticContact CE2-CZ 3.65Å; F288-Y400 WeakPolarHBondContact CE2-OH 3.28Å; F288-Y400 HydrophobicContact CZ-CD1 4.17Å; F288-Y400 AromaticContact CZ-CE1 3.47Å; F288-Y400 HydrophobicContact CZ-CE1 3.47Å; F288-Y400 VanDerWaalsContact CZ-CE1 3.47Å; F288-L403 HydrophobicContact CE1-CD2 4.03Å; F288-L403 HydrophobicContact CZ-CD2 4.22Å
289L89Confident78.7Confident0 Ų035.2 Ų35.20%021%0.214CC..EExtended strand (participates in β ladder)trans-88133.2-179.4-65.6178.4000111.7C274 S275 R287 I292 P344 I347 L368 I370C274-L289 HydrophobicContact CB-CB 3.66Å; C274-L289 WeakPolarHBondContact CB-O 3.26Å; S275-L289 WeakPolarHBondContact CB-O 3.25Å; S275-L289 PolarHBondContact OG-O 3.45Å; R287-L289 PolarHBondContact O-N 2.81Å; L289-I292 HydrophobicContact CD1-CD1 3.72Å; L289-I292 HydrophobicContact CD1-CG1 3.97Å; L289-P344 HydrophobicContact CD1-CB 3.55Å; L289-P344 HydrophobicContact CG-CB 3.93Å; L289-I347 HydrophobicContact CD1-CG2 3.75Å; L289-L368 HydrophobicContact CD2-CB 4.03Å; L289-L368 HydrophobicContact CD2-CD1 4.19Å; L289-L368 HydrophobicContact CD2-CD2 4Å; L289-L368 HydrophobicContact CD2-CG 4.3Å; L289-I370 HydrophobicContact CD2-CG1 4.46Å
290K87.5Confident81.2Confident6 Ų632.9 Ų32.93%0.02619%0.189CC..EExtended strand (participates in β ladder)trans-87.9-58.9163.3-170.7-152176-154.20109Y95 N273 C274 Y369 L371 D638Y95-K290 WeakPolarHBondContact OH-CE 3.49Å; Y95-K290 PolarHBondContact OH-NZ 2.98Å; N273-K290 WeakPolarHBondContact CA-O 3.18Å; C274-K290 PolarHBondContact N-O 2.97Å; K290-Y369 WeakPolarHBondContact CA-O 3.41Å; K290-Y369 VanDerWaalsContact CB-O 3.29Å; K290-Y369 WeakPolarHBondContact CB-O 3.31Å; K290-Y369 HydrophobicContact CD-CD1 3.83Å; K290-Y369 HydrophobicContact CD-CD2 4.22Å; K290-Y369 HydrophobicContact CD-CE1 3.83Å; K290-Y369 HydrophobicContact CD-CE2 4.18Å; K290-Y369 HydrophobicContact CD-CG 4.02Å; K290-Y369 PolarHBondContact N-O 2.88Å; K290-L371 HydrophobicContact CB-CB 4.36Å; K290-D638 IonicContact NZ-OD2 3.6Å
291E92.4Very high83.6Confident0 Ų030.8 Ų30.80%016%0.158CC..EExtended strand (participates in β ladder)trans-137.5153.4-176.1-53.8174.3-133.200112.2T270 F272 L293 Y369 K660T270-E291 HydrophobicContact CG2-CB 4.07Å; T270-E291 HydrophobicContact CG2-CG 4.17Å; T270-E291 WeakPolarHBondContact CG2-OE2 3.38Å; T270-E291 PolarHBondContact OG1-OE2 3.44Å; F272-E291 CarbonylContact O-C 3.56Å; F272-E291 VanDerWaalsContact O-CA 3.23Å; F272-E291 WeakPolarHBondContact O-CA 3.27Å; E291-L293 HydrophobicContact CB-CD2 4.03Å; E291-Y369 HydrophobicContact CB-CD1 4.49Å; E291-Y369 HydrophobicContact CG-CD1 4.3Å; E291-Y369 PolarHBondContact N-O 2.88Å; E291-Y369 VanDerWaalsContact N-O 3.14Å; E291-Y369 PolarHBondContact O-N 3.11Å; E291-Y369 VanDerWaalsContact OE1-CD1 3.29Å; E291-Y369 WeakPolarHBondContact OE1-CD1 3.49Å; E291-K660 IonicContact OE1-NZ 3.88Å; E291-K660 PolarHBondContact OE1-NZ 3.18Å; E291-K660 WeakPolarHBondContact OE2-CE 3.03Å; E291-K660 IonicContact OE2-NZ 2.8Å; E291-K660 PolarHBondContact OE2-NZ 3.45Å
292I94.4Very high85.6Confident0 Ų026.3 Ų26.30%013%0.134CC..EExtended strand (participates in β ladder)trans-116.4132.2164.1-66.9168.9000109.7I271 F272 L289 I347 L351 I366 L368I271-I292 PolarHBondContact N-O 2.9Å; F272-I292 HydrophobicContact CB-CB 4.31Å; F272-I292 HydrophobicContact CD2-CB 4.37Å; F272-I292 PolarHBondContact N-O 3.41Å; F272-I292 PolarHBondContact O-N 3.35Å; L289-I292 HydrophobicContact CD1-CD1 3.72Å; L289-I292 HydrophobicContact CD1-CG1 3.97Å; I292-I347 HydrophobicContact CD1-CB 3.91Å; I292-I347 HydrophobicContact CD1-CG1 3.47Å; I292-I347 VanDerWaalsContact CD1-CG1 3.47Å; I292-I347 HydrophobicContact CD1-CG2 3.27Å; I292-L351 HydrophobicContact CG2-CD2 3.53Å; I292-I366 HydrophobicContact CG2-CG2 3.89Å; I292-L368 HydrophobicContact CG1-CD2 3.96Å
293L96Very high87.6Confident0 Ų026.9 Ų26.90%012%0.123CC..EExtended strand (participates in β ladder)trans-113.3143.5-172.9-45.5-176.7000110I268 I269 T270 E291 I366 G367 L412 I414 K660I268-L293 HydrophobicContact CG2-CB 3.74Å; I268-L293 HydrophobicContact CG2-CD1 3.86Å; I268-L293 HydrophobicContact CG2-CG 4.32Å; I269-L293 CarbonylContact O-C 3.46Å; I269-L293 VanDerWaalsContact O-CA 3.28Å; I269-L293 WeakPolarHBondContact O-CA 3.44Å; T270-L293 HydrophobicContact CG2-CD2 4.26Å; T270-L293 WeakPolarHBondContact OG1-CD2 3.34Å; E291-L293 HydrophobicContact CB-CD2 4.03Å; L293-I366 WeakPolarHBondContact O-CA 3.28Å; L293-G367 PolarHBondContact N-O 2.75Å; L293-G367 PolarHBondContact O-N 3.3Å; L293-L412 HydrophobicContact CD1-CD2 4.14Å; L293-I414 HydrophobicContact CD1-CD1 3.41Å; L293-I414 VanDerWaalsContact CD1-CD1 3.41Å; L293-K660 HydrophobicContact CD1-CD 4.08Å; L293-K660 HydrophobicContact CD2-CD 4.42Å
294L96.9Very high89.1Confident0 Ų030.1 Ų30.10%014%0.135CC..EExtended strand (participates in β ladder)trans-99.4131.9161.4-74.3178.8000109.6I269 I271 I312 L351 L355 F364I269-L294 PolarHBondContact N-O 3.26Å; I269-L294 PolarHBondContact O-N 3.43Å; I271-L294 HydrophobicContact CD1-CD1 3.89Å; I271-L294 HydrophobicContact CD1-CG 4.35Å; I271-L294 HydrophobicContact CG1-CB 4.2Å; I271-L294 HydrophobicContact CG1-CD1 3.65Å; I271-L294 HydrophobicContact CG1-CG 3.64Å; L294-I312 HydrophobicContact CD1-CD1 3.85Å; L294-I312 HydrophobicContact CD1-CG2 4.17Å; L294-L351 HydrophobicContact CD1-CD1 4.45Å; L294-L351 HydrophobicContact CD2-CD1 4.15Å; L294-L351 HydrophobicContact CD2-CD2 3.92Å; L294-L351 HydrophobicContact CD2-CG 4.29Å; L294-L351 HydrophobicContact CG-CD1 4.48Å; L294-L355 HydrophobicContact CD1-CD2 4.5Å; L294-L355 HydrophobicContact CD2-CD1 4.21Å; L294-F364 HydrophobicContact CB-CD1 3.9Å; L294-F364 HydrophobicContact CB-CG 4.45Å; L294-F364 HydrophobicContact CD1-CD1 4.35Å; L294-F364 HydrophobicContact CD1-CG 4.41Å; L294-F364 HydrophobicContact CD2-CB 3.81Å; L294-F364 HydrophobicContact CD2-CD1 4.5Å; L294-F364 HydrophobicContact CD2-CG 4.2Å; L294-F364 HydrophobicContact CG-CD1 4.49Å
295I94.5Very high90.1Very high1 Ų129.6 Ų29.61%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-115.4116.7175.9-57.3161.2000106I268 F364 Y365 L412 F658I268-I295 HydrophobicContact CD1-CG1 4.28Å; I268-I295 HydrophobicContact CG1-CG1 4.14Å; I268-I295 HydrophobicContact CG2-CG1 3.99Å; I295-F364 CarbonylContact O-C 3.55Å; I295-F364 WeakPolarHBondContact O-CA 3.31Å; I295-Y365 PolarHBondContact N-O 2.85Å; I295-Y365 PolarHBondContact O-N 3.45Å; I295-L412 HydrophobicContact CD1-CB 3.42Å; I295-L412 VanDerWaalsContact CD1-CB 3.42Å; I295-L412 HydrophobicContact CD1-CD2 3.76Å; I295-L412 HydrophobicContact CD1-CG 4.24Å; I295-F658 HydrophobicContact CG2-CE1 4.35Å
296P93.7Very high90.7Very high1 Ų125.2 Ų25.21%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-66145.7-179.530.8-38.1000110.7C266 P267 L300 L305 F364 L695 Y696C266-P296 WeakPolarHBondContact SG-CG 3.37Å; P267-P296 WeakPolarHBondContact O-CD 3.32Å; P296-L300 HydrophobicContact CB-CD1 3.89Å; P296-L305 HydrophobicContact CB-CD1 3.56Å; P296-L305 HydrophobicContact CB-CD2 3.74Å; P296-L305 HydrophobicContact CB-CG 4.28Å; P296-L305 HydrophobicContact CG-CD1 4.25Å; P296-L305 HydrophobicContact CG-CD2 3.74Å; P296-F364 HydrophobicContact CB-CD1 4.28Å; P296-F364 HydrophobicContact CB-CE1 4.11Å; P296-L695 HydrophobicContact CB-CD1 3.82Å; P296-L695 HydrophobicContact CG-CD1 3.81Å; P296-Y696 WeakPolarHBondContact O-CE1 3.47Å; P296-Y696 VanDerWaalsContact O-CZ 3.31Å; P296-Y696 PolarHBondContact O-OH 3.02Å
297K90.6Very high91.1Very high31 Ų3128 Ų2814%0.13513%0.131CC..  trans-73.7151.9174.8-70.8-147.9-166150.40111.7Y299 L300 N362 E363 Y365K297-Y299 VanDerWaalsContact C-N 3.26Å; K297-Y299 HydrophobicContact CB-CD1 4.23Å; K297-Y299 HydrophobicContact CB-CE1 3.79Å; K297-Y299 HydrophobicContact CB-CE2 4.44Å; K297-Y299 HydrophobicContact CD-CE1 3.95Å; K297-Y299 HydrophobicContact CG-CE1 4.5Å; K297-Y299 PolarHBondContact O-N 2.94Å; K297-Y299 VanDerWaalsContact O-N 3.13Å; K297-L300 PolarHBondContact O-N 2.99Å; K297-N362 WeakPolarHBondContact CD-O 3.37Å; K297-N362 WeakPolarHBondContact CE-O 3.32Å; K297-N362 PolarHBondContact NZ-O 3.14Å; K297-E363 WeakPolarHBondContact CB-O 3.34Å; K297-E363 WeakPolarHBondContact CG-O 3.48Å; K297-E363 PolarHBondContact N-O 3.36Å; K297-Y365 HydrophobicContact CB-CE2 4.36Å; K297-Y365 HydrophobicContact CD-CD2 4.28Å; K297-Y365 HydrophobicContact CD-CE1 4.06Å; K297-Y365 HydrophobicContact CD-CE2 3.71Å; K297-Y365 VanDerWaalsContact CE-CE1 3.46Å; K297-Y365 HydrophobicContact CG-CD2 3.76Å; K297-Y365 HydrophobicContact CG-CE2 3.52Å; K297-Y365 HydrophobicContact CG-CG 4.36Å
298P84.8Confident91.8Very high2 Ų224.2 Ų24.21%0.01312%0.118CC..THydrogen-bonded Turntrans-64.9-25.5-166.921.4-31.2000114.3L300 K694 L695 Y696 L698P298-L300 VanDerWaalsContact C-N 3.3Å; P298-L300 PolarHBondContact O-N 3.15Å; P298-K694 HydrophobicContact CB-CB 4.49Å; P298-K694 CarbonylContact O-C 3.38Å; P298-K694 WeakPolarHBondContact O-CA 3.34Å; P298-K694 WeakPolarHBondContact O-CB 3.48Å; P298-L695 PolarHBondContact O-N 3.33Å; P298-Y696 HydrophobicContact CB-CD1 4.33Å; P298-Y696 HydrophobicContact CB-CD2 3.87Å; P298-Y696 HydrophobicContact CB-CE1 4.25Å; P298-Y696 HydrophobicContact CB-CE2 3.78Å; P298-Y696 HydrophobicContact CB-CG 4.14Å; P298-Y696 WeakPolarHBondContact CB-O 3.4Å; P298-Y696 WeakPolarHBondContact CD-OH 3.28Å; P298-Y696 HydrophobicContact CG-CD2 4.41Å; P298-Y696 HydrophobicContact CG-CE2 3.94Å; P298-L698 HydrophobicContact CG-CD2 3.49Å; P298-L698 VanDerWaalsContact CG-CD2 3.49Å; P298-L698 HydrophobicContact CG-CG 3.77Å
299Y86.2Confident92.3Very high119 Ų11924.3 Ų24.347%0.46712%0.119SC..THydrogen-bonded Turntrans-81.1-0.2-177.656.3-107.1000114.9K297 N362K297-Y299 VanDerWaalsContact C-N 3.26Å; K297-Y299 HydrophobicContact CB-CD1 4.23Å; K297-Y299 HydrophobicContact CB-CE1 3.79Å; K297-Y299 HydrophobicContact CB-CE2 4.44Å; K297-Y299 HydrophobicContact CD-CE1 3.95Å; K297-Y299 HydrophobicContact CG-CE1 4.5Å; K297-Y299 PolarHBondContact O-N 2.94Å; K297-Y299 VanDerWaalsContact O-N 3.13Å; Y299-N362 PolarHBondContact OH-O 3.37Å
300L89.9Confident92.6Very high6 Ų628.2 Ų28.23%0.03114%0.136CC..  trans-75.8134177.6-64.2-178.5000111P296 K297 P298 Q304 L305 E363 L695P296-L300 HydrophobicContact CB-CD1 3.89Å; K297-L300 PolarHBondContact O-N 2.99Å; P298-L300 VanDerWaalsContact C-N 3.3Å; P298-L300 PolarHBondContact O-N 3.15Å; L300-Q304 HydrophobicContact CD2-CB 4.43Å; L300-L305 HydrophobicContact CD1-CB 4.47Å; L300-L305 HydrophobicContact CD1-CD1 4.19Å; L300-E363 HydrophobicContact CD1-CB 4.1Å; L300-E363 WeakPolarHBondContact CD1-O 3.42Å; L300-E363 HydrophobicContact CD2-CB 4.12Å; L300-E363 HydrophobicContact CD2-CG 3.91Å; L300-L695 HydrophobicContact CB-CD1 4.11Å; L300-L695 VanDerWaalsContact O-CD2 3.32Å; L300-L695 WeakPolarHBondContact O-CD2 3.27Å; L300-L695 WeakPolarHBondContact O-CG 3.42Å
301T88.7Confident93Very high48 Ų4831.4 Ų31.429%0.29415%0.152SC..  trans-71.8154.616459.80000110.7K303 Q304 L305T301-K303 PolarHBondContact O-N 3.25Å; T301-K303 VanDerWaalsContact O-N 3.15Å; T301-Q304 PolarHBondContact O-N 3.37Å; T301-Q304 VanDerWaalsContact O-N 3.12Å; T301-Q304 WeakPolarHBondContact OG1-CB 3.22Å; T301-Q304 VanDerWaalsContact OG1-CD 3.28Å; T301-Q304 VanDerWaalsContact OG1-CG 3.3Å; T301-Q304 WeakPolarHBondContact OG1-CG 3.34Å; T301-Q304 PolarHBondContact OG1-N 3.29Å; T301-Q304 PolarHBondContact OG1-OE1 3.38Å; T301-L305 PolarHBondContact O-N 2.88Å
302P90.1Very high93.1Very high0 Ų031.4 Ų31.40%015%0.152CC..Hα-helixtrans-51-37.9172.9-28.535.2000113.5L305 L306 W676 Y677 I684 W693P302-L305 PolarHBondContact O-N 3.14Å; P302-L306 WeakPolarHBondContact O-CB 3.37Å; P302-L306 PolarHBondContact O-N 3.17Å; P302-W676 HydrophobicContact CB-CH2 3.74Å; P302-W676 HydrophobicContact CB-CZ3 3.92Å; P302-W676 HydrophobicContact CG-CH2 4.14Å; P302-Y677 HydrophobicContact CB-CD2 3.96Å; P302-I684 HydrophobicContact CG-CD1 3.93Å; P302-W693 HydrophobicContact CG-CZ3 4.17Å
303K91.6Very high93Very high121 Ų12134.6 Ų34.653%0.52617%0.166SC..Hα-helixtrans-68.2-43.1177.7-170.2172.1-179.41730113.8T301 S307 Y677T301-K303 PolarHBondContact O-N 3.25Å; T301-K303 VanDerWaalsContact O-N 3.15Å; K303-S307 WeakPolarHBondContact O-CB 3.48Å; K303-S307 PolarHBondContact O-N 3.34Å; K303-S307 VanDerWaalsContact O-N 3.14Å; K303-S307 PolarHBondContact O-OG 3.21Å; K303-Y677 HydrophobicContact CB-CE2 3.83Å; K303-Y677 HydrophobicContact CG-CE2 4.25Å
304Q93.4Very high92.8Very high90 Ų9038.3 Ų38.342%0.42119%0.189SC..Hα-helixtrans-61.8-50.3172.4-76.5161.4-45.300109.6L300 T301 L306 S307 S308L300-Q304 HydrophobicContact CD2-CB 4.43Å; T301-Q304 PolarHBondContact O-N 3.37Å; T301-Q304 VanDerWaalsContact O-N 3.12Å; T301-Q304 WeakPolarHBondContact OG1-CB 3.22Å; T301-Q304 VanDerWaalsContact OG1-CD 3.28Å; T301-Q304 VanDerWaalsContact OG1-CG 3.3Å; T301-Q304 WeakPolarHBondContact OG1-CG 3.34Å; T301-Q304 PolarHBondContact OG1-N 3.29Å; T301-Q304 PolarHBondContact OG1-OE1 3.38Å; Q304-L306 PolarHBondContact O-N 2.81Å; Q304-S307 WeakPolarHBondContact O-CB 3.24Å; Q304-S307 PolarHBondContact O-N 3.42Å; Q304-S307 VanDerWaalsContact O-N 3.11Å; Q304-S308 WeakPolarHBondContact O-CB 3.24Å; Q304-S308 PolarHBondContact O-N 2.79Å; Q304-S308 PolarHBondContact O-OG 3.31Å; Q304-S308 VanDerWaalsContact O-OG 3.12Å
305L94.4Very high92.5Very high1 Ų142 Ų421%0.00521%0.205CC..Hα-helixtrans-55.2-51-179.4178.351.6000112.5P267 P296 L300 T301 P302 S307 S308 I309 F364 W676 L695P267-L305 HydrophobicContact CG-CD2 3.75Å; P296-L305 HydrophobicContact CB-CD1 3.56Å; P296-L305 HydrophobicContact CB-CD2 3.74Å; P296-L305 HydrophobicContact CB-CG 4.28Å; P296-L305 HydrophobicContact CG-CD1 4.25Å; P296-L305 HydrophobicContact CG-CD2 3.74Å; L300-L305 HydrophobicContact CD1-CB 4.47Å; L300-L305 HydrophobicContact CD1-CD1 4.19Å; T301-L305 PolarHBondContact O-N 2.88Å; P302-L305 PolarHBondContact O-N 3.14Å; L305-S307 VanDerWaalsContact C-N 3.31Å; L305-S307 PolarHBondContact O-N 2.94Å; L305-S308 PolarHBondContact O-N 3.01Å; L305-I309 HydrophobicContact CD1-CD1 4.42Å; L305-I309 HydrophobicContact CD1-CG1 3.83Å; L305-I309 WeakPolarHBondContact O-CB 3.23Å; L305-I309 VanDerWaalsContact O-CG1 3.32Å; L305-I309 WeakPolarHBondContact O-CG1 3.29Å; L305-I309 PolarHBondContact O-N 3.39Å; L305-F364 HydrophobicContact CD1-CE1 3.6Å; L305-F364 HydrophobicContact CD1-CZ 3.82Å; L305-W676 HydrophobicContact CD2-CH2 3.74Å; L305-W676 HydrophobicContact CD2-CZ3 4.06Å; L305-L695 HydrophobicContact CD2-CD1 4Å
306L95.3Very high92.3Very high15 Ų1542.5 Ų42.58%0.07921%0.208CC..Hα-helixtrans-60.1-42.8178.4-178.264.1000111.6P302 Q304 I309 F310 L673 Y677P302-L306 WeakPolarHBondContact O-CB 3.37Å; P302-L306 PolarHBondContact O-N 3.17Å; Q304-L306 PolarHBondContact O-N 2.81Å; L306-I309 PolarHBondContact O-N 2.88Å; L306-F310 HydrophobicContact CD1-CD2 4.03Å; L306-F310 HydrophobicContact CD1-CE2 3.48Å; L306-F310 VanDerWaalsContact CD1-CE2 3.48Å; L306-F310 HydrophobicContact CD1-CZ 3.94Å; L306-F310 HydrophobicContact CD2-CE2 3.93Å; L306-F310 HydrophobicContact CG-CD2 3.87Å; L306-F310 HydrophobicContact CG-CE2 3.49Å; L306-F310 VanDerWaalsContact CG-CE2 3.49Å; L306-F310 HydrophobicContact CG-CZ 4.4Å; L306-F310 WeakPolarHBondContact O-CD2 3.31Å; L306-F310 PolarHBondContact O-N 3.19Å; L306-L673 HydrophobicContact CD1-CD2 4.02Å; L306-L673 HydrophobicContact CD1-CG 3.99Å; L306-Y677 HydrophobicContact CB-CD2 4.17Å; L306-Y677 HydrophobicContact CB-CG 4.27Å; L306-Y677 HydrophobicContact CD2-CD1 3.38Å; L306-Y677 HydrophobicContact CD2-CD2 3.96Å; L306-Y677 HydrophobicContact CD2-CE1 3.89Å; L306-Y677 HydrophobicContact CD2-CE2 4.42Å; L306-Y677 HydrophobicContact CD2-CG 3.4Å; L306-Y677 VanDerWaalsContact CD2-CG 3.4Å; L306-Y677 HydrophobicContact CG-CG 4.4Å
307S96.1Very high91.9Very high60 Ų6044.4 Ų44.442%0.4222%0.221SC..Hα-helixtrans-61.7-47.3177.7-56.40000111.8K303 Q304 L305 F310 I311K303-S307 WeakPolarHBondContact O-CB 3.48Å; K303-S307 PolarHBondContact O-N 3.34Å; K303-S307 VanDerWaalsContact O-N 3.14Å; K303-S307 PolarHBondContact O-OG 3.21Å; Q304-S307 WeakPolarHBondContact O-CB 3.24Å; Q304-S307 PolarHBondContact O-N 3.42Å; Q304-S307 VanDerWaalsContact O-N 3.11Å; L305-S307 VanDerWaalsContact C-N 3.31Å; L305-S307 PolarHBondContact O-N 2.94Å; S307-F310 PolarHBondContact O-N 3.41Å; S307-I311 WeakPolarHBondContact O-CG1 3.2Å; S307-I311 PolarHBondContact O-N 3.12Å
308S96.8Very high91.7Very high7 Ų746.6 Ų46.65%0.04923%0.232CC..Hα-helixtrans-62.6-42.4178.6-66.40000112Q304 L305 F310 I311 I312 E363Q304-S308 WeakPolarHBondContact O-CB 3.24Å; Q304-S308 PolarHBondContact O-N 2.79Å; Q304-S308 PolarHBondContact O-OG 3.31Å; Q304-S308 VanDerWaalsContact O-OG 3.12Å; L305-S308 PolarHBondContact O-N 3.01Å; S308-F310 PolarHBondContact O-N 2.77Å; S308-I311 PolarHBondContact O-N 3.33Å; S308-I312 WeakPolarHBondContact O-CB 3.18Å; S308-I312 WeakPolarHBondContact O-CD1 3.48Å; S308-I312 VanDerWaalsContact O-CG1 3.25Å; S308-I312 WeakPolarHBondContact O-CG1 3.48Å; S308-I312 PolarHBondContact O-N 3.32Å; S308-E363 VanDerWaalsContact CB-OE2 3.25Å; S308-E363 WeakPolarHBondContact CB-OE2 3.42Å; S308-E363 PolarHBondContact OG-OE2 3Å
309I96.2Very high91.7Very high3 Ų347.3 Ų47.32%0.01524%0.235CC..Hα-helixtrans-64.4-39.3175.1-69.9-63.5000112.2I269 L305 L306 I312 K313 F364 L664 L673I269-I309 HydrophobicContact CB-CD1 4.48Å; I269-I309 HydrophobicContact CG1-CD1 3.88Å; I269-I309 HydrophobicContact CG1-CG1 4.48Å; L305-I309 HydrophobicContact CD1-CD1 4.42Å; L305-I309 HydrophobicContact CD1-CG1 3.83Å; L305-I309 WeakPolarHBondContact O-CB 3.23Å; L305-I309 VanDerWaalsContact O-CG1 3.32Å; L305-I309 WeakPolarHBondContact O-CG1 3.29Å; L305-I309 PolarHBondContact O-N 3.39Å; L306-I309 PolarHBondContact O-N 2.88Å; I309-I312 HydrophobicContact CD1-CD1 4.47Å; I309-I312 PolarHBondContact O-N 3.27Å; I309-K313 WeakPolarHBondContact O-CB 3.14Å; I309-K313 PolarHBondContact O-N 3.13Å; I309-F364 HydrophobicContact CD1-CE1 3.82Å; I309-F364 HydrophobicContact CD1-CZ 3.96Å; I309-F364 HydrophobicContact CG1-CE1 4.44Å; I309-F364 HydrophobicContact CG1-CZ 4.35Å; I309-L664 HydrophobicContact CG2-CD1 3.25Å; I309-L673 HydrophobicContact CB-CD2 4.4Å; I309-L673 HydrophobicContact CG2-CD2 3.7Å
310F95Very high91.5Very high81 Ų8142.4 Ų42.436%0.35522%0.217SC..Hα-helixtrans-64.4-40.2173.8-78.6-54.4000112.8L306 S307 S308 T314 M670 I674L306-F310 HydrophobicContact CD1-CD2 4.03Å; L306-F310 HydrophobicContact CD1-CE2 3.48Å; L306-F310 VanDerWaalsContact CD1-CE2 3.48Å; L306-F310 HydrophobicContact CD1-CZ 3.94Å; L306-F310 HydrophobicContact CD2-CE2 3.93Å; L306-F310 HydrophobicContact CG-CD2 3.87Å; L306-F310 HydrophobicContact CG-CE2 3.49Å; L306-F310 VanDerWaalsContact CG-CE2 3.49Å; L306-F310 HydrophobicContact CG-CZ 4.4Å; L306-F310 WeakPolarHBondContact O-CD2 3.31Å; L306-F310 PolarHBondContact O-N 3.19Å; S307-F310 PolarHBondContact O-N 3.41Å; S308-F310 PolarHBondContact O-N 2.77Å; F310-T314 WeakPolarHBondContact O-CB 3.31Å; F310-T314 PolarHBondContact O-N 2.68Å; F310-T314 PolarHBondContact O-OG1 2.88Å; F310-M670 HydrophobicContact CD1-CE 4.11Å; F310-M670 HydrophobicContact CD1-SD 4.37Å; F310-M670 HydrophobicContact CE1-CE 3.7Å; F310-M670 HydrophobicContact CE1-CG 4.5Å; F310-M670 HydrophobicContact CE1-SD 3.5Å; F310-M670 WeakPolarHBondContact CE1-SD 3.42Å; F310-M670 HydrophobicContact CZ-SD 3.94Å; F310-I674 HydrophobicContact CZ-CD1 4.34Å; F310-I674 HydrophobicContact CZ-CG1 4.4Å
311I95.8Very high91Very high73 Ų7348.1 Ų48.137%0.37425%0.246SC..Hα-helixtrans-61.9-49.4174.3-68.2165.5000109.9S307 S308 K313 T314 K315 C358 L360S307-I311 WeakPolarHBondContact O-CG1 3.2Å; S307-I311 PolarHBondContact O-N 3.12Å; S308-I311 PolarHBondContact O-N 3.33Å; I311-K313 PolarHBondContact O-N 3.13Å; I311-T314 PolarHBondContact O-N 3.29Å; I311-K315 HydrophobicContact CG2-CG 4.29Å; I311-K315 WeakPolarHBondContact O-CB 3.25Å; I311-K315 WeakPolarHBondContact O-CG 3.42Å; I311-K315 PolarHBondContact O-N 2.66Å; I311-C358 HydrophobicContact CG2-CB 3.95Å; I311-L360 HydrophobicContact CG2-CD1 4.37Å
312I95.1Very high90.5Very high1 Ų153.7 Ų53.71%0.00527%0.267CS..Hα-helixtrans-57.5-50.6178-71.4164.2000110.6I271 L294 S308 I309 T314 K315 L316 L354 L355 L360 F364I271-I312 HydrophobicContact CD1-CG2 4.32Å; L294-I312 HydrophobicContact CD1-CD1 3.85Å; L294-I312 HydrophobicContact CD1-CG2 4.17Å; S308-I312 WeakPolarHBondContact O-CB 3.18Å; S308-I312 WeakPolarHBondContact O-CD1 3.48Å; S308-I312 VanDerWaalsContact O-CG1 3.25Å; S308-I312 WeakPolarHBondContact O-CG1 3.48Å; S308-I312 PolarHBondContact O-N 3.32Å; I309-I312 HydrophobicContact CD1-CD1 4.47Å; I309-I312 PolarHBondContact O-N 3.27Å; I312-T314 VanDerWaalsContact C-N 3.32Å; I312-T314 PolarHBondContact O-N 2.8Å; I312-K315 PolarHBondContact O-N 3.47Å; I312-L316 WeakPolarHBondContact O-CB 3.37Å; I312-L316 PolarHBondContact O-N 2.76Å; I312-L354 HydrophobicContact CG2-CD2 4.15Å; I312-L355 HydrophobicContact CD1-CD2 3.74Å; I312-L355 HydrophobicContact CG1-CD2 4.23Å; I312-L360 HydrophobicContact CD1-CD1 3.72Å; I312-L360 HydrophobicContact CG1-CD1 3.6Å; I312-F364 HydrophobicContact CD1-CD2 4.03Å; I312-F364 HydrophobicContact CD1-CE2 3.5Å; I312-F364 VanDerWaalsContact CD1-CE2 3.5Å; I312-F364 HydrophobicContact CD1-CZ 3.83Å
313K91.6Very high89.6Confident67 Ų6758.2 Ų58.229%0.29129%0.286SS..Hα-helixtrans-57.3-44.5178.3-179-179.1171.9-178.60112I309 I311 S317 L664 M670I309-K313 WeakPolarHBondContact O-CB 3.14Å; I309-K313 PolarHBondContact O-N 3.13Å; I311-K313 PolarHBondContact O-N 3.13Å; K313-S317 PolarHBondContact O-N 3.35Å; K313-L664 HydrophobicContact CD-CB 4.42Å; K313-L664 VanDerWaalsContact CE-O 3.28Å; K313-L664 WeakPolarHBondContact CE-O 3.21Å; K313-L664 PolarHBondContact NZ-O 3.22Å; K313-M670 HydrophobicContact CD-CE 3.6Å
314T91.2Very high88Confident78 Ų7855.2 Ų55.248%0.47928%0.28SS..Hα-helixtrans-71.4-33.3-178.4-58.30000112.5F310 I311 I312 S317 Q318F310-T314 WeakPolarHBondContact O-CB 3.31Å; F310-T314 PolarHBondContact O-N 2.68Å; F310-T314 PolarHBondContact O-OG1 2.88Å; I311-T314 PolarHBondContact O-N 3.29Å; I312-T314 VanDerWaalsContact C-N 3.32Å; I312-T314 PolarHBondContact O-N 2.8Å; T314-S317 PolarHBondContact O-OG 3.38Å; T314-S317 VanDerWaalsContact O-OG 3.13Å; T314-Q318 WeakPolarHBondContact O-CG 3.4Å
315K91.8Very high85.8Confident76 Ų7658.3 Ų58.333%0.3330%0.3SS..Hα-helixtrans-80.8-33.5176.7-71.2-68.1-178.5-174.90112.6I311 I312 Q318 I319 L354 C358I311-K315 HydrophobicContact CG2-CG 4.29Å; I311-K315 WeakPolarHBondContact O-CB 3.25Å; I311-K315 WeakPolarHBondContact O-CG 3.42Å; I311-K315 PolarHBondContact O-N 2.66Å; I312-K315 PolarHBondContact O-N 3.47Å; K315-Q318 WeakPolarHBondContact O-CB 3.44Å; K315-Q318 PolarHBondContact O-N 3.3Å; K315-I319 WeakPolarHBondContact O-CG1 3.39Å; K315-I319 PolarHBondContact O-N 3.39Å; K315-L354 HydrophobicContact CB-CD1 3.61Å; K315-C358 VanDerWaalsContact CB-SG 3.57Å
316L90.5Very high83.2Confident13 Ų1365.1 Ų65.17%0.06834%0.336CS..Hα-helixtrans-57.6-50.8176.4177.463.6000111.5I271 F272 I312 Q318 I319 L320 L354I271-L316 HydrophobicContact CG2-CD2 3.82Å; F272-L316 HydrophobicContact CE1-CD1 3.5Å; F272-L316 VanDerWaalsContact CE1-CD1 3.5Å; F272-L316 HydrophobicContact CZ-CD1 3.42Å; F272-L316 VanDerWaalsContact CZ-CD1 3.42Å; I312-L316 WeakPolarHBondContact O-CB 3.37Å; I312-L316 PolarHBondContact O-N 2.76Å; L316-Q318 VanDerWaalsContact C-N 3.31Å; L316-Q318 PolarHBondContact O-N 3.47Å; L316-I319 PolarHBondContact O-N 3.32Å; L316-L320 HydrophobicContact CD1-CD1 3.94Å; L316-L320 HydrophobicContact CD1-CG 4.05Å; L316-L320 HydrophobicContact CG-CD1 3.98Å; L316-L320 HydrophobicContact CG-CG 4.43Å; L316-L320 WeakPolarHBondContact O-CB 3.5Å; L316-L320 WeakPolarHBondContact O-CG 3.18Å; L316-L320 PolarHBondContact O-N 3.41Å; L316-L354 HydrophobicContact CB-CD2 4.01Å; L316-L354 HydrophobicContact CD1-CD2 3.76Å; L316-L354 HydrophobicContact CG-CD2 4.45Å
317S85.1Confident81.2Confident41 Ų4168.9 Ų68.929%0.28736%0.356SS..Hα-helixtrans-60.1-41.5177.159.50000111.8K313 T314 I319 I321K313-S317 PolarHBondContact O-N 3.35Å; T314-S317 PolarHBondContact O-OG 3.38Å; T314-S317 VanDerWaalsContact O-OG 3.13Å; S317-I319 PolarHBondContact O-N 3.07Å; S317-I321 WeakPolarHBondContact O-CB 3.47Å; S317-I321 WeakPolarHBondContact O-CD1 3.45Å; S317-I321 WeakPolarHBondContact O-CG1 3.38Å; S317-I321 PolarHBondContact O-N 3.44Å; S317-I321 VanDerWaalsContact O-N 3.13Å
318Q86.2Confident79Confident77 Ų7770.9 Ų70.936%0.3637%0.367SS..Hα-helixtrans-63-38.6175.7-68.5174.813.500113.3T314 K315 L316 K322T314-Q318 WeakPolarHBondContact O-CG 3.4Å; K315-Q318 WeakPolarHBondContact O-CB 3.44Å; K315-Q318 PolarHBondContact O-N 3.3Å; L316-Q318 VanDerWaalsContact C-N 3.31Å; L316-Q318 PolarHBondContact O-N 3.47Å; Q318-K322 WeakPolarHBondContact O-CD 3.17Å; Q318-K322 VanDerWaalsContact O-CG 3.27Å; Q318-K322 WeakPolarHBondContact O-CG 3.18Å; Q318-K322 PolarHBondContact O-N 3.11Å
319I85.6Confident77.1Confident17 Ų1773.9 Ų73.99%0.08738%0.381CS..Hα-helixtrans-74.1-44.8179.1-70.6-176.7000110.8K315 L316 S317 I321 K322 K323 L350 L354 I357K315-I319 WeakPolarHBondContact O-CG1 3.39Å; K315-I319 PolarHBondContact O-N 3.39Å; L316-I319 PolarHBondContact O-N 3.32Å; S317-I319 PolarHBondContact O-N 3.07Å; I319-I321 PolarHBondContact O-N 2.97Å; I319-K322 PolarHBondContact O-N 3.39Å; I319-K322 VanDerWaalsContact O-N 3.1Å; I319-K323 HydrophobicContact CG2-CD 3.88Å; I319-K323 HydrophobicContact CG2-CG 4.23Å; I319-K323 WeakPolarHBondContact O-CB 3.24Å; I319-K323 PolarHBondContact O-N 3Å; I319-L350 HydrophobicContact CG2-CD1 3.76Å; I319-L354 HydrophobicContact CD1-CB 4.13Å; I319-L354 HydrophobicContact CD1-CD1 3.74Å; I319-I357 HydrophobicContact CD1-CD1 3.7Å
320L81.5Confident75.7Confident16 Ų1677.6 Ų77.68%0.08440%0.4CS..Hα-helixtrans-58.2-50.6179.2-70.8176.3000110.9F272 L316 K322 K323 S324 Q329 V339 L350F272-L320 HydrophobicContact CE1-CD2 4.32Å; L316-L320 HydrophobicContact CD1-CD1 3.94Å; L316-L320 HydrophobicContact CD1-CG 4.05Å; L316-L320 HydrophobicContact CG-CD1 3.98Å; L316-L320 HydrophobicContact CG-CG 4.43Å; L316-L320 WeakPolarHBondContact O-CB 3.5Å; L316-L320 WeakPolarHBondContact O-CG 3.18Å; L316-L320 PolarHBondContact O-N 3.41Å; L320-K322 PolarHBondContact O-N 3.33Å; L320-K322 VanDerWaalsContact O-N 3.1Å; L320-K323 PolarHBondContact O-N 3.22Å; L320-S324 WeakPolarHBondContact O-CB 3.37Å; L320-S324 PolarHBondContact O-N 3.21Å; L320-S324 PolarHBondContact O-OG 3.38Å; L320-Q329 HydrophobicContact CD1-CG 4.47Å; L320-V339 HydrophobicContact CD2-CG2 3.81Å; L320-L350 HydrophobicContact CD2-CD2 4.38Å
321I78.4Confident75Confident125 Ų12578.1 Ų78.164%0.64141%0.406SS*.Hα-helixtrans-54.2-33176.5-68.6165.9000112.7S317 I319S317-I321 WeakPolarHBondContact O-CB 3.47Å; S317-I321 WeakPolarHBondContact O-CD1 3.45Å; S317-I321 WeakPolarHBondContact O-CG1 3.38Å; S317-I321 PolarHBondContact O-N 3.44Å; S317-I321 VanDerWaalsContact O-N 3.13Å; I319-I321 PolarHBondContact O-N 2.97Å
322K77.8Confident74.4Confident166 Ų16675.3 Ų75.372%0.72239%0.392SS*.Hα-helixtrans-87.7-30.4-178.1-72175.1-178.1-179.10114.3Q318 I319 L320Q318-K322 WeakPolarHBondContact O-CD 3.17Å; Q318-K322 VanDerWaalsContact O-CG 3.27Å; Q318-K322 WeakPolarHBondContact O-CG 3.18Å; Q318-K322 PolarHBondContact O-N 3.11Å; I319-K322 PolarHBondContact O-N 3.39Å; I319-K322 VanDerWaalsContact O-N 3.1Å; L320-K322 PolarHBondContact O-N 3.33Å; L320-K322 VanDerWaalsContact O-N 3.1Å
323K71.5Confident73.6Confident95 Ų9580.6 Ų80.641%0.41342%0.42SS..Hα-helixtrans-98.2-25.8-174.3-77.8-167173.6-171.50114.1I319 L320 N325 L350 E353I319-K323 HydrophobicContact CG2-CD 3.88Å; I319-K323 HydrophobicContact CG2-CG 4.23Å; I319-K323 WeakPolarHBondContact O-CB 3.24Å; I319-K323 PolarHBondContact O-N 3Å; L320-K323 PolarHBondContact O-N 3.22Å; K323-N325 PolarHBondContact O-N 3.45Å; K323-L350 HydrophobicContact CD-CD1 3.62Å; K323-E353 WeakPolarHBondContact CE-OE1 3.25Å; K323-E353 IonicContact NZ-OE1 3.12Å; K323-E353 PolarHBondContact NZ-OE1 3.47Å; K323-E353 IonicContact NZ-OE2 2.77Å; K323-E353 PolarHBondContact NZ-OE2 3.14Å
324S58.7Low73.3Confident58 Ų5878.3 Ų78.341%0.40641%0.411SS..  trans-75.294.6178.662.40000110.7L320 L326L320-S324 WeakPolarHBondContact O-CB 3.37Å; L320-S324 PolarHBondContact O-N 3.21Å; L320-S324 PolarHBondContact O-OG 3.38Å; S324-L326 PolarHBondContact O-N 3.3Å
325N47Very low73.1Confident155 Ų15574.6 Ų74.683%0.82939%0.388SS*.SBendtrans-69.747.8165.4-77.2-18.1000111.8K323K323-N325 PolarHBondContact O-N 3.45Å
326L40.5Very low73Confident144 Ų14471 Ų7175%0.75437%0.373SS*.SBendtrans164.9150.8164.4-94.3156.2000111.6S324S324-L326 PolarHBondContact O-N 3.3Å
327N52.1Low72.9Confident93 Ų9370.4 Ų70.450%0.49737%0.37SS..SBendtrans63.5145.2169.3-74.9-17.2000118.7
328P49.9Very low72.9Confident102 Ų10269.1 Ų69.166%0.66236%0.361SS*.  trans-61147173.227.7-35.1000110.4L330P328-L330 PolarHBondContact O-N 3.48Å
329Q56.7Low72.6Confident71 Ų7166.4 Ų66.433%0.33235%0.35SS..  trans-53104.6174.8-179.7-177.40.200109.7L320 I331 S337L320-Q329 HydrophobicContact CD1-CG 4.47Å; Q329-I331 PolarHBondContact O-N 3.44Å; Q329-S337 PolarHBondContact NE2-OG 3.13Å; Q329-S337 VanDerWaalsContact NE2-OG 3.13Å
330L68.2Low72.3Confident81 Ų8170 Ų7042%0.42437%0.367SS..PPolyproline II helixtrans-76116.2172.6-65.9177.9000107.6P328 S338P328-L330 PolarHBondContact O-N 3.48Å; L330-S338 WeakPolarHBondContact O-CB 3.34Å; L330-S338 PolarHBondContact O-N 3.3Å
331I79.5Confident72.4Confident92 Ų9269.5 Ų69.547%0.47237%0.365SS..BIsolated β-bridgetrans-87125.6167.9-61.1171.6000105.9Q329 A336 N665Q329-I331 PolarHBondContact O-N 3.44Å; I331-A336 WeakPolarHBondContact CA-O 3.28Å; I331-N665 HydrophobicContact CD1-CB 4.07Å; I331-N665 HydrophobicContact CG2-CB 4.1Å
332C82.7Confident72.8Confident13 Ų1366.2 Ų66.29%0.08835%0.348CS..PPolyproline II helixtrans-70.9163.8175.3-73.40000111.2N273 E276 N334 G335 A336N273-C332 HydrophobicContact CB-CB 4.21Å; N273-C332 WeakPolarHBondContact CB-SG 3.43Å; E276-C332 WeakPolarHBondContact OE2-CB 3.46Å; E276-C332 PolarHBondContact OE2-SG 3.14Å; C332-N334 WeakPolarHBondContact CB-OD1 3.46Å; C332-N334 PolarHBondContact O-N 3.21Å; C332-N334 VanDerWaalsContact O-N 3.13Å; C332-G335 WeakPolarHBondContact O-CA 3.45Å; C332-G335 PolarHBondContact O-N 3.41Å; C332-A336 PolarHBondContact N-O 3.05Å
333D79.2Confident73.3Confident113 Ų11364 Ų6460%0.60434%0.339SS*.THydrogen-bonded Turntrans-63.2-22.7-178.4-56.7-31000112.8G335 R666D333-G335 VanDerWaalsContact C-N 3.26Å; D333-G335 PolarHBondContact O-N 2.98Å; D333-R666 WeakPolarHBondContact O-CD 3.35Å; D333-R666 PolarHBondContact O-NH1 3.48Å
334N85.3Confident74.1Confident18 Ų1859.5 Ų59.510%0.09632%0.319CS..THydrogen-bonded Turntrans-80.61.2170.680.2-12.7000113.7N273 C332 A336 T662 G663N273-N334 VanDerWaalsContact ND2-CG 3.33Å; N273-N334 PolarHBondContact ND2-ND2 2.94Å; N273-N334 PolarHBondContact ND2-OD1 3.26Å; N273-N334 PolarHBondContact OD1-ND2 3.41Å; C332-N334 WeakPolarHBondContact CB-OD1 3.46Å; C332-N334 PolarHBondContact O-N 3.21Å; C332-N334 VanDerWaalsContact O-N 3.13Å; N334-A336 WeakPolarHBondContact OD1-CB 3.5Å; N334-A336 PolarHBondContact OD1-N 3.07Å; N334-T662 HydrophobicContact CB-CG2 4.38Å; N334-T662 WeakPolarHBondContact O-CB 3.38Å; N334-T662 PolarHBondContact O-OG1 2.91Å; N334-G663 PolarHBondContact O-N 3.4Å
335G87.8Confident75.7Confident0 Ų058.7 Ų58.70%031%0.309CS..SBendtrans82.2-0.2-17900000115.8C332 D333 G663 N665C332-G335 WeakPolarHBondContact O-CA 3.45Å; C332-G335 PolarHBondContact O-N 3.41Å; D333-G335 VanDerWaalsContact C-N 3.26Å; D333-G335 PolarHBondContact O-N 2.98Å; G335-G663 VanDerWaalsContact C-CA 3.46Å; G335-G663 CarbonylContact C-O 3.14Å; G335-G663 WeakPolarHBondContact CA-O 3.1Å; G335-G663 CarbonylContact O-C 3.56Å; G335-N665 VanDerWaalsContact O-CB 3.28Å; G335-N665 WeakPolarHBondContact O-CB 3.49Å; G335-N665 PolarHBondContact O-N 2.94Å; G335-N665 PolarHBondContact O-ND2 3.22Å
336A89.9Confident77.8Confident1 Ų155.7 Ų55.71%0.00829%0.29CS..PPolyproline II helixtrans-76.1159.7179.300000111.8T270 N273 I331 C332 N334T270-A336 HydrophobicContact CG2-CB 3.82Å; N273-A336 HydrophobicContact CB-CB 4.24Å; N273-A336 VanDerWaalsContact OD1-CB 3.25Å; N273-A336 WeakPolarHBondContact OD1-CB 3.17Å; I331-A336 WeakPolarHBondContact CA-O 3.28Å; C332-A336 PolarHBondContact N-O 3.05Å; N334-A336 WeakPolarHBondContact OD1-CB 3.5Å; N334-A336 PolarHBondContact OD1-N 3.07Å
337S87.7Confident80.2Confident1 Ų148.8 Ų48.81%0.00725%0.254CS..EExtended strand (participates in β ladder)trans-80.2123.7172.3-58.40000109.3I271 F272 N273 Q329I271-S337 PolarHBondContact O-N 3.39Å; F272-S337 WeakPolarHBondContact CA-O 3.28Å; N273-S337 PolarHBondContact N-O 3.42Å; N273-S337 VanDerWaalsContact N-O 3.09Å; Q329-S337 PolarHBondContact NE2-OG 3.13Å; Q329-S337 VanDerWaalsContact NE2-OG 3.13Å
338S84Confident82.2Confident14 Ų1444.4 Ų44.410%0.09823%0.23CC..EExtended strand (participates in β ladder)trans-75.8136170.7-166.30000109.9N273 L330N273-S338 WeakPolarHBondContact O-CA 3.07Å; L330-S338 WeakPolarHBondContact O-CB 3.34Å; L330-S338 PolarHBondContact O-N 3.3Å
339V80.3Confident84.3Confident20 Ų2043 Ų4312%0.12122%0.218CC..  trans-133.1133.8176.6-174.40000111.1F272 N273 L320 I341 I347F272-V339 HydrophobicContact CD1-CB 4.46Å; F272-V339 HydrophobicContact CD1-CG2 3.4Å; F272-V339 VanDerWaalsContact CD1-CG2 3.4Å; F272-V339 HydrophobicContact CE1-CG2 3.48Å; F272-V339 VanDerWaalsContact CE1-CG2 3.48Å; F272-V339 HydrophobicContact CG-CG2 4.41Å; N273-V339 PolarHBondContact O-N 2.95Å; L320-V339 HydrophobicContact CD2-CG2 3.81Å; V339-I341 HydrophobicContact CG1-CG2 3.96Å; V339-I341 PolarHBondContact O-N 3.49Å; V339-I347 HydrophobicContact CB-CD1 4.03Å; V339-I347 HydrophobicContact CG1-CD1 3.99Å; V339-I347 HydrophobicContact CG2-CD1 4.1Å
340M79.1Confident85.9Confident91 Ų9140.6 Ų40.645%0.44821%0.207SC..  trans-84.6107.5179.2-47.5-57.3-81.400109.3S282 S283S282-M340 WeakPolarHBondContact O-CE 3.37Å; S283-M340 VanDerWaalsContact CA-CE 3.5Å
341I83.8Confident87.2Confident7 Ų736.8 Ų36.84%0.03619%0.187CC..  trans-127.8142.3-178.751.8167.8000112.7C274 G284 K285 C286 V339 Q346 I347C274-I341 HydrophobicContact CB-CD1 3.99Å; G284-I341 CarbonylContact C-O 3.56Å; G284-I341 VanDerWaalsContact CA-O 3.24Å; G284-I341 WeakPolarHBondContact CA-O 3.42Å; K285-I341 PolarHBondContact N-O 3.29Å; K285-I341 VanDerWaalsContact N-O 3.14Å; C286-I341 HydrophobicContact CB-CD1 4.02Å; C286-I341 HydrophobicContact CB-CG1 3.8Å; C286-I341 WeakPolarHBondContact CB-O 3.48Å; C286-I341 PolarHBondContact N-O 3.07Å; V339-I341 HydrophobicContact CG1-CG2 3.96Å; V339-I341 PolarHBondContact O-N 3.49Å; I341-Q346 HydrophobicContact CG2-CB 4.22Å; I341-I347 HydrophobicContact CD1-CB 3.9Å; I341-I347 HydrophobicContact CD1-CG2 3.42Å; I341-I347 VanDerWaalsContact CD1-CG2 3.42Å; I341-I347 HydrophobicContact CG2-CB 3.92Å
342D86.9Confident87.9Confident56 Ų5634.6 Ų34.630%0.29918%0.176SC..SBendtrans-88.4-24.2174.4-87.7-0.5000112.1K285 C286 T386K285-D342 HydrophobicContact CB-CB 4.28Å; K285-D342 WeakPolarHBondContact CB-OD1 3.39Å; K285-D342 VanDerWaalsContact CG-OD1 3.22Å; K285-D342 WeakPolarHBondContact CG-OD1 3.42Å; K285-D342 PolarHBondContact N-OD1 3.32Å; K285-D342 IonicContact NZ-OD1 2.64Å; K285-D342 IonicContact NZ-OD2 3.53Å; K285-D342 PolarHBondContact NZ-OD2 3.5Å; C286-D342 PolarHBondContact N-O 3.34Å; D342-T386 VanDerWaalsContact O-CG2 3.3Å; D342-T386 WeakPolarHBondContact O-CG2 3.49Å; D342-T386 PolarHBondContact O-OG1 2.73Å
343K88.1Confident88.4Confident120 Ų12037.8 Ų37.852%0.52219%0.189SC..SBendtrans-147.4147.1-175.9-64.9-169.7177.4-174.30111.4E345 Q346K343-E345 VanDerWaalsContact C-N 3.28Å; K343-E345 VanDerWaalsContact CB-OE2 3.31Å; K343-E345 WeakPolarHBondContact CB-OE2 3.36Å; K343-E345 PolarHBondContact O-N 3.22Å; K343-Q346 HydrophobicContact CB-CG 4.32Å; K343-Q346 WeakPolarHBondContact O-CB 3.47Å; K343-Q346 PolarHBondContact O-N 2.98Å
344P88.5Confident89.1Confident0 Ų032.5 Ų32.50%016%0.161CC..Hα-helixtrans-66.3-28.1179.929.2-36.4000113.4F288 L289 Q346 I347 I348 Y399F288-P344 HydrophobicContact CD1-CB 3.79Å; F288-P344 HydrophobicContact CD1-CG 3.74Å; F288-P344 HydrophobicContact CE1-CB 4.04Å; F288-P344 HydrophobicContact CE1-CG 4Å; L289-P344 HydrophobicContact CD1-CB 3.55Å; L289-P344 HydrophobicContact CG-CB 3.93Å; P344-Q346 PolarHBondContact O-N 2.87Å; P344-I347 WeakPolarHBondContact O-CG2 3.44Å; P344-I347 PolarHBondContact O-N 3.09Å; P344-I348 WeakPolarHBondContact O-CD1 3.48Å; P344-I348 WeakPolarHBondContact O-CG1 3.42Å; P344-I348 PolarHBondContact O-N 2.82Å; P344-Y399 HydrophobicContact CG-CE1 4.41Å; P344-Y399 WeakPolarHBondContact CG-OH 3.35Å
345E92.9Very high89.6Confident40 Ų4031.9 Ų31.919%0.18716%0.158CC..Hα-helixtrans-57.6-36.8176.2-62.485.817300111.4K343 I347 I348 D349 Y399 L403 Y407K343-E345 VanDerWaalsContact C-N 3.28Å; K343-E345 VanDerWaalsContact CB-OE2 3.31Å; K343-E345 WeakPolarHBondContact CB-OE2 3.36Å; K343-E345 PolarHBondContact O-N 3.22Å; E345-I347 VanDerWaalsContact C-N 3.33Å; E345-I347 PolarHBondContact O-N 3.41Å; E345-I348 PolarHBondContact O-N 2.89Å; E345-D349 VanDerWaalsContact O-CB 3.29Å; E345-D349 WeakPolarHBondContact O-CB 3.37Å; E345-D349 PolarHBondContact O-N 3.44Å; E345-Y399 PolarHBondContact OE1-OH 3.35Å; E345-L403 HydrophobicContact CG-CD1 4.22Å; E345-Y407 HydrophobicContact CB-CE2 4.31Å; E345-Y407 WeakPolarHBondContact CB-OH 3.35Å; E345-Y407 HydrophobicContact CG-CE2 3.99Å; E345-Y407 PolarHBondContact O-OH 3.39Å
346Q91.2Very high90Very high92 Ų9236.4 Ų36.443%0.4318%0.181SC..Hα-helixtrans-60.9-38.6-178.3-66.6174.8-22.100113.3I341 K343 P344 L350I341-Q346 HydrophobicContact CG2-CB 4.22Å; K343-Q346 HydrophobicContact CB-CG 4.32Å; K343-Q346 WeakPolarHBondContact O-CB 3.47Å; K343-Q346 PolarHBondContact O-N 2.98Å; P344-Q346 PolarHBondContact O-N 2.87Å; Q346-L350 WeakPolarHBondContact O-CB 3.31Å; Q346-L350 PolarHBondContact O-N 3.22Å; Q346-L350 VanDerWaalsContact O-N 3.09Å
347I89.6Confident90.2Very high0 Ų040.2 Ų40.20%020%0.201CC..Hα-helixtrans-85.1-29.2-177.2-170.963.1000111.8F272 L289 I292 V339 I341 P344 E345 L350 L351F272-I347 HydrophobicContact CB-CD1 4.5Å; F272-I347 HydrophobicContact CB-CG1 4.43Å; F272-I347 HydrophobicContact CD1-CD1 3.94Å; F272-I347 HydrophobicContact CD2-CD1 3.58Å; F272-I347 HydrophobicContact CD2-CG1 3.72Å; F272-I347 HydrophobicContact CE1-CD1 3.88Å; F272-I347 HydrophobicContact CE2-CD1 3.55Å; F272-I347 HydrophobicContact CE2-CG1 4.06Å; F272-I347 HydrophobicContact CG-CD1 3.77Å; F272-I347 HydrophobicContact CG-CG1 4.07Å; F272-I347 HydrophobicContact CZ-CD1 3.69Å; L289-I347 HydrophobicContact CD1-CG2 3.75Å; I292-I347 HydrophobicContact CD1-CB 3.91Å; I292-I347 HydrophobicContact CD1-CG1 3.47Å; I292-I347 VanDerWaalsContact CD1-CG1 3.47Å; I292-I347 HydrophobicContact CD1-CG2 3.27Å; V339-I347 HydrophobicContact CB-CD1 4.03Å; V339-I347 HydrophobicContact CG1-CD1 3.99Å; V339-I347 HydrophobicContact CG2-CD1 4.1Å; I341-I347 HydrophobicContact CD1-CB 3.9Å; I341-I347 HydrophobicContact CD1-CG2 3.42Å; I341-I347 VanDerWaalsContact CD1-CG2 3.42Å; I341-I347 HydrophobicContact CG2-CB 3.92Å; P344-I347 WeakPolarHBondContact O-CG2 3.44Å; P344-I347 PolarHBondContact O-N 3.09Å; E345-I347 VanDerWaalsContact C-N 3.33Å; E345-I347 PolarHBondContact O-N 3.41Å; I347-L350 HydrophobicContact CD1-CD2 3.96Å; I347-L351 WeakPolarHBondContact O-CB 3.26Å; I347-L351 PolarHBondContact O-N 3.4Å
348I94.3Very high90.5Very high0 Ų040.8 Ų40.80%021%0.205CC..Hα-helixtrans-69.1-46.3171.3-60.4161.1000109.6P344 E345 L350 L351 I352 I366 L368 L403 Y407 I410P344-I348 WeakPolarHBondContact O-CD1 3.48Å; P344-I348 WeakPolarHBondContact O-CG1 3.42Å; P344-I348 PolarHBondContact O-N 2.82Å; E345-I348 PolarHBondContact O-N 2.89Å; I348-L350 VanDerWaalsContact C-N 3.31Å; I348-L350 PolarHBondContact O-N 3.14Å; I348-L351 PolarHBondContact O-N 3.06Å; I348-L351 VanDerWaalsContact O-N 3.16Å; I348-I352 HydrophobicContact CG2-CD1 3.95Å; I348-I352 WeakPolarHBondContact O-CG1 3.34Å; I348-I352 PolarHBondContact O-N 3.21Å; I348-I366 HydrophobicContact CG2-CD1 4.11Å; I348-L368 HydrophobicContact CD1-CD2 4.44Å; I348-L368 HydrophobicContact CG1-CD2 4.5Å; I348-L403 HydrophobicContact CD1-CD1 4.07Å; I348-Y407 HydrophobicContact CB-CD1 4.5Å; I348-Y407 HydrophobicContact CB-CE1 4.25Å; I348-Y407 HydrophobicContact CB-CE2 4.37Å; I348-Y407 HydrophobicContact CD1-CD2 4.07Å; I348-Y407 HydrophobicContact CD1-CE2 4.12Å; I348-Y407 HydrophobicContact CG2-CD1 3.43Å; I348-Y407 VanDerWaalsContact CG2-CD1 3.43Å; I348-Y407 HydrophobicContact CG2-CD2 4.05Å; I348-Y407 HydrophobicContact CG2-CE1 3.58Å; I348-Y407 HydrophobicContact CG2-CE2 4.18Å; I348-Y407 HydrophobicContact CG2-CG 3.66Å; I348-I410 HydrophobicContact CD1-CD1 4.22Å
349D94.2Very high91.1Very high74 Ų7448.5 Ų48.540%0.39624%0.239SC..Hα-helixtrans-58.2-42.6173.7-68-23.3000111E345 L351 I352 E353 Y407E345-D349 VanDerWaalsContact O-CB 3.29Å; E345-D349 WeakPolarHBondContact O-CB 3.37Å; E345-D349 PolarHBondContact O-N 3.44Å; D349-L351 PolarHBondContact O-N 3.01Å; D349-I352 PolarHBondContact O-N 3.37Å; D349-E353 PolarHBondContact O-N 2.93Å; D349-Y407 WeakPolarHBondContact OD1-CE1 3.48Å; D349-Y407 VanDerWaalsContact OD1-CZ 3.29Å; D349-Y407 PolarHBondContact OD1-OH 2.9Å; D349-Y407 PolarHBondContact OD2-OH 3.31Å
350L91.4Very high91.8Very high20 Ų2048 Ų4811%0.10524%0.236CC..Hα-helixtrans-63.2-39.5175.4-178.761.5000112.9F272 I319 L320 K323 Q346 I347 I348 L354F272-L350 HydrophobicContact CZ-CD2 4.28Å; I319-L350 HydrophobicContact CG2-CD1 3.76Å; L320-L350 HydrophobicContact CD2-CD2 4.38Å; K323-L350 HydrophobicContact CD-CD1 3.62Å; Q346-L350 WeakPolarHBondContact O-CB 3.31Å; Q346-L350 PolarHBondContact O-N 3.22Å; Q346-L350 VanDerWaalsContact O-N 3.09Å; I347-L350 HydrophobicContact CD1-CD2 3.96Å; I348-L350 VanDerWaalsContact C-N 3.31Å; I348-L350 PolarHBondContact O-N 3.14Å; L350-L354 WeakPolarHBondContact O-CB 3.41Å; L350-L354 PolarHBondContact O-N 3.3Å
351L93.7Very high92.3Very high0 Ų046.5 Ų46.50%023%0.23CC..Hα-helixtrans-69.7-39.7178.2-176.454.9000111.5I271 F272 I292 L294 I347 I348 D349 L354 L355 I366I271-L351 HydrophobicContact CG2-CD1 4.49Å; F272-L351 HydrophobicContact CE2-CB 4.27Å; F272-L351 HydrophobicContact CE2-CD1 4.26Å; I292-L351 HydrophobicContact CG2-CD2 3.53Å; L294-L351 HydrophobicContact CD1-CD1 4.45Å; L294-L351 HydrophobicContact CD2-CD1 4.15Å; L294-L351 HydrophobicContact CD2-CD2 3.92Å; L294-L351 HydrophobicContact CD2-CG 4.29Å; L294-L351 HydrophobicContact CG-CD1 4.48Å; I347-L351 WeakPolarHBondContact O-CB 3.26Å; I347-L351 PolarHBondContact O-N 3.4Å; I348-L351 PolarHBondContact O-N 3.06Å; I348-L351 VanDerWaalsContact O-N 3.16Å; D349-L351 PolarHBondContact O-N 3.01Å; L351-L354 HydrophobicContact CD1-CD2 4.18Å; L351-L354 PolarHBondContact O-N 3.27Å; L351-L355 HydrophobicContact CG-CD1 4.49Å; L351-L355 WeakPolarHBondContact O-CG 3.43Å; L351-L355 PolarHBondContact O-N 2.92Å; L351-I366 HydrophobicContact CD2-CD1 4.05Å; L351-I366 HydrophobicContact CD2-CG1 4.04Å; L351-I366 HydrophobicContact CD2-CG2 4.34Å; L351-I366 HydrophobicContact CG-CD1 4.44Å
352I95Very high92.5Very high47 Ų4751.6 Ų51.624%0.24126%0.257CS..Hα-helixtrans-63.1-45.7174.5-68.3167.4000110.3I348 D349 L354 L355 D356 I366 Y407I348-I352 HydrophobicContact CG2-CD1 3.95Å; I348-I352 WeakPolarHBondContact O-CG1 3.34Å; I348-I352 PolarHBondContact O-N 3.21Å; D349-I352 PolarHBondContact O-N 3.37Å; I352-L354 VanDerWaalsContact C-N 3.34Å; I352-L354 PolarHBondContact O-N 3.21Å; I352-L355 PolarHBondContact O-N 3.04Å; I352-D356 WeakPolarHBondContact O-CB 3.4Å; I352-D356 PolarHBondContact O-N 3.33Å; I352-I366 HydrophobicContact CG1-CD1 4.28Å; I352-Y407 HydrophobicContact CD1-CD1 3.72Å; I352-Y407 HydrophobicContact CD1-CE1 3.94Å
353E93.7Very high92.9Very high80 Ų8050.8 Ų50.837%0.37425%0.252SS..Hα-helixtrans-62.4-39.1175.7-170.7-169.4122.800112.5K323 D349 D356 I357K323-E353 WeakPolarHBondContact CE-OE1 3.25Å; K323-E353 IonicContact NZ-OE1 3.12Å; K323-E353 PolarHBondContact NZ-OE1 3.47Å; K323-E353 IonicContact NZ-OE2 2.77Å; K323-E353 PolarHBondContact NZ-OE2 3.14Å; D349-E353 PolarHBondContact O-N 2.93Å; E353-D356 PolarHBondContact O-N 3.01Å; E353-I357 HydrophobicContact CG-CD1 3.93Å; E353-I357 WeakPolarHBondContact O-CB 3.21Å; E353-I357 VanDerWaalsContact O-CG1 3.29Å; E353-I357 WeakPolarHBondContact O-CG1 3.31Å; E353-I357 PolarHBondContact O-N 2.79Å
354L93.3Very high93.2Very high1 Ų145.2 Ų45.21%0.00523%0.227CC..Hα-helixtrans-60.8-47.5173.8169.663.2000111.2I312 K315 L316 I319 L350 L351 I352 D356 I357 C358I312-L354 HydrophobicContact CG2-CD2 4.15Å; K315-L354 HydrophobicContact CB-CD1 3.61Å; L316-L354 HydrophobicContact CB-CD2 4.01Å; L316-L354 HydrophobicContact CD1-CD2 3.76Å; L316-L354 HydrophobicContact CG-CD2 4.45Å; I319-L354 HydrophobicContact CD1-CB 4.13Å; I319-L354 HydrophobicContact CD1-CD1 3.74Å; L350-L354 WeakPolarHBondContact O-CB 3.41Å; L350-L354 PolarHBondContact O-N 3.3Å; L351-L354 HydrophobicContact CD1-CD2 4.18Å; L351-L354 PolarHBondContact O-N 3.27Å; I352-L354 VanDerWaalsContact C-N 3.34Å; I352-L354 PolarHBondContact O-N 3.21Å; L354-D356 VanDerWaalsContact C-N 3.29Å; L354-D356 PolarHBondContact O-N 2.92Å; L354-I357 PolarHBondContact O-N 3.44Å; L354-C358 WeakPolarHBondContact O-CB 3.33Å; L354-C358 PolarHBondContact O-N 3.22Å; L354-C358 PolarHBondContact O-SG 2.85Å
355L96.4Very high93.5Very high6 Ų646.4 Ų46.43%0.03123%0.232CC..Hα-helixtrans-63.1-35.7177.2-69.1173.6000111.8L294 I312 L351 I352 C358 Q359 L360 F364L294-L355 HydrophobicContact CD1-CD2 4.5Å; L294-L355 HydrophobicContact CD2-CD1 4.21Å; I312-L355 HydrophobicContact CD1-CD2 3.74Å; I312-L355 HydrophobicContact CG1-CD2 4.23Å; L351-L355 HydrophobicContact CG-CD1 4.49Å; L351-L355 WeakPolarHBondContact O-CG 3.43Å; L351-L355 PolarHBondContact O-N 2.92Å; I352-L355 PolarHBondContact O-N 3.04Å; L355-C358 CarbonylContact O-C 3.35Å; L355-C358 PolarHBondContact O-N 3Å; L355-Q359 PolarHBondContact O-N 3.39Å; L355-L360 HydrophobicContact CD2-CB 4.07Å; L355-L360 PolarHBondContact O-N 3.39Å; L355-F364 HydrophobicContact CD2-CD2 3.89Å
356D95.5Very high93.6Very high94 Ų9444.6 Ų44.650%0.50322%0.224SC..Hα-helixtrans-67.2-47.9177.6-171.661.8000111.9I352 E353 L354 C358 Q359 N361I352-D356 WeakPolarHBondContact O-CB 3.4Å; I352-D356 PolarHBondContact O-N 3.33Å; E353-D356 PolarHBondContact O-N 3.01Å; L354-D356 VanDerWaalsContact C-N 3.29Å; L354-D356 PolarHBondContact O-N 2.92Å; D356-C358 PolarHBondContact O-N 3.23Å; D356-Q359 PolarHBondContact O-N 2.93Å; D356-N361 WeakPolarHBondContact CA-OD1 3.44Å; D356-N361 WeakPolarHBondContact CB-OD1 3.45Å; D356-N361 PolarHBondContact N-OD1 3.41Å; D356-N361 PolarHBondContact OD1-ND2 2.96Å
357I94.2Very high93.8Very high81 Ų8140.2 Ų40.242%0.41520%0.203SC..Hα-helixtrans-60-31.9174.2-70.4166.5000111.7I319 E353 L354I319-I357 HydrophobicContact CD1-CD1 3.7Å; E353-I357 HydrophobicContact CG-CD1 3.93Å; E353-I357 WeakPolarHBondContact O-CB 3.21Å; E353-I357 VanDerWaalsContact O-CG1 3.29Å; E353-I357 WeakPolarHBondContact O-CG1 3.31Å; E353-I357 PolarHBondContact O-N 2.79Å; L354-I357 PolarHBondContact O-N 3.44Å
358C95.1Very high94Very high14 Ų1440.2 Ų40.210%0.09520%0.203CC..Hα-helixtrans-81.2-12.2174.5-66.10000113.9I311 K315 L354 L355 D356 L360I311-C358 HydrophobicContact CG2-CB 3.95Å; K315-C358 VanDerWaalsContact CB-SG 3.57Å; L354-C358 WeakPolarHBondContact O-CB 3.33Å; L354-C358 PolarHBondContact O-N 3.22Å; L354-C358 PolarHBondContact O-SG 2.85Å; L355-C358 CarbonylContact O-C 3.35Å; L355-C358 PolarHBondContact O-N 3Å; D356-C358 PolarHBondContact O-N 3.23Å; C358-L360 VanDerWaalsContact C-N 3.32Å; C358-L360 HydrophobicContact CB-CB 4.27Å; C358-L360 HydrophobicContact CB-CD1 3.57Å; C358-L360 HydrophobicContact CB-CG 3.64Å; C358-L360 WeakPolarHBondContact O-CG 3.25Å
359Q95.1Very high93.9Very high175 Ų17540.2 Ų40.282%0.81820%0.203SC*.THydrogen-bonded Turntrans65.127.8-170.1-53.5179.3-300114.4L355 D356L355-Q359 PolarHBondContact O-N 3.39Å; D356-Q359 PolarHBondContact O-N 2.93Å
360L95.3Very high93.7Very high10 Ų1036.7 Ų36.75%0.05218%0.184CC..  trans-112.912.8-173.4-50.2174.8000113.6I311 I312 L355 C358 N362 E363 F364I311-L360 HydrophobicContact CG2-CD1 4.37Å; I312-L360 HydrophobicContact CD1-CD1 3.72Å; I312-L360 HydrophobicContact CG1-CD1 3.6Å; L355-L360 HydrophobicContact CD2-CB 4.07Å; L355-L360 PolarHBondContact O-N 3.39Å; C358-L360 VanDerWaalsContact C-N 3.32Å; C358-L360 HydrophobicContact CB-CB 4.27Å; C358-L360 HydrophobicContact CB-CD1 3.57Å; C358-L360 HydrophobicContact CB-CG 3.64Å; C358-L360 WeakPolarHBondContact O-CG 3.25Å; L360-N362 PolarHBondContact O-N 3.04Å; L360-E363 HydrophobicContact CB-CB 4.34Å; L360-E363 HydrophobicContact CB-CG 4.41Å; L360-E363 HydrophobicContact CD2-CG 4.39Å; L360-E363 WeakPolarHBondContact O-CB 3.44Å; L360-E363 PolarHBondContact O-N 3.36Å; L360-F364 HydrophobicContact CB-CD2 4.46Å; L360-F364 HydrophobicContact CB-CE2 4.35Å; L360-F364 HydrophobicContact CD1-CE2 4.46Å
361N89.7Confident93.4Very high60 Ų6036.2 Ų36.232%0.32118%0.182SC..THydrogen-bonded Turntrans-46.1-37.7179.5-73.4-31.7000114.4D356D356-N361 WeakPolarHBondContact CA-OD1 3.44Å; D356-N361 WeakPolarHBondContact CB-OD1 3.45Å; D356-N361 PolarHBondContact N-OD1 3.41Å; D356-N361 PolarHBondContact OD1-ND2 2.96Å
362N89.4Confident92.9Very high114 Ų11436.2 Ų36.261%0.6118%0.182SC*.THydrogen-bonded Turntrans-85.9-18.3-178.1-72.2-33.4000112.7K297 Y299 L360K297-N362 WeakPolarHBondContact CD-O 3.37Å; K297-N362 WeakPolarHBondContact CE-O 3.32Å; K297-N362 PolarHBondContact NZ-O 3.14Å; Y299-N362 PolarHBondContact OH-O 3.37Å; L360-N362 PolarHBondContact O-N 3.04Å
363E93.9Very high92.1Very high39 Ų3935.8 Ų35.818%0.18218%0.178CC..THydrogen-bonded Turntrans-80.7-17.6-168.5-64.8-158.517200114.9K297 L300 S308 L360K297-E363 WeakPolarHBondContact CB-O 3.34Å; K297-E363 WeakPolarHBondContact CG-O 3.48Å; K297-E363 PolarHBondContact N-O 3.36Å; L300-E363 HydrophobicContact CD1-CB 4.1Å; L300-E363 WeakPolarHBondContact CD1-O 3.42Å; L300-E363 HydrophobicContact CD2-CB 4.12Å; L300-E363 HydrophobicContact CD2-CG 3.91Å; S308-E363 VanDerWaalsContact CB-OE2 3.25Å; S308-E363 WeakPolarHBondContact CB-OE2 3.42Å; S308-E363 PolarHBondContact OG-OE2 3Å; L360-E363 HydrophobicContact CB-CB 4.34Å; L360-E363 HydrophobicContact CB-CG 4.41Å; L360-E363 HydrophobicContact CD2-CG 4.39Å; L360-E363 WeakPolarHBondContact O-CB 3.44Å; L360-E363 PolarHBondContact O-N 3.36Å
364F95.5Very high91.4Very high3 Ų337.1 Ų37.11%0.01318%0.18CC..EExtended strand (participates in β ladder)trans-130.6151.4-175.3-60.8-89.5000113L294 I295 P296 L305 I309 I312 L355 L360L294-F364 HydrophobicContact CB-CD1 3.9Å; L294-F364 HydrophobicContact CB-CG 4.45Å; L294-F364 HydrophobicContact CD1-CD1 4.35Å; L294-F364 HydrophobicContact CD1-CG 4.41Å; L294-F364 HydrophobicContact CD2-CB 3.81Å; L294-F364 HydrophobicContact CD2-CD1 4.5Å; L294-F364 HydrophobicContact CD2-CG 4.2Å; L294-F364 HydrophobicContact CG-CD1 4.49Å; I295-F364 CarbonylContact O-C 3.55Å; I295-F364 WeakPolarHBondContact O-CA 3.31Å; P296-F364 HydrophobicContact CB-CD1 4.28Å; P296-F364 HydrophobicContact CB-CE1 4.11Å; L305-F364 HydrophobicContact CD1-CE1 3.6Å; L305-F364 HydrophobicContact CD1-CZ 3.82Å; I309-F364 HydrophobicContact CD1-CE1 3.82Å; I309-F364 HydrophobicContact CD1-CZ 3.96Å; I309-F364 HydrophobicContact CG1-CE1 4.44Å; I309-F364 HydrophobicContact CG1-CZ 4.35Å; I312-F364 HydrophobicContact CD1-CD2 4.03Å; I312-F364 HydrophobicContact CD1-CE2 3.5Å; I312-F364 VanDerWaalsContact CD1-CE2 3.5Å; I312-F364 HydrophobicContact CD1-CZ 3.83Å; L355-F364 HydrophobicContact CD2-CD2 3.89Å; L360-F364 HydrophobicContact CB-CD2 4.46Å; L360-F364 HydrophobicContact CB-CE2 4.35Å; L360-F364 HydrophobicContact CD1-CE2 4.46Å
365Y94.4Very high91.1Very high25 Ų2537.4 Ų37.410%0.09818%0.181CC..EExtended strand (participates in β ladder)trans-100163.2156-59.1-70.2000109.8I295 K297 Q409 R411 I701I295-Y365 PolarHBondContact N-O 2.85Å; I295-Y365 PolarHBondContact O-N 3.45Å; K297-Y365 HydrophobicContact CB-CE2 4.36Å; K297-Y365 HydrophobicContact CD-CD2 4.28Å; K297-Y365 HydrophobicContact CD-CE1 4.06Å; K297-Y365 HydrophobicContact CD-CE2 3.71Å; K297-Y365 VanDerWaalsContact CE-CE1 3.46Å; K297-Y365 HydrophobicContact CG-CD2 3.76Å; K297-Y365 HydrophobicContact CG-CE2 3.52Å; K297-Y365 HydrophobicContact CG-CG 4.36Å; Y365-Q409 WeakPolarHBondContact CA-O 3.23Å; Y365-Q409 WeakPolarHBondContact CB-O 3.24Å; Y365-R411 HydrophobicContact CD1-CB 4.13Å; Y365-R411 HydrophobicContact CD1-CG 3.29Å; Y365-R411 HydrophobicContact CD2-CG 4.39Å; Y365-R411 HydrophobicContact CE1-CG 3.73Å; Y365-R411 HydrophobicContact CG-CB 3.97Å; Y365-R411 HydrophobicContact CG-CG 3.66Å; Y365-I701 HydrophobicContact CD2-CD1 3.49Å; Y365-I701 VanDerWaalsContact CD2-CD1 3.49Å; Y365-I701 HydrophobicContact CE2-CD1 3.32Å; Y365-I701 HydrophobicContact CG-CD1 4.48Å
366I95.6Very high90.7Very high1 Ų138.3 Ų38.31%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-104.4136.3178.8-59.8175.8000108.8I292 L293 I348 L351 I352 L368 Q409 I410 R411I292-I366 HydrophobicContact CG2-CG2 3.89Å; L293-I366 WeakPolarHBondContact O-CA 3.28Å; I348-I366 HydrophobicContact CG2-CD1 4.11Å; L351-I366 HydrophobicContact CD2-CD1 4.05Å; L351-I366 HydrophobicContact CD2-CG1 4.04Å; L351-I366 HydrophobicContact CD2-CG2 4.34Å; L351-I366 HydrophobicContact CG-CD1 4.44Å; I352-I366 HydrophobicContact CG1-CD1 4.28Å; I366-L368 HydrophobicContact CG2-CD2 4.15Å; I366-Q409 HydrophobicContact CD1-CB 4.21Å; I366-Q409 HydrophobicContact CG1-CB 4.34Å; I366-Q409 PolarHBondContact N-O 2.85Å; I366-I410 HydrophobicContact CB-CG1 4.29Å; I366-I410 HydrophobicContact CG2-CG1 4.33Å; I366-I410 CarbonylContact O-C 3.47Å; I366-I410 VanDerWaalsContact O-CA 3.28Å; I366-I410 WeakPolarHBondContact O-CA 3.45Å; I366-R411 PolarHBondContact O-N 2.7Å
367G94.4Very high90.4Very high0 Ų035.7 Ų35.70%017%0.171CC..EExtended strand (participates in β ladder)trans-112.2141.1166.900000111.1L293 L412L293-G367 PolarHBondContact N-O 2.75Å; L293-G367 PolarHBondContact O-N 3.3Å; G367-L412 CarbonylContact C-O 3.5Å; G367-L412 WeakPolarHBondContact CA-O 3.22Å
368L94.6Very high90Very high0 Ų035.1 Ų35.10%017%0.171CC..EExtended strand (participates in β ladder)trans-109.9127.6172.9-54.8-176.6000109.3L289 I292 I348 I366 I370 L403 I410 L412 L413 I414L289-L368 HydrophobicContact CD2-CB 4.03Å; L289-L368 HydrophobicContact CD2-CD1 4.19Å; L289-L368 HydrophobicContact CD2-CD2 4Å; L289-L368 HydrophobicContact CD2-CG 4.3Å; I292-L368 HydrophobicContact CG1-CD2 3.96Å; I348-L368 HydrophobicContact CD1-CD2 4.44Å; I348-L368 HydrophobicContact CG1-CD2 4.5Å; I366-L368 HydrophobicContact CG2-CD2 4.15Å; L368-I370 HydrophobicContact CB-CD1 3.89Å; L368-L403 HydrophobicContact CD1-CD2 3.81Å; L368-I410 HydrophobicContact CD1-CD1 3.95Å; L368-I410 HydrophobicContact CD1-CG2 4.36Å; L368-I410 HydrophobicContact CG-CD1 4.44Å; L368-I410 HydrophobicContact CG-CG2 4.17Å; L368-L412 PolarHBondContact N-O 3.11Å; L368-L413 HydrophobicContact CB-CD2 3.96Å; L368-L413 HydrophobicContact CD1-CD2 3.99Å; L368-L413 HydrophobicContact CG-CD2 4.24Å; L368-I414 PolarHBondContact O-N 3.3Å
369Y92Very high89.7Confident0 Ų040 Ų400%020%0.201CC..EExtended strand (participates in β ladder)trans-104.6118.8167.1-164.1174.2000108.7K290 E291 I414 D415 S441 I443K290-Y369 WeakPolarHBondContact CA-O 3.41Å; K290-Y369 VanDerWaalsContact CB-O 3.29Å; K290-Y369 WeakPolarHBondContact CB-O 3.31Å; K290-Y369 HydrophobicContact CD-CD1 3.83Å; K290-Y369 HydrophobicContact CD-CD2 4.22Å; K290-Y369 HydrophobicContact CD-CE1 3.83Å; K290-Y369 HydrophobicContact CD-CE2 4.18Å; K290-Y369 HydrophobicContact CD-CG 4.02Å; K290-Y369 PolarHBondContact N-O 2.88Å; E291-Y369 HydrophobicContact CB-CD1 4.49Å; E291-Y369 HydrophobicContact CG-CD1 4.3Å; E291-Y369 PolarHBondContact N-O 2.88Å; E291-Y369 VanDerWaalsContact N-O 3.14Å; E291-Y369 PolarHBondContact O-N 3.11Å; E291-Y369 VanDerWaalsContact OE1-CD1 3.29Å; E291-Y369 WeakPolarHBondContact OE1-CD1 3.49Å; Y369-I414 HydrophobicContact CD1-CD1 4.13Å; Y369-I414 HydrophobicContact CD1-CG2 4.49Å; Y369-I414 HydrophobicContact CD2-CB 3.6Å; Y369-I414 HydrophobicContact CD2-CD1 4.44Å; Y369-I414 HydrophobicContact CD2-CG2 3.39Å; Y369-I414 HydrophobicContact CE1-CG2 4.49Å; Y369-I414 HydrophobicContact CE2-CB 4.2Å; Y369-I414 HydrophobicContact CE2-CG2 3.44Å; Y369-I414 VanDerWaalsContact CE2-CG2 3.44Å; Y369-I414 HydrophobicContact CG-CB 3.95Å; Y369-I414 HydrophobicContact CG-CD1 3.93Å; Y369-I414 HydrophobicContact CG-CG2 4Å; Y369-D415 HydrophobicContact CE2-CB 4.42Å; Y369-S441 PolarHBondContact OH-OG 2.61Å; Y369-I443 WeakPolarHBondContact OH-CD1 3.37Å
370I90.4Very high89.5Confident0 Ų037.3 Ų37.30%019%0.186CC..EExtended strand (participates in β ladder)trans-103.4154.4175.6-61.893.7000108.5F288 L289 L368 P372 I375 Y400 L413 I414 D415F288-I370 HydrophobicContact CD2-CG1 4.38Å; F288-I370 HydrophobicContact CD2-CG2 4.48Å; F288-I370 HydrophobicContact CE2-CG1 4.02Å; F288-I370 HydrophobicContact CZ-CG1 4.19Å; F288-I370 WeakPolarHBondContact O-CG2 3.42Å; L289-I370 HydrophobicContact CD2-CG1 4.46Å; L368-I370 HydrophobicContact CB-CD1 3.89Å; I370-P372 HydrophobicContact CG2-CB 4.41Å; I370-I375 HydrophobicContact CG2-CD1 4.11Å; I370-Y400 HydrophobicContact CD1-CE1 4.11Å; I370-L413 HydrophobicContact CD1-CD2 4.39Å; I370-I414 PolarHBondContact N-O 3.05Å; I370-D415 WeakPolarHBondContact CB-O 3.41Å
371L83.7Confident89.3Confident10 Ų1042.4 Ų42.45%0.05221%0.21CC..  trans-122.381.5170.9-168.666.8000109.8Y95 K290 K373 R374 Q445Y95-L371 HydrophobicContact CD1-CD2 4.22Å; K290-L371 HydrophobicContact CB-CB 4.36Å; L371-K373 PolarHBondContact O-N 3.45Å; L371-R374 HydrophobicContact CB-CB 4.2Å; L371-R374 HydrophobicContact CD2-CB 3.84Å; L371-R374 HydrophobicContact CG-CB 3.95Å; L371-R374 VanDerWaalsContact O-CB 3.28Å; L371-R374 WeakPolarHBondContact O-CB 3.3Å; L371-R374 PolarHBondContact O-N 3.42Å; L371-Q445 HydrophobicContact CD1-CB 3.98Å; L371-Q445 HydrophobicContact CD1-CG 3.74Å
372P84.3Confident89.5Confident0 Ų043.8 Ų43.80%021%0.21CC..G310 helixtrans-67.5-34.1-159.519.3-28.2000114.5I370 R374 I375 F376 Y383 D415 F417 R418 Q445I370-P372 HydrophobicContact CG2-CB 4.41Å; P372-R374 VanDerWaalsContact C-N 3.27Å; P372-R374 PolarHBondContact O-N 3.41Å; P372-I375 VanDerWaalsContact O-CG1 3.27Å; P372-I375 WeakPolarHBondContact O-CG1 3.49Å; P372-I375 PolarHBondContact O-N 2.95Å; P372-F376 WeakPolarHBondContact O-CB 3.46Å; P372-F376 PolarHBondContact O-N 3.22Å; P372-F376 VanDerWaalsContact O-N 3.14Å; P372-Y383 HydrophobicContact CB-CE1 3.76Å; P372-D415 WeakPolarHBondContact CD-O 3.02Å; P372-D415 HydrophobicContact CG-CB 4.07Å; P372-D415 WeakPolarHBondContact CG-O 3.31Å; P372-F417 VanDerWaalsContact CB-C 3.42Å; P372-F417 WeakPolarHBondContact CG-O 3.32Å; P372-R418 HydrophobicContact CB-CG 4.07Å; P372-Q445 VanDerWaalsContact CD-OE1 3.24Å
373K78.3Confident89.7Confident38 Ų3838.4 Ų38.417%0.16518%0.181CC..G310 helixtrans-64.3-29.4171.9-66.9-170.8-161.8-178.70113.4L371 I375 F376 R418 E420 Q445 P446L371-K373 PolarHBondContact O-N 3.45Å; K373-I375 VanDerWaalsContact C-N 3.27Å; K373-I375 PolarHBondContact O-N 2.86Å; K373-F376 PolarHBondContact O-N 3.27Å; K373-R418 HydrophobicContact CG-CB 4.39Å; K373-R418 HydrophobicContact CG-CG 3.72Å; K373-E420 WeakPolarHBondContact CE-OE1 3.5Å; K373-E420 IonicContact NZ-OE1 2.72Å; K373-E420 PolarHBondContact NZ-OE1 2.68Å; K373-Q445 HydrophobicContact CB-CB 3.78Å; K373-Q445 HydrophobicContact CD-CB 3.92Å; K373-Q445 HydrophobicContact CG-CB 3.89Å; K373-P446 WeakPolarHBondContact CB-O 3.42Å
374R78.6Confident89.6Confident108 Ų10839.4 Ų39.441%0.40819%0.186SC..G310 helixtrans-67.3-30177179.1-179178.4-171.22.1112.4S275 L371 P372S275-R374 VanDerWaalsContact O-CZ 3.27Å; S275-R374 PolarHBondContact O-NH1 3.13Å; S275-R374 PolarHBondContact O-NH2 2.87Å; S275-R374 PolarHBondContact OG-NH1 2.83Å; L371-R374 HydrophobicContact CB-CB 4.2Å; L371-R374 HydrophobicContact CD2-CB 3.84Å; L371-R374 HydrophobicContact CG-CB 3.95Å; L371-R374 VanDerWaalsContact O-CB 3.28Å; L371-R374 WeakPolarHBondContact O-CB 3.3Å; L371-R374 PolarHBondContact O-N 3.42Å; P372-R374 VanDerWaalsContact C-N 3.27Å; P372-R374 PolarHBondContact O-N 3.41Å
375I86.5Confident89.3Confident8 Ų839.5 Ų39.54%0.04119%0.187CC..G310 helixtrans-1014.1-179.457.1160000113.2R287 F288 I370 P372 K373 Y383 E384R287-I375 HydrophobicContact CB-CG2 3.67Å; R287-I375 WeakPolarHBondContact O-CG2 3.48Å; F288-I375 HydrophobicContact CD2-CD1 4.34Å; I370-I375 HydrophobicContact CG2-CD1 4.11Å; P372-I375 VanDerWaalsContact O-CG1 3.27Å; P372-I375 WeakPolarHBondContact O-CG1 3.49Å; P372-I375 PolarHBondContact O-N 2.95Å; K373-I375 VanDerWaalsContact C-N 3.27Å; K373-I375 PolarHBondContact O-N 2.86Å; I375-Y383 HydrophobicContact CD1-CD1 3.86Å; I375-Y383 HydrophobicContact CG1-CD1 3.91Å; I375-Y383 CarbonylContact O-C 3.59Å; I375-Y383 WeakPolarHBondContact O-CA 3.11Å; I375-E384 PolarHBondContact O-N 3.12Å
376F88.6Confident89Confident25 Ų2539.3 Ų39.311%0.1119%0.188CC..EExtended strand (participates in β ladder)trans-96.4117.5-178.9-169.7-94.6000111.7P372 K373 T378 E381 Y383 R418P372-F376 WeakPolarHBondContact O-CB 3.46Å; P372-F376 PolarHBondContact O-N 3.22Å; P372-F376 VanDerWaalsContact O-N 3.14Å; K373-F376 PolarHBondContact O-N 3.27Å; F376-T378 HydrophobicContact CD1-CG2 3.96Å; F376-T378 HydrophobicContact CE1-CG2 4.31Å; F376-T378 PolarHBondContact O-N 2.84Å; F376-E381 HydrophobicContact CZ-CB 4.25Å; F376-Y383 HydrophobicContact CB-CD1 4.27Å; F376-Y383 HydrophobicContact CB-CE1 4.18Å; F376-Y383 AromaticContact CD2-CD1 3.93Å; F376-Y383 HydrophobicContact CD2-CD1 3.93Å; F376-Y383 AromaticContact CD2-CD2 3.91Å; F376-Y383 HydrophobicContact CD2-CD2 3.91Å; F376-Y383 AromaticContact CD2-CE1 3.8Å; F376-Y383 HydrophobicContact CD2-CE1 3.8Å; F376-Y383 AromaticContact CD2-CE2 3.75Å; F376-Y383 HydrophobicContact CD2-CE2 3.75Å; F376-Y383 HydrophobicContact CD2-CG 4.02Å; F376-Y383 AromaticContact CD2-CZ 3.73Å; F376-Y383 HydrophobicContact CE2-CD2 4.22Å; F376-Y383 AromaticContact CE2-CE2 3.98Å; F376-Y383 HydrophobicContact CE2-CE2 3.98Å; F376-Y383 HydrophobicContact CG-CE1 4.46Å; F376-R418 VanDerWaalsContact CE1-NH1 3.25Å; F376-R418 VanDerWaalsContact CZ-CZ 3.4Å; F376-R418 VanDerWaalsContact CZ-NH2 3.25Å
377D88.7Confident88.6Confident38 Ų3842.2 Ų42.220%0.20321%0.206CC..EExtended strand (participates in β ladder)trans-78.4105.5169.9-175.8-32.2000109V379 K380 E381 R382 L390D377-V379 PolarHBondContact O-N 2.77Å; D377-V379 WeakPolarHBondContact OD1-CA 3.49Å; D377-V379 WeakPolarHBondContact OD1-CB 3.46Å; D377-V379 PolarHBondContact OD1-N 2.88Å; D377-K380 HydrophobicContact CB-CB 4.25Å; D377-K380 PolarHBondContact O-N 3.08Å; D377-K380 PolarHBondContact OD1-N 3.39Å; D377-K380 VanDerWaalsContact OD2-CD 3.29Å; D377-K380 WeakPolarHBondContact OD2-CD 3.28Å; D377-K380 WeakPolarHBondContact OD2-CE 3.49Å; D377-K380 WeakPolarHBondContact OD2-CG 3.2Å; D377-K380 IonicContact OD2-NZ 2.7Å; D377-K380 PolarHBondContact OD2-NZ 3.29Å; D377-E381 WeakPolarHBondContact O-CA 3.44Å; D377-E381 PolarHBondContact O-N 3.24Å; D377-R382 WeakPolarHBondContact CB-O 3.35Å; D377-R382 PolarHBondContact N-O 2.92Å; D377-R382 PolarHBondContact O-N 3.45Å; D377-L390 HydrophobicContact CB-CD2 4.03Å
378T85.6Confident88.2Confident69 Ų6945.2 Ų45.242%0.42324%0.237SC..THydrogen-bonded Turntrans-68.6-17.7-179.152.60000114F376F376-T378 HydrophobicContact CD1-CG2 3.96Å; F376-T378 HydrophobicContact CE1-CG2 4.31Å; F376-T378 PolarHBondContact O-N 2.84Å
379V89Confident88.1Confident117 Ų11748.5 Ų48.571%0.70926%0.257SS*.THydrogen-bonded Turntrans-89.3-32.9179.5-178.20000110.9D377D377-V379 PolarHBondContact O-N 2.77Å; D377-V379 WeakPolarHBondContact OD1-CA 3.49Å; D377-V379 WeakPolarHBondContact OD1-CB 3.46Å; D377-V379 PolarHBondContact OD1-N 2.88Å
380K91.8Very high88.2Confident119 Ų11950.7 Ų50.752%0.51727%0.269SS..THydrogen-bonded Turntrans-100.1-5.1179.2-58.3-174-163.7101.30114.3D377 R382 L390D377-K380 HydrophobicContact CB-CB 4.25Å; D377-K380 PolarHBondContact O-N 3.08Å; D377-K380 PolarHBondContact OD1-N 3.39Å; D377-K380 VanDerWaalsContact OD2-CD 3.29Å; D377-K380 WeakPolarHBondContact OD2-CD 3.28Å; D377-K380 WeakPolarHBondContact OD2-CE 3.49Å; D377-K380 WeakPolarHBondContact OD2-CG 3.2Å; D377-K380 IonicContact OD2-NZ 2.7Å; D377-K380 PolarHBondContact OD2-NZ 3.29Å; K380-R382 VanDerWaalsContact C-N 3.29Å; K380-R382 WeakPolarHBondContact O-CG 3.34Å; K380-R382 PolarHBondContact O-N 3.01Å; K380-L390 HydrophobicContact CD-CD1 3.51Å
381E89.6Confident88.4Confident116 Ų11653.5 Ų53.554%0.54228%0.281SS..THydrogen-bonded Turntrans54.341.7-177.8-57.2-178.9141.400113F376 D377F376-E381 HydrophobicContact CZ-CB 4.25Å; D377-E381 WeakPolarHBondContact O-CA 3.44Å; D377-E381 PolarHBondContact O-N 3.24Å
382R94.3Very high89Confident90 Ų9054.4 Ų54.434%0.3429%0.287SS..EExtended strand (participates in β ladder)trans-141.7150.1-172-75.7-179.2-176.6-120.1-3.9113.1D377 K380 L390 K391 T392 E395D377-R382 WeakPolarHBondContact CB-O 3.35Å; D377-R382 PolarHBondContact N-O 2.92Å; D377-R382 PolarHBondContact O-N 3.45Å; K380-R382 VanDerWaalsContact C-N 3.29Å; K380-R382 WeakPolarHBondContact O-CG 3.34Å; K380-R382 PolarHBondContact O-N 3.01Å; R382-L390 HydrophobicContact CB-CB 3.95Å; R382-L390 HydrophobicContact CB-CD2 3.91Å; R382-K391 CarbonylContact C-O 3.54Å; R382-K391 VanDerWaalsContact CA-O 3.3Å; R382-K391 WeakPolarHBondContact CA-O 3.46Å; R382-K391 VanDerWaalsContact CB-O 3.29Å; R382-K391 WeakPolarHBondContact CB-O 3.5Å; R382-T392 HydrophobicContact CG-CG2 4.31Å; R382-T392 VanDerWaalsContact CZ-CG2 3.48Å; R382-E395 IonicContact NH1-OE2 3.59Å; R382-E395 PolarHBondContact NH1-OE2 2.94Å
383Y93.3Very high89.4Confident0 Ų055.7 Ų55.70%030%0.295CS..EExtended strand (participates in β ladder)trans-86.3115.9175.8-71.8-81.6000111.8P372 I375 F376 I385 L390 K391 P393 L396 F417 R418 D421P372-Y383 HydrophobicContact CB-CE1 3.76Å; I375-Y383 HydrophobicContact CD1-CD1 3.86Å; I375-Y383 HydrophobicContact CG1-CD1 3.91Å; I375-Y383 CarbonylContact O-C 3.59Å; I375-Y383 WeakPolarHBondContact O-CA 3.11Å; F376-Y383 HydrophobicContact CB-CD1 4.27Å; F376-Y383 HydrophobicContact CB-CE1 4.18Å; F376-Y383 AromaticContact CD2-CD1 3.93Å; F376-Y383 HydrophobicContact CD2-CD1 3.93Å; F376-Y383 AromaticContact CD2-CD2 3.91Å; F376-Y383 HydrophobicContact CD2-CD2 3.91Å; F376-Y383 AromaticContact CD2-CE1 3.8Å; F376-Y383 HydrophobicContact CD2-CE1 3.8Å; F376-Y383 AromaticContact CD2-CE2 3.75Å; F376-Y383 HydrophobicContact CD2-CE2 3.75Å; F376-Y383 HydrophobicContact CD2-CG 4.02Å; F376-Y383 AromaticContact CD2-CZ 3.73Å; F376-Y383 HydrophobicContact CE2-CD2 4.22Å; F376-Y383 AromaticContact CE2-CE2 3.98Å; F376-Y383 HydrophobicContact CE2-CE2 3.98Å; F376-Y383 HydrophobicContact CG-CE1 4.46Å; Y383-I385 PolarHBondContact O-N 3.1Å; Y383-L390 CarbonylContact O-C 3.36Å; Y383-L390 WeakPolarHBondContact O-CA 3.5Å; Y383-K391 PolarHBondContact N-O 2.89Å; Y383-K391 PolarHBondContact O-N 3.24Å; Y383-P393 HydrophobicContact CD2-CG 4.34Å; Y383-P393 HydrophobicContact CE2-CB 4.15Å; Y383-P393 HydrophobicContact CE2-CG 4.01Å; Y383-L396 HydrophobicContact CD1-CD2 3.85Å; Y383-L396 HydrophobicContact CD2-CB 4.43Å; Y383-L396 HydrophobicContact CD2-CD2 3.56Å; Y383-L396 HydrophobicContact CE1-CD2 4.15Å; Y383-L396 HydrophobicContact CE2-CD2 3.9Å; Y383-L396 HydrophobicContact CG-CD2 3.52Å; Y383-F417 HydrophobicContact CE2-CD1 4.35Å; Y383-R418 HydrophobicContact CE1-CG 4.24Å; Y383-R418 WeakPolarHBondContact OH-CG 3.25Å; Y383-R418 PolarHBondContact OH-N 2.82Å; Y383-D421 PolarHBondContact OH-OD2 3.18Å
384E91.8Very high90.2Very high61 Ų6160.7 Ų60.729%0.28532%0.319SS..EExtended strand (participates in β ladder)trans-81.990.6171.7-170.2174.1-148.800110.3R287 I375 T386 T387 G388 L390R287-E384 WeakPolarHBondContact CB-O 2.99Å; I375-E384 PolarHBondContact O-N 3.12Å; E384-T386 WeakPolarHBondContact CG-O 3.3Å; E384-T387 WeakPolarHBondContact OE1-CA 3.47Å; E384-G388 PolarHBondContact OE1-N 2.85Å; E384-L390 HydrophobicContact CB-CD2 3.82Å; E384-L390 HydrophobicContact CG-CD2 4.47Å
385I89.7Confident91Very high4 Ų459.1 Ų59.12%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-73.9-44.1-177.1-64178.5000110.8R287 F288 Y383 T389 K391 L396 Y399R287-I385 PolarHBondContact N-O 3.5Å; F288-I385 HydrophobicContact CB-CB 4.24Å; F288-I385 HydrophobicContact CB-CG2 3.62Å; F288-I385 WeakPolarHBondContact CB-O 3.47Å; F288-I385 HydrophobicContact CD1-CG2 4.46Å; F288-I385 HydrophobicContact CD2-CG1 4.37Å; F288-I385 HydrophobicContact CD2-CG2 4.15Å; F288-I385 HydrophobicContact CG-CG2 3.87Å; F288-I385 PolarHBondContact N-O 3.1Å; Y383-I385 PolarHBondContact O-N 3.1Å; I385-T389 PolarHBondContact N-O 2.87Å; I385-T389 VanDerWaalsContact N-O 3.16Å; I385-K391 HydrophobicContact CD1-CB 4.1Å; I385-K391 HydrophobicContact CD1-CD 3.42Å; I385-K391 VanDerWaalsContact CD1-CD 3.42Å; I385-K391 HydrophobicContact CD1-CG 3.73Å; I385-L396 HydrophobicContact CD1-CD1 3.62Å; I385-L396 HydrophobicContact CG1-CD1 4.24Å; I385-Y399 HydrophobicContact CD1-CD1 3.75Å; I385-Y399 HydrophobicContact CD1-CE1 4.23Å; I385-Y399 HydrophobicContact CD1-CG 4.16Å; I385-Y399 HydrophobicContact CG2-CE1 3.97Å
386T88.4Confident91.5Very high22 Ų2258.7 Ų58.714%0.13531%0.314CS..EExtended strand (participates in β ladder)trans-126.6146.2172.9-64.30000106.4K285 D342 E384 G388 T389K285-T386 HydrophobicContact CB-CG2 3.61Å; K285-T386 CarbonylContact O-C 3.56Å; K285-T386 VanDerWaalsContact O-CA 3.3Å; K285-T386 WeakPolarHBondContact O-CA 3.37Å; D342-T386 VanDerWaalsContact O-CG2 3.3Å; D342-T386 WeakPolarHBondContact O-CG2 3.49Å; D342-T386 PolarHBondContact O-OG1 2.73Å; E384-T386 WeakPolarHBondContact CG-O 3.3Å; T386-G388 PolarHBondContact O-N 3.27Å; T386-T389 WeakPolarHBondContact O-CA 3.46Å; T386-T389 VanDerWaalsContact O-CB 3.3Å; T386-T389 WeakPolarHBondContact O-CB 3.31Å; T386-T389 PolarHBondContact O-N 2.94Å
387T86.6Confident91.8Very high62 Ų6257.5 Ų57.538%0.3831%0.309SS..THydrogen-bonded Turntrans-50.7122.4-179.4-58.40000111K285 R287 E384 T389K285-T387 PolarHBondContact O-N 3.47Å; K285-T387 PolarHBondContact O-OG1 3.31Å; K285-T387 VanDerWaalsContact O-OG1 3.06Å; R287-T387 PolarHBondContact NE-OG1 2.82Å; E384-T387 WeakPolarHBondContact OE1-CA 3.47Å; T387-T389 VanDerWaalsContact C-N 3.31Å; T387-T389 PolarHBondContact O-N 3.26Å
388G87.6Confident92.1Very high63 Ų6358.8 Ų58.865%0.64932%0.316SS*.THydrogen-bonded Turntrans79.9-3.5-173.800000116.1E384 T386E384-G388 PolarHBondContact OE1-N 2.85Å; T386-G388 PolarHBondContact O-N 3.27Å
389T91.6Very high92.6Very high69 Ų6956.9 Ų56.942%0.42330%0.301SS..EExtended strand (participates in β ladder)trans-11194.5-177.1-52.50000110.6I385 T386 T387I385-T389 PolarHBondContact N-O 2.87Å; I385-T389 VanDerWaalsContact N-O 3.16Å; T386-T389 WeakPolarHBondContact O-CA 3.46Å; T386-T389 VanDerWaalsContact O-CB 3.3Å; T386-T389 WeakPolarHBondContact O-CB 3.31Å; T386-T389 PolarHBondContact O-N 2.94Å; T387-T389 VanDerWaalsContact C-N 3.31Å; T387-T389 PolarHBondContact O-N 3.26Å
390L93.3Very high92.9Very high46 Ų4651.3 Ų51.324%0.24127%0.268CS..EExtended strand (participates in β ladder)trans-98124.9-176.8-71.4156.7000111.7D377 K380 R382 Y383 E384D377-L390 HydrophobicContact CB-CD2 4.03Å; K380-L390 HydrophobicContact CD-CD1 3.51Å; R382-L390 HydrophobicContact CB-CB 3.95Å; R382-L390 HydrophobicContact CB-CD2 3.91Å; Y383-L390 CarbonylContact O-C 3.36Å; Y383-L390 WeakPolarHBondContact O-CA 3.5Å; E384-L390 HydrophobicContact CB-CD2 3.82Å; E384-L390 HydrophobicContact CG-CD2 4.47Å
391K96.1Very high93Very high58 Ų5847.4 Ų47.425%0.25225%0.252SS..EExtended strand (participates in β ladder)trans-108.6142.3172.2-69.2-158.6-171.5-79.50111.9R382 Y383 I385 E395 L396 Y399R382-K391 CarbonylContact C-O 3.54Å; R382-K391 VanDerWaalsContact CA-O 3.3Å; R382-K391 WeakPolarHBondContact CA-O 3.46Å; R382-K391 VanDerWaalsContact CB-O 3.29Å; R382-K391 WeakPolarHBondContact CB-O 3.5Å; Y383-K391 PolarHBondContact N-O 2.89Å; Y383-K391 PolarHBondContact O-N 3.24Å; I385-K391 HydrophobicContact CD1-CB 4.1Å; I385-K391 HydrophobicContact CD1-CD 3.42Å; I385-K391 VanDerWaalsContact CD1-CD 3.42Å; I385-K391 HydrophobicContact CD1-CG 3.73Å; K391-E395 VanDerWaalsContact CA-OE2 3.25Å; K391-E395 WeakPolarHBondContact CA-OE2 3.34Å; K391-E395 HydrophobicContact CB-CB 3.78Å; K391-E395 HydrophobicContact CD-CB 4.05Å; K391-E395 WeakPolarHBondContact CD-O 3.32Å; K391-E395 HydrophobicContact CG-CB 4.14Å; K391-L396 HydrophobicContact CB-CB 4.46Å; K391-Y399 HydrophobicContact CD-CG 4.41Å
392T95.6Very high93.2Very high30 Ų3047.1 Ų47.118%0.18425%0.254CS..  trans-63.1162.4163.568.50000110.6R382 E394 E395 L396R382-T392 HydrophobicContact CG-CG2 4.31Å; R382-T392 VanDerWaalsContact CZ-CG2 3.48Å; T392-E394 VanDerWaalsContact C-N 3.26Å; T392-E394 PolarHBondContact O-N 2.86Å; T392-E395 PolarHBondContact N-OE2 2.77Å; T392-E395 PolarHBondContact O-N 3.07Å; T392-E395 VanDerWaalsContact O-N 3.15Å; T392-E395 WeakPolarHBondContact OG1-CB 3.3Å; T392-E395 VanDerWaalsContact OG1-CG 3.25Å; T392-E395 WeakPolarHBondContact OG1-CG 3.32Å; T392-E395 PolarHBondContact OG1-N 3.39Å; T392-L396 PolarHBondContact O-N 3.45Å
393P93.1Very high93.3Very high26 Ų2643 Ų4317%0.16924%0.239CC..Hα-helixtrans-53-41.9173.3-27.435.9000113Y383 L396 V397 C424Y383-P393 HydrophobicContact CD2-CG 4.34Å; Y383-P393 HydrophobicContact CE2-CB 4.15Å; Y383-P393 HydrophobicContact CE2-CG 4.01Å; P393-L396 WeakPolarHBondContact O-CB 3.31Å; P393-L396 PolarHBondContact O-N 3.15Å; P393-V397 PolarHBondContact O-N 3.25Å; P393-C424 WeakPolarHBondContact CB-SG 3.48Å
394E94.5Very high93.3Very high143 Ų14343.4 Ų43.467%0.66824%0.241SC*.Hα-helixtrans-66.5-41.3174.9-62.5179.1172.800113.6T392 L396 V397 N398T392-E394 VanDerWaalsContact C-N 3.26Å; T392-E394 PolarHBondContact O-N 2.86Å; E394-L396 PolarHBondContact O-N 3.37Å; E394-V397 WeakPolarHBondContact O-CB 3.47Å; E394-V397 PolarHBondContact O-N 2.92Å; E394-N398 PolarHBondContact O-N 3.43Å; E394-N398 VanDerWaalsContact O-N 3.07Å; E394-N398 PolarHBondContact O-ND2 3.17Å
395E96.5Very high93.3Very high75 Ų7543.6 Ų43.635%0.3526%0.259SS..Hα-helixtrans-63.6-30.8174.4-74.6170.1168.300111.2R382 K391 T392 Y399R382-E395 IonicContact NH1-OE2 3.59Å; R382-E395 PolarHBondContact NH1-OE2 2.94Å; K391-E395 VanDerWaalsContact CA-OE2 3.25Å; K391-E395 WeakPolarHBondContact CA-OE2 3.34Å; K391-E395 HydrophobicContact CB-CB 3.78Å; K391-E395 HydrophobicContact CD-CB 4.05Å; K391-E395 WeakPolarHBondContact CD-O 3.32Å; K391-E395 HydrophobicContact CG-CB 4.14Å; T392-E395 PolarHBondContact N-OE2 2.77Å; T392-E395 PolarHBondContact O-N 3.07Å; T392-E395 VanDerWaalsContact O-N 3.15Å; T392-E395 WeakPolarHBondContact OG1-CB 3.3Å; T392-E395 VanDerWaalsContact OG1-CG 3.25Å; T392-E395 WeakPolarHBondContact OG1-CG 3.32Å; T392-E395 PolarHBondContact OG1-N 3.39Å; E395-Y399 WeakPolarHBondContact O-CB 3.41Å; E395-Y399 PolarHBondContact O-N 2.64Å
396L95.7Very high93.6Very high0 Ų049 Ų490%028%0.282CS..Hα-helixtrans-73.8-37173.317662.9000112.1F288 Y383 I385 K391 T392 P393 E394 N398 Y399 Y400 F417F288-L396 HydrophobicContact CE2-CD1 4.04Å; Y383-L396 HydrophobicContact CD1-CD2 3.85Å; Y383-L396 HydrophobicContact CD2-CB 4.43Å; Y383-L396 HydrophobicContact CD2-CD2 3.56Å; Y383-L396 HydrophobicContact CE1-CD2 4.15Å; Y383-L396 HydrophobicContact CE2-CD2 3.9Å; Y383-L396 HydrophobicContact CG-CD2 3.52Å; I385-L396 HydrophobicContact CD1-CD1 3.62Å; I385-L396 HydrophobicContact CG1-CD1 4.24Å; K391-L396 HydrophobicContact CB-CB 4.46Å; T392-L396 PolarHBondContact O-N 3.45Å; P393-L396 WeakPolarHBondContact O-CB 3.31Å; P393-L396 PolarHBondContact O-N 3.15Å; E394-L396 PolarHBondContact O-N 3.37Å; L396-N398 VanDerWaalsContact C-N 3.34Å; L396-N398 PolarHBondContact O-N 3.45Å; L396-Y399 HydrophobicContact CD1-CD1 4.21Å; L396-Y399 WeakPolarHBondContact O-CB 3.32Å; L396-Y399 PolarHBondContact O-N 2.57Å; L396-Y400 HydrophobicContact CD1-CD2 4.01Å; L396-Y400 HydrophobicContact CD1-CE2 3.6Å; L396-Y400 HydrophobicContact CD2-CE2 4.01Å; L396-Y400 HydrophobicContact CG-CD2 3.97Å; L396-Y400 HydrophobicContact CG-CE2 3.57Å; L396-Y400 VanDerWaalsContact O-CD2 3.22Å; L396-Y400 WeakPolarHBondContact O-CD2 3.44Å; L396-Y400 PolarHBondContact O-N 2.95Å; L396-F417 HydrophobicContact CB-CE1 4.07Å; L396-F417 HydrophobicContact CD2-CD1 3.7Å; L396-F417 HydrophobicContact CD2-CE1 3.61Å; L396-F417 HydrophobicContact CG-CD1 4.25Å; L396-F417 HydrophobicContact CG-CE1 3.62Å; L396-F417 HydrophobicContact CG-CZ 4.43Å
397V95Very high94Very high0 Ų048.2 Ų48.20%028%0.277CS..Hα-helixtrans-56.7-49169177.60000110.5P393 E394 Y399 Y400 I401 F417 C424 L428P393-V397 PolarHBondContact O-N 3.25Å; E394-V397 WeakPolarHBondContact O-CB 3.47Å; E394-V397 PolarHBondContact O-N 2.92Å; V397-Y399 VanDerWaalsContact C-N 3.3Å; V397-Y399 PolarHBondContact O-N 2.88Å; V397-Y400 PolarHBondContact O-N 3.43Å; V397-I401 WeakPolarHBondContact O-CG1 3.41Å; V397-I401 PolarHBondContact O-N 3.26Å; V397-I401 VanDerWaalsContact O-N 3.1Å; V397-F417 HydrophobicContact CB-CZ 4.3Å; V397-F417 HydrophobicContact CG2-CE1 3.99Å; V397-F417 HydrophobicContact CG2-CE2 4.28Å; V397-F417 HydrophobicContact CG2-CZ 3.45Å; V397-F417 VanDerWaalsContact CG2-CZ 3.45Å; V397-C424 HydrophobicContact CG2-CB 3.72Å; V397-L428 HydrophobicContact CG1-CB 4.23Å; V397-L428 HydrophobicContact CG1-CD1 4.43Å
398N95.9Very high94.2Very high65 Ų6548.9 Ų48.935%0.34828%0.282SS..Hα-helixtrans-57.3-44.5175.7-71.3-44.8000111.6E394 L396 Y400 I401 D402 R431E394-N398 PolarHBondContact O-N 3.43Å; E394-N398 VanDerWaalsContact O-N 3.07Å; E394-N398 PolarHBondContact O-ND2 3.17Å; L396-N398 VanDerWaalsContact C-N 3.34Å; L396-N398 PolarHBondContact O-N 3.45Å; N398-Y400 VanDerWaalsContact C-N 3.35Å; N398-Y400 PolarHBondContact O-N 2.79Å; N398-I401 PolarHBondContact O-N 3.18Å; N398-I401 VanDerWaalsContact O-N 3.16Å; N398-D402 PolarHBondContact O-N 2.7Å; N398-R431 VanDerWaalsContact OD1-CZ 3.23Å; N398-R431 PolarHBondContact OD1-NH1 3.44Å; N398-R431 PolarHBondContact OD1-NH2 3.45Å
399Y95Very high94.4Very high29 Ų2949 Ų4911%0.11427%0.266CS..Hα-helixtrans-60.9-39.9178.6-174.4-110.9000113.3F288 P344 E345 I385 K391 E395 L396 V397 D402 L403F288-Y399 HydrophobicContact CD1-CE1 4.47Å; F288-Y399 HydrophobicContact CE1-CE1 4.09Å; F288-Y399 HydrophobicContact CE2-CD1 4.47Å; F288-Y399 HydrophobicContact CE2-CE1 4.38Å; F288-Y399 HydrophobicContact CZ-CD1 4.36Å; F288-Y399 HydrophobicContact CZ-CE1 4.02Å; P344-Y399 HydrophobicContact CG-CE1 4.41Å; P344-Y399 WeakPolarHBondContact CG-OH 3.35Å; E345-Y399 PolarHBondContact OE1-OH 3.35Å; I385-Y399 HydrophobicContact CD1-CD1 3.75Å; I385-Y399 HydrophobicContact CD1-CE1 4.23Å; I385-Y399 HydrophobicContact CD1-CG 4.16Å; I385-Y399 HydrophobicContact CG2-CE1 3.97Å; K391-Y399 HydrophobicContact CD-CG 4.41Å; E395-Y399 WeakPolarHBondContact O-CB 3.41Å; E395-Y399 PolarHBondContact O-N 2.64Å; L396-Y399 HydrophobicContact CD1-CD1 4.21Å; L396-Y399 WeakPolarHBondContact O-CB 3.32Å; L396-Y399 PolarHBondContact O-N 2.57Å; V397-Y399 VanDerWaalsContact C-N 3.3Å; V397-Y399 PolarHBondContact O-N 2.88Å; Y399-D402 PolarHBondContact O-N 3.4Å; Y399-L403 VanDerWaalsContact O-CB 3.24Å; Y399-L403 WeakPolarHBondContact O-CB 3.41Å; Y399-L403 PolarHBondContact O-N 3.39Å
400Y94.9Very high94.5Very high0 Ų045.8 Ų45.80%025%0.246CC..Hα-helixtrans-63.3-44.6172.8-77.2-62.8000112F288 I370 L396 V397 N398 D402 L403 L404 L413 P416 F417 L428F288-Y400 AromaticContact CE2-CE1 3.64Å; F288-Y400 HydrophobicContact CE2-CE1 3.64Å; F288-Y400 AromaticContact CE2-CZ 3.65Å; F288-Y400 WeakPolarHBondContact CE2-OH 3.28Å; F288-Y400 HydrophobicContact CZ-CD1 4.17Å; F288-Y400 AromaticContact CZ-CE1 3.47Å; F288-Y400 HydrophobicContact CZ-CE1 3.47Å; F288-Y400 VanDerWaalsContact CZ-CE1 3.47Å; I370-Y400 HydrophobicContact CD1-CE1 4.11Å; L396-Y400 HydrophobicContact CD1-CD2 4.01Å; L396-Y400 HydrophobicContact CD1-CE2 3.6Å; L396-Y400 HydrophobicContact CD2-CE2 4.01Å; L396-Y400 HydrophobicContact CG-CD2 3.97Å; L396-Y400 HydrophobicContact CG-CE2 3.57Å; L396-Y400 VanDerWaalsContact O-CD2 3.22Å; L396-Y400 WeakPolarHBondContact O-CD2 3.44Å; L396-Y400 PolarHBondContact O-N 2.95Å; V397-Y400 PolarHBondContact O-N 3.43Å; N398-Y400 VanDerWaalsContact C-N 3.35Å; N398-Y400 PolarHBondContact O-N 2.79Å; Y400-D402 PolarHBondContact O-N 2.72Å; Y400-L403 PolarHBondContact O-N 3.21Å; Y400-L404 WeakPolarHBondContact O-CB 3.45Å; Y400-L404 VanDerWaalsContact O-CG 3.23Å; Y400-L404 WeakPolarHBondContact O-CG 3.24Å; Y400-L404 PolarHBondContact O-N 2.72Å; Y400-L413 HydrophobicContact CD1-CD1 4.01Å; Y400-L413 HydrophobicContact CD1-CD2 4.46Å; Y400-L413 HydrophobicContact CE1-CD1 4.34Å; Y400-L413 HydrophobicContact CE1-CD2 4.41Å; Y400-P416 HydrophobicContact CD2-CB 4.48Å; Y400-P416 HydrophobicContact CE1-CB 4.25Å; Y400-P416 HydrophobicContact CE2-CB 3.75Å; Y400-P416 WeakPolarHBondContact CE2-O 3.49Å; Y400-P416 WeakPolarHBondContact OH-CA 3.46Å; Y400-P416 PolarHBondContact OH-O 3.13Å; Y400-F417 HydrophobicContact CD2-CE1 4.21Å; Y400-F417 HydrophobicContact CD2-CE2 4.27Å; Y400-F417 AromaticContact CD2-CZ 3.69Å; Y400-F417 HydrophobicContact CD2-CZ 3.69Å; Y400-F417 HydrophobicContact CE2-CD1 4.49Å; Y400-F417 AromaticContact CE2-CE1 3.93Å; Y400-F417 HydrophobicContact CE2-CE1 3.93Å; Y400-F417 HydrophobicContact CE2-CE2 4.2Å; Y400-F417 AromaticContact CE2-CZ 3.74Å; Y400-F417 HydrophobicContact CE2-CZ 3.74Å; Y400-L428 HydrophobicContact CD2-CD2 4.24Å; Y400-L428 HydrophobicContact CG-CD1 4.4Å; Y400-L428 HydrophobicContact CG-CD2 4.43Å
401I94.3Very high94.4Very high36 Ų3645.7 Ų45.719%0.18524%0.243CC..Hα-helixtrans-60.7-44.8177.8-62.7-61000111.2V397 N398 L403 G405 L428 R431 I432V397-I401 WeakPolarHBondContact O-CG1 3.41Å; V397-I401 PolarHBondContact O-N 3.26Å; V397-I401 VanDerWaalsContact O-N 3.1Å; N398-I401 PolarHBondContact O-N 3.18Å; N398-I401 VanDerWaalsContact O-N 3.16Å; I401-L403 PolarHBondContact O-N 3.15Å; I401-G405 PolarHBondContact O-N 3.39Å; I401-L428 HydrophobicContact CD1-CD1 3.94Å; I401-L428 HydrophobicContact CG1-CD1 4.37Å; I401-R431 HydrophobicContact CD1-CB 3.75Å; I401-R431 HydrophobicContact CG1-CB 4.16Å; I401-I432 HydrophobicContact CD1-CG1 3.72Å
402D95.1Very high94.1Very high110 Ų11043 Ų4359%0.58823%0.231SC*.Hα-helixtrans-63-41.8176.8-66.4-22.7000111.7N398 Y399 Y400 K406N398-D402 PolarHBondContact O-N 2.7Å; Y399-D402 PolarHBondContact O-N 3.4Å; Y400-D402 PolarHBondContact O-N 2.72Å; D402-K406 WeakPolarHBondContact O-CB 3.4Å; D402-K406 PolarHBondContact O-N 3.15Å
403L94.6Very high93.9Very high4 Ų441.6 Ų41.62%0.02122%0.222CC..Hα-helixtrans-66.7-44.6179.5-171.971000111.9F288 E345 I348 L368 Y399 Y400 I401 K406 Y407 I410F288-L403 HydrophobicContact CE1-CD2 4.03Å; F288-L403 HydrophobicContact CZ-CD2 4.22Å; E345-L403 HydrophobicContact CG-CD1 4.22Å; I348-L403 HydrophobicContact CD1-CD1 4.07Å; L368-L403 HydrophobicContact CD1-CD2 3.81Å; Y399-L403 VanDerWaalsContact O-CB 3.24Å; Y399-L403 WeakPolarHBondContact O-CB 3.41Å; Y399-L403 PolarHBondContact O-N 3.39Å; Y400-L403 PolarHBondContact O-N 3.21Å; I401-L403 PolarHBondContact O-N 3.15Å; L403-K406 PolarHBondContact O-N 2.87Å; L403-Y407 HydrophobicContact CD1-CD2 3.77Å; L403-Y407 HydrophobicContact CD1-CE2 3.84Å; L403-Y407 HydrophobicContact CG-CD2 4.32Å; L403-Y407 WeakPolarHBondContact O-CD2 3.17Å; L403-Y407 PolarHBondContact O-N 3.28Å; L403-I410 HydrophobicContact CD2-CD1 4.5Å; L403-I410 HydrophobicContact CG-CD1 4.24Å
404L93.3Very high93.7Very high9 Ų940.3 Ų40.35%0.04721%0.214CC..Hα-helixtrans-66.8-39.5176.8-67.4177.2000111.7Y400 K406 Y407 I410 L413 I432 I436Y400-L404 WeakPolarHBondContact O-CB 3.45Å; Y400-L404 VanDerWaalsContact O-CG 3.23Å; Y400-L404 WeakPolarHBondContact O-CG 3.24Å; Y400-L404 PolarHBondContact O-N 2.72Å; L404-K406 VanDerWaalsContact C-N 3.31Å; L404-K406 PolarHBondContact O-N 3.46Å; L404-Y407 CarbonylContact O-C 3.24Å; L404-Y407 VanDerWaalsContact O-C 3.24Å; L404-Y407 PolarHBondContact O-N 2.96Å; L404-I410 HydrophobicContact CD2-CB 3.72Å; L404-I410 HydrophobicContact CD2-CD1 4.26Å; L404-I410 HydrophobicContact CD2-CG2 3.54Å; L404-L413 HydrophobicContact CD1-CD1 4.34Å; L404-I432 HydrophobicContact CD1-CD1 3.84Å; L404-I432 HydrophobicContact CD1-CG1 3.92Å; L404-I436 HydrophobicContact CD1-CD1 3.82Å; L404-I436 HydrophobicContact CD2-CD1 3.45Å; L404-I436 VanDerWaalsContact CD2-CD1 3.45Å; L404-I436 HydrophobicContact CG-CD1 4.29Å
405G93.2Very high93.3Very high64 Ų6433.5 Ų33.566%0.6618%0.182SC*.Hα-helixtrans-63.8-34.6173.800000113.1I401I401-G405 PolarHBondContact O-N 3.39Å
406K95.9Very high92.9Very high117 Ų11730 Ų3051%0.50917%0.165SC..Hα-helixtrans-74.4-33.5174.1-169.8-178176.2-150.20112.7D402 L403 L404D402-K406 WeakPolarHBondContact O-CB 3.4Å; D402-K406 PolarHBondContact O-N 3.15Å; L403-K406 PolarHBondContact O-N 2.87Å; L404-K406 VanDerWaalsContact C-N 3.31Å; L404-K406 PolarHBondContact O-N 3.46Å
407Y95.5Very high92.5Very high7 Ų730 Ų303%0.02717%0.165CC..  trans-128.376-174.1-59.9-70.5000112.4E345 I348 D349 I352 L403 L404 Q409 I410E345-Y407 HydrophobicContact CB-CE2 4.31Å; E345-Y407 WeakPolarHBondContact CB-OH 3.35Å; E345-Y407 HydrophobicContact CG-CE2 3.99Å; E345-Y407 PolarHBondContact O-OH 3.39Å; I348-Y407 HydrophobicContact CB-CD1 4.5Å; I348-Y407 HydrophobicContact CB-CE1 4.25Å; I348-Y407 HydrophobicContact CB-CE2 4.37Å; I348-Y407 HydrophobicContact CD1-CD2 4.07Å; I348-Y407 HydrophobicContact CD1-CE2 4.12Å; I348-Y407 HydrophobicContact CG2-CD1 3.43Å; I348-Y407 VanDerWaalsContact CG2-CD1 3.43Å; I348-Y407 HydrophobicContact CG2-CD2 4.05Å; I348-Y407 HydrophobicContact CG2-CE1 3.58Å; I348-Y407 HydrophobicContact CG2-CE2 4.18Å; I348-Y407 HydrophobicContact CG2-CG 3.66Å; D349-Y407 WeakPolarHBondContact OD1-CE1 3.48Å; D349-Y407 VanDerWaalsContact OD1-CZ 3.29Å; D349-Y407 PolarHBondContact OD1-OH 2.9Å; D349-Y407 PolarHBondContact OD2-OH 3.31Å; I352-Y407 HydrophobicContact CD1-CD1 3.72Å; I352-Y407 HydrophobicContact CD1-CE1 3.94Å; L403-Y407 HydrophobicContact CD1-CD2 3.77Å; L403-Y407 HydrophobicContact CD1-CE2 3.84Å; L403-Y407 HydrophobicContact CG-CD2 4.32Å; L403-Y407 WeakPolarHBondContact O-CD2 3.17Å; L403-Y407 PolarHBondContact O-N 3.28Å; L404-Y407 CarbonylContact O-C 3.24Å; L404-Y407 VanDerWaalsContact O-C 3.24Å; L404-Y407 PolarHBondContact O-N 2.96Å; Y407-Q409 PolarHBondContact O-N 2.98Å; Y407-I410 HydrophobicContact CD2-CD1 4.43Å; Y407-I410 HydrophobicContact CG-CD1 4.41Å; Y407-I410 WeakPolarHBondContact O-CB 3.24Å; Y407-I410 WeakPolarHBondContact O-CG1 3.25Å; Y407-I410 PolarHBondContact O-N 3.43Å
408P91.4Very high91.9Very high75 Ų7530.8 Ų30.849%0.48717%0.169SC..THydrogen-bonded Turntrans-65.9-5.1-178.828.4-37000114.6I410 R411P408-I410 VanDerWaalsContact C-N 3.3Å; P408-R411 PolarHBondContact O-NE 3.36Å
409Q92Very high90.8Very high67 Ų6728.1 Ų28.131%0.31316%0.155SC..THydrogen-bonded Turntrans-73.6-19.7169.6-55.480.52.900112.5Y365 I366 Y407 R411Y365-Q409 WeakPolarHBondContact CA-O 3.23Å; Y365-Q409 WeakPolarHBondContact CB-O 3.24Å; I366-Q409 HydrophobicContact CD1-CB 4.21Å; I366-Q409 HydrophobicContact CG1-CB 4.34Å; I366-Q409 PolarHBondContact N-O 2.85Å; Y407-Q409 PolarHBondContact O-N 2.98Å; Q409-R411 PolarHBondContact O-N 2.88Å
410I93.3Very high89.9Confident1 Ų129.8 Ų29.81%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-71.3117.3176.1-58.6168.2000108.7I348 I366 L368 L403 L404 Y407 P408 L413 I436I348-I410 HydrophobicContact CD1-CD1 4.22Å; I366-I410 HydrophobicContact CB-CG1 4.29Å; I366-I410 HydrophobicContact CG2-CG1 4.33Å; I366-I410 CarbonylContact O-C 3.47Å; I366-I410 VanDerWaalsContact O-CA 3.28Å; I366-I410 WeakPolarHBondContact O-CA 3.45Å; L368-I410 HydrophobicContact CD1-CD1 3.95Å; L368-I410 HydrophobicContact CD1-CG2 4.36Å; L368-I410 HydrophobicContact CG-CD1 4.44Å; L368-I410 HydrophobicContact CG-CG2 4.17Å; L403-I410 HydrophobicContact CD2-CD1 4.5Å; L403-I410 HydrophobicContact CG-CD1 4.24Å; L404-I410 HydrophobicContact CD2-CB 3.72Å; L404-I410 HydrophobicContact CD2-CD1 4.26Å; L404-I410 HydrophobicContact CD2-CG2 3.54Å; Y407-I410 HydrophobicContact CD2-CD1 4.43Å; Y407-I410 HydrophobicContact CG-CD1 4.41Å; Y407-I410 WeakPolarHBondContact O-CB 3.24Å; Y407-I410 WeakPolarHBondContact O-CG1 3.25Å; Y407-I410 PolarHBondContact O-N 3.43Å; P408-I410 VanDerWaalsContact C-N 3.3Å; I410-L413 HydrophobicContact CG2-CD2 4.17Å; I410-I436 HydrophobicContact CG2-CD1 4.29Å
411R90.9Very high89.4Confident44 Ų4430.7 Ų30.717%0.16617%0.169CC..EExtended strand (participates in β ladder)trans-128.510.9-179.9-62.9-62.8-179.1121.45.8114.4Y365 I366 P408 Q409 S435 F437 I701Y365-R411 HydrophobicContact CD1-CB 4.13Å; Y365-R411 HydrophobicContact CD1-CG 3.29Å; Y365-R411 HydrophobicContact CD2-CG 4.39Å; Y365-R411 HydrophobicContact CE1-CG 3.73Å; Y365-R411 HydrophobicContact CG-CB 3.97Å; Y365-R411 HydrophobicContact CG-CG 3.66Å; I366-R411 PolarHBondContact O-N 2.7Å; P408-R411 PolarHBondContact O-NE 3.36Å; Q409-R411 PolarHBondContact O-N 2.88Å; R411-S435 WeakPolarHBondContact CD-O 3.49Å; R411-S435 PolarHBondContact NH1-O 2.92Å; R411-F437 WeakPolarHBondContact O-CD2 3.48Å; R411-F437 PolarHBondContact O-N 3.45Å; R411-I701 HydrophobicContact CB-CG2 4.44Å; R411-I701 HydrophobicContact CG-CG2 4.26Å
412L90.4Very high88.7Confident1 Ų132.4 Ų32.41%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-146.3131.3170.7173.865.3000111.2I268 L293 I295 G367 L368 I414 F437 T439 I634I268-L412 HydrophobicContact CD1-CD2 4.22Å; L293-L412 HydrophobicContact CD1-CD2 4.14Å; I295-L412 HydrophobicContact CD1-CB 3.42Å; I295-L412 VanDerWaalsContact CD1-CB 3.42Å; I295-L412 HydrophobicContact CD1-CD2 3.76Å; I295-L412 HydrophobicContact CD1-CG 4.24Å; G367-L412 CarbonylContact C-O 3.5Å; G367-L412 WeakPolarHBondContact CA-O 3.22Å; L368-L412 PolarHBondContact N-O 3.11Å; L412-I414 HydrophobicContact CD1-CG1 4.11Å; L412-I414 HydrophobicContact CD2-CD1 4.06Å; L412-I414 HydrophobicContact CD2-CG1 4.05Å; L412-I414 HydrophobicContact CG-CD1 4.49Å; L412-I414 HydrophobicContact CG-CG1 4.01Å; L412-F437 CarbonylContact C-O 3.56Å; L412-F437 WeakPolarHBondContact CA-O 3.33Å; L412-F437 HydrophobicContact CB-CB 4.34Å; L412-F437 HydrophobicContact CD1-CB 3.47Å; L412-F437 VanDerWaalsContact CD1-CB 3.47Å; L412-F437 HydrophobicContact CD1-CG 4.41Å; L412-T439 HydrophobicContact CD1-CG2 3.78Å; L412-I634 HydrophobicContact CD1-CD1 4.36Å
413L90.8Very high88.2Confident0 Ų035 Ų350%018%0.184CC..EExtended strand (participates in β ladder)trans-117.5119163.3-60.6179.4000108.8L368 I370 Y400 L404 I410 P416 L428 I436 F437 T439L368-L413 HydrophobicContact CB-CD2 3.96Å; L368-L413 HydrophobicContact CD1-CD2 3.99Å; L368-L413 HydrophobicContact CG-CD2 4.24Å; I370-L413 HydrophobicContact CD1-CD2 4.39Å; Y400-L413 HydrophobicContact CD1-CD1 4.01Å; Y400-L413 HydrophobicContact CD1-CD2 4.46Å; Y400-L413 HydrophobicContact CE1-CD1 4.34Å; Y400-L413 HydrophobicContact CE1-CD2 4.41Å; L404-L413 HydrophobicContact CD1-CD1 4.34Å; I410-L413 HydrophobicContact CG2-CD2 4.17Å; L413-P416 HydrophobicContact CB-CB 4.46Å; L413-P416 HydrophobicContact CB-CG 4.44Å; L413-P416 HydrophobicContact CD1-CB 4.44Å; L413-L428 HydrophobicContact CD1-CD2 4.15Å; L413-I436 HydrophobicContact CD1-CD1 4.31Å; L413-I436 HydrophobicContact CG-CD1 4Å; L413-F437 PolarHBondContact N-O 3Å; L413-T439 PolarHBondContact O-N 3.33Å
414I89.6Confident87.9Confident0 Ų035.4 Ų35.40%019%0.187CC..EExtended strand (participates in β ladder)trans-99.6126.4169.7-54.6157.4000107.7L293 L368 Y369 I370 L412 T439 L604L293-I414 HydrophobicContact CD1-CD1 3.41Å; L293-I414 VanDerWaalsContact CD1-CD1 3.41Å; L368-I414 PolarHBondContact O-N 3.3Å; Y369-I414 HydrophobicContact CD1-CD1 4.13Å; Y369-I414 HydrophobicContact CD1-CG2 4.49Å; Y369-I414 HydrophobicContact CD2-CB 3.6Å; Y369-I414 HydrophobicContact CD2-CD1 4.44Å; Y369-I414 HydrophobicContact CD2-CG2 3.39Å; Y369-I414 HydrophobicContact CE1-CG2 4.49Å; Y369-I414 HydrophobicContact CE2-CB 4.2Å; Y369-I414 HydrophobicContact CE2-CG2 3.44Å; Y369-I414 VanDerWaalsContact CE2-CG2 3.44Å; Y369-I414 HydrophobicContact CG-CB 3.95Å; Y369-I414 HydrophobicContact CG-CD1 3.93Å; Y369-I414 HydrophobicContact CG-CG2 4Å; I370-I414 PolarHBondContact N-O 3.05Å; L412-I414 HydrophobicContact CD1-CG1 4.11Å; L412-I414 HydrophobicContact CD2-CD1 4.06Å; L412-I414 HydrophobicContact CD2-CG1 4.05Å; L412-I414 HydrophobicContact CG-CD1 4.49Å; L412-I414 HydrophobicContact CG-CG1 4.01Å; I414-T439 HydrophobicContact CB-CG2 3.94Å; I414-T439 HydrophobicContact CG1-CG2 3.48Å; I414-T439 VanDerWaalsContact CG1-CG2 3.48Å; I414-T439 HydrophobicContact CG2-CG2 4.05Å; I414-L604 HydrophobicContact CD1-CD1 3.69Å; I414-L604 HydrophobicContact CG1-CD1 4.08Å; I414-L604 HydrophobicContact CG2-CD1 4.16Å
415D85.2Confident87.4Confident0 Ų035.4 Ų35.40%019%0.186CC..  trans50.656.6179.1-64.8-24.4000114.2Y369 I370 P372 F417 T439 T440 S441 Q445Y369-D415 HydrophobicContact CE2-CB 4.42Å; I370-D415 WeakPolarHBondContact CB-O 3.41Å; P372-D415 WeakPolarHBondContact CD-O 3.02Å; P372-D415 HydrophobicContact CG-CB 4.07Å; P372-D415 WeakPolarHBondContact CG-O 3.31Å; D415-F417 PolarHBondContact O-N 3.29Å; D415-T439 PolarHBondContact N-O 2.87Å; D415-T440 VanDerWaalsContact OD1-CA 3.25Å; D415-T440 WeakPolarHBondContact OD1-CA 3.48Å; D415-S441 PolarHBondContact OD1-N 2.61Å; D415-S441 WeakPolarHBondContact OD2-CB 3.29Å; D415-S441 PolarHBondContact OD2-OG 3.24Å; D415-Q445 VanDerWaalsContact CG-NE2 3.29Å; D415-Q445 PolarHBondContact OD2-NE2 3.21Å
416P88.1Confident86.9Confident0 Ų035.7 Ų35.70%017%0.172CC..  trans-60.6-28.217823.4-35.1000114.4Y400 L413 W425 L428 I438Y400-P416 HydrophobicContact CD2-CB 4.48Å; Y400-P416 HydrophobicContact CE1-CB 4.25Å; Y400-P416 HydrophobicContact CE2-CB 3.75Å; Y400-P416 WeakPolarHBondContact CE2-O 3.49Å; Y400-P416 WeakPolarHBondContact OH-CA 3.46Å; Y400-P416 PolarHBondContact OH-O 3.13Å; L413-P416 HydrophobicContact CB-CB 4.46Å; L413-P416 HydrophobicContact CB-CG 4.44Å; L413-P416 HydrophobicContact CD1-CB 4.44Å; P416-W425 HydrophobicContact CG-CE3 3.91Å; P416-W425 HydrophobicContact CG-CH2 3.87Å; P416-W425 HydrophobicContact CG-CZ3 3.5Å; P416-W425 VanDerWaalsContact CG-CZ3 3.5Å; P416-L428 HydrophobicContact CB-CD2 4.09Å; P416-L428 HydrophobicContact CG-CD2 4.25Å; P416-I438 HydrophobicContact CG-CG2 4.06Å
417F87.2Confident86.5Confident0 Ų032.1 Ų32.10%016%0.162CC..SBendtrans-138.9164.3178-55.1-81.6000111.2P372 Y383 L396 V397 Y400 D415 D421 C424 W425 L428P372-F417 VanDerWaalsContact CB-C 3.42Å; P372-F417 WeakPolarHBondContact CG-O 3.32Å; Y383-F417 HydrophobicContact CE2-CD1 4.35Å; L396-F417 HydrophobicContact CB-CE1 4.07Å; L396-F417 HydrophobicContact CD2-CD1 3.7Å; L396-F417 HydrophobicContact CD2-CE1 3.61Å; L396-F417 HydrophobicContact CG-CD1 4.25Å; L396-F417 HydrophobicContact CG-CE1 3.62Å; L396-F417 HydrophobicContact CG-CZ 4.43Å; V397-F417 HydrophobicContact CB-CZ 4.3Å; V397-F417 HydrophobicContact CG2-CE1 3.99Å; V397-F417 HydrophobicContact CG2-CE2 4.28Å; V397-F417 HydrophobicContact CG2-CZ 3.45Å; V397-F417 VanDerWaalsContact CG2-CZ 3.45Å; Y400-F417 HydrophobicContact CD2-CE1 4.21Å; Y400-F417 HydrophobicContact CD2-CE2 4.27Å; Y400-F417 AromaticContact CD2-CZ 3.69Å; Y400-F417 HydrophobicContact CD2-CZ 3.69Å; Y400-F417 HydrophobicContact CE2-CD1 4.49Å; Y400-F417 AromaticContact CE2-CE1 3.93Å; Y400-F417 HydrophobicContact CE2-CE1 3.93Å; Y400-F417 HydrophobicContact CE2-CE2 4.2Å; Y400-F417 AromaticContact CE2-CZ 3.74Å; Y400-F417 HydrophobicContact CE2-CZ 3.74Å; D415-F417 PolarHBondContact O-N 3.29Å; F417-D421 HydrophobicContact CB-CB 4.46Å; F417-C424 HydrophobicContact CD1-CB 3.89Å; F417-C424 HydrophobicContact CD2-CB 4.1Å; F417-C424 HydrophobicContact CE1-CB 3.77Å; F417-C424 HydrophobicContact CE2-CB 4Å; F417-C424 WeakPolarHBondContact CE2-O 3.39Å; F417-C424 HydrophobicContact CG-CB 4.06Å; F417-C424 HydrophobicContact CZ-CB 3.86Å; F417-W425 HydrophobicContact CB-CZ2 4.37Å; F417-W425 HydrophobicContact CD2-CD2 4.25Å; F417-W425 HydrophobicContact CD2-CG 4.27Å; F417-W425 WeakPolarHBondContact O-CZ2 3.48Å; F417-L428 HydrophobicContact CE2-CB 3.93Å; F417-L428 HydrophobicContact CE2-CD2 3.65Å; F417-L428 HydrophobicContact CE2-CG 4.38Å; F417-L428 HydrophobicContact CZ-CB 4.45Å; F417-L428 HydrophobicContact CZ-CD2 4.32Å
418R83.3Confident86.1Confident18 Ų1831.8 Ų31.87%0.06816%0.161CC..  trans-65.2169.6153.2-37.9171.8-60.5149.98107.4P372 K373 F376 Y383 E420 D421 W425P372-R418 HydrophobicContact CB-CG 4.07Å; K373-R418 HydrophobicContact CG-CB 4.39Å; K373-R418 HydrophobicContact CG-CG 3.72Å; F376-R418 VanDerWaalsContact CE1-NH1 3.25Å; F376-R418 VanDerWaalsContact CZ-CZ 3.4Å; F376-R418 VanDerWaalsContact CZ-NH2 3.25Å; Y383-R418 HydrophobicContact CE1-CG 4.24Å; Y383-R418 WeakPolarHBondContact OH-CG 3.25Å; Y383-R418 PolarHBondContact OH-N 2.82Å; R418-E420 WeakPolarHBondContact CB-OE2 3.45Å; R418-D421 IonicContact CZ-OD1 3.72Å; R418-D421 IonicContact CZ-OD2 2.8Å; R418-D421 IonicContact NE-OD2 2.88Å; R418-D421 PolarHBondContact NE-OD2 3.34Å; R418-D421 VanDerWaalsContact NH2-CG 3.26Å; R418-D421 IonicContact NH2-OD1 3.8Å; R418-D421 PolarHBondContact NH2-OD1 2.98Å; R418-D421 IonicContact NH2-OD2 3.39Å; R418-D421 PolarHBondContact NH2-OD2 2.98Å; R418-W425 PolarHBondContact O-NE1 3.34Å
419A72.8Confident85.6Confident8 Ų833.3 Ų33.37%0.06616%0.16CC..SBendtrans-124.15.7-177.700000115.1D421 K422 W425 I482A419-D421 PolarHBondContact O-N 3.37Å; A419-K422 PolarHBondContact O-N 3.47Å; A419-W425 HydrophobicContact CB-CZ2 4.46Å; A419-I482 HydrophobicContact CB-CB 3.95Å; A419-I482 HydrophobicContact CB-CG1 3.97Å; A419-I482 HydrophobicContact CB-CG2 4.07Å
420E77.2Confident85.2Confident64 Ų6434.7 Ų34.730%0.29918%0.177SC..THydrogen-bonded Turntrans-44.3-36.6135.1-56.787.3157.200110.4K373 R418 K422K373-E420 WeakPolarHBondContact CE-OE1 3.5Å; K373-E420 IonicContact NZ-OE1 2.72Å; K373-E420 PolarHBondContact NZ-OE1 2.68Å; R418-E420 WeakPolarHBondContact CB-OE2 3.45Å; E420-K422 VanDerWaalsContact C-N 3.32Å; E420-K422 PolarHBondContact O-N 2.91Å
421D83.9Confident85Confident20 Ų2039.4 Ų39.411%0.10719%0.194CC..THydrogen-bonded Turntrans-8837.8177.6-52.9-56.4000114.1Y383 F417 R418 A419 Q423 C424Y383-D421 PolarHBondContact OH-OD2 3.18Å; F417-D421 HydrophobicContact CB-CB 4.46Å; R418-D421 IonicContact CZ-OD1 3.72Å; R418-D421 IonicContact CZ-OD2 2.8Å; R418-D421 IonicContact NE-OD2 2.88Å; R418-D421 PolarHBondContact NE-OD2 3.34Å; R418-D421 VanDerWaalsContact NH2-CG 3.26Å; R418-D421 IonicContact NH2-OD1 3.8Å; R418-D421 PolarHBondContact NH2-OD1 2.98Å; R418-D421 IonicContact NH2-OD2 3.39Å; R418-D421 PolarHBondContact NH2-OD2 2.98Å; A419-D421 PolarHBondContact O-N 3.37Å; D421-Q423 VanDerWaalsContact C-N 3.27Å; D421-Q423 PolarHBondContact O-N 2.95Å; D421-Q423 VanDerWaalsContact O-N 3.08Å; D421-C424 HydrophobicContact CB-CB 4.39Å; D421-C424 WeakPolarHBondContact O-CB 3.38Å; D421-C424 PolarHBondContact O-N 2.85Å
422K78.1Confident84.6Confident71 Ų7138.8 Ų38.831%0.30919%0.194SC..Hα-helixtrans-43.1-46-177.6171.9167.3171.5152.80114.3A419 E420 C424 W425 D426 L598A419-K422 PolarHBondContact O-N 3.47Å; E420-K422 VanDerWaalsContact C-N 3.32Å; E420-K422 PolarHBondContact O-N 2.91Å; K422-C424 PolarHBondContact O-N 3.22Å; K422-C424 VanDerWaalsContact O-N 3.12Å; K422-W425 WeakPolarHBondContact O-CB 3.46Å; K422-W425 PolarHBondContact O-N 2.6Å; K422-D426 PolarHBondContact O-N 3.18Å; K422-L598 HydrophobicContact CD-CD1 3.79Å; K422-L598 VanDerWaalsContact CE-CD1 3.41Å; K422-L598 HydrophobicContact CG-CD1 4.25Å
423Q85.1Confident83.9Confident166 Ų16645.5 Ų45.578%0.77624%0.236SC*.Hα-helixtrans-58-28.2-179.7-65.7177.5-10.300113.3D421 S427D421-Q423 VanDerWaalsContact C-N 3.27Å; D421-Q423 PolarHBondContact O-N 2.95Å; D421-Q423 VanDerWaalsContact O-N 3.08Å; Q423-S427 WeakPolarHBondContact O-CB 3.4Å; Q423-S427 PolarHBondContact O-N 3.09Å
424C87.9Confident83Confident11 Ų1147.5 Ų47.57%0.07425%0.249CC..Hα-helixtrans-77.4-29177.7-66.80000112.7P393 V397 F417 D421 K422 L428P393-C424 WeakPolarHBondContact CB-SG 3.48Å; V397-C424 HydrophobicContact CG2-CB 3.72Å; F417-C424 HydrophobicContact CD1-CB 3.89Å; F417-C424 HydrophobicContact CD2-CB 4.1Å; F417-C424 HydrophobicContact CE1-CB 3.77Å; F417-C424 HydrophobicContact CE2-CB 4Å; F417-C424 WeakPolarHBondContact CE2-O 3.39Å; F417-C424 HydrophobicContact CG-CB 4.06Å; F417-C424 HydrophobicContact CZ-CB 3.86Å; D421-C424 HydrophobicContact CB-CB 4.39Å; D421-C424 WeakPolarHBondContact O-CB 3.38Å; D421-C424 PolarHBondContact O-N 2.85Å; K422-C424 PolarHBondContact O-N 3.22Å; K422-C424 VanDerWaalsContact O-N 3.12Å; C424-L428 WeakPolarHBondContact O-CB 3.31Å; C424-L428 PolarHBondContact O-N 3.48Å
425W83.3Confident82.3Confident10 Ų1049.3 Ų49.34%0.03826%0.262CS..Hα-helixtrans-65-48.1170-6584.7000110.9P416 F417 R418 A419 K422 L428 K429 I438 T440 Y600P416-W425 HydrophobicContact CG-CE3 3.91Å; P416-W425 HydrophobicContact CG-CH2 3.87Å; P416-W425 HydrophobicContact CG-CZ3 3.5Å; P416-W425 VanDerWaalsContact CG-CZ3 3.5Å; F417-W425 HydrophobicContact CB-CZ2 4.37Å; F417-W425 HydrophobicContact CD2-CD2 4.25Å; F417-W425 HydrophobicContact CD2-CG 4.27Å; F417-W425 WeakPolarHBondContact O-CZ2 3.48Å; R418-W425 PolarHBondContact O-NE1 3.34Å; A419-W425 HydrophobicContact CB-CZ2 4.46Å; K422-W425 WeakPolarHBondContact O-CB 3.46Å; K422-W425 PolarHBondContact O-N 2.6Å; W425-L428 PolarHBondContact O-N 3.37Å; W425-K429 VanDerWaalsContact O-CB 3.32Å; W425-K429 WeakPolarHBondContact O-CB 3.23Å; W425-K429 PolarHBondContact O-N 2.74Å; W425-I438 HydrophobicContact CE3-CG2 3.8Å; W425-I438 HydrophobicContact CZ3-CG2 3.58Å; W425-T440 HydrophobicContact CH2-CG2 3.52Å; W425-T440 HydrophobicContact CZ2-CG2 4.07Å; W425-T440 HydrophobicContact CZ3-CG2 4.15Å; W425-Y600 HydrophobicContact CD2-CE1 4.22Å; W425-Y600 HydrophobicContact CE3-CD1 4.37Å; W425-Y600 AromaticContact CE3-CE1 3.58Å; W425-Y600 HydrophobicContact CE3-CE1 3.58Å; W425-Y600 HydrophobicContact CH2-CE1 4.2Å; W425-Y600 HydrophobicContact CZ3-CD1 4.21Å; W425-Y600 AromaticContact CZ3-CE1 3.56Å; W425-Y600 HydrophobicContact CZ3-CE1 3.56Å
426D82.6Confident82.2Confident69 Ų6950 Ų5037%0.36927%0.266SS..Hα-helixtrans-64.3-40.7178.3-61.8-36.8000111.5K422 S430K422-D426 PolarHBondContact O-N 3.18Å; D426-S430 WeakPolarHBondContact O-CB 3.1Å; D426-S430 PolarHBondContact O-N 3.34Å; D426-S430 PolarHBondContact O-OG 2.85Å
427S87.8Confident81.7Confident42 Ų4250.3 Ų50.329%0.29427%0.267SS..Hα-helixtrans-66-41175.5-172.80000112.6Q423 S430 R431Q423-S427 WeakPolarHBondContact O-CB 3.4Å; Q423-S427 PolarHBondContact O-N 3.09Å; S427-S430 PolarHBondContact O-OG 2.95Å; S427-R431 WeakPolarHBondContact O-CB 3.48Å; S427-R431 WeakPolarHBondContact O-CD 3.38Å; S427-R431 WeakPolarHBondContact O-CG 3.39Å; S427-R431 PolarHBondContact O-N 2.98Å
428L88Confident81.4Confident0 Ų051.3 Ų51.30%027%0.272CS..Hα-helixtrans-64.9-48.7174.7-179.861.1000110.8V397 Y400 I401 L413 P416 F417 C424 W425 S430 R431 I432 I438V397-L428 HydrophobicContact CG1-CB 4.23Å; V397-L428 HydrophobicContact CG1-CD1 4.43Å; Y400-L428 HydrophobicContact CD2-CD2 4.24Å; Y400-L428 HydrophobicContact CG-CD1 4.4Å; Y400-L428 HydrophobicContact CG-CD2 4.43Å; I401-L428 HydrophobicContact CD1-CD1 3.94Å; I401-L428 HydrophobicContact CG1-CD1 4.37Å; L413-L428 HydrophobicContact CD1-CD2 4.15Å; P416-L428 HydrophobicContact CB-CD2 4.09Å; P416-L428 HydrophobicContact CG-CD2 4.25Å; F417-L428 HydrophobicContact CE2-CB 3.93Å; F417-L428 HydrophobicContact CE2-CD2 3.65Å; F417-L428 HydrophobicContact CE2-CG 4.38Å; F417-L428 HydrophobicContact CZ-CB 4.45Å; F417-L428 HydrophobicContact CZ-CD2 4.32Å; C424-L428 WeakPolarHBondContact O-CB 3.31Å; C424-L428 PolarHBondContact O-N 3.48Å; W425-L428 PolarHBondContact O-N 3.37Å; L428-S430 PolarHBondContact O-N 2.75Å; L428-R431 PolarHBondContact O-N 2.66Å; L428-I432 HydrophobicContact CD1-CD1 3.66Å; L428-I432 HydrophobicContact CD1-CG1 4.05Å; L428-I432 HydrophobicContact CD2-CD1 4.36Å; L428-I432 HydrophobicContact CG-CD1 3.62Å; L428-I432 HydrophobicContact CG-CG1 4.41Å; L428-I432 WeakPolarHBondContact O-CG1 3.36Å; L428-I432 PolarHBondContact O-N 3.48Å; L428-I438 HydrophobicContact CD2-CD1 4.22Å; L428-I438 HydrophobicContact CG-CD1 4.34Å
429K79.4Confident81.2Confident108 Ų10850.4 Ų50.447%0.4727%0.269SS..Hα-helixtrans-59-45.9179.7-179.5174.6-179.4171.30112.7W425 R431 C599W425-K429 VanDerWaalsContact O-CB 3.32Å; W425-K429 WeakPolarHBondContact O-CB 3.23Å; W425-K429 PolarHBondContact O-N 2.74Å; K429-R431 PolarHBondContact O-N 2.89Å; K429-C599 PolarHBondContact NZ-O 2.91Å
430S85.1Confident81.2Confident95 Ų9550.1 Ų50.166%0.66427%0.266SS*.Hα-helixtrans-70.1-15.2-179.154.80000114.5D426 S427 L428D426-S430 WeakPolarHBondContact O-CB 3.1Å; D426-S430 PolarHBondContact O-N 3.34Å; D426-S430 PolarHBondContact O-OG 2.85Å; S427-S430 PolarHBondContact O-OG 2.95Å; L428-S430 PolarHBondContact O-N 2.75Å
431R88.1Confident80.8Confident100 Ų10047 Ų4738%0.37725%0.252SS..Hα-helixtrans-107.6-16.9-176.8-69177.660.2-173.1-2.4114.4N398 I401 S427 L428 K429 T433N398-R431 VanDerWaalsContact OD1-CZ 3.23Å; N398-R431 PolarHBondContact OD1-NH1 3.44Å; N398-R431 PolarHBondContact OD1-NH2 3.45Å; I401-R431 HydrophobicContact CD1-CB 3.75Å; I401-R431 HydrophobicContact CG1-CB 4.16Å; S427-R431 WeakPolarHBondContact O-CB 3.48Å; S427-R431 WeakPolarHBondContact O-CD 3.38Å; S427-R431 WeakPolarHBondContact O-CG 3.39Å; S427-R431 PolarHBondContact O-N 2.98Å; L428-R431 PolarHBondContact O-N 2.66Å; K429-R431 PolarHBondContact O-N 2.89Å; R431-T433 PolarHBondContact O-N 3.08Å
432I82.9Confident79.6Confident31 Ų3147.3 Ų47.316%0.15925%0.254CS..  trans-71122.7170.7-79.4168.9000108.8I401 L404 L428 S434 I436 I438I401-I432 HydrophobicContact CD1-CG1 3.72Å; L404-I432 HydrophobicContact CD1-CD1 3.84Å; L404-I432 HydrophobicContact CD1-CG1 3.92Å; L428-I432 HydrophobicContact CD1-CD1 3.66Å; L428-I432 HydrophobicContact CD1-CG1 4.05Å; L428-I432 HydrophobicContact CD2-CD1 4.36Å; L428-I432 HydrophobicContact CG-CD1 3.62Å; L428-I432 HydrophobicContact CG-CG1 4.41Å; L428-I432 WeakPolarHBondContact O-CG1 3.36Å; L428-I432 PolarHBondContact O-N 3.48Å; I432-S434 WeakPolarHBondContact CG2-O 3.45Å; I432-I436 HydrophobicContact CD1-CG2 3.95Å; I432-I436 HydrophobicContact CG2-CG2 3.41Å; I432-I436 VanDerWaalsContact CG2-CG2 3.41Å; I432-I438 HydrophobicContact CD1-CD1 3.69Å
433T74.6Confident78.4Confident143 Ų14344 Ų4488%0.87724%0.24SC*.  trans-103.1-15.6176.354.30000113.1R431R431-T433 PolarHBondContact O-N 3.08Å
434S71.9Confident76.5Confident41 Ų4136.9 Ų36.929%0.28721%0.207SC..SBendtrans-100.3130.3177.858.50000110.5I432 I436I432-S434 WeakPolarHBondContact CG2-O 3.45Å; S434-I436 VanDerWaalsContact O-CG2 3.3Å; S434-I436 WeakPolarHBondContact O-CG2 3.35Å; S434-I436 PolarHBondContact O-N 3.07Å
435S76.3Confident74.2Confident39 Ų3936.6 Ų36.627%0.27320%0.204SC..  trans-61.5125.5-179-36.30000112.1R411 I701 D702R411-S435 WeakPolarHBondContact CD-O 3.49Å; R411-S435 PolarHBondContact NH1-O 2.92Å; S435-I701 CarbonylContact C-O 3.55Å; S435-I701 WeakPolarHBondContact CB-O 3.39Å; S435-D702 VanDerWaalsContact CB-O 3.22Å; S435-D702 WeakPolarHBondContact CB-O 3.26Å; S435-D702 VanDerWaalsContact OG-C 3.29Å; S435-D702 PolarHBondContact OG-O 3.27Å
436I81.9Confident71.7Confident14 Ų1437.3 Ų37.37%0.07221%0.21CC..  trans-156.8136.7-166.5178.4165.7000109.8L404 I410 L413 I432 S434 I438L404-I436 HydrophobicContact CD1-CD1 3.82Å; L404-I436 HydrophobicContact CD2-CD1 3.45Å; L404-I436 VanDerWaalsContact CD2-CD1 3.45Å; L404-I436 HydrophobicContact CG-CD1 4.29Å; I410-I436 HydrophobicContact CG2-CD1 4.29Å; L413-I436 HydrophobicContact CD1-CD1 4.31Å; L413-I436 HydrophobicContact CG-CD1 4Å; I432-I436 HydrophobicContact CD1-CG2 3.95Å; I432-I436 HydrophobicContact CG2-CG2 3.41Å; I432-I436 VanDerWaalsContact CG2-CG2 3.41Å; S434-I436 VanDerWaalsContact O-CG2 3.3Å; S434-I436 WeakPolarHBondContact O-CG2 3.35Å; S434-I436 PolarHBondContact O-N 3.07Å; I436-I438 PolarHBondContact O-N 3.16Å
437F78.8Confident69.2Low6 Ų636.6 Ų36.63%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-71128.4171.6-62.3-57.7000111.1R411 L412 L413 S601 Q632 F658 I700 I701R411-F437 WeakPolarHBondContact O-CD2 3.48Å; R411-F437 PolarHBondContact O-N 3.45Å; L412-F437 CarbonylContact C-O 3.56Å; L412-F437 WeakPolarHBondContact CA-O 3.33Å; L412-F437 HydrophobicContact CB-CB 4.34Å; L412-F437 HydrophobicContact CD1-CB 3.47Å; L412-F437 VanDerWaalsContact CD1-CB 3.47Å; L412-F437 HydrophobicContact CD1-CG 4.41Å; L413-F437 PolarHBondContact N-O 3Å; F437-S601 WeakPolarHBondContact CA-OG 3.48Å; F437-Q632 HydrophobicContact CE1-CG 4.08Å; F437-F658 HydrophobicContact CE2-CE2 4.42Å; F437-F658 HydrophobicContact CE2-CZ 4.21Å; F437-F658 HydrophobicContact CZ-CE2 4.3Å; F437-F658 HydrophobicContact CZ-CZ 4.31Å; F437-I700 HydrophobicContact CE1-CG2 4.07Å; F437-I700 WeakPolarHBondContact CE1-O 3.32Å; F437-I700 HydrophobicContact CZ-CG2 3.83Å; F437-I700 WeakPolarHBondContact CZ-O 3.36Å; F437-I701 HydrophobicContact CD2-CG1 4.45Å; F437-I701 HydrophobicContact CE2-CD1 4.19Å; F437-I701 HydrophobicContact CE2-CG1 3.48Å; F437-I701 VanDerWaalsContact CE2-CG1 3.48Å; F437-I701 HydrophobicContact CZ-CG1 3.64Å
438I80.5Confident66.1Low21 Ų2142.2 Ų42.211%0.10824%0.238CC..EExtended strand (participates in β ladder)trans-117.5115.9164.8-62.5174.4000106.6P416 W425 L428 I432 I436 Y600 S601P416-I438 HydrophobicContact CG-CG2 4.06Å; W425-I438 HydrophobicContact CE3-CG2 3.8Å; W425-I438 HydrophobicContact CZ3-CG2 3.58Å; L428-I438 HydrophobicContact CD2-CD1 4.22Å; L428-I438 HydrophobicContact CG-CD1 4.34Å; I432-I438 HydrophobicContact CD1-CD1 3.69Å; I436-I438 PolarHBondContact O-N 3.16Å; I438-Y600 WeakPolarHBondContact O-CB 3.24Å; I438-S601 PolarHBondContact N-OG 3.37Å; I438-S601 VanDerWaalsContact N-OG 3.09Å; I438-S601 PolarHBondContact O-OG 3.16Å
439T77.9Confident63.1Low0 Ų049 Ų490%027%0.267CS..EExtended strand (participates in β ladder)trans-126.2153.3-178.1-168.90000111.2L412 L413 I414 D415 S602 L604 I634L412-T439 HydrophobicContact CD1-CG2 3.78Å; L413-T439 PolarHBondContact O-N 3.33Å; I414-T439 HydrophobicContact CB-CG2 3.94Å; I414-T439 HydrophobicContact CG1-CG2 3.48Å; I414-T439 VanDerWaalsContact CG1-CG2 3.48Å; I414-T439 HydrophobicContact CG2-CG2 4.05Å; D415-T439 PolarHBondContact N-O 2.87Å; T439-S602 WeakPolarHBondContact CB-OG 3.41Å; T439-S602 PolarHBondContact OG1-O 3.25Å; T439-S602 VanDerWaalsContact OG1-O 3.06Å; T439-L604 HydrophobicContact CG2-CB 4.34Å; T439-L604 PolarHBondContact OG1-N 3.42Å; T439-I634 HydrophobicContact CG2-CD1 4.36Å
440T74.8Confident60.4Low1 Ų150.7 Ų50.71%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-99.8144.8163.451.10000110.4D415 W425 P483 Y600 L604D415-T440 VanDerWaalsContact OD1-CA 3.25Å; D415-T440 WeakPolarHBondContact OD1-CA 3.48Å; W425-T440 HydrophobicContact CH2-CG2 3.52Å; W425-T440 HydrophobicContact CZ2-CG2 4.07Å; W425-T440 HydrophobicContact CZ3-CG2 4.15Å; T440-P483 HydrophobicContact CG2-CB 3.86Å; T440-Y600 HydrophobicContact CG2-CD1 4.45Å; T440-Y600 HydrophobicContact CG2-CD2 4.25Å; T440-Y600 HydrophobicContact CG2-CE1 3.82Å; T440-Y600 HydrophobicContact CG2-CE2 3.56Å; T440-Y600 WeakPolarHBondContact CG2-OH 3.42Å; T440-L604 PolarHBondContact O-N 3.48Å; T440-L604 VanDerWaalsContact O-N 3.1Å
441S68.6Low57.5Low0 Ų053.4 Ų53.40%028%0.282CS..EExtended strand (participates in β ladder)trans-82.2155.5161.876.20000111.9Y369 D415 I443 T484 L604Y369-S441 PolarHBondContact OH-OG 2.61Å; D415-S441 PolarHBondContact OD1-N 2.61Å; D415-S441 WeakPolarHBondContact OD2-CB 3.29Å; D415-S441 PolarHBondContact OD2-OG 3.24Å; S441-I443 PolarHBondContact OG-N 3.31Å; S441-T484 PolarHBondContact O-N 3.47Å; S441-L604 CarbonylContact C-O 3.42Å; S441-L604 WeakPolarHBondContact CA-O 3.42Å
442T58.9Low54.5Low25 Ų2555 Ų5515%0.15330%0.297CS..SBendtrans-78.3-5.7163.158.30000113I444 W603 L604 F605 T606T442-I444 PolarHBondContact O-N 3.24Å; T442-W603 HydrophobicContact CG2-CZ2 3.69Å; T442-L604 PolarHBondContact N-O 3.28Å; T442-F605 HydrophobicContact CG2-CB 3.88Å; T442-F605 WeakPolarHBondContact OG1-CA 3.21Å; T442-T606 PolarHBondContact OG1-N 3.45Å
443I52Low51.8Low3 Ų358 Ų582%0.01532%0.318CS..SBendtrans-68.5125.8-175.3-73.2161.2000109.1Y95 Y369 S441 Q445 T606Y95-I443 HydrophobicContact CD2-CG2 3.25Å; Y95-I443 HydrophobicContact CE2-CD1 4.26Å; Y95-I443 HydrophobicContact CE2-CG2 3.78Å; Y95-I443 HydrophobicContact CG-CG2 3.81Å; Y369-I443 WeakPolarHBondContact OH-CD1 3.37Å; S441-I443 PolarHBondContact OG-N 3.31Å; I443-Q445 PolarHBondContact O-N 3.08Å; I443-T606 HydrophobicContact CD1-CG2 3.76Å; I443-T606 HydrophobicContact CG1-CG2 3.94Å
444I44.9Very low49.4Very low16 Ų1659.2 Ų59.28%0.08232%0.32CS..  trans-59.8114.9169.4-64.4-173.5000108.1Y95 I197 T442 C610 L611Y95-I444 VanDerWaalsContact CB-O 3.26Å; Y95-I444 WeakPolarHBondContact CB-O 3.47Å; I197-I444 HydrophobicContact CD1-CG2 4.39Å; I197-I444 HydrophobicContact CG2-CD1 4.06Å; T442-I444 PolarHBondContact O-N 3.24Å; I444-C610 HydrophobicContact CB-CB 4.29Å; I444-C610 HydrophobicContact CD1-CB 3.37Å; I444-C610 HydrophobicContact CG1-CB 3.55Å; I444-L611 HydrophobicContact CD1-CD2 3.43Å; I444-L611 VanDerWaalsContact CD1-CD2 3.43Å; I444-L611 HydrophobicContact CD1-CG 3.71Å; I444-L611 HydrophobicContact CG1-CD1 4.14Å; I444-L611 HydrophobicContact CG1-CD2 3.84Å; I444-L611 HydrophobicContact CG1-CG 3.77Å
445Q39.9Very low47.3Very low4 Ų467.5 Ų67.52%0.01934%0.344CS..PPolyproline II helixtrans-76126164.2-42.8-176.84.100107.5L371 P372 K373 D415 I443 A447L371-Q445 HydrophobicContact CD1-CB 3.98Å; L371-Q445 HydrophobicContact CD1-CG 3.74Å; P372-Q445 VanDerWaalsContact CD-OE1 3.24Å; K373-Q445 HydrophobicContact CB-CB 3.78Å; K373-Q445 HydrophobicContact CD-CB 3.92Å; K373-Q445 HydrophobicContact CG-CB 3.89Å; D415-Q445 VanDerWaalsContact CG-NE2 3.29Å; D415-Q445 PolarHBondContact OD2-NE2 3.21Å; I443-Q445 PolarHBondContact O-N 3.08Å; Q445-A447 PolarHBondContact O-N 3.13Å
446P31.7Very low45Very low26 Ų2671.5 Ų71.517%0.16937%0.372CS..PPolyproline II helixtrans-59128.7-175.613.9-25.5000110.9Y95 K373Y95-P446 WeakPolarHBondContact O-CB 3.47Å; Y95-P446 WeakPolarHBondContact O-CD 3.38Å; Y95-P446 WeakPolarHBondContact O-CG 3.48Å; K373-P446 WeakPolarHBondContact CB-O 3.42Å
447A29.7Very low42.5Very low54 Ų5477.6 Ų77.645%0.44641%0.405SS..PPolyproline II helixtrans-67.7130.2148.400000106.9Q445 K449Q445-A447 PolarHBondContact O-N 3.13Å; A447-K449 PolarHBondContact O-N 3.35Å; A447-K449 VanDerWaalsContact O-N 3.14Å
448M23.2Very low40.2Very low160 Ų16083 Ų8379%0.78844%0.444SS*.PPolyproline II helixtrans-57.2122.8159.7-84.5-171.6168.900107E450M448-E450 PolarHBondContact O-N 3.49Å
449K24.2Very low37.8Very low141 Ų14188 Ų8861%0.61348%0.475SS*.  trans-55.5112.6151-92.2-176.7172.1-179.60104.6D101 A447 I451D101-K449 IonicContact OD2-NZ 3.55Å; D101-K449 PolarHBondContact OD2-NZ 3.18Å; A447-K449 PolarHBondContact O-N 3.35Å; A447-K449 VanDerWaalsContact O-N 3.14Å; K449-I451 VanDerWaalsContact C-N 3.33Å; K449-I451 PolarHBondContact O-N 2.59Å
450E23.4Very low35.3Very low145 Ų14593.8 Ų93.868%0.67851%0.511SS*.  trans-55.9109.7158.6-128-17817300104.6M448 I452M448-E450 PolarHBondContact O-N 3.49Å; E450-I452 PolarHBondContact O-N 3.24Å
451I23.7Very low33.1Very low152 Ų152101.1 Ų101.178%0.77955%0.547SS*.  trans-66.988.8162.8-60.8174.4000102.9K449 P453K449-I451 VanDerWaalsContact C-N 3.33Å; K449-I451 PolarHBondContact O-N 2.59Å; I451-P453 WeakPolarHBondContact O-CD 3.34Å
452I24.3Very low31.2Very low132 Ų132110.2 Ų110.268%0.67759%0.586SS**  trans-52.2107177.9-62.1175.1000105E450 N454E450-I452 PolarHBondContact O-N 3.24Å; I452-N454 PolarHBondContact O-N 3.18Å; I452-N454 VanDerWaalsContact O-N 3.15Å
453P25.7Very low29.6Very low94 Ų94115.8 Ų115.861%0.6162%0.615SS**  trans-66.8125.3178.7-13.128.9000104.4I451 R455I451-P453 WeakPolarHBondContact O-CD 3.34Å; P453-R455 PolarHBondContact O-N 3.17Å
454N24.2Very low28.4Very low170 Ų170120.2 Ų120.291%0.90965%0.646SS**  trans-56.989176.9-96.1-24.5000109.8I452I452-N454 PolarHBondContact O-N 3.18Å; I452-N454 VanDerWaalsContact O-N 3.15Å
455R28.5Very low27.5Very low214 Ų214124.9 Ų124.981%0.80868%0.675SS**  trans-132.186.1175.6-92.1-169.1167.4-179.4-2.1106.9P453 N457P453-R455 PolarHBondContact O-N 3.17Å; R455-N457 VanDerWaalsContact C-N 3.33Å; R455-N457 PolarHBondContact O-N 2.99Å
456S28.9Very low26.8Very low123 Ų123129.7 Ų129.786%0.8671%0.705SS**  trans-3796.5154.717.40000110.9
457N29.6Very low26.4Very low142 Ų142135.3 Ų135.376%0.75973%0.733SS**  trans-140.399.4161.3-95.8-23.4000105.9R455 V459R455-N457 VanDerWaalsContact C-N 3.33Å; R455-N457 PolarHBondContact O-N 2.99Å; N457-V459 VanDerWaalsContact C-N 3.31Å; N457-V459 PolarHBondContact O-N 3.48Å
458S29.9Very low26.2Very low121 Ų121139 Ų13985%0.84675%0.745SS**  trans-68.782.6-177.539.20000111.4T460S458-T460 PolarHBondContact O-N 2.91Å
459V29.9Very low26.4Very low125 Ų125135.6 Ų135.676%0.75874%0.737SS**  trans-75.1105.2155.8-179.80000106.5N457 M461N457-V459 VanDerWaalsContact C-N 3.31Å; N457-V459 PolarHBondContact O-N 3.48Å; V459-M461 PolarHBondContact O-N 3.34Å
460T26.4Very low26.4Very low122 Ų122134.1 Ų134.175%0.74874%0.739SS**  trans-55.6105.8178.8-41.20000109.5S458 K462S458-T460 PolarHBondContact O-N 2.91Å; T460-K462 VanDerWaalsContact C-N 3.33Å; T460-K462 PolarHBondContact O-N 3.31Å
461M27.5Very low26.7Very low154 Ų154134.8 Ų134.876%0.75975%0.747SS**  trans-62.696.9171.2-80.7-69.1179.900108.1V459 N463V459-M461 PolarHBondContact O-N 3.34Å; M461-N463 PolarHBondContact O-N 2.84Å
462K28.1Very low26.9Very low191 Ų191132 Ų13283%0.8374%0.741SS**  trans-62.2104.6166.5-83.9-175.4172.3-177.60106.9T460 S464T460-K462 VanDerWaalsContact C-N 3.33Å; T460-K462 PolarHBondContact O-N 3.31Å; K462-S464 PolarHBondContact O-N 2.96Å; K462-S464 VanDerWaalsContact O-N 3.1Å
463N26.3Very low26.9Very low143 Ų143131.7 Ų131.777%0.76575%0.745SS**  trans1683.7167-634.4000112.7M461 T465M461-N463 PolarHBondContact O-N 2.84Å; N463-T465 PolarHBondContact O-N 3.08Å; N463-T465 PolarHBondContact O-OG1 2.95Å
464S27.5Very low26.8Very low95 Ų95134.7 Ų134.766%0.66475%0.749SS**  trans-62.581.9158.8-60.10000106.2K462 T466K462-S464 PolarHBondContact O-N 2.96Å; K462-S464 VanDerWaalsContact O-N 3.1Å; S464-T466 PolarHBondContact O-N 3.04Å
465T25.5Very low26.9Very low114 Ų114134.2 Ų134.270%0.69975%0.747SS**  trans-56.2111.7179.3-53.30000105.8N463 I467N463-T465 PolarHBondContact O-N 3.08Å; N463-T465 PolarHBondContact O-OG1 2.95Å; T465-I467 WeakPolarHBondContact O-CG1 3.38Å; T465-I467 PolarHBondContact O-N 3.1Å
466T24.1Very low26.8Very low105 Ų105130.6 Ų130.664%0.64474%0.739SS**  trans-52.7108.5-177-45.40000107.6S464 N468S464-T466 PolarHBondContact O-N 3.04Å; T466-N468 WeakPolarHBondContact CG2-OD1 3.41Å; T466-N468 PolarHBondContact O-N 3.12Å
467I24.7Very low26.6Very low145 Ų145129 Ų12974%0.74473%0.725SS**  trans-75.775177-56.5-175.5000106.2T465 S469T465-I467 WeakPolarHBondContact O-CG1 3.38Å; T465-I467 PolarHBondContact O-N 3.1Å; I467-S469 WeakPolarHBondContact CG2-OG 3.43Å; I467-S469 PolarHBondContact O-N 3.35Å
468N25.4Very low26.4Very low132 Ų132126 Ų12671%0.70671%0.709SS**  trans-71.257.3156.4-71-10.9000107.4T466 T470T466-N468 WeakPolarHBondContact CG2-OD1 3.41Å; T466-N468 PolarHBondContact O-N 3.12Å; N468-T470 PolarHBondContact O-N 3.34Å
469S26.2Very low26Very low88 Ų88127.4 Ų127.462%0.61570%0.7SS**  trans-73.387.2167.759.50000107.3I467I467-S469 WeakPolarHBondContact CG2-OG 3.43Å; I467-S469 PolarHBondContact O-N 3.35Å
470T24.6Very low26.1Very low109 Ų109123.8 Ų123.867%0.66967%0.674SS**  trans-17.6136.7155.245.70000114.7N468 S472N468-T470 PolarHBondContact O-N 3.34Å; T470-S472 PolarHBondContact O-N 2.85Å; T470-S472 PolarHBondContact O-OG 2.78Å
471L29.4Very low26.3Very low160 Ų160118.8 Ų118.884%0.83864%0.644SS**SBendtrans-52.746.7179.9-160.872.3000116.6F474L471-F474 HydrophobicContact CD1-CE2 4.1Å
472S27.6Very low26.5Very low92 Ų92113.7 Ų113.764%0.64362%0.619SS**  trans-132.917.9-168.767.40000116.1T470T470-S472 PolarHBondContact O-N 2.85Å; T470-S472 PolarHBondContact O-OG 2.78Å
473T24.2Very low26.9Very low126 Ų126105.2 Ų105.277%0.77358%0.584SS**  trans-134.148.6171.247.10000112.7N475T473-N475 PolarHBondContact O-N 3.14Å
474F25.3Very low27.6Very low158 Ų15899.6 Ų99.669%0.69356%0.555SS**  trans-83.885.5157.9-81.8-78.5000109L471L471-F474 HydrophobicContact CD1-CE2 4.1Å
475N25.3Very low28.6Very low160 Ų16096.9 Ų96.986%0.85654%0.542SS*.  trans-151.38.7167.3-108.4-6.3000113.8T473T473-N475 PolarHBondContact O-N 3.14Å
476E26.8Very low29.8Very low137 Ų13793.7 Ų93.764%0.6452%0.52SS*.SBendtrans-84.7123.2155.2-77.9-154.6143.700108L478 K479E476-L478 PolarHBondContact O-N 3.18Å; E476-K479 IonicContact OE1-NZ 2.84Å; E476-K479 PolarHBondContact OE1-NZ 3.16Å; E476-K479 IonicContact OE2-NZ 2.98Å; E476-K479 PolarHBondContact OE2-NZ 2.9Å
477P25.2Very low31.9Very low89 Ų8989.2 Ų89.258%0.57849%0.493SS*.PPolyproline II helixtrans-62.3131167.326.4-32.3000108.8K479P477-K479 PolarHBondContact O-N 3.42Å; P477-K479 VanDerWaalsContact O-N 3.14Å
478L24Very low34.2Very low80 Ų8083 Ų8342%0.41946%0.461SS..PPolyproline II helixtrans-58.7120.9-171.8-8189.2000111.1E476 F480 L486E476-L478 PolarHBondContact O-N 3.18Å; L478-F480 PolarHBondContact O-N 2.99Å; L478-L486 HydrophobicContact CD2-CD2 4.12Å
479K22.9Very low36.6Very low150 Ų15079.1 Ų79.165%0.65244%0.437SS*.PPolyproline II helixtrans-61.7122.9177.5-71.5156.3-177.5143.80109.1E476 P477 S481E476-K479 IonicContact OE1-NZ 2.84Å; E476-K479 PolarHBondContact OE1-NZ 3.16Å; E476-K479 IonicContact OE2-NZ 2.98Å; E476-K479 PolarHBondContact OE2-NZ 2.9Å; P477-K479 PolarHBondContact O-N 3.42Å; P477-K479 VanDerWaalsContact O-N 3.14Å; K479-S481 PolarHBondContact O-N 3.27Å
480F30.2Very low38.7Very low49 Ų4978 Ų7822%0.21542%0.422CS..PPolyproline II helixtrans-53.4133.5-175.2-82.7-87.5000113.8L478 I498 D597 L598L478-F480 PolarHBondContact O-N 2.99Å; F480-I498 HydrophobicContact CZ-CD1 4.31Å; F480-D597 WeakPolarHBondContact CE2-OD1 3.25Å; F480-L598 HydrophobicContact CB-CB 4.26Å
481S32Very low40.7Very low17 Ų1774.7 Ų74.712%0.11940%0.398CS..  trans46112.8151.165.20000120.2K479 L598 Y600K479-S481 PolarHBondContact O-N 3.27Å; S481-L598 WeakPolarHBondContact OG-CB 3.29Å; S481-Y600 VanDerWaalsContact OG-CE2 3.27Å; S481-Y600 WeakPolarHBondContact OG-CE2 3.36Å; S481-Y600 PolarHBondContact OG-OH 3.22Å
482I30.6Very low42.6Very low48 Ų4868 Ų6825%0.24636%0.363CS..SBendtrans-80.5-174.5141.1-71.1-178.7000107.9A419 T484A419-I482 HydrophobicContact CB-CB 3.95Å; A419-I482 HydrophobicContact CB-CG1 3.97Å; A419-I482 HydrophobicContact CB-CG2 4.07Å; I482-T484 WeakPolarHBondContact O-CA 3.29Å; I482-T484 PolarHBondContact O-N 2.95Å
483P36.6Very low44.5Very low12 Ų1265.8 Ų65.88%0.07834%0.344CS..SBendtrans-62.8114.9152.422.5-32.6000108.3T440 G485T440-P483 HydrophobicContact CG2-CB 3.86Å; P483-G485 PolarHBondContact O-N 3.45Å
484T42.1Very low46.1Very low25 Ų2560.7 Ų60.715%0.15331%0.313CS..  -45.2-43.7-106.847.40000116.3S441 I482 L486S441-T484 PolarHBondContact O-N 3.47Å; I482-T484 WeakPolarHBondContact O-CA 3.29Å; I482-T484 PolarHBondContact O-N 2.95Å; T484-L486 WeakPolarHBondContact CB-O 3.44Å; T484-L486 PolarHBondContact O-N 3.04Å; T484-L486 PolarHBondContact OG1-O 2.79Å
485G46.9Very low47.5Very low39 Ų3954 Ų5440%0.40228%0.284SS..  trans70.9-37.1-171.100000112.1P483P483-G485 PolarHBondContact O-N 3.45Å
486L52.6Low48.9Very low47 Ų4750.6 Ų50.625%0.24626%0.263CS..SBendtrans-68141.5159.5-60.8178.3000111.4L478 T484 E490L478-L486 HydrophobicContact CD2-CD2 4.12Å; T484-L486 WeakPolarHBondContact CB-O 3.44Å; T484-L486 PolarHBondContact O-N 3.04Å; T484-L486 PolarHBondContact OG1-O 2.79Å; L486-E490 WeakPolarHBondContact CA-OE2 3.37Å; L486-E490 HydrophobicContact CB-CB 4.11Å; L486-E490 HydrophobicContact CD2-CB 4.07Å
487T67.7Low49.7Very low11 Ų1148 Ų487%0.06725%0.252CS..  trans-81.5168.417781.70000111.8Y489 E490 F491 L611 D612T487-Y489 PolarHBondContact O-N 2.65Å; T487-Y489 PolarHBondContact OG1-N 3.37Å; T487-E490 HydrophobicContact CG2-CG 4.38Å; T487-E490 WeakPolarHBondContact CG2-OE2 3.23Å; T487-E490 PolarHBondContact N-OE2 3.39Å; T487-E490 PolarHBondContact O-N 2.94Å; T487-E490 WeakPolarHBondContact OG1-CG 3.4Å; T487-E490 PolarHBondContact OG1-N 3.09Å; T487-E490 VanDerWaalsContact OG1-N 3.09Å; T487-F491 WeakPolarHBondContact O-CB 3.3Å; T487-F491 PolarHBondContact O-N 2.99Å; T487-L611 HydrophobicContact CG2-CB 3.7Å; T487-D612 VanDerWaalsContact CB-OD2 3.25Å; T487-D612 WeakPolarHBondContact CB-OD2 3.28Å; T487-D612 HydrophobicContact CG2-CB 3.57Å; T487-D612 VanDerWaalsContact CG2-OD2 3.24Å; T487-D612 WeakPolarHBondContact CG2-OD2 3.31Å; T487-D612 PolarHBondContact OG1-OD2 3.19Å
488I73Confident50.6Low13 Ų1346 Ų467%0.06724%0.236CC..Hα-helixtrans-57-40.9174-71.2173.7000110.5F491 M492 W603 V614 E618 L619 A622I488-F491 PolarHBondContact O-N 3.09Å; I488-M492 WeakPolarHBondContact O-CB 3.39Å; I488-M492 PolarHBondContact O-N 3.31Å; I488-M492 VanDerWaalsContact O-N 3.07Å; I488-W603 HydrophobicContact CD1-CH2 3.93Å; I488-W603 HydrophobicContact CD1-CZ2 4.26Å; I488-W603 HydrophobicContact CG1-CH2 3.87Å; I488-W603 HydrophobicContact CG1-CZ2 3.84Å; I488-V614 HydrophobicContact CD1-CG1 3.81Å; I488-V614 HydrophobicContact CD1-CG2 4.06Å; I488-E618 HydrophobicContact CG2-CB 4.2Å; I488-L619 HydrophobicContact CD1-CD1 4.16Å; I488-A622 HydrophobicContact CG2-CB 3.95Å
489Y75.5Confident51.2Low51 Ų5145.7 Ų45.720%0.223%0.234CC..Hα-helixtrans-66.4-43.5175.9176.8-111.7000112.8R140 N144 T487 M492 N493 E618R140-Y489 VanDerWaalsContact CD-CE2 3.45Å; R140-Y489 HydrophobicContact CG-CD2 4.22Å; R140-Y489 HydrophobicContact CG-CE2 3.72Å; R140-Y489 VanDerWaalsContact CZ-CG 3.48Å; R140-Y489 VanDerWaalsContact NE-CD2 3.33Å; N144-Y489 PolarHBondContact ND2-OH 3.09Å; N144-Y489 VanDerWaalsContact ND2-OH 3.08Å; T487-Y489 PolarHBondContact O-N 2.65Å; T487-Y489 PolarHBondContact OG1-N 3.37Å; Y489-M492 HydrophobicContact CD2-CE 3.66Å; Y489-M492 HydrophobicContact CE2-CE 3.95Å; Y489-M492 WeakPolarHBondContact O-CB 3.25Å; Y489-M492 PolarHBondContact O-N 3.44Å; Y489-N493 WeakPolarHBondContact CE1-ND2 3.38Å; Y489-N493 WeakPolarHBondContact CE2-ND2 3.47Å; Y489-N493 VanDerWaalsContact O-CG 3.22Å; Y489-N493 PolarHBondContact O-N 3.31Å; Y489-N493 PolarHBondContact O-ND2 3.11Å; Y489-E618 VanDerWaalsContact CD2-OE1 3.24Å; Y489-E618 WeakPolarHBondContact CD2-OE1 3.43Å
490E69.2Low51.8Low66 Ų6644.5 Ų44.531%0.30823%0.231SC..Hα-helixtrans-66.6-38.4176.4-69.5173156.200112.1L486 T487 N493 C494L486-E490 WeakPolarHBondContact CA-OE2 3.37Å; L486-E490 HydrophobicContact CB-CB 4.11Å; L486-E490 HydrophobicContact CD2-CB 4.07Å; T487-E490 HydrophobicContact CG2-CG 4.38Å; T487-E490 WeakPolarHBondContact CG2-OE2 3.23Å; T487-E490 PolarHBondContact N-OE2 3.39Å; T487-E490 PolarHBondContact O-N 2.94Å; T487-E490 WeakPolarHBondContact OG1-CG 3.4Å; T487-E490 PolarHBondContact OG1-N 3.09Å; T487-E490 VanDerWaalsContact OG1-N 3.09Å; E490-N493 PolarHBondContact O-N 3.34Å; E490-C494 WeakPolarHBondContact O-CB 3.25Å; E490-C494 PolarHBondContact O-N 3.32Å; E490-C494 PolarHBondContact O-SG 3.47Å
491F67Low52Low39 Ų3946.1 Ų46.117%0.17124%0.242CC..Hα-helixtrans-57.2-49.2171.8171-103.6000111.6T487 I488 C494 Q495 A622 Q625 L626T487-F491 WeakPolarHBondContact O-CB 3.3Å; T487-F491 PolarHBondContact O-N 2.99Å; I488-F491 PolarHBondContact O-N 3.09Å; F491-C494 PolarHBondContact O-N 3.44Å; F491-Q495 HydrophobicContact CE2-CG 4.23Å; F491-Q495 HydrophobicContact CZ-CG 4.27Å; F491-Q495 WeakPolarHBondContact O-CG 3.11Å; F491-Q495 PolarHBondContact O-N 3.36Å; F491-A622 HydrophobicContact CD1-CB 3.88Å; F491-A622 HydrophobicContact CE1-CB 4.03Å; F491-Q625 HydrophobicContact CE1-CB 4.11Å; F491-Q625 HydrophobicContact CZ-CB 4.3Å; F491-L626 HydrophobicContact CE1-CD2 4.49Å; F491-L626 HydrophobicContact CE1-CG 4.2Å; F491-L626 HydrophobicContact CE2-CD2 4.38Å; F491-L626 HydrophobicContact CZ-CD2 3.8Å; F491-L626 HydrophobicContact CZ-CG 3.96Å
492M69.5Low52Low18 Ų1850.7 Ų50.79%0.08926%0.261CS..Hα-helixtrans-57.5-49.7177.4-176.8-175.677.500111.7I488 Y489 C494 Q495 Q496 E618 Q621I488-M492 WeakPolarHBondContact O-CB 3.39Å; I488-M492 PolarHBondContact O-N 3.31Å; I488-M492 VanDerWaalsContact O-N 3.07Å; Y489-M492 HydrophobicContact CD2-CE 3.66Å; Y489-M492 HydrophobicContact CE2-CE 3.95Å; Y489-M492 WeakPolarHBondContact O-CB 3.25Å; Y489-M492 PolarHBondContact O-N 3.44Å; M492-C494 PolarHBondContact O-N 2.82Å; M492-Q495 PolarHBondContact O-N 3.04Å; M492-Q496 PolarHBondContact O-N 2.94Å; M492-E618 HydrophobicContact CE-CG 4.33Å; M492-E618 HydrophobicContact SD-CB 4.33Å; M492-E618 HydrophobicContact SD-CG 4.22Å; M492-Q621 HydrophobicContact CG-CB 4.24Å; M492-Q621 HydrophobicContact SD-CB 3.98Å; M492-Q621 VanDerWaalsContact SD-CD 3.53Å; M492-Q621 HydrophobicContact SD-CG 3.93Å; M492-Q621 PolarHBondContact SD-OE1 3.05Å
493N68.5Low52.1Low46 Ų4652.9 Ų52.925%0.24627%0.273CS..Hα-helixtrans-66-38-178.9-65.9-22000112.8Y489 E490 Q495 Q496 I497Y489-N493 WeakPolarHBondContact CE1-ND2 3.38Å; Y489-N493 WeakPolarHBondContact CE2-ND2 3.47Å; Y489-N493 VanDerWaalsContact O-CG 3.22Å; Y489-N493 PolarHBondContact O-N 3.31Å; Y489-N493 PolarHBondContact O-ND2 3.11Å; E490-N493 PolarHBondContact O-N 3.34Å; N493-Q495 VanDerWaalsContact C-N 3.33Å; N493-Q495 PolarHBondContact O-N 2.96Å; N493-Q496 PolarHBondContact O-N 2.68Å; N493-I497 WeakPolarHBondContact O-CG1 3.45Å; N493-I497 PolarHBondContact O-N 2.86Å
494C57.9Low51.8Low20 Ų2057.7 Ų57.714%0.13530%0.298CS..Hα-helixtrans-61.5-40.7176-69.40000112.1E490 F491 M492 I497 I498E490-C494 WeakPolarHBondContact O-CB 3.25Å; E490-C494 PolarHBondContact O-N 3.32Å; E490-C494 PolarHBondContact O-SG 3.47Å; F491-C494 PolarHBondContact O-N 3.44Å; M492-C494 PolarHBondContact O-N 2.82Å; C494-I497 PolarHBondContact O-N 2.82Å; C494-I498 WeakPolarHBondContact O-CG1 3.4Å; C494-I498 PolarHBondContact O-N 3.05Å
495Q55.1Low51.1Low17 Ų1762 Ų628%0.07932%0.32CS..Hα-helixtrans-69.4-36.5179.5-67.3-61.3-4800112.3F491 M492 N493 I497 I498 M499 Q629F491-Q495 HydrophobicContact CE2-CG 4.23Å; F491-Q495 HydrophobicContact CZ-CG 4.27Å; F491-Q495 WeakPolarHBondContact O-CG 3.11Å; F491-Q495 PolarHBondContact O-N 3.36Å; M492-Q495 PolarHBondContact O-N 3.04Å; N493-Q495 VanDerWaalsContact C-N 3.33Å; N493-Q495 PolarHBondContact O-N 2.96Å; Q495-I497 VanDerWaalsContact C-N 3.31Å; Q495-I497 PolarHBondContact O-N 2.75Å; Q495-I498 PolarHBondContact O-N 2.92Å; Q495-M499 WeakPolarHBondContact O-CG 3.46Å; Q495-M499 PolarHBondContact O-N 3.04Å; Q495-Q629 VanDerWaalsContact OE1-NE2 3.17Å
496Q53.1Low50.2Low89 Ų8965 Ų6542%0.41633%0.33SS..Hα-helixtrans-59.2-42.2174.9-69.4179.73.600111.8M492 N493 M499 Q500M492-Q496 PolarHBondContact O-N 2.94Å; N493-Q496 PolarHBondContact O-N 2.68Å; Q496-M499 PolarHBondContact O-N 2.99Å; Q496-Q500 WeakPolarHBondContact O-CG 3.47Å; Q496-Q500 PolarHBondContact O-N 3.37Å
497I45.3Very low48.9Very low81 Ų8169.3 Ų69.342%0.41535%0.354SS..Hα-helixtrans-64.6-43.7176.3-63.5165.5000111.4N493 C494 Q495 M499 Q500 N501N493-I497 WeakPolarHBondContact O-CG1 3.45Å; N493-I497 PolarHBondContact O-N 2.86Å; C494-I497 PolarHBondContact O-N 2.82Å; Q495-I497 VanDerWaalsContact C-N 3.31Å; Q495-I497 PolarHBondContact O-N 2.75Å; I497-M499 VanDerWaalsContact C-N 3.34Å; I497-M499 PolarHBondContact O-N 2.89Å; I497-Q500 PolarHBondContact O-N 2.91Å; I497-N501 PolarHBondContact O-N 3.13Å; I497-N501 VanDerWaalsContact O-N 3.11Å; I497-N501 PolarHBondContact O-ND2 3.37Å
498I42.3Very low46.8Very low47 Ų4773.9 Ų73.924%0.24138%0.382CS..Hα-helixtrans-62-42.1177.5-67.5165.7000110.8F480 C494 Q495 H502F480-I498 HydrophobicContact CZ-CD1 4.31Å; C494-I498 WeakPolarHBondContact O-CG1 3.4Å; C494-I498 PolarHBondContact O-N 3.05Å; Q495-I498 PolarHBondContact O-N 2.92Å; I498-H502 PolarHBondContact O-CD2 3.28Å; I498-H502 PolarHBondContact O-N 2.99Å
499M37Very low44.4Very low75 Ų7580 Ų8037%0.36941%0.413SS..Hα-helixtrans-68.8-37.5178-69-163.681.800113.3K247 Q495 Q496 I497 H502 N503K247-M499 PolarHBondContact NZ-SD 2.85Å; Q495-M499 WeakPolarHBondContact O-CG 3.46Å; Q495-M499 PolarHBondContact O-N 3.04Å; Q496-M499 PolarHBondContact O-N 2.99Å; I497-M499 VanDerWaalsContact C-N 3.34Å; I497-M499 PolarHBondContact O-N 2.89Å; M499-H502 WeakPolarHBondContact O-CB 3.26Å; M499-H502 PolarHBondContact O-N 3.1Å; M499-N503 PolarHBondContact O-N 2.97Å
500Q36.5Very low41.7Very low124 Ų12486.9 Ų86.958%0.57945%0.447SS*.Hα-helixtrans-62.7-48.4175.9-77.2175-15.800111.2Q496 I497 H502 N503 D504Q496-Q500 WeakPolarHBondContact O-CG 3.47Å; Q496-Q500 PolarHBondContact O-N 3.37Å; I497-Q500 PolarHBondContact O-N 2.91Å; Q500-H502 PolarHBondContact O-N 3.47Å; Q500-H502 VanDerWaalsContact O-N 3.16Å; Q500-N503 PolarHBondContact O-N 2.94Å; Q500-D504 PolarHBondContact O-N 3.21Å
501N33.5Very low39.6Very low84 Ų8489.8 Ų89.845%0.44947%0.469SS..Hα-helixtrans-60.1-25.8175.1-71.4-25.4000113.2I497 N505I497-N501 PolarHBondContact O-N 3.13Å; I497-N501 VanDerWaalsContact O-N 3.11Å; I497-N501 PolarHBondContact O-ND2 3.37Å; N501-N505 PolarHBondContact O-ND2 3.47Å
502H32.7Very low37.5Very low112 Ų11295 Ų9552%0.51950%0.499SS..Hα-helixtrans-73.9-38.9172.8-94.9-66.5000113I498 M499 Q500 V506I498-H502 PolarHBondContact O-CD2 3.28Å; I498-H502 PolarHBondContact O-N 2.99Å; M499-H502 WeakPolarHBondContact O-CB 3.26Å; M499-H502 PolarHBondContact O-N 3.1Å; Q500-H502 PolarHBondContact O-N 3.47Å; Q500-H502 VanDerWaalsContact O-N 3.16Å; H502-V506 WeakPolarHBondContact O-CG2 3.44Å; H502-V506 PolarHBondContact O-N 3.38Å
503N31.3Very low35.1Very low94 Ų94101 Ų10150%0.50354%0.537SS..Hα-helixtrans-71-39.6-178.5-78.7-5.5000112.8M499 Q500 N505 V506 N507M499-N503 PolarHBondContact O-N 2.97Å; Q500-N503 PolarHBondContact O-N 2.94Å; N503-N505 PolarHBondContact O-N 3Å; N503-V506 PolarHBondContact O-N 3.38Å; N503-N507 PolarHBondContact O-N 3.3Å
504D31.4Very low32.9Very low113 Ų113104.9 Ų104.960%0.60456%0.562SS**Hα-helixtrans-64.1-31.1179.1-70.2-21.8000112.5Q500 T508Q500-D504 PolarHBondContact O-N 3.21Å; D504-T508 PolarHBondContact O-OG1 3.45Å
505N27.7Very low31.1Very low115 Ų115111 Ų11162%0.61559%0.593SS**THydrogen-bonded Turntrans-77.6-15.8175-77.1-50.7000114.1N501 N503N501-N505 PolarHBondContact O-ND2 3.47Å; N503-N505 PolarHBondContact O-N 3Å
506V27Very low29.6Very low102 Ų102117.8 Ų117.862%0.61863%0.631SS**THydrogen-bonded Turntrans-90.1-33.4178.8171.40000111.5H502 N503 T508H502-V506 WeakPolarHBondContact O-CG2 3.44Å; H502-V506 PolarHBondContact O-N 3.38Å; N503-V506 PolarHBondContact O-N 3.38Å; V506-T508 PolarHBondContact O-N 2.93Å
507N24.9Very low28.1Very low138 Ų138118.8 Ų118.874%0.73864%0.643SS**THydrogen-bonded Turntrans-81.312.1-177.2-73.3-19.9000114.9N503N503-N507 PolarHBondContact O-N 3.3Å
508T23.8Very low26.9Very low107 Ų107120.2 Ų120.266%0.65666%0.656SS**THydrogen-bonded Turntrans-118.316.9-177.440.10000114.5D504 V506D504-T508 PolarHBondContact O-OG1 3.45Å; V506-T508 PolarHBondContact O-N 2.93Å
509I23.3Very low25.9Very low141 Ų141124.3 Ų124.372%0.72368%0.678SS**  trans-111.663.2175.5-44.1-178.3000111.2
510E19.2Very low25Very low196 Ų196126.6 Ų126.692%0.91670%0.696SS**  trans-98.8102.3150.8-75.6-170.9152.400107.7
511V24.1Very low24.3Very low128 Ų128126.5 Ų126.578%0.77670%0.704SS**  trans-135.2124.1168.6-179.80000108.7
512D22.8Very low23.5Very low149 Ų149128.3 Ų128.380%0.79772%0.718SS**  trans-54.4130.9-171-72.3-65000114.6T514D512-T514 PolarHBondContact O-N 3.35Å
513T19.9Very low22.9Very low144 Ų144127.8 Ų127.888%0.88373%0.728SS**  trans-74.798.8161.648.40000109.5
514T23.3Very low22.3Very low127 Ų127129.2 Ų129.278%0.77974%0.74SS**  trans-125.9126.1158.7440000110.5D512D512-T514 PolarHBondContact O-N 3.35Å
515D19.8Very low21.7Very low147 Ų147129.5 Ų129.579%0.78675%0.746SS**  trans-61.4143.3-178-60-73.9000111.9
516N23.4Very low21.3Very low161 Ų161130.4 Ų130.486%0.86175%0.751SS**  -156121.9124.1-102.5-49.8000113.7
517T20.4Very low20.9Very low109 Ų109131 Ų13167%0.66976%0.755SS**  trans-48.5163170.1400000117.6
518T20.8Very low20.7Very low112 Ų112130.5 Ų130.569%0.68776%0.757SS**  trans90.9122.7144.1410000122.7
519N21.6Very low20.5Very low132 Ų132130.1 Ų130.171%0.70677%0.765SS**  trans72.9107.9140.6-58.8-11.1000118.6
520T18.3Very low20.3Very low123 Ų123126.6 Ų126.676%0.75576%0.763SS**  71.3143.972.957.90000116.9
521T20.5Very low20.4Very low122 Ų122123.2 Ų123.275%0.74876%0.756SS**  trans72.594.7166.838.10000120.4
522T18.1Very low20.2Very low122 Ų122122.3 Ų122.375%0.74875%0.751SS**  40.3152.4114.5550000122.8
523S20Very low20.1Very low102 Ų102121.4 Ų121.471%0.71375%0.746SS**  trans81.599.3164.777.70000114.6
524T18.3Very low20.2Very low123 Ų123119.9 Ų119.976%0.75574%0.736SS**  74.5131.483.8560000116.5
525T18.4Very low20Very low120 Ų120118.9 Ų118.974%0.73673%0.73SS**  trans75139.7153.549.60000121.3
526N20.1Very low20.1Very low134 Ų134117.9 Ų117.972%0.71773%0.729SS**  trans73.2102.2146.9-67.93000117.3
527T18.9Very low20Very low115 Ų115114.3 Ų114.371%0.70672%0.717SS**  103.9147.76744.70000111.8
528T19.4Very low20.1Very low127 Ų127114.6 Ų114.678%0.77972%0.719SS**  trans68104.5154.743.80000120.5
529A19.8Very low20.1Very low99 Ų99114.4 Ų114.482%0.81872%0.718SS**  84.4132.2110.600000121.1
530G19.8Very low20.2Very low66 Ų66114 Ų11468%0.6872%0.716SS**  trans80157.515900000115.8
531T20Very low20.4Very low125 Ų125114 Ų11477%0.76772%0.716SS**  cis-167.2148.4-15.9-1.60000108.2
532T19.8Very low20.5Very low110 Ų110113.9 Ų113.968%0.67572%0.715SS**  trans61.3139.9146.756.20000122.5
533N21.5Very low20.7Very low130 Ų130113.6 Ų113.670%0.69571%0.713SS**  trans91.8116.9132.2-785.7000121.3
534T20.9Very low20.9Very low111 Ų111114.8 Ų114.868%0.68172%0.716SS**  65.7148.1122.7660000118.9
535T20.6Very low21.1Very low106 Ų106113.9 Ų113.965%0.6572%0.715SS**  cis-173.6162.6-1.620.10000106.7
536T21.1Very low21.4Very low126 Ų126112.9 Ų112.977%0.77371%0.713SS**  trans60.2151.2150.249.40000118.5
537S21.5Very low21.5Very low86 Ų86111.5 Ų111.560%0.60171%0.714SS**  cis-174.2178.1-15.851.80000107.4
538T22.4Very low21.8Very low115 Ų115112.4 Ų112.471%0.70672%0.719SS**  trans63.3139.1147.447.70000119.8
539T21.1Very low21.9Very low108 Ų108111.9 Ų111.966%0.66372%0.716SS**  cis-168.4177.1-19.523.90000108.2
540D23Very low22.1Very low124 Ų124114.5 Ų114.566%0.66372%0.716SS**  trans89.7106.5145.4-59.6-42.2000122.1
541T22.3Very low22.3Very low123 Ų123115.3 Ų115.376%0.75572%0.717SS**  trans68.514813163.10000119.9
542T24.3Very low22.4Very low119 Ų119114.9 Ų114.973%0.7371%0.714SS**  cis-153141.418.3-7.20000112.3
543T21.3Very low22.6Very low116 Ų116116.3 Ų116.371%0.71272%0.718SS**  trans11.4128145.255.70000122.4
544T24.8Very low22.7Very low127 Ų127115.1 Ų115.178%0.77972%0.715SS**  -176.2110.910631.10000113.1
545S22.9Very low22.7Very low104 Ų104115.3 Ų115.373%0.72772%0.716SS**  41.4142.5122.562.50000121.4
546S23.2Very low22.7Very low100 Ų100116.6 Ų116.670%0.69972%0.718SS**  cis-176.6119.81.645.50000108.4
547S22Very low22.7Very low104 Ų104116.1 Ų116.173%0.72772%0.715SS**  84.5112.796.177.10000118.2
548T25.6Very low22.7Very low134 Ų134117 Ų11782%0.82272%0.717SS**  trans-173.993.213924.80000108.5
549T21.5Very low22.6Very low117 Ų117117.8 Ų117.872%0.71872%0.717SS**  64.79987.561.30000116.9
550N24.8Very low22.7Very low153 Ų153118.4 Ų118.482%0.81872%0.721SS**  179.6116.4120.6-87.5-14.8000108.6
551A23.5Very low22.6Very low84 Ų84117.8 Ų117.869%0.69472%0.722SS**  73.7128.893.700000112.7
552T22.9Very low22.5Very low116 Ų116117.6 Ų117.671%0.71272%0.72SS**  cis-167.6163.410.41.80000110.2
553N24.5Very low22.4Very low139 Ų139116.6 Ų116.674%0.74372%0.718SS**  trans69.9135.6150.8-70.14.5000119.2
554T22.8Very low22.4Very low105 Ų105116.7 Ų116.764%0.64472%0.719SS**  cis-167.4143.2-14.6-4.70000109.3
555T20.8Very low22.1Very low115 Ų115116.7 Ų116.771%0.70672%0.719SS**  trans33.4148.6135.259.70000121.8
556I20.3Very low22.1Very low134 Ų134117.2 Ų117.269%0.68772%0.722SS**  cis-173.3142.98.9-115.5166000109.7
557T20.8Very low21.9Very low115 Ų115118.7 Ų118.771%0.70673%0.727SS**  trans46.4171.6152.276.40000120.8
558T22Very low21.9Very low106 Ų106119.9 Ų119.965%0.6573%0.73SS**  cis-158.1140.77.1-9.90000111.1
559N20.8Very low21.6Very low131 Ų131120.3 Ų120.370%0.70173%0.728SS**  trans43.1136.6130.7-69.94.2000124.3
560T21.8Very low21.5Very low121 Ų121120.5 Ų120.574%0.74273%0.729SS**  trans70.6148.6135.458.70000118.3
561T22.3Very low21.3Very low111 Ų111118.7 Ų118.768%0.68172%0.724SS**  cis-163.1146.10.56.10000111
562T20.2Very low21.1Very low119 Ų119120.4 Ų120.473%0.7373%0.726SS**  trans39.9140143.6580000124.2
563S21.1Very low21Very low98 Ų98121.4 Ų121.469%0.68573%0.727SS**  101.2130.5124.258.80000123
564T22.1Very low20.9Very low118 Ų118121.2 Ų121.272%0.72473%0.725SS**  trans72.3101.6141.9460000121.6
565T19.1Very low20.8Very low126 Ų126122.7 Ų122.777%0.77373%0.729SS**  29.5117.6117.456.50000119.2
566S22.1Very low20.8Very low115 Ų115121.9 Ų121.980%0.80473%0.729SS**  -177.8148.1107.556.90000113.1
567T18.7Very low20.8Very low131 Ų131122.9 Ų122.980%0.80473%0.734SS**  trans-57.8137.9170.247.20000114.5
568T21.4Very low20.7Very low129 Ų129125.8 Ų125.879%0.79174%0.739SS**  trans-171.1125.813127.70000112.9
569N19.6Very low20.5Very low143 Ų143128.1 Ų128.177%0.76575%0.746SS**  trans29.4146.9134.5-68.9-6.9000124.1
570T20.1Very low20.4Very low121 Ų121129.6 Ų129.674%0.74275%0.749SS**  trans81.6108.7142.139.60000121.4
571T19.8Very low20.3Very low116 Ų116129.9 Ų129.971%0.71275%0.75SS**  trans71.6123.8131.352.60000122.4
572T19.9Very low20.3Very low120 Ų120131.1 Ų131.174%0.73675%0.753SS**  trans78.6137.3136.251.10000121.4
573N21.6Very low20.5Very low137 Ų137130.2 Ų130.273%0.73375%0.752SS**  trans84.5103.4155.9-62-6.8000118.8
574N20.9Very low20.4Very low134 Ų134134.2 Ų134.272%0.71776%0.764SS**  71.1142.8120.4-72.119.1000122
575D21.7Very low20.5Very low136 Ų136137 Ų13773%0.72777%0.769SS**  trans79.8106.8151.1-56-24.2000120
576S20.2Very low20.6Very low99 Ų99137 Ų13769%0.69277%0.774SS**  trans71.6108.5137.855.80000120
577I19.5Very low20.6Very low154 Ų154138.2 Ų138.279%0.7977%0.77SS**  47.4106.4122.2-53.1160.7000115.9
578Q19.8Very low20.7Very low177 Ų177136.8 Ų136.883%0.82777%0.766SS**  -153.3139.6115.5-113.5177.634.200113
579I18.2Very low20.8Very low154 Ų154139.5 Ų139.579%0.7977%0.767SS**  trans-84.4126.4175.4-65.2161.1000107.3
580Q19.2Very low20.9Very low162 Ų162139.6 Ų139.676%0.75777%0.767SS**  trans-122.4110.4164.2-80.5-170.8-13.900110.4
581T18.5Very low21.1Very low127 Ų127141.2 Ų141.278%0.77977%0.772SS**  trans-64.9121.5165.346.80000109.8
582N22.7Very low21.3Very low137 Ų137141 Ų14173%0.73377%0.77SS**  trans-131.5113.8165.3-92-31.3000110.7
583S23.8Very low21.6Very low101 Ų101141.7 Ų141.771%0.70677%0.768SS**  trans34.9105.5149.553.80000118.3Q585S583-Q585 PolarHBondContact O-N 2.9Å
584L20.4Very low21.8Very low181 Ų181140.8 Ų140.895%0.94876%0.763SS**  trans-57.5122158.2-62.896.3000109.9
585Q22.5Very low22.2Very low177 Ų177144.8 Ų144.883%0.82777%0.768SS**  trans-113.1133.3153.8-79.7-172-28.400108.3S583 I587S583-Q585 PolarHBondContact O-N 2.9Å; Q585-I587 PolarHBondContact O-N 3.13Å; Q585-I587 VanDerWaalsContact O-N 3.12Å
586S22Very low22.8Very low126 Ų126147 Ų14788%0.88177%0.768SS**  trans-62.2106.8-174.638.60000111.8
587I22.2Very low23.5Very low140 Ų140145.6 Ų145.672%0.71875%0.752SS**  trans-83.3113.8162.1-62.6176.2000106.6Q585 F589Q585-I587 PolarHBondContact O-N 3.13Å; Q585-I587 VanDerWaalsContact O-N 3.12Å; I587-F589 WeakPolarHBondContact O-CD2 3.15Å; I587-F589 PolarHBondContact O-N 3.49Å
588S21Very low24.4Very low101 Ų101138.6 Ų138.671%0.70672%0.716SS**  trans-64105176.248.70000110.1N590S588-N590 PolarHBondContact O-N 2.64Å
589F23.7Very low25.6Very low187 Ų187133.1 Ų133.182%0.8270%0.697SS**  trans-69.6101.3172.9-78.8-83.7000109.4I587 N591I587-F589 WeakPolarHBondContact O-CD2 3.15Å; I587-F589 PolarHBondContact O-N 3.49Å; F589-N591 PolarHBondContact O-N 3.12Å
590N22.3Very low27.3Very low145 Ų145126.7 Ų126.778%0.77566%0.663SS**  trans-60136.1169.7-89.4-24.8000110.1S588 T592S588-N590 PolarHBondContact O-N 2.64Å; N590-T592 PolarHBondContact O-N 2.8Å
591N24.2Very low29.4Very low155 Ų155120.6 Ų120.683%0.82964%0.638SS**SBendtrans-66.886.8-179.2-75-39000112.4F589F589-N591 PolarHBondContact O-N 3.12Å
592T23.2Very low31.9Very low110 Ų110114.6 Ų114.668%0.67560%0.602SS**  trans-127.678.4157.653.50000108.8N590 D594N590-T592 PolarHBondContact O-N 2.8Å; T592-D594 VanDerWaalsContact C-N 3.28Å; T592-D594 PolarHBondContact O-N 3.08Å
593I26.1Very low34.6Very low135 Ų135109 Ų10969%0.69257%0.57SS**  trans-71.990.4167-58.7174.6000106.8R595I593-R595 PolarHBondContact O-N 2.75Å
594D26.2Very low37.5Very low119 Ų119104.2 Ų104.264%0.63654%0.537SS*.  trans-65104.9172.4-81.9-33.3000109.4T592 Y596T592-D594 VanDerWaalsContact C-N 3.28Å; T592-D594 PolarHBondContact O-N 3.08Å; D594-Y596 HydrophobicContact CB-CD2 4.25Å; D594-Y596 HydrophobicContact CB-CE2 3.95Å; D594-Y596 PolarHBondContact O-N 3.49Å
595R29.8Very low40.6Very low217 Ų21795.6 Ų95.682%0.81949%0.492SS*.  trans-65.195.5-180-66.6177.9179.4168.1-3111I593 D597I593-R595 PolarHBondContact O-N 2.75Å; R595-D597 VanDerWaalsContact C-N 3.3Å
596Y32.3Very low43.7Very low183 Ų18387.3 Ų87.372%0.71845%0.453SS*.  trans-96.838.6166.2-73-72.9000112.7D594D594-Y596 HydrophobicContact CB-CD2 4.25Å; D594-Y596 HydrophobicContact CB-CE2 3.95Å; D594-Y596 PolarHBondContact O-N 3.49Å
597D36.4Very low46.8Very low70 Ų7081.9 Ų81.937%0.37441%0.414SS..  trans-69.6125.2172.3-64.4-32.8000110.5F480 R595 C599F480-D597 WeakPolarHBondContact CE2-OD1 3.25Å; R595-D597 VanDerWaalsContact C-N 3.3Å; D597-C599 PolarHBondContact O-N 3.46Å
598L38.2Very low49.6Very low6 Ų676.6 Ų76.63%0.03139%0.387CS..  trans-72.486.3158-87.287.8000108.6K422 F480 S481 Y600 R631K422-L598 HydrophobicContact CD-CD1 3.79Å; K422-L598 VanDerWaalsContact CE-CD1 3.41Å; K422-L598 HydrophobicContact CG-CD1 4.25Å; F480-L598 HydrophobicContact CB-CB 4.26Å; S481-L598 WeakPolarHBondContact OG-CB 3.29Å; L598-Y600 HydrophobicContact CB-CE2 4.47Å; L598-Y600 HydrophobicContact CD2-CE1 4.2Å; L598-Y600 VanDerWaalsContact CD2-OH 3.29Å; L598-Y600 WeakPolarHBondContact CD2-OH 3.49Å; L598-Y600 PolarHBondContact O-N 3.07Å; L598-Y600 VanDerWaalsContact O-N 3.13Å; L598-R631 PolarHBondContact O-NH1 3.12Å; L598-R631 PolarHBondContact O-NH2 3.19Å
599C44.1Very low52.6Low62 Ų6272 Ų7242%0.41936%0.355SS..  trans-76.791.1166.4-64.50000109.3K429 D597K429-C599 PolarHBondContact NZ-O 2.91Å; D597-C599 PolarHBondContact O-N 3.46Å
600Y55.1Low55Low19 Ų1963.3 Ų63.38%0.07532%0.317CS..  trans-70.5142.6152.6-53.9-56.6000109.2W425 I438 T440 S481 L598 S602W425-Y600 HydrophobicContact CD2-CE1 4.22Å; W425-Y600 HydrophobicContact CE3-CD1 4.37Å; W425-Y600 AromaticContact CE3-CE1 3.58Å; W425-Y600 HydrophobicContact CE3-CE1 3.58Å; W425-Y600 HydrophobicContact CH2-CE1 4.2Å; W425-Y600 HydrophobicContact CZ3-CD1 4.21Å; W425-Y600 AromaticContact CZ3-CE1 3.56Å; W425-Y600 HydrophobicContact CZ3-CE1 3.56Å; I438-Y600 WeakPolarHBondContact O-CB 3.24Å; T440-Y600 HydrophobicContact CG2-CD1 4.45Å; T440-Y600 HydrophobicContact CG2-CD2 4.25Å; T440-Y600 HydrophobicContact CG2-CE1 3.82Å; T440-Y600 HydrophobicContact CG2-CE2 3.56Å; T440-Y600 WeakPolarHBondContact CG2-OH 3.42Å; S481-Y600 VanDerWaalsContact OG-CE2 3.27Å; S481-Y600 WeakPolarHBondContact OG-CE2 3.36Å; S481-Y600 PolarHBondContact OG-OH 3.22Å; L598-Y600 HydrophobicContact CB-CE2 4.47Å; L598-Y600 HydrophobicContact CD2-CE1 4.2Å; L598-Y600 VanDerWaalsContact CD2-OH 3.29Å; L598-Y600 WeakPolarHBondContact CD2-OH 3.49Å; L598-Y600 PolarHBondContact O-N 3.07Å; L598-Y600 VanDerWaalsContact O-N 3.13Å; Y600-S602 WeakPolarHBondContact CB-O 3.43Å; Y600-S602 PolarHBondContact O-N 3.23Å
601S63Low57.6Low34 Ų3457.2 Ų57.224%0.23828%0.284CS..SBendtrans-65.4-24.2172.452.70000112.5F437 I438 R631 Q632F437-S601 WeakPolarHBondContact CA-OG 3.48Å; I438-S601 PolarHBondContact N-OG 3.37Å; I438-S601 VanDerWaalsContact N-OG 3.09Å; I438-S601 PolarHBondContact O-OG 3.16Å; S601-R631 WeakPolarHBondContact O-CA 3.39Å; S601-Q632 PolarHBondContact O-N 3.45Å
602S71.7Confident60.4Low2 Ų250.2 Ų50.21%0.01425%0.247CC..EExtended strand (participates in β ladder)trans-155165-171.847.30000113.1T439 Y600 Q632T439-S602 WeakPolarHBondContact CB-OG 3.41Å; T439-S602 PolarHBondContact OG1-O 3.25Å; T439-S602 VanDerWaalsContact OG1-O 3.06Å; Y600-S602 WeakPolarHBondContact CB-O 3.43Å; Y600-S602 PolarHBondContact O-N 3.23Å; S602-Q632 CarbonylContact C-O 3.56Å; S602-Q632 WeakPolarHBondContact CA-O 3.34Å; S602-Q632 WeakPolarHBondContact CB-O 3.21Å
603W78.4Confident63.6Low20 Ų2045 Ų458%0.07622%0.215CC..EExtended strand (participates in β ladder)trans-127126.4177.4177.262.5000109.5T442 I488 F605 L619 A622 L626 Q632 V633 I634T442-W603 HydrophobicContact CG2-CZ2 3.69Å; I488-W603 HydrophobicContact CD1-CH2 3.93Å; I488-W603 HydrophobicContact CD1-CZ2 4.26Å; I488-W603 HydrophobicContact CG1-CH2 3.87Å; I488-W603 HydrophobicContact CG1-CZ2 3.84Å; W603-F605 HydrophobicContact CD2-CB 4.23Å; W603-F605 HydrophobicContact CE3-CB 4.14Å; W603-F605 AromaticContact CE3-CD1 3.73Å; W603-F605 HydrophobicContact CE3-CD1 3.73Å; W603-F605 HydrophobicContact CE3-CG 4.25Å; W603-F605 HydrophobicContact CH2-CB 3.51Å; W603-F605 AromaticContact CH2-CD1 3.93Å; W603-F605 HydrophobicContact CH2-CD1 3.93Å; W603-F605 HydrophobicContact CH2-CD2 4.41Å; W603-F605 AromaticContact CH2-CG 3.71Å; W603-F605 HydrophobicContact CH2-CG 3.71Å; W603-F605 HydrophobicContact CZ2-CB 3.57Å; W603-F605 HydrophobicContact CZ2-CG 4.29Å; W603-F605 HydrophobicContact CZ3-CB 3.8Å; W603-F605 AromaticContact CZ3-CD1 3.38Å; W603-F605 HydrophobicContact CZ3-CD1 3.38Å; W603-F605 HydrophobicContact CZ3-CE1 4.08Å; W603-F605 AromaticContact CZ3-CG 3.68Å; W603-F605 HydrophobicContact CZ3-CG 3.68Å; W603-L619 HydrophobicContact CH2-CD1 4.16Å; W603-L619 HydrophobicContact CZ3-CD1 4.24Å; W603-A622 HydrophobicContact CH2-CB 4.47Å; W603-L626 HydrophobicContact CB-CD1 3.81Å; W603-L626 HydrophobicContact CB-CD2 4.25Å; W603-L626 HydrophobicContact CD2-CD1 3.51Å; W603-L626 HydrophobicContact CE3-CD1 3.14Å; W603-L626 HydrophobicContact CG-CD1 3.83Å; W603-L626 HydrophobicContact CZ3-CD1 3.83Å; W603-Q632 PolarHBondContact N-O 3.41Å; W603-V633 HydrophobicContact CE3-CG1 4.05Å; W603-V633 HydrophobicContact CZ3-CG1 4.41Å; W603-I634 PolarHBondContact O-N 3.11Å
604L85Confident66.7Low0 Ų039 Ų390%019%0.185CC..EExtended strand (participates in β ladder)trans-105.1123.3174.3-174.7155.7000110.2I414 T439 T440 S441 T442 I634 K660I414-L604 HydrophobicContact CD1-CD1 3.69Å; I414-L604 HydrophobicContact CG1-CD1 4.08Å; I414-L604 HydrophobicContact CG2-CD1 4.16Å; T439-L604 HydrophobicContact CG2-CB 4.34Å; T439-L604 PolarHBondContact OG1-N 3.42Å; T440-L604 PolarHBondContact O-N 3.48Å; T440-L604 VanDerWaalsContact O-N 3.1Å; S441-L604 CarbonylContact C-O 3.42Å; S441-L604 WeakPolarHBondContact CA-O 3.42Å; T442-L604 PolarHBondContact N-O 3.28Å; L604-I634 VanDerWaalsContact CA-O 3.32Å; L604-I634 WeakPolarHBondContact CA-O 3.44Å; L604-I634 HydrophobicContact CB-CB 4.12Å; L604-I634 HydrophobicContact CD1-CB 4.41Å; L604-I634 HydrophobicContact CD1-CG2 4.03Å; L604-I634 HydrophobicContact CG-CB 4.17Å; L604-I634 HydrophobicContact CG-CG2 4.16Å; L604-K660 HydrophobicContact CD1-CD 4.21Å
605F86.1Confident70Confident0 Ų033.3 Ų33.30%015%0.154CC..EExtended strand (participates in β ladder)trans-123.7155177.480.5-84.1000112.8T442 W603 L619 V633 I634 F635 S636 I656T442-F605 HydrophobicContact CG2-CB 3.88Å; T442-F605 WeakPolarHBondContact OG1-CA 3.21Å; W603-F605 HydrophobicContact CD2-CB 4.23Å; W603-F605 HydrophobicContact CE3-CB 4.14Å; W603-F605 AromaticContact CE3-CD1 3.73Å; W603-F605 HydrophobicContact CE3-CD1 3.73Å; W603-F605 HydrophobicContact CE3-CG 4.25Å; W603-F605 HydrophobicContact CH2-CB 3.51Å; W603-F605 AromaticContact CH2-CD1 3.93Å; W603-F605 HydrophobicContact CH2-CD1 3.93Å; W603-F605 HydrophobicContact CH2-CD2 4.41Å; W603-F605 AromaticContact CH2-CG 3.71Å; W603-F605 HydrophobicContact CH2-CG 3.71Å; W603-F605 HydrophobicContact CZ2-CB 3.57Å; W603-F605 HydrophobicContact CZ2-CG 4.29Å; W603-F605 HydrophobicContact CZ3-CB 3.8Å; W603-F605 AromaticContact CZ3-CD1 3.38Å; W603-F605 HydrophobicContact CZ3-CD1 3.38Å; W603-F605 HydrophobicContact CZ3-CE1 4.08Å; W603-F605 AromaticContact CZ3-CG 3.68Å; W603-F605 HydrophobicContact CZ3-CG 3.68Å; F605-L619 HydrophobicContact CD2-CD1 3.91Å; F605-L619 HydrophobicContact CE1-CD1 4.2Å; F605-L619 HydrophobicContact CE2-CD1 3.52Å; F605-L619 HydrophobicContact CE2-CD2 3.79Å; F605-L619 HydrophobicContact CE2-CG 4.3Å; F605-L619 HydrophobicContact CG-CD1 4.41Å; F605-L619 HydrophobicContact CZ-CD1 3.68Å; F605-L619 HydrophobicContact CZ-CD2 4.09Å; F605-L619 HydrophobicContact CZ-CG 4.43Å; F605-V633 HydrophobicContact CD1-CG1 3.89Å; F605-V633 HydrophobicContact CE1-CG1 3.59Å; F605-I634 PolarHBondContact N-O 3.33Å; F605-F635 HydrophobicContact CD1-CB 4.44Å; F605-F635 AromaticContact CD2-CD2 3.93Å; F605-F635 HydrophobicContact CD2-CD2 3.93Å; F605-F635 HydrophobicContact CD2-CE2 4.41Å; F605-F635 HydrophobicContact CE1-CB 3.63Å; F605-F635 HydrophobicContact CE1-CD2 4.05Å; F605-F635 HydrophobicContact CE1-CG 4.13Å; F605-F635 HydrophobicContact CE2-CB 4.43Å; F605-F635 AromaticContact CE2-CD2 3.3Å; F605-F635 HydrophobicContact CE2-CD2 3.3Å; F605-F635 AromaticContact CE2-CE2 3.75Å; F605-F635 HydrophobicContact CE2-CE2 3.75Å; F605-F635 HydrophobicContact CE2-CG 4.04Å; F605-F635 HydrophobicContact CZ-CB 3.62Å; F605-F635 AromaticContact CZ-CD2 3.37Å; F605-F635 HydrophobicContact CZ-CD2 3.37Å; F605-F635 HydrophobicContact CZ-CE2 4.18Å; F605-F635 AromaticContact CZ-CG 3.6Å; F605-F635 HydrophobicContact CZ-CG 3.6Å; F605-S636 PolarHBondContact O-N 2.8Å; F605-I656 HydrophobicContact CE1-CD1 3.93Å; F605-I656 HydrophobicContact CZ-CD1 3.81Å
606T86.3Confident73.1Confident2 Ų223 Ų231%0.01212%0.115CC..  trans-122.7172.3167.858.60000109.8T442 I443 D608 D638T442-T606 PolarHBondContact OG1-N 3.45Å; I443-T606 HydrophobicContact CD1-CG2 3.76Å; I443-T606 HydrophobicContact CG1-CG2 3.94Å; T606-D608 WeakPolarHBondContact CB-OD2 3.29Å; T606-D608 PolarHBondContact O-N 3.22Å; T606-D608 WeakPolarHBondContact OG1-CB 3.45Å; T606-D608 VanDerWaalsContact OG1-CG 3.24Å; T606-D608 PolarHBondContact OG1-N 3.47Å; T606-D608 PolarHBondContact OG1-OD2 3.18Å; T606-D638 HydrophobicContact CG2-CB 4.1Å
607M87.2Confident76.1Confident12 Ų1214.6 Ų14.66%0.0598%0.083CC..SBendtrans-82.214.9167.5-60.4-59.5-62.700112.7T208 W209 M212 T609 V614 F635 M650T208-M607 HydrophobicContact CG2-CE 3.75Å; W209-M607 HydrophobicContact CH2-CB 4.11Å; W209-M607 HydrophobicContact CH2-CG 4.33Å; W209-M607 HydrophobicContact CZ2-CB 4.05Å; M212-M607 HydrophobicContact CE-CE 3.73Å; M212-M607 HydrophobicContact CE-SD 4.38Å; M607-T609 PolarHBondContact O-N 3.16Å; M607-V614 HydrophobicContact CE-CB 4.2Å; M607-V614 HydrophobicContact CE-CG1 3.82Å; M607-V614 HydrophobicContact SD-CG1 4.13Å; M607-F635 HydrophobicContact CG-CE2 3.99Å; M607-F635 HydrophobicContact CG-CZ 4.15Å; M607-F635 HydrophobicContact SD-CE2 4.37Å; M607-M650 HydrophobicContact SD-CE 4.48Å
608D82.1Confident78.7Confident29 Ų2911.7 Ų11.716%0.1557%0.067CC..  trans-73.7118.4-177.4-65.4-50.9000111.6T606 C610 N639T606-D608 WeakPolarHBondContact CB-OD2 3.29Å; T606-D608 PolarHBondContact O-N 3.22Å; T606-D608 WeakPolarHBondContact OG1-CB 3.45Å; T606-D608 VanDerWaalsContact OG1-CG 3.24Å; T606-D608 PolarHBondContact OG1-N 3.47Å; T606-D608 PolarHBondContact OG1-OD2 3.18Å; D608-C610 PolarHBondContact O-N 3.32Å; D608-N639 VanDerWaalsContact CG-ND2 3.32Å; D608-N639 WeakPolarHBondContact OD1-CB 3.46Å; D608-N639 PolarHBondContact OD1-ND2 2.9Å; D608-N639 PolarHBondContact OD2-ND2 3.4Å; D608-N639 VanDerWaalsContact OD2-ND2 3.11Å
609T82.3Confident81.3Confident6 Ų611.4 Ų11.44%0.0377%0.066CC..  trans-84.841.3-173.755.50000113.6A200 T205 T208 M607 L611 D612A200-T609 WeakPolarHBondContact CB-O 3.33Å; T205-T609 WeakPolarHBondContact CA-OG1 3.16Å; T205-T609 PolarHBondContact OG1-OG1 3.34Å; T208-T609 HydrophobicContact CG2-CG2 3.83Å; T208-T609 WeakPolarHBondContact OG1-CG2 3.48Å; M607-T609 PolarHBondContact O-N 3.16Å; T609-L611 PolarHBondContact O-N 3.48Å; T609-D612 CarbonylContact C-O 3.47Å; T609-D612 VanDerWaalsContact CA-O 3.23Å; T609-D612 WeakPolarHBondContact CA-O 3.31Å; T609-D612 WeakPolarHBondContact CB-O 3.3Å
610C74.9Confident83.6Confident3 Ų38.4 Ų8.42%0.025%0.046CC..SBendtrans-72.7-30.5-169.7-550000113.4C93 L199 A200 I444 D608C93-C610 WeakPolarHBondContact CB-SG 3.47Å; L199-C610 WeakPolarHBondContact CA-O 3.37Å; A200-C610 PolarHBondContact N-O 3.21Å; I444-C610 HydrophobicContact CB-CB 4.29Å; I444-C610 HydrophobicContact CD1-CB 3.37Å; I444-C610 HydrophobicContact CG1-CB 3.55Å; D608-C610 PolarHBondContact O-N 3.32Å
611L76.5Confident85.2Confident18 Ų189 Ų99%0.0945%0.049CC..SBendtrans-118.4-20.7-173.9-61.3165.5000112.9R147 I197 I444 T487 T609R147-L611 PolarHBondContact NH1-O 2.89Å; R147-L611 PolarHBondContact NH2-O 3.06Å; I197-L611 HydrophobicContact CG2-CD2 3.42Å; I197-L611 VanDerWaalsContact CG2-CD2 3.42Å; I444-L611 HydrophobicContact CD1-CD2 3.43Å; I444-L611 VanDerWaalsContact CD1-CD2 3.43Å; I444-L611 HydrophobicContact CD1-CG 3.71Å; I444-L611 HydrophobicContact CG1-CD1 4.14Å; I444-L611 HydrophobicContact CG1-CD2 3.84Å; I444-L611 HydrophobicContact CG1-CG 3.77Å; T487-L611 HydrophobicContact CG2-CB 3.7Å; T609-L611 PolarHBondContact O-N 3.48Å
612D84Confident86.3Confident7 Ų77.4 Ų7.44%0.0374%0.038CC..SBendtrans-164173.8-174.8-136.8-54.9000111R140 Y143 R147 T487 T609R140-D612 IonicContact CZ-OD1 2.69Å; R140-D612 IonicContact NH1-OD1 2.83Å; R140-D612 PolarHBondContact NH1-OD1 3.1Å; R140-D612 IonicContact NH1-OD2 3.99Å; R140-D612 IonicContact NH2-OD1 3.69Å; R140-D612 PolarHBondContact NH2-OD1 3.08Å; Y143-D612 WeakPolarHBondContact CE1-OD1 2.93Å; R147-D612 IonicContact NH1-OD1 2.74Å; R147-D612 IonicContact NH1-OD2 2.66Å; R147-D612 PolarHBondContact NH1-OD2 3.34Å; T487-D612 VanDerWaalsContact CB-OD2 3.25Å; T487-D612 WeakPolarHBondContact CB-OD2 3.28Å; T487-D612 HydrophobicContact CG2-CB 3.57Å; T487-D612 VanDerWaalsContact CG2-OD2 3.24Å; T487-D612 WeakPolarHBondContact CG2-OD2 3.31Å; T487-D612 PolarHBondContact OG1-OD2 3.19Å; T609-D612 CarbonylContact C-O 3.47Å; T609-D612 VanDerWaalsContact CA-O 3.23Å; T609-D612 WeakPolarHBondContact CA-O 3.31Å; T609-D612 WeakPolarHBondContact CB-O 3.3Å
613C89.5Confident87Confident1 Ų17.3 Ų7.31%0.0074%0.037CC..  trans-77.6150.5156.259.10000110.8R140 Y143 A204 L207 T208 L615R140-C613 PolarHBondContact NH2-O 3.24Å; R140-C613 PolarHBondContact NH2-SG 3.29Å; R140-C613 VanDerWaalsContact NH2-SG 3.39Å; Y143-C613 VanDerWaalsContact CD1-SG 3.59Å; A204-C613 HydrophobicContact CB-CB 4.27Å; A204-C613 WeakPolarHBondContact O-CB 3.49Å; L207-C613 HydrophobicContact CB-CB 4.35Å; T208-C613 VanDerWaalsContact OG1-CA 3.31Å; T208-C613 WeakPolarHBondContact OG1-CA 3.33Å; T208-C613 WeakPolarHBondContact OG1-CB 3.46Å; C613-L615 HydrophobicContact CB-CD2 4.46Å
614V90.8Very high87.4Confident9 Ų97 Ų76%0.0554%0.036CC..  trans-107.8109.6173.5178.70000107.7T208 I488 M607T208-V614 HydrophobicContact CG2-CB 3.91Å; T208-V614 WeakPolarHBondContact CG2-O 3.34Å; T208-V614 PolarHBondContact OG1-N 3.03Å; I488-V614 HydrophobicContact CD1-CG1 3.81Å; I488-V614 HydrophobicContact CD1-CG2 4.06Å; M607-V614 HydrophobicContact CE-CB 4.2Å; M607-V614 HydrophobicContact CE-CG1 3.82Å; M607-V614 HydrophobicContact SD-CG1 4.13Å
615L95.4Very high87.2Confident0 Ų07.9 Ų7.90%04%0.041CC..  trans-99142.4176.4-53.5-178.1000109.4D136 I139 R140 C613 T617 E618 L619D136-L615 HydrophobicContact CB-CB 4.43Å; D136-L615 WeakPolarHBondContact O-CD1 3.35Å; D136-L615 WeakPolarHBondContact OD2-CB 3.48Å; I139-L615 HydrophobicContact CB-CD1 4.42Å; I139-L615 HydrophobicContact CB-CD2 4.35Å; I139-L615 HydrophobicContact CG2-CD1 4.25Å; I139-L615 HydrophobicContact CG2-CD2 3.59Å; R140-L615 HydrophobicContact CB-CD1 3.64Å; C613-L615 HydrophobicContact CB-CD2 4.46Å; L615-T617 VanDerWaalsContact C-N 3.32Å; L615-T617 PolarHBondContact O-N 2.98Å; L615-E618 HydrophobicContact CB-CB 4.35Å; L615-E618 HydrophobicContact CB-CG 4.05Å; L615-E618 PolarHBondContact O-N 3.14Å; L615-L619 WeakPolarHBondContact O-CB 3.36Å; L615-L619 PolarHBondContact O-N 3.38Å
616I95.9Very high86.8Confident0 Ų08.2 Ų8.20%04%0.042CC..Hα-helixtrans-63-41.8-172.3-59.3-52.2000110.9D136 S211 M212 H215 M232 L235 E618 L619 I620 M650D136-I616 PolarHBondContact OD2-N 3.33Å; S211-I616 PolarHBondContact OG-N 2.88Å; M212-I616 HydrophobicContact CB-CD1 4.5Å; M212-I616 HydrophobicContact CE-CD1 3.45Å; M212-I616 VanDerWaalsContact CE-CD1 3.45Å; M212-I616 HydrophobicContact SD-CD1 3.95Å; H215-I616 HydrophobicContact CB-CG1 4.42Å; H215-I616 VanDerWaalsContact CD2-CB 3.48Å; H215-I616 WeakPolarHBondContact CD2-CB 3.18Å; H215-I616 WeakPolarHBondContact CD2-CG1 3.36Å; M232-I616 HydrophobicContact CE-CD1 4.38Å; M232-I616 HydrophobicContact CE-CG1 4.45Å; M232-I616 HydrophobicContact CE-CG2 3.55Å; M232-I616 HydrophobicContact SD-CG2 3.81Å; L235-I616 HydrophobicContact CD2-CG2 3.7Å; I616-E618 VanDerWaalsContact C-N 3.31Å; I616-E618 PolarHBondContact O-N 3.44Å; I616-L619 WeakPolarHBondContact O-CB 3.3Å; I616-L619 PolarHBondContact O-N 3.36Å; I616-I620 HydrophobicContact CG2-CD1 4.04Å; I616-I620 VanDerWaalsContact O-CG1 3.3Å; I616-I620 WeakPolarHBondContact O-CG1 3.43Å; I616-I620 PolarHBondContact O-N 3Å; I616-M650 HydrophobicContact CD1-SD 4.5Å
617T94.6Very high86.6Confident6 Ų68.7 Ų8.74%0.0374%0.044CC..Hα-helixtrans-68.2-34.7-178.462.10000111.8I133 D136 L235 V239 L615 I620 Q621I133-T617 HydrophobicContact CB-CG2 4.49Å; I133-T617 HydrophobicContact CG1-CG2 3.96Å; D136-T617 HydrophobicContact CB-CG2 3.96Å; D136-T617 VanDerWaalsContact CB-OG1 3.22Å; D136-T617 WeakPolarHBondContact CB-OG1 3.41Å; D136-T617 WeakPolarHBondContact OD2-CG2 3.36Å; D136-T617 PolarHBondContact OD2-N 3.32Å; D136-T617 PolarHBondContact OD2-OG1 3.33Å; L235-T617 HydrophobicContact CD1-CG2 4.46Å; V239-T617 HydrophobicContact CG2-CG2 4.11Å; L615-T617 VanDerWaalsContact C-N 3.32Å; L615-T617 PolarHBondContact O-N 2.98Å; T617-I620 WeakPolarHBondContact O-CB 3.5Å; T617-I620 PolarHBondContact O-N 3.47Å; T617-Q621 WeakPolarHBondContact O-CG 3.4Å; T617-Q621 PolarHBondContact O-N 3.38Å
618E91.8Very high86.2Confident9 Ų912.3 Ų12.34%0.0426%0.064CC..Hα-helixtrans-70.7-39.8175.9-61.6179.1155.400111.7R140 I488 Y489 M492 L615 I616 I620 Q621 A622R140-E618 WeakPolarHBondContact CG-OE1 3.47Å; R140-E618 IonicContact CZ-OE1 2.75Å; R140-E618 IonicContact CZ-OE2 3.75Å; R140-E618 IonicContact NE-OE1 3.8Å; R140-E618 PolarHBondContact NE-OE1 2.86Å; R140-E618 IonicContact NE-OE2 2.64Å; R140-E618 PolarHBondContact NE-OE2 3.14Å; R140-E618 IonicContact NH2-OE1 3.84Å; R140-E618 IonicContact NH2-OE2 3.49Å; R140-E618 PolarHBondContact NH2-OE2 3.19Å; I488-E618 HydrophobicContact CG2-CB 4.2Å; Y489-E618 VanDerWaalsContact CD2-OE1 3.24Å; Y489-E618 WeakPolarHBondContact CD2-OE1 3.43Å; M492-E618 HydrophobicContact CE-CG 4.33Å; M492-E618 HydrophobicContact SD-CB 4.33Å; M492-E618 HydrophobicContact SD-CG 4.22Å; L615-E618 HydrophobicContact CB-CB 4.35Å; L615-E618 HydrophobicContact CB-CG 4.05Å; L615-E618 PolarHBondContact O-N 3.14Å; I616-E618 VanDerWaalsContact C-N 3.31Å; I616-E618 PolarHBondContact O-N 3.44Å; E618-I620 VanDerWaalsContact C-N 3.3Å; E618-I620 PolarHBondContact O-N 2.82Å; E618-Q621 PolarHBondContact O-N 3.37Å; E618-A622 WeakPolarHBondContact O-CB 3.42Å; E618-A622 PolarHBondContact O-N 3.49Å
619L92.1Very high85.8Confident0 Ų014 Ų140%07%0.07CC..Hα-helixtrans-59-42.9171.4174.861.5000111I488 W603 F605 L615 I616 A622 I623 M650I488-L619 HydrophobicContact CD1-CD1 4.16Å; W603-L619 HydrophobicContact CH2-CD1 4.16Å; W603-L619 HydrophobicContact CZ3-CD1 4.24Å; F605-L619 HydrophobicContact CD2-CD1 3.91Å; F605-L619 HydrophobicContact CE1-CD1 4.2Å; F605-L619 HydrophobicContact CE2-CD1 3.52Å; F605-L619 HydrophobicContact CE2-CD2 3.79Å; F605-L619 HydrophobicContact CE2-CG 4.3Å; F605-L619 HydrophobicContact CG-CD1 4.41Å; F605-L619 HydrophobicContact CZ-CD1 3.68Å; F605-L619 HydrophobicContact CZ-CD2 4.09Å; F605-L619 HydrophobicContact CZ-CG 4.43Å; L615-L619 WeakPolarHBondContact O-CB 3.36Å; L615-L619 PolarHBondContact O-N 3.38Å; I616-L619 WeakPolarHBondContact O-CB 3.3Å; I616-L619 PolarHBondContact O-N 3.36Å; L619-A622 PolarHBondContact O-N 2.74Å; L619-I623 HydrophobicContact CD1-CD1 3.88Å; L619-I623 HydrophobicContact CD1-CG1 4.12Å; L619-I623 HydrophobicContact CG-CD1 3.83Å; L619-I623 HydrophobicContact CG-CG1 4.48Å; L619-I623 VanDerWaalsContact O-CG1 3.25Å; L619-I623 WeakPolarHBondContact O-CG1 3.46Å; L619-I623 PolarHBondContact O-N 3Å; L619-M650 HydrophobicContact CD2-CE 4.37Å; L619-M650 HydrophobicContact CD2-SD 4.44Å
620I92.9Very high85.3Confident0 Ų019.7 Ų19.70%010%0.101CC..Hα-helixtrans-58.8-47.6173.4-73168.5000111.3L235 Y236 V239 I240 I616 T617 E618 A622 I623 H624 L654L235-I620 HydrophobicContact CB-CD1 4.22Å; L235-I620 HydrophobicContact CD2-CD1 3.61Å; L235-I620 HydrophobicContact CG-CD1 3.61Å; Y236-I620 HydrophobicContact CD2-CG2 3.77Å; Y236-I620 HydrophobicContact CE2-CG2 4.4Å; Y236-I620 HydrophobicContact CG-CG2 4.15Å; V239-I620 HydrophobicContact CB-CG2 3.7Å; V239-I620 HydrophobicContact CG1-CB 4.32Å; V239-I620 HydrophobicContact CG1-CG2 3.6Å; V239-I620 HydrophobicContact CG2-CD1 4.34Å; V239-I620 HydrophobicContact CG2-CG2 4.11Å; I240-I620 HydrophobicContact CD1-CG2 4.47Å; I616-I620 HydrophobicContact CG2-CD1 4.04Å; I616-I620 VanDerWaalsContact O-CG1 3.3Å; I616-I620 WeakPolarHBondContact O-CG1 3.43Å; I616-I620 PolarHBondContact O-N 3Å; T617-I620 WeakPolarHBondContact O-CB 3.5Å; T617-I620 PolarHBondContact O-N 3.47Å; E618-I620 VanDerWaalsContact C-N 3.3Å; E618-I620 PolarHBondContact O-N 2.82Å; I620-A622 VanDerWaalsContact C-N 3.31Å; I620-A622 PolarHBondContact O-N 3.45Å; I620-I623 PolarHBondContact O-N 3.07Å; I620-H624 WeakPolarHBondContact O-CB 3.3Å; I620-H624 PolarHBondContact O-N 3.45Å; I620-L654 HydrophobicContact CD1-CD2 3.9Å; I620-L654 HydrophobicContact CG1-CD1 4.2Å; I620-L654 HydrophobicContact CG1-CD2 3.59Å
621Q88.9Confident85.3Confident32 Ų3220.9 Ų20.915%0.1511%0.105CC..Hα-helixtrans-59.4-44.6177.3-46.3-149.62.900110.8V239 I243 M492 T617 E618 H624 Q625V239-Q621 HydrophobicContact CG1-CG 3.85Å; I243-Q621 HydrophobicContact CD1-CB 4.17Å; I243-Q621 HydrophobicContact CD1-CG 3.8Å; M492-Q621 HydrophobicContact CG-CB 4.24Å; M492-Q621 HydrophobicContact SD-CB 3.98Å; M492-Q621 VanDerWaalsContact SD-CD 3.53Å; M492-Q621 HydrophobicContact SD-CG 3.93Å; M492-Q621 PolarHBondContact SD-OE1 3.05Å; T617-Q621 WeakPolarHBondContact O-CG 3.4Å; T617-Q621 PolarHBondContact O-N 3.38Å; E618-Q621 PolarHBondContact O-N 3.37Å; Q621-H624 PolarHBondContact O-N 2.92Å; Q621-Q625 WeakPolarHBondContact O-CG 3.37Å; Q621-Q625 PolarHBondContact O-N 2.93Å
622A85.1Confident85.5Confident0 Ų020.5 Ų20.50%010%0.102CC..Hα-helixtrans-63.3-46.7-179.500000112.5I488 F491 W603 E618 L619 I620 H624 Q625 L626I488-A622 HydrophobicContact CG2-CB 3.95Å; F491-A622 HydrophobicContact CD1-CB 3.88Å; F491-A622 HydrophobicContact CE1-CB 4.03Å; W603-A622 HydrophobicContact CH2-CB 4.47Å; E618-A622 WeakPolarHBondContact O-CB 3.42Å; E618-A622 PolarHBondContact O-N 3.49Å; L619-A622 PolarHBondContact O-N 2.74Å; I620-A622 VanDerWaalsContact C-N 3.31Å; I620-A622 PolarHBondContact O-N 3.45Å; A622-H624 VanDerWaalsContact C-N 3.33Å; A622-H624 PolarHBondContact O-N 3.01Å; A622-Q625 PolarHBondContact O-N 3.44Å; A622-L626 WeakPolarHBondContact O-CD1 3.47Å; A622-L626 VanDerWaalsContact O-CG 3.26Å; A622-L626 WeakPolarHBondContact O-CG 3.34Å; A622-L626 PolarHBondContact O-N 2.75Å
623I87Confident85.6Confident0 Ų020.1 Ų20.10%010%0.101CC..Hα-helixtrans-56.9-48.2174.9-69.5167.2000110.3Y236 L619 I620 Q625 L626 H627 V633 L654 I656Y236-I623 HydrophobicContact CE2-CG2 4.33Å; L619-I623 HydrophobicContact CD1-CD1 3.88Å; L619-I623 HydrophobicContact CD1-CG1 4.12Å; L619-I623 HydrophobicContact CG-CD1 3.83Å; L619-I623 HydrophobicContact CG-CG1 4.48Å; L619-I623 VanDerWaalsContact O-CG1 3.25Å; L619-I623 WeakPolarHBondContact O-CG1 3.46Å; L619-I623 PolarHBondContact O-N 3Å; I620-I623 PolarHBondContact O-N 3.07Å; I623-Q625 PolarHBondContact O-N 2.93Å; I623-L626 PolarHBondContact O-N 3.17Å; I623-H627 PolarHBondContact O-N 2.88Å; I623-V633 HydrophobicContact CG1-CG1 4.25Å; I623-V633 HydrophobicContact CG2-CG2 4.34Å; I623-L654 HydrophobicContact CD1-CB 4.15Å; I623-L654 HydrophobicContact CD1-CD1 3.8Å; I623-I656 HydrophobicContact CD1-CD1 3.85Å; I623-I656 HydrophobicContact CD1-CG1 4.01Å
624H86.6Confident85.6Confident13 Ų1320.2 Ų20.26%0.0610%0.101CC..Hα-helixtrans-60.8-45178.8-17978.5000112.9Y236 I240 I620 Q621 A622 L626 H627 L628Y236-H624 HydrophobicContact CE2-CB 4.26Å; Y236-H624 AromaticContact CZ-ND1 3.72Å; Y236-H624 PolarHBondContact OH-ND1 3.22Å; I240-H624 HydrophobicContact CD1-CB 3.57Å; I620-H624 WeakPolarHBondContact O-CB 3.3Å; I620-H624 PolarHBondContact O-N 3.45Å; Q621-H624 PolarHBondContact O-N 2.92Å; A622-H624 VanDerWaalsContact C-N 3.33Å; A622-H624 PolarHBondContact O-N 3.01Å; H624-L626 VanDerWaalsContact C-N 3.32Å; H624-L626 PolarHBondContact O-N 3.11Å; H624-H627 PolarHBondContact O-N 2.84Å; H624-L628 WeakPolarHBondContact O-CG 3.38Å; H624-L628 PolarHBondContact O-N 2.94Å
625Q80.5Confident85.8Confident19 Ų1919.8 Ų19.89%0.08910%0.098CC..Hα-helixtrans-62.9-37.4176.4-67-49.7-45.600112.3F491 Q621 A622 I623 L628 Q629F491-Q625 HydrophobicContact CE1-CB 4.11Å; F491-Q625 HydrophobicContact CZ-CB 4.3Å; Q621-Q625 WeakPolarHBondContact O-CG 3.37Å; Q621-Q625 PolarHBondContact O-N 2.93Å; A622-Q625 PolarHBondContact O-N 3.44Å; I623-Q625 PolarHBondContact O-N 2.93Å; Q625-L628 PolarHBondContact O-N 3.17Å; Q625-Q629 WeakPolarHBondContact O-CG 3.43Å; Q625-Q629 PolarHBondContact O-N 2.6Å; Q625-Q629 VanDerWaalsContact O-N 3.09Å
626L79.4Confident85.7Confident6 Ų619.9 Ų19.93%0.03110%0.099CC..Hα-helixtrans-67-41.5176.4-68.9165.4000111.7F491 W603 A622 I623 H624 Q629 N630 R631 V633F491-L626 HydrophobicContact CE1-CD2 4.49Å; F491-L626 HydrophobicContact CE1-CG 4.2Å; F491-L626 HydrophobicContact CE2-CD2 4.38Å; F491-L626 HydrophobicContact CZ-CD2 3.8Å; F491-L626 HydrophobicContact CZ-CG 3.96Å; W603-L626 HydrophobicContact CB-CD1 3.81Å; W603-L626 HydrophobicContact CB-CD2 4.25Å; W603-L626 HydrophobicContact CD2-CD1 3.51Å; W603-L626 HydrophobicContact CE3-CD1 3.14Å; W603-L626 HydrophobicContact CG-CD1 3.83Å; W603-L626 HydrophobicContact CZ3-CD1 3.83Å; A622-L626 WeakPolarHBondContact O-CD1 3.47Å; A622-L626 VanDerWaalsContact O-CG 3.26Å; A622-L626 WeakPolarHBondContact O-CG 3.34Å; A622-L626 PolarHBondContact O-N 2.75Å; I623-L626 PolarHBondContact O-N 3.17Å; H624-L626 VanDerWaalsContact C-N 3.32Å; H624-L626 PolarHBondContact O-N 3.11Å; L626-Q629 CarbonylContact O-C 3.55Å; L626-Q629 WeakPolarHBondContact O-CA 3.42Å; L626-Q629 PolarHBondContact O-N 3.02Å; L626-Q629 VanDerWaalsContact O-N 3.14Å; L626-N630 PolarHBondContact O-N 3.05Å; L626-R631 HydrophobicContact CB-CB 4.36Å; L626-R631 HydrophobicContact CD2-CB 4.29Å; L626-R631 PolarHBondContact O-N 2.97Å; L626-V633 HydrophobicContact CB-CG2 4.03Å; L626-V633 HydrophobicContact CD1-CG2 4.05Å
627H81.8Confident85.5Confident13 Ų1319.9 Ų19.96%0.0610%0.099CC..Hα-helixtrans-64.8-38.7173.7-72.5163.2000113H260 I623 H624 Q629 N630 G655 D657H260-H627 AromaticContact CD2-CE1 3.91Å; H260-H627 AromaticContact CD2-CG 3.58Å; H260-H627 AromaticContact CD2-ND1 3.47Å; H260-H627 PolarHBondContact CD2-ND1 3.26Å; H260-H627 AromaticContact NE2-CG 3.71Å; I623-H627 PolarHBondContact O-N 2.88Å; H624-H627 PolarHBondContact O-N 2.84Å; H627-Q629 PolarHBondContact O-N 3.44Å; H627-N630 PolarHBondContact O-N 2.78Å; H627-G655 PolarHBondContact CE1-O 3.33Å; H627-G655 VanDerWaalsContact CE1-O 3.24Å; H627-D657 IonicContact CD2-OD2 2.73Å; H627-D657 IonicContact CE1-OD2 3.46Å; H627-D657 IonicContact NE2-OD1 3.4Å; H627-D657 IonicContact NE2-OD2 3.36Å; H627-D657 PolarHBondContact NE2-OD2 3.19Å
628L79.3Confident85.1Confident88 Ų8819.8 Ų19.846%0.46110%0.098SC..Hα-helixtrans-60.5-33.6170.7-73.3179.3000112.4H624 Q625 N630H624-L628 WeakPolarHBondContact O-CG 3.38Å; H624-L628 PolarHBondContact O-N 2.94Å; Q625-L628 PolarHBondContact O-N 3.17Å; L628-N630 PolarHBondContact O-N 2.92Å
629Q72.4Confident84.5Confident63 Ų6321 Ų2129%0.29411%0.105SC..THydrogen-bonded Turntrans-82.77.2174.3-66.417910.900113.6Q495 Q625 L626 H627 R631Q495-Q629 VanDerWaalsContact OE1-NE2 3.17Å; Q625-Q629 WeakPolarHBondContact O-CG 3.43Å; Q625-Q629 PolarHBondContact O-N 2.6Å; Q625-Q629 VanDerWaalsContact O-N 3.09Å; L626-Q629 CarbonylContact O-C 3.55Å; L626-Q629 WeakPolarHBondContact O-CA 3.42Å; L626-Q629 PolarHBondContact O-N 3.02Å; L626-Q629 VanDerWaalsContact O-N 3.14Å; H627-Q629 PolarHBondContact O-N 3.44Å; Q629-R631 HydrophobicContact CB-CG 4.02Å; Q629-R631 PolarHBondContact O-N 3.4Å
630N72.5Confident84.3Confident127 Ų12721.5 Ų21.568%0.67911%0.108SC*.THydrogen-bonded Turntrans5526.6-174.6-163.546000114.2L626 H627 L628L626-N630 PolarHBondContact O-N 3.05Å; H627-N630 PolarHBondContact O-N 2.78Å; L628-N630 PolarHBondContact O-N 2.92Å
631R74.9Confident84Confident27 Ų2722.6 Ų22.610%0.10211%0.113CC..  trans-89.4139.2174.2-57.1-172.2-167.9-135.81.5109.6L598 S601 L626 Q629L598-R631 PolarHBondContact O-NH1 3.12Å; L598-R631 PolarHBondContact O-NH2 3.19Å; S601-R631 WeakPolarHBondContact O-CA 3.39Å; L626-R631 HydrophobicContact CB-CB 4.36Å; L626-R631 HydrophobicContact CD2-CB 4.29Å; L626-R631 PolarHBondContact O-N 2.97Å; Q629-R631 HydrophobicContact CB-CG 4.02Å; Q629-R631 PolarHBondContact O-N 3.4Å
632Q79.9Confident84Confident10 Ų1021 Ų215%0.04711%0.105CC..EExtended strand (participates in β ladder)trans-78.7145176.2-48-62.2-60.900111F437 S601 S602 W603 D657 F658 I700F437-Q632 HydrophobicContact CE1-CG 4.08Å; S601-Q632 PolarHBondContact O-N 3.45Å; S602-Q632 CarbonylContact C-O 3.56Å; S602-Q632 WeakPolarHBondContact CA-O 3.34Å; S602-Q632 WeakPolarHBondContact CB-O 3.21Å; W603-Q632 PolarHBondContact N-O 3.41Å; Q632-D657 HydrophobicContact CB-CB 4.22Å; Q632-D657 PolarHBondContact OE1-OD1 3.43Å; Q632-F658 HydrophobicContact CB-CD2 4.44Å; Q632-F658 HydrophobicContact CB-CE2 4.33Å; Q632-F658 HydrophobicContact CG-CE2 4.45Å; Q632-I700 HydrophobicContact CG-CG2 3.59Å; Q632-I700 VanDerWaalsContact OE1-CG2 3.3Å
633V86.2Confident84.1Confident0 Ų025.2 Ų25.20%013%0.126CC..EExtended strand (participates in β ladder)trans-104.3131.4175.4-178.20000110.3W603 F605 I623 L626 I656 D657 F658W603-V633 HydrophobicContact CE3-CG1 4.05Å; W603-V633 HydrophobicContact CZ3-CG1 4.41Å; F605-V633 HydrophobicContact CD1-CG1 3.89Å; F605-V633 HydrophobicContact CE1-CG1 3.59Å; I623-V633 HydrophobicContact CG1-CG1 4.25Å; I623-V633 HydrophobicContact CG2-CG2 4.34Å; L626-V633 HydrophobicContact CB-CG2 4.03Å; L626-V633 HydrophobicContact CD1-CG2 4.05Å; V633-I656 HydrophobicContact CB-CG2 4.1Å; V633-I656 HydrophobicContact CG1-CG1 4.42Å; V633-I656 HydrophobicContact CG1-CG2 3.85Å; V633-I656 WeakPolarHBondContact O-CG2 3.44Å; V633-D657 PolarHBondContact N-OD2 2.9Å; V633-D657 PolarHBondContact O-N 3.07Å; V633-F658 PolarHBondContact O-N 3.01Å
634I90.6Very high84.3Confident3 Ų328.9 Ų28.92%0.01514%0.143CC..EExtended strand (participates in β ladder)trans-115.9108.4174.2-46.3-178.7000108.5I268 L412 T439 W603 L604 F605 F658 K660I268-I634 HydrophobicContact CD1-CD1 4.38Å; I268-I634 HydrophobicContact CD1-CG2 4.22Å; L412-I634 HydrophobicContact CD1-CD1 4.36Å; T439-I634 HydrophobicContact CG2-CD1 4.36Å; W603-I634 PolarHBondContact O-N 3.11Å; L604-I634 VanDerWaalsContact CA-O 3.32Å; L604-I634 WeakPolarHBondContact CA-O 3.44Å; L604-I634 HydrophobicContact CB-CB 4.12Å; L604-I634 HydrophobicContact CD1-CB 4.41Å; L604-I634 HydrophobicContact CD1-CG2 4.03Å; L604-I634 HydrophobicContact CG-CB 4.17Å; L604-I634 HydrophobicContact CG-CG2 4.16Å; F605-I634 PolarHBondContact N-O 3.33Å; I634-F658 CarbonylContact C-O 3.46Å; I634-F658 WeakPolarHBondContact CA-O 3.42Å; I634-F658 HydrophobicContact CB-CB 4.38Å; I634-F658 HydrophobicContact CG1-CB 4.13Å; I634-F658 HydrophobicContact CG1-CD2 4.4Å; I634-F658 HydrophobicContact CG2-CB 4.11Å; I634-K660 HydrophobicContact CG2-CB 4.19Å
635F94Very high84.6Confident0 Ų030.7 Ų30.70%015%0.153CC..EExtended strand (participates in β ladder)trans-85.3117.9170.3178-147.1000109.6F605 M607 L637 P647 M650 A651 I656 F658 I659 K660F605-F635 HydrophobicContact CD1-CB 4.44Å; F605-F635 AromaticContact CD2-CD2 3.93Å; F605-F635 HydrophobicContact CD2-CD2 3.93Å; F605-F635 HydrophobicContact CD2-CE2 4.41Å; F605-F635 HydrophobicContact CE1-CB 3.63Å; F605-F635 HydrophobicContact CE1-CD2 4.05Å; F605-F635 HydrophobicContact CE1-CG 4.13Å; F605-F635 HydrophobicContact CE2-CB 4.43Å; F605-F635 AromaticContact CE2-CD2 3.3Å; F605-F635 HydrophobicContact CE2-CD2 3.3Å; F605-F635 AromaticContact CE2-CE2 3.75Å; F605-F635 HydrophobicContact CE2-CE2 3.75Å; F605-F635 HydrophobicContact CE2-CG 4.04Å; F605-F635 HydrophobicContact CZ-CB 3.62Å; F605-F635 AromaticContact CZ-CD2 3.37Å; F605-F635 HydrophobicContact CZ-CD2 3.37Å; F605-F635 HydrophobicContact CZ-CE2 4.18Å; F605-F635 AromaticContact CZ-CG 3.6Å; F605-F635 HydrophobicContact CZ-CG 3.6Å; M607-F635 HydrophobicContact CG-CE2 3.99Å; M607-F635 HydrophobicContact CG-CZ 4.15Å; M607-F635 HydrophobicContact SD-CE2 4.37Å; F635-L637 HydrophobicContact CD1-CD2 3.79Å; F635-L637 HydrophobicContact CD2-CD2 4.49Å; F635-L637 HydrophobicContact CE1-CD2 3.37Å; F635-L637 HydrophobicContact CE2-CD2 4.12Å; F635-L637 HydrophobicContact CG-CD2 4.35Å; F635-L637 HydrophobicContact CZ-CD2 3.56Å; F635-P647 HydrophobicContact CE1-CB 3.94Å; F635-P647 HydrophobicContact CZ-CB 4.47Å; F635-M650 HydrophobicContact CD1-CE 4.01Å; F635-M650 HydrophobicContact CE1-CE 3.36Å; F635-M650 HydrophobicContact CE2-CE 4.18Å; F635-M650 HydrophobicContact CZ-CE 3.47Å; F635-M650 VanDerWaalsContact CZ-CE 3.47Å; F635-A651 HydrophobicContact CD1-CB 4.16Å; F635-I656 HydrophobicContact CB-CD1 3.89Å; F635-I656 HydrophobicContact CB-CG2 4.08Å; F635-I656 HydrophobicContact CG-CD1 4.46Å; F635-F658 PolarHBondContact N-O 3.34Å; F635-I659 HydrophobicContact CD1-CD1 4.1Å; F635-I659 HydrophobicContact CD1-CG1 4.39Å; F635-I659 CarbonylContact O-C 3.54Å; F635-I659 VanDerWaalsContact O-CA 3.31Å; F635-I659 WeakPolarHBondContact O-CA 3.39Å; F635-K660 PolarHBondContact O-N 3.31Å
636S92.7Very high85.3Confident1 Ų130.4 Ų30.41%0.00715%0.151CC..EExtended strand (participates in β ladder)trans-100132.7177-175.50000112.2F605 D638 K660F605-S636 PolarHBondContact O-N 2.8Å; S636-D638 PolarHBondContact O-N 3.06Å; S636-D638 PolarHBondContact OG-N 3.36Å; S636-D638 PolarHBondContact OG-OD2 3.45Å; S636-K660 WeakPolarHBondContact OG-CD 3.29Å
637L93.1Very high86.1Confident1 Ų130.1 Ų30.11%0.00515%0.15CC..  trans-88.518.8174.9-49.4-165.2000112.6F635 L640 P647 I659 K660 L661 T662 K672F635-L637 HydrophobicContact CD1-CD2 3.79Å; F635-L637 HydrophobicContact CD2-CD2 4.49Å; F635-L637 HydrophobicContact CE1-CD2 3.37Å; F635-L637 HydrophobicContact CE2-CD2 4.12Å; F635-L637 HydrophobicContact CG-CD2 4.35Å; F635-L637 HydrophobicContact CZ-CD2 3.56Å; L637-L640 HydrophobicContact CB-CB 4.37Å; L637-L640 HydrophobicContact CB-CD2 4.47Å; L637-L640 HydrophobicContact CD2-CD2 3.92Å; L637-L640 WeakPolarHBondContact O-CB 3.49Å; L637-L640 PolarHBondContact O-N 2.79Å; L637-P647 HydrophobicContact CD1-CB 4.24Å; L637-P647 HydrophobicContact CD2-CB 3.82Å; L637-I659 HydrophobicContact CD1-CD1 4.27Å; L637-I659 HydrophobicContact CD2-CD1 4.11Å; L637-I659 HydrophobicContact CD2-CG1 4.27Å; L637-I659 HydrophobicContact CG-CD1 4.33Å; L637-I659 HydrophobicContact CG-CG1 4.23Å; L637-K660 PolarHBondContact N-O 3.25Å; L637-L661 HydrophobicContact CD1-CD2 3.48Å; L637-L661 VanDerWaalsContact CD1-CD2 3.48Å; L637-L661 HydrophobicContact CG-CD2 4.19Å; L637-T662 WeakPolarHBondContact O-CG2 3.43Å; L637-K672 HydrophobicContact CD1-CD 3.56Å
638D86Confident86.8Confident4 Ų429.6 Ų29.62%0.02115%0.147CC..THydrogen-bonded Turntrans-56.8141.8171-72.8-19.1000109.9K290 T606 S636 L640 K660 T662K290-D638 IonicContact NZ-OD2 3.6Å; T606-D638 HydrophobicContact CG2-CB 4.1Å; S636-D638 PolarHBondContact O-N 3.06Å; S636-D638 PolarHBondContact OG-N 3.36Å; S636-D638 PolarHBondContact OG-OD2 3.45Å; D638-L640 PolarHBondContact O-N 2.92Å; D638-K660 IonicContact OD1-NZ 3.33Å; D638-K660 PolarHBondContact OD1-NZ 3.48Å; D638-K660 IonicContact OD2-NZ 3.54Å; D638-K660 PolarHBondContact OD2-NZ 3.02Å; D638-T662 WeakPolarHBondContact OD1-CG2 3.41Å
639N79.8Confident87.5Confident33 Ų3327.2 Ų27.218%0.17614%0.135CC..THydrogen-bonded Turntrans58.3-7.6-173.4-53.3-28.6000116.3N94 D608 Q641N94-N639 PolarHBondContact ND2-OD1 3.48Å; D608-N639 VanDerWaalsContact CG-ND2 3.32Å; D608-N639 WeakPolarHBondContact OD1-CB 3.46Å; D608-N639 PolarHBondContact OD1-ND2 2.9Å; D608-N639 PolarHBondContact OD2-ND2 3.4Å; D608-N639 VanDerWaalsContact OD2-ND2 3.11Å; N639-Q641 PolarHBondContact O-N 2.78Å
640L87.9Confident88.6Confident12 Ų1224.2 Ų24.26%0.06312%0.121CC..  trans-77.8112.1-178.9-168.265.4000111.3W209 L637 D638 V642 W646 P647 R666W209-L640 HydrophobicContact CH2-CD1 3.5Å; W209-L640 VanDerWaalsContact CH2-CD1 3.5Å; W209-L640 HydrophobicContact CZ2-CD1 4.11Å; W209-L640 HydrophobicContact CZ3-CD1 4.47Å; L637-L640 HydrophobicContact CB-CB 4.37Å; L637-L640 HydrophobicContact CB-CD2 4.47Å; L637-L640 HydrophobicContact CD2-CD2 3.92Å; L637-L640 WeakPolarHBondContact O-CB 3.49Å; L637-L640 PolarHBondContact O-N 2.79Å; D638-L640 PolarHBondContact O-N 2.92Å; L640-V642 HydrophobicContact CD1-CG1 3.84Å; L640-V642 HydrophobicContact CD1-CG2 4.42Å; L640-V642 HydrophobicContact CD2-CG2 4.04Å; L640-V642 HydrophobicContact CG-CG1 4.19Å; L640-V642 HydrophobicContact CG-CG2 3.95Å; L640-W646 HydrophobicContact CD1-CH2 4.38Å; L640-W646 HydrophobicContact CD1-CZ2 4.27Å; L640-W646 HydrophobicContact CD2-CH2 4.15Å; L640-W646 HydrophobicContact CD2-CZ2 4.37Å; L640-P647 HydrophobicContact CD2-CB 3.98Å; L640-P647 HydrophobicContact CD2-CG 3.63Å; L640-R666 PolarHBondContact O-NH2 3.26Å; L640-R666 VanDerWaalsContact O-NH2 3.08Å
641Q85.5Confident89.7Confident22 Ų2218.1 Ų18.110%0.1039%0.089CC..  trans-107.637-175-62.3-177.14.200113.2S62 C63 T64 T66 N88 N639S62-Q641 PolarHBondContact OG-OE1 2.89Å; C63-Q641 PolarHBondContact SG-O 3.42Å; C63-Q641 VanDerWaalsContact SG-O 3.37Å; T64-Q641 HydrophobicContact CG2-CG 4.32Å; T64-Q641 PolarHBondContact OG1-NE2 2.94Å; T64-Q641 PolarHBondContact OG1-OE1 2.73Å; T66-Q641 PolarHBondContact OG1-NE2 3.3Å; T66-Q641 PolarHBondContact OG1-OE1 3.22Å; N88-Q641 PolarHBondContact ND2-O 3.45Å; N639-Q641 PolarHBondContact O-N 2.78Å
642V88.7Confident90.6Very high0 Ų017.3 Ų17.30%09%0.086CC..  trans-89.4143.9179.2-54.40000111.7L640 W646 P647 K672L640-V642 HydrophobicContact CD1-CG1 3.84Å; L640-V642 HydrophobicContact CD1-CG2 4.42Å; L640-V642 HydrophobicContact CD2-CG2 4.04Å; L640-V642 HydrophobicContact CG-CG1 4.19Å; L640-V642 HydrophobicContact CG-CG2 3.95Å; V642-W646 HydrophobicContact CG1-CZ2 4.07Å; V642-W646 HydrophobicContact CG2-CZ2 4.21Å; V642-P647 HydrophobicContact CG2-CG 3.65Å; V642-K672 PolarHBondContact O-NZ 2.99Å
643M88Confident91.2Very high87 Ų8716.9 Ų16.943%0.4298%0.084SC..  trans-86-25.7176.1-76.3-63.8-58.600112.1C63 D668C63-M643 HydrophobicContact CB-CG 3.9Å; C63-M643 HydrophobicContact CB-SD 3.55Å; C63-M643 VanDerWaalsContact CB-SD 3.55Å; M643-D668 HydrophobicContact CE-CB 4.5Å; M643-D668 HydrophobicContact SD-CB 3.75Å
644E90.9Very high91.5Very high77 Ų7716.9 Ų16.936%0.368%0.084SC..SBendtrans-71.4151.8-177-62.480.5177.700112.5W646 P647 K672E644-W646 HydrophobicContact CB-CG 4.49Å; E644-P647 VanDerWaalsContact O-CD 3.28Å; E644-P647 WeakPolarHBondContact O-CD 3.34Å; E644-K672 WeakPolarHBondContact O-CE 3.25Å
645D93Very high91.5Very high52 Ų5216.9 Ų16.928%0.2789%0.085SC..SBendtrans-86-1.6179.8-60.4-79.8000114.3P647 I648 D649 T675D645-P647 WeakPolarHBondContact O-CD 3.27Å; D645-I648 VanDerWaalsContact O-CB 3.31Å; D645-I648 WeakPolarHBondContact O-CB 3.37Å; D645-I648 PolarHBondContact O-N 3.35Å; D645-D649 PolarHBondContact O-N 3.47Å; D645-T675 HydrophobicContact CB-CG2 3.76Å; D645-T675 VanDerWaalsContact OD1-CB 3.31Å; D645-T675 WeakPolarHBondContact OD1-CB 3.19Å; D645-T675 PolarHBondContact OD1-OG1 3.45Å
646W94.4Very high91.4Very high12 Ų1216.9 Ų16.95%0.0459%0.085CC..Hα-helixtrans-50.4-29.2179.374.4-107.5000115.2W209 M212 L216 F228 L640 V642 E644 I648 D649 M650W209-W646 HydrophobicContact CH2-CH2 4.21Å; W209-W646 HydrophobicContact CH2-CZ2 4.16Å; W209-W646 HydrophobicContact CZ3-CH2 4.01Å; W209-W646 AromaticContact CZ3-CZ2 3.76Å; W209-W646 HydrophobicContact CZ3-CZ2 3.76Å; M212-W646 HydrophobicContact CE-CE3 3.99Å; M212-W646 HydrophobicContact CE-CH2 3.54Å; M212-W646 HydrophobicContact CE-CZ2 4.41Å; M212-W646 HydrophobicContact CE-CZ3 3.28Å; M212-W646 HydrophobicContact CG-CH2 4.46Å; M212-W646 HydrophobicContact CG-CZ2 4.48Å; M212-W646 HydrophobicContact SD-CD2 4.35Å; M212-W646 HydrophobicContact SD-CE3 3.83Å; M212-W646 HydrophobicContact SD-CH2 4.15Å; M212-W646 HydrophobicContact SD-CZ3 3.75Å; L216-W646 HydrophobicContact CD1-CG 4.28Å; L216-W646 HydrophobicContact CD2-CB 3.94Å; L216-W646 HydrophobicContact CD2-CG 4.25Å; F228-W646 HydrophobicContact CD1-CB 3.75Å; F228-W646 HydrophobicContact CE1-CB 4.07Å; F228-W646 HydrophobicContact CE1-CE3 4.07Å; L640-W646 HydrophobicContact CD1-CH2 4.38Å; L640-W646 HydrophobicContact CD1-CZ2 4.27Å; L640-W646 HydrophobicContact CD2-CH2 4.15Å; L640-W646 HydrophobicContact CD2-CZ2 4.37Å; V642-W646 HydrophobicContact CG1-CZ2 4.07Å; V642-W646 HydrophobicContact CG2-CZ2 4.21Å; E644-W646 HydrophobicContact CB-CG 4.49Å; W646-I648 VanDerWaalsContact C-N 3.27Å; W646-I648 PolarHBondContact O-N 2.9Å; W646-D649 PolarHBondContact O-N 2.91Å; W646-M650 HydrophobicContact CE3-CB 4.42Å; W646-M650 HydrophobicContact CZ3-CE 4.03Å; W646-M650 HydrophobicContact CZ3-SD 4.15Å; W646-M650 VanDerWaalsContact O-CB 3.32Å; W646-M650 WeakPolarHBondContact O-CB 3.46Å; W646-M650 PolarHBondContact O-N 3.01Å
647P96Very high91.2Very high0 Ų017.2 Ų17.20%09%0.087CC..Hα-helixtrans-65.5-30.4175.8-21.434.3000113F635 L637 L640 V642 E644 D645 A651F635-P647 HydrophobicContact CE1-CB 3.94Å; F635-P647 HydrophobicContact CZ-CB 4.47Å; L637-P647 HydrophobicContact CD1-CB 4.24Å; L637-P647 HydrophobicContact CD2-CB 3.82Å; L640-P647 HydrophobicContact CD2-CB 3.98Å; L640-P647 HydrophobicContact CD2-CG 3.63Å; V642-P647 HydrophobicContact CG2-CG 3.65Å; E644-P647 VanDerWaalsContact O-CD 3.28Å; E644-P647 WeakPolarHBondContact O-CD 3.34Å; D645-P647 WeakPolarHBondContact O-CD 3.27Å; P647-A651 WeakPolarHBondContact O-CB 3.07Å; P647-A651 PolarHBondContact O-N 3.5Å
648I96.2Very high91.2Very high2 Ų217.3 Ų17.31%0.019%0.087CC..Hα-helixtrans-70.7-51.7173.1-58.7-56.2000109.4D645 W646 M650 A651 I652 I659 L661 K672 W676D645-I648 VanDerWaalsContact O-CB 3.31Å; D645-I648 WeakPolarHBondContact O-CB 3.37Å; D645-I648 PolarHBondContact O-N 3.35Å; W646-I648 VanDerWaalsContact C-N 3.27Å; W646-I648 PolarHBondContact O-N 2.9Å; I648-M650 VanDerWaalsContact C-N 3.26Å; I648-M650 PolarHBondContact O-N 2.61Å; I648-A651 PolarHBondContact O-N 2.87Å; I648-A651 VanDerWaalsContact O-N 3.14Å; I648-I652 HydrophobicContact CG2-CD1 3.61Å; I648-I652 HydrophobicContact CG2-CG1 4.42Å; I648-I652 VanDerWaalsContact O-CG1 3.31Å; I648-I652 WeakPolarHBondContact O-CG1 3.35Å; I648-I652 PolarHBondContact O-N 2.69Å; I648-I659 HydrophobicContact CD1-CD1 3.6Å; I648-L661 HydrophobicContact CD1-CD2 4.1Å; I648-K672 HydrophobicContact CD1-CB 3.81Å; I648-K672 HydrophobicContact CD1-CG 4.42Å; I648-K672 HydrophobicContact CG1-CB 3.76Å; I648-K672 HydrophobicContact CG1-CG 4.04Å; I648-K672 WeakPolarHBondContact CG1-O 3.47Å; I648-W676 HydrophobicContact CD1-CB 4.49Å; I648-W676 HydrophobicContact CG2-CB 3.94Å
649D94.9Very high91.6Very high38 Ų3817.2 Ų17.220%0.2039%0.086CC..Hα-helixtrans-56.8-41.6179.1-72.5-11.2000111.8F228 Q229 D645 W646 G653F228-D649 HydrophobicContact CB-CB 3.81Å; F228-D649 HydrophobicContact CD1-CB 4.23Å; Q229-D649 WeakPolarHBondContact CA-O 3.27Å; Q229-D649 HydrophobicContact CB-CB 3.97Å; Q229-D649 WeakPolarHBondContact CB-O 3.33Å; D645-D649 PolarHBondContact O-N 3.47Å; W646-D649 PolarHBondContact O-N 2.91Å; D649-G653 WeakPolarHBondContact O-CA 3.4Å; D649-G653 PolarHBondContact O-N 3.47Å
650M95.8Very high92.4Very high0 Ų015.6 Ų15.60%08%0.078CC..Hα-helixtrans-64.4-47.9176.1-176.6179.476.700111.5M212 F228 M232 M607 I616 L619 F635 W646 I648 I652 G653 L654M212-M650 HydrophobicContact CE-CE 4.48Å; M212-M650 HydrophobicContact CE-SD 3.81Å; F228-M650 HydrophobicContact CD1-CB 4.31Å; F228-M650 HydrophobicContact CE1-CB 4.09Å; M232-M650 HydrophobicContact CE-CB 4.45Å; M232-M650 HydrophobicContact CE-CG 3.8Å; M232-M650 HydrophobicContact CE-SD 3.91Å; M232-M650 HydrophobicContact CG-CB 4.38Å; M232-M650 HydrophobicContact CG-CG 4.17Å; M232-M650 HydrophobicContact SD-CG 4.01Å; M607-M650 HydrophobicContact SD-CE 4.48Å; I616-M650 HydrophobicContact CD1-SD 4.5Å; L619-M650 HydrophobicContact CD2-CE 4.37Å; L619-M650 HydrophobicContact CD2-SD 4.44Å; F635-M650 HydrophobicContact CD1-CE 4.01Å; F635-M650 HydrophobicContact CE1-CE 3.36Å; F635-M650 HydrophobicContact CE2-CE 4.18Å; F635-M650 HydrophobicContact CZ-CE 3.47Å; F635-M650 VanDerWaalsContact CZ-CE 3.47Å; W646-M650 HydrophobicContact CE3-CB 4.42Å; W646-M650 HydrophobicContact CZ3-CE 4.03Å; W646-M650 HydrophobicContact CZ3-SD 4.15Å; W646-M650 VanDerWaalsContact O-CB 3.32Å; W646-M650 WeakPolarHBondContact O-CB 3.46Å; W646-M650 PolarHBondContact O-N 3.01Å; I648-M650 VanDerWaalsContact C-N 3.26Å; I648-M650 PolarHBondContact O-N 2.61Å; M650-I652 VanDerWaalsContact C-N 3.31Å; M650-I652 PolarHBondContact O-N 3.1Å; M650-G653 PolarHBondContact O-N 2.86Å; M650-L654 HydrophobicContact CG-CD1 3.69Å; M650-L654 HydrophobicContact CG-CG 4.13Å; M650-L654 VanDerWaalsContact O-CB 3.31Å; M650-L654 WeakPolarHBondContact O-CB 3.25Å; M650-L654 VanDerWaalsContact O-CG 3.25Å; M650-L654 WeakPolarHBondContact O-CG 3.45Å; M650-L654 PolarHBondContact O-N 3.03Å; M650-L654 HydrophobicContact SD-CD1 4.38Å
651A95.4Very high92.8Very high0 Ų015 Ų150%08%0.075CC..Hα-helixtrans-61.4-42.3-178.600000112.2T265 F635 P647 I648 G655 I656 I659T265-A651 HydrophobicContact CG2-CB 3.82Å; T265-A651 PolarHBondContact OG1-O 3.16Å; F635-A651 HydrophobicContact CD1-CB 4.16Å; P647-A651 WeakPolarHBondContact O-CB 3.07Å; P647-A651 PolarHBondContact O-N 3.5Å; I648-A651 PolarHBondContact O-N 2.87Å; I648-A651 VanDerWaalsContact O-N 3.14Å; A651-G655 PolarHBondContact O-N 3.12Å; A651-I656 HydrophobicContact CB-CB 4.23Å; A651-I656 HydrophobicContact CB-CD1 4.24Å; A651-I656 WeakPolarHBondContact O-CB 3.41Å; A651-I656 PolarHBondContact O-N 2.94Å; A651-I659 HydrophobicContact CB-CD1 3.84Å
652I93.3Very high93.1Very high10 Ų1014 Ų145%0.0517%0.07CC..Hα-helixtrans-69.6-44.3176.8-62.4172.9000110.8Q229 T265 I648 M650 L654 G655 Y679 Y680Q229-I652 HydrophobicContact CG-CB 3.99Å; Q229-I652 HydrophobicContact CG-CG2 3.62Å; T265-I652 WeakPolarHBondContact OG1-CA 3.4Å; I648-I652 HydrophobicContact CG2-CD1 3.61Å; I648-I652 HydrophobicContact CG2-CG1 4.42Å; I648-I652 VanDerWaalsContact O-CG1 3.31Å; I648-I652 WeakPolarHBondContact O-CG1 3.35Å; I648-I652 PolarHBondContact O-N 2.69Å; M650-I652 VanDerWaalsContact C-N 3.31Å; M650-I652 PolarHBondContact O-N 3.1Å; I652-L654 VanDerWaalsContact C-N 3.27Å; I652-L654 PolarHBondContact O-N 3.35Å; I652-G655 PolarHBondContact O-N 3.29Å; I652-G655 VanDerWaalsContact O-N 3.15Å; I652-Y679 HydrophobicContact CD1-CD1 3.63Å; I652-Y679 HydrophobicContact CD1-CE1 4.03Å; I652-Y679 HydrophobicContact CD1-CG 4.06Å; I652-Y679 HydrophobicContact CG2-CD1 4.14Å; I652-Y679 HydrophobicContact CG2-CE1 3.41Å; I652-Y679 VanDerWaalsContact CG2-CE1 3.41Å; I652-Y679 HydrophobicContact CG2-CE2 4.4Å; I652-Y680 HydrophobicContact CD1-CE2 3.74Å; I652-Y680 HydrophobicContact CG1-CE2 4.05Å
653G92.2Very high93.3Very high0 Ų014.1 Ų14.10%07%0.071CC..Hα-helixtrans-67.4-24.3-179.500000114.1Q229 M232 K233 F261 D649 M650Q229-G653 WeakPolarHBondContact O-CA 3.4Å; M232-G653 CarbonylContact C-O 3.46Å; K233-G653 VanDerWaalsContact CA-O 3.25Å; K233-G653 WeakPolarHBondContact CA-O 3.5Å; K233-G653 PolarHBondContact N-O 3.47Å; F261-G653 VanDerWaalsContact CE1-O 3.31Å; F261-G653 WeakPolarHBondContact CE1-O 3.39Å; D649-G653 WeakPolarHBondContact O-CA 3.4Å; D649-G653 PolarHBondContact O-N 3.47Å; M650-G653 PolarHBondContact O-N 2.86Å
654L93.2Very high93.5Very high1 Ų110.5 Ų10.51%0.0055%0.054CC..THydrogen-bonded Turntrans-97.12.5174.2-61.2-173.7000113.5M232 Y236 I620 I623 M650 I652 I656M232-L654 HydrophobicContact CB-CD2 3.89Å; M232-L654 HydrophobicContact CB-CG 4.19Å; M232-L654 HydrophobicContact CG-CD2 4.42Å; M232-L654 HydrophobicContact SD-CD1 4.16Å; M232-L654 HydrophobicContact SD-CD2 3.83Å; M232-L654 HydrophobicContact SD-CG 4.07Å; Y236-L654 HydrophobicContact CD2-CD2 4.22Å; I620-L654 HydrophobicContact CD1-CD2 3.9Å; I620-L654 HydrophobicContact CG1-CD1 4.2Å; I620-L654 HydrophobicContact CG1-CD2 3.59Å; I623-L654 HydrophobicContact CD1-CB 4.15Å; I623-L654 HydrophobicContact CD1-CD1 3.8Å; M650-L654 HydrophobicContact CG-CD1 3.69Å; M650-L654 HydrophobicContact CG-CG 4.13Å; M650-L654 VanDerWaalsContact O-CB 3.31Å; M650-L654 WeakPolarHBondContact O-CB 3.25Å; M650-L654 VanDerWaalsContact O-CG 3.25Å; M650-L654 WeakPolarHBondContact O-CG 3.45Å; M650-L654 PolarHBondContact O-N 3.03Å; M650-L654 HydrophobicContact SD-CD1 4.38Å; I652-L654 VanDerWaalsContact C-N 3.27Å; I652-L654 PolarHBondContact O-N 3.35Å; L654-I656 VanDerWaalsContact C-N 3.28Å; L654-I656 HydrophobicContact CB-CD1 4.39Å; L654-I656 HydrophobicContact CB-CG1 4.03Å; L654-I656 PolarHBondContact O-N 3.09Å
655G90.4Very high93.5Very high3 Ų39.6 Ų9.63%0.0315%0.051CC..THydrogen-bonded Turntrans64.928.1179.300000114.2H627 A651 I652H627-G655 PolarHBondContact CE1-O 3.33Å; H627-G655 VanDerWaalsContact CE1-O 3.24Å; A651-G655 PolarHBondContact O-N 3.12Å; I652-G655 PolarHBondContact O-N 3.29Å; I652-G655 VanDerWaalsContact O-N 3.15Å
656I91.8Very high93.3Very high0 Ų08.5 Ų8.50%04%0.043CC..  trans-64.7132.4-179.9-61-173.2000109.5T265 F605 I623 V633 F635 A651 L654 F658T265-I656 VanDerWaalsContact CA-O 3.24Å; T265-I656 WeakPolarHBondContact CA-O 3.47Å; T265-I656 VanDerWaalsContact CB-O 3.23Å; T265-I656 WeakPolarHBondContact CB-O 3.24Å; T265-I656 WeakPolarHBondContact CG2-O 3.49Å; T265-I656 PolarHBondContact OG1-O 3.23Å; F605-I656 HydrophobicContact CE1-CD1 3.93Å; F605-I656 HydrophobicContact CZ-CD1 3.81Å; I623-I656 HydrophobicContact CD1-CD1 3.85Å; I623-I656 HydrophobicContact CD1-CG1 4.01Å; V633-I656 HydrophobicContact CB-CG2 4.1Å; V633-I656 HydrophobicContact CG1-CG1 4.42Å; V633-I656 HydrophobicContact CG1-CG2 3.85Å; V633-I656 WeakPolarHBondContact O-CG2 3.44Å; F635-I656 HydrophobicContact CB-CD1 3.89Å; F635-I656 HydrophobicContact CB-CG2 4.08Å; F635-I656 HydrophobicContact CG-CD1 4.46Å; A651-I656 HydrophobicContact CB-CB 4.23Å; A651-I656 HydrophobicContact CB-CD1 4.24Å; A651-I656 WeakPolarHBondContact O-CB 3.41Å; A651-I656 PolarHBondContact O-N 2.94Å; L654-I656 VanDerWaalsContact C-N 3.28Å; L654-I656 HydrophobicContact CB-CD1 4.39Å; L654-I656 HydrophobicContact CB-CG1 4.03Å; L654-I656 PolarHBondContact O-N 3.09Å; I656-F658 VanDerWaalsContact CG2-O 3.24Å; I656-F658 WeakPolarHBondContact CG2-O 3.29Å
657D88.5Confident93.1Very high7 Ų713.6 Ų13.64%0.0377%0.07CC..SBendtrans-72.2-36.9-172-44.8-90.4000112.2K263 C266 H627 Q632 V633K263-D657 WeakPolarHBondContact CD-OD1 3.33Å; K263-D657 IonicContact NZ-OD1 3.44Å; K263-D657 PolarHBondContact NZ-OD1 2.83Å; C266-D657 WeakPolarHBondContact CB-O 3.25Å; C266-D657 PolarHBondContact N-O 2.88Å; H627-D657 IonicContact CD2-OD2 2.73Å; H627-D657 IonicContact CE1-OD2 3.46Å; H627-D657 IonicContact NE2-OD1 3.4Å; H627-D657 IonicContact NE2-OD2 3.36Å; H627-D657 PolarHBondContact NE2-OD2 3.19Å; Q632-D657 HydrophobicContact CB-CB 4.22Å; Q632-D657 PolarHBondContact OE1-OD1 3.43Å; V633-D657 PolarHBondContact N-OD2 2.9Å; V633-D657 PolarHBondContact O-N 3.07Å
658F92.8Very high92.9Very high4 Ų413.8 Ų13.82%0.0187%0.071CC..EExtended strand (participates in β ladder)trans-135.8146.4177.5-61.8-89.1000113.8C266 I268 I295 F437 Q632 V633 I634 F635 I656 Y696C266-F658 HydrophobicContact CB-CD1 3.58Å; C266-F658 HydrophobicContact CB-CE1 3.76Å; C266-F658 HydrophobicContact CB-CG 4.42Å; C266-F658 CarbonylContact O-C 3.57Å; C266-F658 WeakPolarHBondContact O-CA 3.45Å; I268-F658 HydrophobicContact CD1-CB 3.77Å; I268-F658 HydrophobicContact CD1-CD1 3.76Å; I268-F658 HydrophobicContact CD1-CG 3.89Å; I268-F658 HydrophobicContact CG1-CB 4.15Å; I268-F658 HydrophobicContact CG1-CD1 3.79Å; I268-F658 HydrophobicContact CG1-CG 4.3Å; I295-F658 HydrophobicContact CG2-CE1 4.35Å; F437-F658 HydrophobicContact CE2-CE2 4.42Å; F437-F658 HydrophobicContact CE2-CZ 4.21Å; F437-F658 HydrophobicContact CZ-CE2 4.3Å; F437-F658 HydrophobicContact CZ-CZ 4.31Å; Q632-F658 HydrophobicContact CB-CD2 4.44Å; Q632-F658 HydrophobicContact CB-CE2 4.33Å; Q632-F658 HydrophobicContact CG-CE2 4.45Å; V633-F658 PolarHBondContact O-N 3.01Å; I634-F658 CarbonylContact C-O 3.46Å; I634-F658 WeakPolarHBondContact CA-O 3.42Å; I634-F658 HydrophobicContact CB-CB 4.38Å; I634-F658 HydrophobicContact CG1-CB 4.13Å; I634-F658 HydrophobicContact CG1-CD2 4.4Å; I634-F658 HydrophobicContact CG2-CB 4.11Å; F635-F658 PolarHBondContact N-O 3.34Å; I656-F658 VanDerWaalsContact CG2-O 3.24Å; I656-F658 WeakPolarHBondContact CG2-O 3.29Å; F658-Y696 HydrophobicContact CE1-CD1 4.07Å; F658-Y696 HydrophobicContact CE1-CE1 4.07Å; F658-Y696 HydrophobicContact CZ-CD1 4.24Å; F658-Y696 HydrophobicContact CZ-CE1 4.44Å; F658-Y696 HydrophobicContact CZ-CG 4.29Å
659I95.7Very high92.8Very high1 Ų113.7 Ų13.71%0.0057%0.07CC..EExtended strand (participates in β ladder)trans-121116.1170.7-172.4162.9000110.6T265 C266 P267 I268 F635 L637 I648 A651 L661T265-I659 HydrophobicContact CG2-CB 3.91Å; T265-I659 HydrophobicContact CG2-CG2 3.81Å; C266-I659 PolarHBondContact O-N 2.89Å; P267-I659 CarbonylContact C-O 3.49Å; P267-I659 WeakPolarHBondContact CA-O 3.33Å; P267-I659 HydrophobicContact CB-CG2 4.13Å; I268-I659 PolarHBondContact N-O 3.38Å; F635-I659 HydrophobicContact CD1-CD1 4.1Å; F635-I659 HydrophobicContact CD1-CG1 4.39Å; F635-I659 CarbonylContact O-C 3.54Å; F635-I659 VanDerWaalsContact O-CA 3.31Å; F635-I659 WeakPolarHBondContact O-CA 3.39Å; L637-I659 HydrophobicContact CD1-CD1 4.27Å; L637-I659 HydrophobicContact CD2-CD1 4.11Å; L637-I659 HydrophobicContact CD2-CG1 4.27Å; L637-I659 HydrophobicContact CG-CD1 4.33Å; L637-I659 HydrophobicContact CG-CG1 4.23Å; I648-I659 HydrophobicContact CD1-CD1 3.6Å; A651-I659 HydrophobicContact CB-CD1 3.84Å; I659-L661 HydrophobicContact CD1-CD2 4.35Å; I659-L661 HydrophobicContact CG1-CD2 4.12Å; I659-L661 PolarHBondContact O-N 3.42Å
660K95.6Very high92.8Very high0 Ų012.7 Ų12.70%07%0.065CC..EExtended strand (participates in β ladder)trans-84.1100.9176.3173.5177.4178.8-80.40109.6I268 T270 E291 L293 L604 I634 F635 S636 L637 D638I268-K660 HydrophobicContact CB-CB 4.38Å; I268-K660 CarbonylContact O-C 3.6Å; I268-K660 WeakPolarHBondContact O-CA 3.48Å; T270-K660 WeakPolarHBondContact OG1-CE 3.3Å; E291-K660 IonicContact OE1-NZ 3.88Å; E291-K660 PolarHBondContact OE1-NZ 3.18Å; E291-K660 WeakPolarHBondContact OE2-CE 3.03Å; E291-K660 IonicContact OE2-NZ 2.8Å; E291-K660 PolarHBondContact OE2-NZ 3.45Å; L293-K660 HydrophobicContact CD1-CD 4.08Å; L293-K660 HydrophobicContact CD2-CD 4.42Å; L604-K660 HydrophobicContact CD1-CD 4.21Å; I634-K660 HydrophobicContact CG2-CB 4.19Å; F635-K660 PolarHBondContact O-N 3.31Å; S636-K660 WeakPolarHBondContact OG-CD 3.29Å; L637-K660 PolarHBondContact N-O 3.25Å; D638-K660 IonicContact OD1-NZ 3.33Å; D638-K660 PolarHBondContact OD1-NZ 3.48Å; D638-K660 IonicContact OD2-NZ 3.54Å; D638-K660 PolarHBondContact OD2-NZ 3.02Å
661L96.5Very high92.7Very high0 Ų015.5 Ų15.50%08%0.08CC..EExtended strand (participates in β ladder)trans-79.9141.4170.5-56.6-175.9000110P267 I268 I269 T270 L637 I648 I659 K672 L673P267-L661 HydrophobicContact CB-CD1 4.27Å; I268-L661 PolarHBondContact O-N 2.7Å; I269-L661 HydrophobicContact CD1-CB 3.99Å; I269-L661 HydrophobicContact CD1-CD1 3.82Å; I269-L661 HydrophobicContact CD1-CG 4.21Å; T270-L661 PolarHBondContact N-O 3.46Å; L637-L661 HydrophobicContact CD1-CD2 3.48Å; L637-L661 VanDerWaalsContact CD1-CD2 3.48Å; L637-L661 HydrophobicContact CG-CD2 4.19Å; I648-L661 HydrophobicContact CD1-CD2 4.1Å; I659-L661 HydrophobicContact CD1-CD2 4.35Å; I659-L661 HydrophobicContact CG1-CD2 4.12Å; I659-L661 PolarHBondContact O-N 3.42Å; L661-K672 HydrophobicContact CD2-CB 4.39Å; L661-L673 HydrophobicContact CD1-CB 3.74Å; L661-L673 HydrophobicContact CD1-CD1 3.97Å; L661-L673 HydrophobicContact CD1-CG 4.38Å
662T93Very high92.8Very high1 Ų115.5 Ų15.51%0.0068%0.08CC..  trans-80.2-175.1175.378.80000110.5N334 L637 D638 L664 Q669N334-T662 HydrophobicContact CB-CG2 4.38Å; N334-T662 WeakPolarHBondContact O-CB 3.38Å; N334-T662 PolarHBondContact O-OG1 2.91Å; L637-T662 WeakPolarHBondContact O-CG2 3.43Å; D638-T662 WeakPolarHBondContact OD1-CG2 3.41Å; T662-L664 PolarHBondContact O-N 3.29Å; T662-Q669 VanDerWaalsContact OG1-CD 3.28Å; T662-Q669 VanDerWaalsContact OG1-CG 3.28Å; T662-Q669 WeakPolarHBondContact OG1-CG 3.25Å; T662-Q669 PolarHBondContact OG1-OE1 3.48Å
663G92Very high92.9Very high1 Ų115 Ų151%0.018%0.077CC..  trans-64.4128.8-168.700000114.9T270 N334 G335 N665 R666T270-G663 WeakPolarHBondContact O-CA 3.27Å; N334-G663 PolarHBondContact O-N 3.4Å; G335-G663 VanDerWaalsContact C-CA 3.46Å; G335-G663 CarbonylContact C-O 3.14Å; G335-G663 WeakPolarHBondContact CA-O 3.1Å; G335-G663 CarbonylContact O-C 3.56Å; G663-N665 PolarHBondContact O-N 3.39Å; G663-R666 PolarHBondContact O-N 3.16Å; G663-R666 VanDerWaalsContact O-N 3.16Å
664L92.7Very high93.1Very high12 Ų1217.6 Ų17.66%0.0639%0.09CC..THydrogen-bonded Turntrans-7512.9-168.7-57.5177.3000115.2I269 I309 K313 T662 R666 Q669 M670 L673I269-L664 HydrophobicContact CD1-CD1 4.37Å; I269-L664 HydrophobicContact CG2-CD1 3.61Å; I269-L664 HydrophobicContact CG2-CG 3.8Å; I309-L664 HydrophobicContact CG2-CD1 3.25Å; K313-L664 HydrophobicContact CD-CB 4.42Å; K313-L664 VanDerWaalsContact CE-O 3.28Å; K313-L664 WeakPolarHBondContact CE-O 3.21Å; K313-L664 PolarHBondContact NZ-O 3.22Å; T662-L664 PolarHBondContact O-N 3.29Å; L664-R666 VanDerWaalsContact C-N 3.31Å; L664-Q669 HydrophobicContact CD2-CB 4.18Å; L664-M670 HydrophobicContact CB-CE 3.85Å; L664-M670 HydrophobicContact CD1-CE 4.4Å; L664-L673 HydrophobicContact CD1-CD2 3.76Å; L664-L673 HydrophobicContact CD2-CD2 4.32Å
665N90.3Very high93.2Very high57 Ų5719.2 Ų19.231%0.30510%0.101SC..THydrogen-bonded Turntrans-77.2-22.4164-58.7-50.4000111.6I331 G335 G663I331-N665 HydrophobicContact CD1-CB 4.07Å; I331-N665 HydrophobicContact CG2-CB 4.1Å; G335-N665 VanDerWaalsContact O-CB 3.28Å; G335-N665 WeakPolarHBondContact O-CB 3.49Å; G335-N665 PolarHBondContact O-N 2.94Å; G335-N665 PolarHBondContact O-ND2 3.22Å; G663-N665 PolarHBondContact O-N 3.39Å
666R89Confident93.5Very high30 Ų3019.1 Ų19.111%0.11310%0.099CC..SBendtrans-71.2126.8167.5-95.7178.963.9179.8-12.2110.6D333 L640 G663 L664 D668 Q669 M670D333-R666 WeakPolarHBondContact O-CD 3.35Å; D333-R666 PolarHBondContact O-NH1 3.48Å; L640-R666 PolarHBondContact O-NH2 3.26Å; L640-R666 VanDerWaalsContact O-NH2 3.08Å; G663-R666 PolarHBondContact O-N 3.16Å; G663-R666 VanDerWaalsContact O-N 3.16Å; L664-R666 VanDerWaalsContact C-N 3.31Å; R666-D668 VanDerWaalsContact C-N 3.33Å; R666-D668 WeakPolarHBondContact CB-OD1 3.27Å; R666-D668 IonicContact CZ-OD1 3.92Å; R666-D668 IonicContact CZ-OD2 2.72Å; R666-D668 IonicContact NE-OD1 2.86Å; R666-D668 PolarHBondContact NE-OD1 3.44Å; R666-D668 IonicContact NE-OD2 2.61Å; R666-D668 IonicContact NH2-OD1 2.65Å; R666-D668 PolarHBondContact NH2-OD1 3.42Å; R666-D668 IonicContact NH2-OD2 3.28Å; R666-D668 PolarHBondContact NH2-OD2 3.05Å; R666-D668 PolarHBondContact O-N 3.1Å; R666-Q669 HydrophobicContact CB-CB 4.23Å; R666-Q669 HydrophobicContact CB-CG 3.87Å; R666-Q669 PolarHBondContact O-N 2.85Å; R666-M670 PolarHBondContact O-N 3.49Å; R666-M670 VanDerWaalsContact O-N 3.13Å
667I90.6Very high93.6Very high119 Ų11921 Ų2161%0.6111%0.107SC*.Hα-helixtrans-66.9-35-177.4-166.5166.4000112Q669 M670 N671I667-Q669 VanDerWaalsContact C-N 3.29Å; I667-Q669 PolarHBondContact O-N 2.89Å; I667-M670 PolarHBondContact O-N 3.48Å; I667-N671 WeakPolarHBondContact O-CB 3.39Å; I667-N671 VanDerWaalsContact O-CG 3.27Å; I667-N671 PolarHBondContact O-N 2.83Å; I667-N671 PolarHBondContact O-OD1 3.12Å
668D91.6Very high93.9Very high4 Ų424.3 Ų24.32%0.02112%0.124CC..Hα-helixtrans-66.4-29.7177.470.5-75.6000112.7M643 R666 K672M643-D668 HydrophobicContact CE-CB 4.5Å; M643-D668 HydrophobicContact SD-CB 3.75Å; R666-D668 VanDerWaalsContact C-N 3.33Å; R666-D668 WeakPolarHBondContact CB-OD1 3.27Å; R666-D668 IonicContact CZ-OD1 3.92Å; R666-D668 IonicContact CZ-OD2 2.72Å; R666-D668 IonicContact NE-OD1 2.86Å; R666-D668 PolarHBondContact NE-OD1 3.44Å; R666-D668 IonicContact NE-OD2 2.61Å; R666-D668 IonicContact NH2-OD1 2.65Å; R666-D668 PolarHBondContact NH2-OD1 3.42Å; R666-D668 IonicContact NH2-OD2 3.28Å; R666-D668 PolarHBondContact NH2-OD2 3.05Å; R666-D668 PolarHBondContact O-N 3.1Å; D668-K672 VanDerWaalsContact O-CG 3.24Å; D668-K672 WeakPolarHBondContact O-CG 3.47Å; D668-K672 PolarHBondContact O-N 2.84Å; D668-K672 PolarHBondContact O-NZ 2.84Å; D668-K672 IonicContact OD2-NZ 3.45Å; D668-K672 PolarHBondContact OD2-NZ 2.91Å; D668-K672 VanDerWaalsContact OD2-NZ 3.12Å
669Q94.1Very high93.8Very high0 Ų026.8 Ų26.80%013%0.134CC..Hα-helixtrans-80.2-36.2175.7-60.7-66-51.600111.4T662 L664 R666 I667 K672 L673T662-Q669 VanDerWaalsContact OG1-CD 3.28Å; T662-Q669 VanDerWaalsContact OG1-CG 3.28Å; T662-Q669 WeakPolarHBondContact OG1-CG 3.25Å; T662-Q669 PolarHBondContact OG1-OE1 3.48Å; L664-Q669 HydrophobicContact CD2-CB 4.18Å; R666-Q669 HydrophobicContact CB-CB 4.23Å; R666-Q669 HydrophobicContact CB-CG 3.87Å; R666-Q669 PolarHBondContact O-N 2.85Å; I667-Q669 VanDerWaalsContact C-N 3.29Å; I667-Q669 PolarHBondContact O-N 2.89Å; Q669-K672 PolarHBondContact O-N 2.98Å; Q669-L673 PolarHBondContact O-N 2.99Å; Q669-L673 VanDerWaalsContact O-N 3.12Å
670M94.2Very high93.5Very high16 Ų1627.1 Ų27.18%0.07914%0.135CC..Hα-helixtrans-64.4-42.3172.5-175.659.37800111.6F310 K313 L664 R666 I667 L673 I674F310-M670 HydrophobicContact CD1-CE 4.11Å; F310-M670 HydrophobicContact CD1-SD 4.37Å; F310-M670 HydrophobicContact CE1-CE 3.7Å; F310-M670 HydrophobicContact CE1-CG 4.5Å; F310-M670 HydrophobicContact CE1-SD 3.5Å; F310-M670 WeakPolarHBondContact CE1-SD 3.42Å; F310-M670 HydrophobicContact CZ-SD 3.94Å; K313-M670 HydrophobicContact CD-CE 3.6Å; L664-M670 HydrophobicContact CB-CE 3.85Å; L664-M670 HydrophobicContact CD1-CE 4.4Å; R666-M670 PolarHBondContact O-N 3.49Å; R666-M670 VanDerWaalsContact O-N 3.13Å; I667-M670 PolarHBondContact O-N 3.48Å; M670-L673 PolarHBondContact O-N 2.89Å; M670-I674 HydrophobicContact CG-CD1 3.96Å; M670-I674 WeakPolarHBondContact O-CG1 3.47Å; M670-I674 PolarHBondContact O-N 3.31Å; M670-I674 HydrophobicContact SD-CD1 4.42Å
671N94.9Very high93.1Very high60 Ų6028.3 Ų28.332%0.32114%0.141SC..Hα-helixtrans-60.1-47.9175.7-72.3-0.7000111I667 L673 I674 T675I667-N671 WeakPolarHBondContact O-CB 3.39Å; I667-N671 VanDerWaalsContact O-CG 3.27Å; I667-N671 PolarHBondContact O-N 2.83Å; I667-N671 PolarHBondContact O-OD1 3.12Å; N671-L673 VanDerWaalsContact C-N 3.3Å; N671-L673 PolarHBondContact O-N 2.85Å; N671-I674 CarbonylContact O-C 3.55Å; N671-I674 WeakPolarHBondContact O-CA 3.24Å; N671-I674 WeakPolarHBondContact O-CB 3.45Å; N671-I674 PolarHBondContact O-N 2.96Å; N671-T675 PolarHBondContact O-N 3.5Å; N671-T675 PolarHBondContact O-OG1 2.83Å; N671-T675 VanDerWaalsContact O-OG1 3.13Å
672K96.2Very high92.6Very high0 Ų032.7 Ų32.70%016%0.164CC..Hα-helixtrans-54.4-42.4174.7-74.3177-163.876.50112.7L637 V642 E644 I648 L661 D668 Q669 T675 W676L637-K672 HydrophobicContact CD1-CD 3.56Å; V642-K672 PolarHBondContact O-NZ 2.99Å; E644-K672 WeakPolarHBondContact O-CE 3.25Å; I648-K672 HydrophobicContact CD1-CB 3.81Å; I648-K672 HydrophobicContact CD1-CG 4.42Å; I648-K672 HydrophobicContact CG1-CB 3.76Å; I648-K672 HydrophobicContact CG1-CG 4.04Å; I648-K672 WeakPolarHBondContact CG1-O 3.47Å; L661-K672 HydrophobicContact CD2-CB 4.39Å; D668-K672 VanDerWaalsContact O-CG 3.24Å; D668-K672 WeakPolarHBondContact O-CG 3.47Å; D668-K672 PolarHBondContact O-N 2.84Å; D668-K672 PolarHBondContact O-NZ 2.84Å; D668-K672 IonicContact OD2-NZ 3.45Å; D668-K672 PolarHBondContact OD2-NZ 2.91Å; D668-K672 VanDerWaalsContact OD2-NZ 3.12Å; Q669-K672 PolarHBondContact O-N 2.98Å; K672-T675 PolarHBondContact O-N 2.91Å; K672-W676 WeakPolarHBondContact O-CB 3.45Å; K672-W676 PolarHBondContact O-N 3Å
673L96.7Very high92.2Very high0 Ų034.7 Ų34.70%017%0.174CC..Hα-helixtrans-65.5-37.6174.4-178.162000112.9P267 I269 L306 I309 L661 L664 Q669 M670 N671 W676 Y677P267-L673 HydrophobicContact CB-CD1 4.14Å; P267-L673 HydrophobicContact CG-CD1 4.07Å; I269-L673 HydrophobicContact CD1-CD1 4.35Å; L306-L673 HydrophobicContact CD1-CD2 4.02Å; L306-L673 HydrophobicContact CD1-CG 3.99Å; I309-L673 HydrophobicContact CB-CD2 4.4Å; I309-L673 HydrophobicContact CG2-CD2 3.7Å; L661-L673 HydrophobicContact CD1-CB 3.74Å; L661-L673 HydrophobicContact CD1-CD1 3.97Å; L661-L673 HydrophobicContact CD1-CG 4.38Å; L664-L673 HydrophobicContact CD1-CD2 3.76Å; L664-L673 HydrophobicContact CD2-CD2 4.32Å; Q669-L673 PolarHBondContact O-N 2.99Å; Q669-L673 VanDerWaalsContact O-N 3.12Å; M670-L673 PolarHBondContact O-N 2.89Å; N671-L673 VanDerWaalsContact C-N 3.3Å; N671-L673 PolarHBondContact O-N 2.85Å; L673-W676 HydrophobicContact CD1-CE3 4.02Å; L673-Y677 WeakPolarHBondContact O-CB 3.44Å; L673-Y677 PolarHBondContact O-N 3.41Å
674I96.1Very high91.7Very high53 Ų5336.6 Ų36.627%0.27218%0.184SC..Hα-helixtrans-69.3-41.1176.8-68.6164.9000110.7F310 M670 N671 Y677 N678F310-I674 HydrophobicContact CZ-CD1 4.34Å; F310-I674 HydrophobicContact CZ-CG1 4.4Å; M670-I674 HydrophobicContact CG-CD1 3.96Å; M670-I674 WeakPolarHBondContact O-CG1 3.47Å; M670-I674 PolarHBondContact O-N 3.31Å; M670-I674 HydrophobicContact SD-CD1 4.42Å; N671-I674 CarbonylContact O-C 3.55Å; N671-I674 WeakPolarHBondContact O-CA 3.24Å; N671-I674 WeakPolarHBondContact O-CB 3.45Å; N671-I674 PolarHBondContact O-N 2.96Å; I674-Y677 PolarHBondContact O-N 3.19Å; I674-N678 WeakPolarHBondContact O-CB 3.41Å; I674-N678 PolarHBondContact O-N 2.91Å; I674-N678 PolarHBondContact O-ND2 3.17Å
675T95.1Very high91.2Very high36 Ų3640.3 Ų40.322%0.22120%0.204CC..Hα-helixtrans-64-44.7176.4-57.10000111.1D645 N671 K672 Y677 N678 Y679D645-T675 HydrophobicContact CB-CG2 3.76Å; D645-T675 VanDerWaalsContact OD1-CB 3.31Å; D645-T675 WeakPolarHBondContact OD1-CB 3.19Å; D645-T675 PolarHBondContact OD1-OG1 3.45Å; N671-T675 PolarHBondContact O-N 3.5Å; N671-T675 PolarHBondContact O-OG1 2.83Å; N671-T675 VanDerWaalsContact O-OG1 3.13Å; K672-T675 PolarHBondContact O-N 2.91Å; T675-Y677 VanDerWaalsContact C-N 3.34Å; T675-Y677 PolarHBondContact O-N 3.28Å; T675-N678 PolarHBondContact O-N 3Å; T675-Y679 WeakPolarHBondContact O-CB 3.44Å; T675-Y679 PolarHBondContact O-N 3.5Å
676W95.5Very high90.8Very high1 Ų144.7 Ų44.70%0.00422%0.222CC..Hα-helixtrans-53.3-49.4170171.587.1000112.2I264 T265 P267 P302 L305 I648 K672 L673 Y679 Y680 L695I264-W676 HydrophobicContact CG2-CZ2 4.04Å; T265-W676 PolarHBondContact O-NE1 3.18Å; P267-W676 VanDerWaalsContact CD-CZ2 3.45Å; P267-W676 HydrophobicContact CG-CD2 4Å; P267-W676 HydrophobicContact CG-CE3 4.1Å; P267-W676 HydrophobicContact CG-CH2 4.08Å; P267-W676 HydrophobicContact CG-CZ2 3.94Å; P267-W676 HydrophobicContact CG-CZ3 4.15Å; P302-W676 HydrophobicContact CB-CH2 3.74Å; P302-W676 HydrophobicContact CB-CZ3 3.92Å; P302-W676 HydrophobicContact CG-CH2 4.14Å; L305-W676 HydrophobicContact CD2-CH2 3.74Å; L305-W676 HydrophobicContact CD2-CZ3 4.06Å; I648-W676 HydrophobicContact CD1-CB 4.49Å; I648-W676 HydrophobicContact CG2-CB 3.94Å; K672-W676 WeakPolarHBondContact O-CB 3.45Å; K672-W676 PolarHBondContact O-N 3Å; L673-W676 HydrophobicContact CD1-CE3 4.02Å; W676-Y679 PolarHBondContact O-N 3.09Å; W676-Y680 AromaticContact CD1-CD2 3.88Å; W676-Y680 AromaticContact CD1-CE2 3.7Å; W676-Y680 HydrophobicContact CD2-CD2 4.28Å; W676-Y680 AromaticContact CE2-CD2 3.66Å; W676-Y680 AromaticContact CE2-CE2 3.98Å; W676-Y680 HydrophobicContact CG-CD2 4.35Å; W676-Y680 HydrophobicContact CZ2-CD2 4.06Å; W676-Y680 AromaticContact NE1-CD2 3.44Å; W676-Y680 AromaticContact NE1-CE2 3.29Å; W676-Y680 VanDerWaalsContact NE1-CE2 3.29Å; W676-Y680 WeakPolarHBondContact O-CD2 3.43Å; W676-Y680 PolarHBondContact O-N 3.41Å; W676-L695 HydrophobicContact CH2-CD2 4.36Å; W676-L695 HydrophobicContact CZ2-CD2 4.39Å
677Y94.9Very high90.1Very high40 Ų4047.3 Ų47.316%0.15724%0.238CC..Hα-helixtrans-62-48.8179158.8-101000111.7P302 K303 L306 L673 I674 T675 Y679 Y680 Q681P302-Y677 HydrophobicContact CB-CD2 3.96Å; K303-Y677 HydrophobicContact CB-CE2 3.83Å; K303-Y677 HydrophobicContact CG-CE2 4.25Å; L306-Y677 HydrophobicContact CB-CD2 4.17Å; L306-Y677 HydrophobicContact CB-CG 4.27Å; L306-Y677 HydrophobicContact CD2-CD1 3.38Å; L306-Y677 HydrophobicContact CD2-CD2 3.96Å; L306-Y677 HydrophobicContact CD2-CE1 3.89Å; L306-Y677 HydrophobicContact CD2-CE2 4.42Å; L306-Y677 HydrophobicContact CD2-CG 3.4Å; L306-Y677 VanDerWaalsContact CD2-CG 3.4Å; L306-Y677 HydrophobicContact CG-CG 4.4Å; L673-Y677 WeakPolarHBondContact O-CB 3.44Å; L673-Y677 PolarHBondContact O-N 3.41Å; I674-Y677 PolarHBondContact O-N 3.19Å; T675-Y677 VanDerWaalsContact C-N 3.34Å; T675-Y677 PolarHBondContact O-N 3.28Å; Y677-Y679 VanDerWaalsContact C-N 3.29Å; Y677-Y679 PolarHBondContact O-N 3.1Å; Y677-Y680 PolarHBondContact O-N 3.07Å; Y677-Q681 HydrophobicContact CD2-CB 4.38Å; Y677-Q681 HydrophobicContact CE2-CB 3.92Å; Y677-Q681 HydrophobicContact CE2-CG 4.13Å; Y677-Q681 VanDerWaalsContact O-CB 3.24Å; Y677-Q681 WeakPolarHBondContact O-CB 3.4Å; Y677-Q681 PolarHBondContact O-N 3.12Å
678N93.6Very high88.5Confident75 Ų7549.8 Ų49.840%0.40125%0.247SC..Hα-helixtrans-60.1-41.1-178.5-72.1-24.2000111.2I674 T675 N682I674-N678 WeakPolarHBondContact O-CB 3.41Å; I674-N678 PolarHBondContact O-N 2.91Å; I674-N678 PolarHBondContact O-ND2 3.17Å; T675-N678 PolarHBondContact O-N 3Å; N678-N682 WeakPolarHBondContact O-CB 3.38Å; N678-N682 PolarHBondContact O-N 3.18Å; N678-N682 PolarHBondContact O-ND2 3.38Å; N678-N682 VanDerWaalsContact O-ND2 3.13Å
679Y91.3Very high86.4Confident56 Ų5657.5 Ų57.522%0.2229%0.288CS..Hα-helixtrans-58.2-56175.8173.1-93.3000111.8Q229 I652 T675 W676 Y677 Q681 N682 I683Q229-Y679 HydrophobicContact CG-CE2 4.4Å; Q229-Y679 PolarHBondContact NE2-OH 2.73Å; Q229-Y679 VanDerWaalsContact OE1-CE2 3.22Å; I652-Y679 HydrophobicContact CD1-CD1 3.63Å; I652-Y679 HydrophobicContact CD1-CE1 4.03Å; I652-Y679 HydrophobicContact CD1-CG 4.06Å; I652-Y679 HydrophobicContact CG2-CD1 4.14Å; I652-Y679 HydrophobicContact CG2-CE1 3.41Å; I652-Y679 VanDerWaalsContact CG2-CE1 3.41Å; I652-Y679 HydrophobicContact CG2-CE2 4.4Å; T675-Y679 WeakPolarHBondContact O-CB 3.44Å; T675-Y679 PolarHBondContact O-N 3.5Å; W676-Y679 PolarHBondContact O-N 3.09Å; Y677-Y679 VanDerWaalsContact C-N 3.29Å; Y677-Y679 PolarHBondContact O-N 3.1Å; Y679-Q681 PolarHBondContact O-N 3.01Å; Y679-N682 PolarHBondContact O-N 3.03Å; Y679-I683 HydrophobicContact CD1-CD1 4.16Å; Y679-I683 HydrophobicContact CE1-CD1 3.42Å; Y679-I683 VanDerWaalsContact CE1-CD1 3.42Å; Y679-I683 HydrophobicContact CE2-CD1 4.06Å; Y679-I683 PolarHBondContact O-N 3.31Å; Y679-I683 WeakPolarHBondContact OH-CD1 3.36Å
680Y89.8Confident84.5Confident9 Ų962.5 Ų62.54%0.03531%0.312CS..Hα-helixtrans-70.1-31.4-178.2-75.6-70.7000112.8I264 T265 I652 W676 Y677 I683 I684 W693I264-Y680 HydrophobicContact CB-CD1 4.45Å; I264-Y680 HydrophobicContact CB-CE1 3.98Å; I264-Y680 HydrophobicContact CG1-CD1 3.91Å; I264-Y680 HydrophobicContact CG1-CE1 3.69Å; I264-Y680 HydrophobicContact CG2-CD1 4.1Å; I264-Y680 HydrophobicContact CG2-CD2 4.11Å; I264-Y680 HydrophobicContact CG2-CE1 3.86Å; I264-Y680 HydrophobicContact CG2-CE2 3.89Å; I264-Y680 HydrophobicContact CG2-CG 4.23Å; T265-Y680 PolarHBondContact N-OH 3.2Å; I652-Y680 HydrophobicContact CD1-CE2 3.74Å; I652-Y680 HydrophobicContact CG1-CE2 4.05Å; W676-Y680 AromaticContact CD1-CD2 3.88Å; W676-Y680 AromaticContact CD1-CE2 3.7Å; W676-Y680 HydrophobicContact CD2-CD2 4.28Å; W676-Y680 AromaticContact CE2-CD2 3.66Å; W676-Y680 AromaticContact CE2-CE2 3.98Å; W676-Y680 HydrophobicContact CG-CD2 4.35Å; W676-Y680 HydrophobicContact CZ2-CD2 4.06Å; W676-Y680 AromaticContact NE1-CD2 3.44Å; W676-Y680 AromaticContact NE1-CE2 3.29Å; W676-Y680 VanDerWaalsContact NE1-CE2 3.29Å; W676-Y680 WeakPolarHBondContact O-CD2 3.43Å; W676-Y680 PolarHBondContact O-N 3.41Å; Y677-Y680 PolarHBondContact O-N 3.07Å; Y680-I683 PolarHBondContact O-N 2.99Å; Y680-I684 WeakPolarHBondContact O-CG1 3.45Å; Y680-I684 PolarHBondContact O-N 3.33Å; Y680-W693 HydrophobicContact CD1-CH2 4.45Å
681Q86.9Confident82.1Confident25 Ų2567.8 Ų67.812%0.11735%0.345CS..Hα-helixtrans-66.2-41173.9-170.262.555.900111.9Y677 Y679 I683 I684 D685Y677-Q681 HydrophobicContact CD2-CB 4.38Å; Y677-Q681 HydrophobicContact CE2-CB 3.92Å; Y677-Q681 HydrophobicContact CE2-CG 4.13Å; Y677-Q681 VanDerWaalsContact O-CB 3.24Å; Y677-Q681 WeakPolarHBondContact O-CB 3.4Å; Y677-Q681 PolarHBondContact O-N 3.12Å; Y679-Q681 PolarHBondContact O-N 3.01Å; Q681-I683 VanDerWaalsContact C-N 3.26Å; Q681-I683 PolarHBondContact O-N 3.05Å; Q681-I684 WeakPolarHBondContact O-CB 3.41Å; Q681-I684 PolarHBondContact O-N 2.92Å; Q681-I684 VanDerWaalsContact O-N 3.16Å; Q681-D685 PolarHBondContact NE2-OD1 2.89Å; Q681-D685 WeakPolarHBondContact O-CB 3.36Å; Q681-D685 PolarHBondContact O-N 3.14Å
682N87.2Confident80.2Confident92 Ų9271.6 Ų71.649%0.49237%0.366SS..Hα-helixtrans-60.1-37.1173.8-72.6-26.6000111.8N678 Y679 D685 Q686N678-N682 WeakPolarHBondContact O-CB 3.38Å; N678-N682 PolarHBondContact O-N 3.18Å; N678-N682 PolarHBondContact O-ND2 3.38Å; N678-N682 VanDerWaalsContact O-ND2 3.13Å; Y679-N682 PolarHBondContact O-N 3.03Å; N682-D685 PolarHBondContact O-N 3.44Å; N682-Q686 WeakPolarHBondContact O-CB 3.42Å; N682-Q686 VanDerWaalsContact O-CG 3.24Å; N682-Q686 WeakPolarHBondContact O-CG 3.32Å; N682-Q686 PolarHBondContact O-N 3.48Å; N682-Q686 VanDerWaalsContact O-N 3.09Å
683I84.6Confident78.5Confident43 Ų4374.4 Ų74.422%0.22138%0.377CS..Hα-helixtrans-67.6-41.7174.7-68.1177.5000111.6Y679 Y680 Q681 D685 Q686 N687 W693Y679-I683 HydrophobicContact CD1-CD1 4.16Å; Y679-I683 HydrophobicContact CE1-CD1 3.42Å; Y679-I683 VanDerWaalsContact CE1-CD1 3.42Å; Y679-I683 HydrophobicContact CE2-CD1 4.06Å; Y679-I683 PolarHBondContact O-N 3.31Å; Y679-I683 WeakPolarHBondContact OH-CD1 3.36Å; Y680-I683 PolarHBondContact O-N 2.99Å; Q681-I683 VanDerWaalsContact C-N 3.26Å; Q681-I683 PolarHBondContact O-N 3.05Å; I683-D685 VanDerWaalsContact C-N 3.34Å; I683-Q686 PolarHBondContact O-N 2.85Å; I683-N687 WeakPolarHBondContact O-CB 3.47Å; I683-N687 PolarHBondContact O-N 3.31Å; I683-W693 HydrophobicContact CG2-CH2 4.3Å; I683-W693 HydrophobicContact CG2-CZ2 4.27Å
684I80.8Confident76.8Confident40 Ų4079 Ų7921%0.20540%0.397CS..Hα-helixtrans-58-49174.1-68.9164.4000110.2P302 Y680 Q681 Q686 N687 W693P302-I684 HydrophobicContact CG-CD1 3.93Å; Y680-I684 WeakPolarHBondContact O-CG1 3.45Å; Y680-I684 PolarHBondContact O-N 3.33Å; Q681-I684 WeakPolarHBondContact O-CB 3.41Å; Q681-I684 PolarHBondContact O-N 2.92Å; Q681-I684 VanDerWaalsContact O-N 3.16Å; I684-Q686 VanDerWaalsContact C-N 3.27Å; I684-Q686 PolarHBondContact O-N 2.96Å; I684-N687 PolarHBondContact O-N 2.82Å; I684-W693 HydrophobicContact CB-CZ2 4.27Å; I684-W693 HydrophobicContact CD1-CD2 4.28Å; I684-W693 HydrophobicContact CD1-CE3 4Å; I684-W693 HydrophobicContact CD1-CH2 3.96Å; I684-W693 HydrophobicContact CD1-CZ2 4.21Å; I684-W693 HydrophobicContact CD1-CZ3 3.8Å; I684-W693 HydrophobicContact CG1-CD2 3.98Å; I684-W693 HydrophobicContact CG1-CE3 4.04Å; I684-W693 HydrophobicContact CG1-CH2 3.34Å; I684-W693 HydrophobicContact CG1-CZ2 3.22Å; I684-W693 HydrophobicContact CG1-CZ3 3.71Å
685D82.3Confident75.6Confident91 Ų9176.6 Ų76.649%0.48738%0.384SS..Hα-helixtrans-68.5-28.3-173.9-65.4-11.6000112Q681 N682 I683 H688Q681-D685 PolarHBondContact NE2-OD1 2.89Å; Q681-D685 WeakPolarHBondContact O-CB 3.36Å; Q681-D685 PolarHBondContact O-N 3.14Å; N682-D685 PolarHBondContact O-N 3.44Å; I683-D685 VanDerWaalsContact C-N 3.34Å; D685-H688 PolarHBondContact O-CE1 2.91Å; D685-H688 VanDerWaalsContact O-CE1 3.26Å
686Q82.1Confident74.2Confident148 Ų14875.8 Ų75.869%0.69238%0.377SS*.Hα-helixtrans-82-36173.7-70.8174.19.900113.6N682 I683 I684 H688N682-Q686 WeakPolarHBondContact O-CB 3.42Å; N682-Q686 VanDerWaalsContact O-CG 3.24Å; N682-Q686 WeakPolarHBondContact O-CG 3.32Å; N682-Q686 PolarHBondContact O-N 3.48Å; N682-Q686 VanDerWaalsContact O-N 3.09Å; I683-Q686 PolarHBondContact O-N 2.85Å; I684-Q686 VanDerWaalsContact C-N 3.27Å; I684-Q686 PolarHBondContact O-N 2.96Å; Q686-H688 PolarHBondContact O-N 3.25Å
687N73.8Confident72.4Confident85 Ų8579.1 Ų79.146%0.45540%0.395SS..  trans-101.876.5-173.2-73.5-41.7000113.1I683 I684 L689 M690I683-N687 WeakPolarHBondContact O-CB 3.47Å; I683-N687 PolarHBondContact O-N 3.31Å; I684-N687 PolarHBondContact O-N 2.82Å; N687-L689 PolarHBondContact O-N 3.38Å; N687-M690 PolarHBondContact O-N 3.33Å
688H56.6Low70.4Confident172 Ų17280.6 Ų80.680%0.79641%0.406SS*.THydrogen-bonded Turntrans-58.1-10.3178-58.1-34.6000116.1D685 Q686D685-H688 PolarHBondContact O-CE1 2.91Å; D685-H688 VanDerWaalsContact O-CE1 3.26Å; Q686-H688 PolarHBondContact O-N 3.25Å
689L48.6Very low68.4Low166 Ų16679.3 Ų79.387%0.86940%0.402SS*.THydrogen-bonded Turntrans-99.2-4.4-173.2-76165.9000115.1N687 T691N687-L689 PolarHBondContact O-N 3.38Å; L689-T691 PolarHBondContact O-N 2.9Å
690M52.4Low66.5Low104 Ų10478.1 Ų78.151%0.51240%0.4SS..  trans-81.994.2175.9-78.5-74.2-161.600110.7N687N687-M690 PolarHBondContact O-N 3.33Å
691T44.7Very low64.5Low127 Ų12777.8 Ų77.878%0.77940%0.398SS*.  trans-81.5-29.7-179.649.40000114.4L689L689-T691 PolarHBondContact O-N 2.9Å
692D54.8Low62.6Low141 Ų14180.4 Ų80.475%0.75441%0.413SS*.SBendtrans-111.370.2-176.8-69.9-50.7000111.8K694D692-K694 PolarHBondContact O-N 2.96Å
693W60.3Low60.2Low58 Ų5883.4 Ų83.422%0.2243%0.429CS..  trans-68.7125.9172.7-90.975.3000111.6I264 P302 Y680 I683 I684I264-W693 HydrophobicContact CD1-CE3 3.48Å; I264-W693 VanDerWaalsContact CD1-CE3 3.48Å; I264-W693 HydrophobicContact CD1-CH2 4.19Å; I264-W693 HydrophobicContact CD1-CZ3 3.26Å; I264-W693 HydrophobicContact CG1-CZ3 4.15Å; P302-W693 HydrophobicContact CG-CZ3 4.17Å; Y680-W693 HydrophobicContact CD1-CH2 4.45Å; I683-W693 HydrophobicContact CG2-CH2 4.3Å; I683-W693 HydrophobicContact CG2-CZ2 4.27Å; I684-W693 HydrophobicContact CB-CZ2 4.27Å; I684-W693 HydrophobicContact CD1-CD2 4.28Å; I684-W693 HydrophobicContact CD1-CE3 4Å; I684-W693 HydrophobicContact CD1-CH2 3.96Å; I684-W693 HydrophobicContact CD1-CZ2 4.21Å; I684-W693 HydrophobicContact CD1-CZ3 3.8Å; I684-W693 HydrophobicContact CG1-CD2 3.98Å; I684-W693 HydrophobicContact CG1-CE3 4.04Å; I684-W693 HydrophobicContact CG1-CH2 3.34Å; I684-W693 HydrophobicContact CG1-CZ2 3.22Å; I684-W693 HydrophobicContact CG1-CZ3 3.71Å
694K62Low59Low98 Ų9885.5 Ų85.543%0.42644%0.44SS..  trans-137.1138.9163.8-57.3179.5-172.5170.40109.7I264 P298 D692 Y696 D697I264-K694 WeakPolarHBondContact CD1-O 3.29Å; P298-K694 HydrophobicContact CB-CB 4.49Å; P298-K694 CarbonylContact O-C 3.38Å; P298-K694 WeakPolarHBondContact O-CA 3.34Å; P298-K694 WeakPolarHBondContact O-CB 3.48Å; D692-K694 PolarHBondContact O-N 2.96Å; K694-Y696 WeakPolarHBondContact CB-O 3.44Å; K694-Y696 PolarHBondContact O-N 3.34Å; K694-D697 IonicContact NZ-OD1 3.59Å; K694-D697 PolarHBondContact NZ-OD1 3.41Å
695L70.4Confident57.9Low2 Ų287.8 Ų87.81%0.0145%0.452CS..SBendtrans-57.8-34.2172.8-59.2179.4000112I264 P296 P298 L300 L305 W676I264-L695 WeakPolarHBondContact CB-O 2.87Å; I264-L695 HydrophobicContact CD1-CD2 4.44Å; I264-L695 HydrophobicContact CG2-CD2 4.08Å; P296-L695 HydrophobicContact CB-CD1 3.82Å; P296-L695 HydrophobicContact CG-CD1 3.81Å; P298-L695 PolarHBondContact O-N 3.33Å; L300-L695 HydrophobicContact CB-CD1 4.11Å; L300-L695 VanDerWaalsContact O-CD2 3.32Å; L300-L695 WeakPolarHBondContact O-CD2 3.27Å; L300-L695 WeakPolarHBondContact O-CG 3.42Å; L305-L695 HydrophobicContact CD2-CD1 4Å; W676-L695 HydrophobicContact CH2-CD2 4.36Å; W676-L695 HydrophobicContact CZ2-CD2 4.39Å
696Y66.6Low56.5Low18 Ų1887.7 Ų87.77%0.07145%0.45CS..SBendtrans-161.6166.6176.653.9-89.8000108.3C266 P296 P298 F658 K694 I700 I701C266-Y696 HydrophobicContact CB-CD1 4.11Å; P296-Y696 WeakPolarHBondContact O-CE1 3.47Å; P296-Y696 VanDerWaalsContact O-CZ 3.31Å; P296-Y696 PolarHBondContact O-OH 3.02Å; P298-Y696 HydrophobicContact CB-CD1 4.33Å; P298-Y696 HydrophobicContact CB-CD2 3.87Å; P298-Y696 HydrophobicContact CB-CE1 4.25Å; P298-Y696 HydrophobicContact CB-CE2 3.78Å; P298-Y696 HydrophobicContact CB-CG 4.14Å; P298-Y696 WeakPolarHBondContact CB-O 3.4Å; P298-Y696 WeakPolarHBondContact CD-OH 3.28Å; P298-Y696 HydrophobicContact CG-CD2 4.41Å; P298-Y696 HydrophobicContact CG-CE2 3.94Å; F658-Y696 HydrophobicContact CE1-CD1 4.07Å; F658-Y696 HydrophobicContact CE1-CE1 4.07Å; F658-Y696 HydrophobicContact CZ-CD1 4.24Å; F658-Y696 HydrophobicContact CZ-CE1 4.44Å; F658-Y696 HydrophobicContact CZ-CG 4.29Å; K694-Y696 WeakPolarHBondContact CB-O 3.44Å; K694-Y696 PolarHBondContact O-N 3.34Å; Y696-I700 HydrophobicContact CD2-CB 4.47Å; Y696-I701 HydrophobicContact CE2-CD1 3.54Å; Y696-I701 HydrophobicContact CE2-CG1 3.9Å; Y696-I701 VanDerWaalsContact OH-CD1 3.29Å; Y696-I701 WeakPolarHBondContact OH-CD1 3.32Å
697D56.9Low55Low72 Ų7284.1 Ų84.139%0.38544%0.436SS..  trans-78.3146.9177.5-167.719000111.9K694 S699 I700K694-D697 IonicContact NZ-OD1 3.59Å; K694-D697 PolarHBondContact NZ-OD1 3.41Å; D697-S699 VanDerWaalsContact CG-OG 3.27Å; D697-S699 PolarHBondContact O-N 3.37Å; D697-S699 WeakPolarHBondContact OD2-CB 2.99Å; D697-S699 PolarHBondContact OD2-OG 2.92Å; D697-I700 HydrophobicContact CB-CD1 4.14Å; D697-I700 HydrophobicContact CB-CG1 4.12Å; D697-I700 VanDerWaalsContact O-CB 3.25Å; D697-I700 WeakPolarHBondContact O-CB 3.46Å; D697-I700 WeakPolarHBondContact O-CG1 3.26Å; D697-I700 PolarHBondContact O-N 3.3Å
698L53.3Low53.8Low71 Ų7184.1 Ų84.137%0.37244%0.435SS..Hα-helixtrans-60.8-35.2177.4-81.7161.3000111.4P298 I700 I701 D702P298-L698 HydrophobicContact CG-CD2 3.49Å; P298-L698 VanDerWaalsContact CG-CD2 3.49Å; P298-L698 HydrophobicContact CG-CG 3.77Å; L698-I700 PolarHBondContact O-N 3.16Å; L698-I701 PolarHBondContact O-N 3.46Å; L698-D702 WeakPolarHBondContact O-CB 3.47Å; L698-D702 PolarHBondContact O-N 3.06Å
699S51.5Low53.6Low48 Ų4878.2 Ų78.234%0.33641%0.411SS..Hα-helixtrans-56.6-16.3173.569.10000114.2D697 N703D697-S699 VanDerWaalsContact CG-OG 3.27Å; D697-S699 PolarHBondContact O-N 3.37Å; D697-S699 WeakPolarHBondContact OD2-CB 2.99Å; D697-S699 PolarHBondContact OD2-OG 2.92Å; S699-N703 WeakPolarHBondContact O-CB 3.37Å; S699-N703 PolarHBondContact O-N 3.27Å; S699-N703 PolarHBondContact O-ND2 3.1Å
700I49.9Very low54Low31 Ų3171.9 Ų71.916%0.15938%0.378CS..Hα-helixtrans-79.7-31.8177.6-57.5178.5000110.7F437 Q632 Y696 D697 L698F437-I700 HydrophobicContact CE1-CG2 4.07Å; F437-I700 WeakPolarHBondContact CE1-O 3.32Å; F437-I700 HydrophobicContact CZ-CG2 3.83Å; F437-I700 WeakPolarHBondContact CZ-O 3.36Å; Q632-I700 HydrophobicContact CG-CG2 3.59Å; Q632-I700 VanDerWaalsContact OE1-CG2 3.3Å; Y696-I700 HydrophobicContact CD2-CB 4.47Å; D697-I700 HydrophobicContact CB-CD1 4.14Å; D697-I700 HydrophobicContact CB-CG1 4.12Å; D697-I700 VanDerWaalsContact O-CB 3.25Å; D697-I700 WeakPolarHBondContact O-CB 3.46Å; D697-I700 WeakPolarHBondContact O-CG1 3.26Å; D697-I700 PolarHBondContact O-N 3.3Å; L698-I700 PolarHBondContact O-N 3.16Å
701I49.8Very low54.1Low2 Ų269.5 Ų69.51%0.0137%0.368CS..Hα-helixtrans-88.7-30.7170-75.3179.8000111.8Y365 R411 S435 F437 Y696 L698Y365-I701 HydrophobicContact CD2-CD1 3.49Å; Y365-I701 VanDerWaalsContact CD2-CD1 3.49Å; Y365-I701 HydrophobicContact CE2-CD1 3.32Å; Y365-I701 HydrophobicContact CG-CD1 4.48Å; R411-I701 HydrophobicContact CB-CG2 4.44Å; R411-I701 HydrophobicContact CG-CG2 4.26Å; S435-I701 CarbonylContact C-O 3.55Å; S435-I701 WeakPolarHBondContact CB-O 3.39Å; F437-I701 HydrophobicContact CD2-CG1 4.45Å; F437-I701 HydrophobicContact CE2-CD1 4.19Å; F437-I701 HydrophobicContact CE2-CG1 3.48Å; F437-I701 VanDerWaalsContact CE2-CG1 3.48Å; F437-I701 HydrophobicContact CZ-CG1 3.64Å; Y696-I701 HydrophobicContact CE2-CD1 3.54Å; Y696-I701 HydrophobicContact CE2-CG1 3.9Å; Y696-I701 VanDerWaalsContact OH-CD1 3.29Å; Y696-I701 WeakPolarHBondContact OH-CD1 3.32Å; L698-I701 PolarHBondContact O-N 3.46Å
702D45.7Very low54.9Low80 Ų8064.7 Ų64.743%0.42833%0.333SS..Hα-helixtrans-82.2-10.5-172.9-71.1-29.7000114.7S435 L698S435-D702 VanDerWaalsContact CB-O 3.22Å; S435-D702 WeakPolarHBondContact CB-O 3.26Å; S435-D702 VanDerWaalsContact OG-C 3.29Å; S435-D702 PolarHBondContact OG-O 3.27Å; L698-D702 WeakPolarHBondContact O-CB 3.47Å; L698-D702 PolarHBondContact O-N 3.06Å
703N37.3Very low54.9Low155 Ų15557.7 Ų57.783%0.82930%0.295SS*.  trans-108.30171.1-65.8-59.7000112.6S699S699-N703 WeakPolarHBondContact O-CB 3.37Å; S699-N703 PolarHBondContact O-N 3.27Å; S699-N703 PolarHBondContact O-ND2 3.1Å

Retrieved 703 of 703 residues in 870.1 ms (Link to these results)

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