A0A087Y393_POEFO Loading...

BTB domain-containing protein

AlphaFold DB , UniProt , Accession A0A087Y393, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 534 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
1E33.3Very low62.2Low248 Ų248103.9 Ų103.9100%1.15951%0.513SS*.  066.40-66.4165.1150.600110.4
2R33.8Very low64.7Low260 Ų26095.3 Ų95.398%0.98147%0.47SS*.  trans-132.629.2-165.1-117.2-177.4-172.2176.41.7112.2
3S39.2Very low66.7Low101 Ų10198.6 Ų98.671%0.70648%0.484SS*.  trans-113.3131.9178.461.70000109.4
4L41.3Very low68.1Low159 Ų15996.1 Ų96.183%0.83250%0.496SS*.  trans9757.4176.8-52.1148.3000115.1T6L4-T6 PolarHBondContact O-N 3.16Å; L4-T6 VanDerWaalsContact O-N 3.16Å
5L51.2Low69.6Low140 Ų14095.5 Ų95.573%0.73349%0.49SS*.  trans-54.4116140.1-79.2152.4000105.6E7L5-E7 PolarHBondContact O-N 2.99Å
6T56.8Low71Confident60 Ų6093.2 Ų93.237%0.36849%0.485SS..  trans-66.882.8-177.844.40000109.9L4 R21L4-T6 PolarHBondContact O-N 3.16Å; L4-T6 VanDerWaalsContact O-N 3.16Å; T6-R21 PolarHBondContact O-N 2.83Å
7E73.4Confident72.1Confident109 Ų10989.5 Ų89.551%0.50946%0.464SS..EExtended strand (participates in β ladder)trans-69.2121171.3-69.9179.6158.800108.8L5 V19L5-E7 PolarHBondContact O-N 2.99Å; E7-V19 WeakPolarHBondContact CA-O 3.41Å
8V85.5Confident73Confident0 Ų092.8 Ų92.80%047%0.471CS..EExtended strand (participates in β ladder)trans-107.1143.9169.965.30000108I10 V19 R21 F35 R45 V47V8-I10 HydrophobicContact CG1-CG1 4.37Å; V8-V19 HydrophobicContact CG1-CG2 3.55Å; V8-V19 PolarHBondContact N-O 3.21Å; V8-V19 PolarHBondContact O-N 3.02Å; V8-V19 VanDerWaalsContact O-N 3.11Å; V8-R21 HydrophobicContact CB-CG 3.79Å; V8-R21 HydrophobicContact CG1-CG 3.63Å; V8-F35 HydrophobicContact CB-CE1 4.41Å; V8-F35 HydrophobicContact CG1-CE1 3.77Å; V8-F35 HydrophobicContact CG1-CE2 4.37Å; V8-F35 HydrophobicContact CG1-CZ 3.69Å; V8-F35 HydrophobicContact CG2-CE1 4.05Å; V8-R45 WeakPolarHBondContact CG2-O 3.37Å; V8-V47 HydrophobicContact CG2-CG2 3.88Å
9I88.8Confident73.8Confident15 Ų1588.7 Ų88.78%0.07745%0.45CS..EExtended strand (participates in β ladder)trans-99.5109.9174.9-61.3167.5000106.6F17 Y18 R45 H46 V47I9-F17 WeakPolarHBondContact CA-O 3.34Å; I9-Y18 HydrophobicContact CD1-CD1 4.25Å; I9-Y18 HydrophobicContact CD1-CE1 3.69Å; I9-Y18 HydrophobicContact CG1-CD1 3.8Å; I9-Y18 HydrophobicContact CG1-CE1 3.72Å; I9-R45 PolarHBondContact N-O 2.91Å; I9-H46 WeakPolarHBondContact CD1-CE1 3.39Å; I9-H46 CarbonylContact O-C 3.44Å; I9-H46 WeakPolarHBondContact O-CA 3.3Å; I9-V47 PolarHBondContact O-N 2.96Å
10I90.6Very high74.5Confident0 Ų086 Ų860%044%0.44CS..EExtended strand (participates in β ladder)trans-88.3128.3171.9-59.3179.5000107.8V8 V12 S16 F17 V19 L24 F31 F35 V47 I49 F57V8-I10 HydrophobicContact CG1-CG1 4.37Å; I10-V12 HydrophobicContact CG2-CG2 4.02Å; I10-S16 CarbonylContact O-C 3.51Å; I10-S16 WeakPolarHBondContact O-CA 3.37Å; I10-F17 HydrophobicContact CB-CB 4.38Å; I10-F17 PolarHBondContact N-O 2.7Å; I10-F17 PolarHBondContact O-N 2.95Å; I10-V19 HydrophobicContact CD1-CG2 3.61Å; I10-V19 HydrophobicContact CG1-CG2 3.84Å; I10-L24 HydrophobicContact CD1-CD1 3.85Å; I10-F31 HydrophobicContact CD1-CE1 3.85Å; I10-F31 HydrophobicContact CD1-CZ 4.35Å; I10-F35 HydrophobicContact CD1-CZ 4.07Å; I10-F35 HydrophobicContact CG1-CZ 4.46Å; I10-V47 CarbonylContact C-O 3.6Å; I10-V47 VanDerWaalsContact CA-O 3.3Å; I10-V47 WeakPolarHBondContact CA-O 3.32Å; I10-I49 HydrophobicContact CD1-CD1 4.3Å; I10-I49 HydrophobicContact CG2-CD1 3.49Å; I10-I49 VanDerWaalsContact CG2-CD1 3.49Å; I10-I49 HydrophobicContact CG2-CG1 3.84Å; I10-F57 HydrophobicContact CD1-CZ 4.27Å; I10-F57 HydrophobicContact CG2-CE1 4.28Å; I10-F57 HydrophobicContact CG2-CZ 3.88Å
11N90.8Very high75.1Confident51 Ų5183.7 Ų83.727%0.27343%0.426SS..EExtended strand (participates in β ladder)trans-106.1126.4173.5-167.1-0.9000109.9G14 E15 V47 E48 I49N11-G14 VanDerWaalsContact OD1-C 3.24Å; N11-G14 VanDerWaalsContact OD1-CA 3.29Å; N11-G14 WeakPolarHBondContact OD1-CA 3.49Å; N11-G14 PolarHBondContact OD1-N 3.38Å; N11-E15 WeakPolarHBondContact CA-O 3.5Å; N11-E15 PolarHBondContact OD1-N 2.84Å; N11-E15 PolarHBondContact OD1-O 3.43Å; N11-E15 VanDerWaalsContact OD1-O 3.1Å; N11-V47 PolarHBondContact N-O 2.86Å; N11-E48 WeakPolarHBondContact O-CA 2.95Å; N11-I49 PolarHBondContact O-N 2.78Å
12V92.3Very high77.6Confident0 Ų077.1 Ų77.10%040%0.395CS..EExtended strand (participates in β ladder)trans-131.4121.9175.3179.50000107.7I10 G14 E15 F17 I49 V52 L54 F57I10-V12 HydrophobicContact CG2-CG2 4.02Å; V12-G14 PolarHBondContact O-N 3.43Å; V12-E15 PolarHBondContact N-O 3.45Å; V12-E15 PolarHBondContact O-N 3.49Å; V12-F17 HydrophobicContact CB-CE2 4.29Å; V12-I49 HydrophobicContact CG2-CB 4.22Å; V12-V52 HydrophobicContact CG1-CG2 3.8Å; V12-V52 HydrophobicContact CG2-CG2 4.32Å; V12-L54 HydrophobicContact CB-CD1 4.19Å; V12-L54 HydrophobicContact CG1-CB 4.44Å; V12-L54 HydrophobicContact CG1-CD1 4.19Å; V12-F57 HydrophobicContact CB-CD1 4.37Å; V12-F57 HydrophobicContact CG1-CB 4.4Å; V12-F57 HydrophobicContact CG1-CG 4.47Å; V12-F57 HydrophobicContact CG2-CD1 3.76Å; V12-F57 HydrophobicContact CG2-CD2 4.13Å; V12-F57 HydrophobicContact CG2-CE1 3.81Å; V12-F57 HydrophobicContact CG2-CE2 4.19Å; V12-F57 HydrophobicContact CG2-CG 3.94Å; V12-F57 HydrophobicContact CG2-CZ 4.04Å
13E90.8Very high80.2Confident139 Ų13968.1 Ų68.165%0.6536%0.364SS*.THydrogen-bonded Turntrans4732.1179.5-57.1-171.2137.300114.8L54E13-L54 HydrophobicContact CB-CB 4.2Å; E13-L54 HydrophobicContact CG-CB 4.43Å; E13-L54 WeakPolarHBondContact OE2-CB 3.46Å; E13-L54 PolarHBondContact OE2-N 2.58Å
14G85.7Confident82.6Confident63 Ų6363.4 Ų63.465%0.64933%0.331SS*.THydrogen-bonded Turntrans93.5-6.1178.500000115.3N11 V12N11-G14 VanDerWaalsContact OD1-C 3.24Å; N11-G14 VanDerWaalsContact OD1-CA 3.29Å; N11-G14 WeakPolarHBondContact OD1-CA 3.49Å; N11-G14 PolarHBondContact OD1-N 3.38Å; V12-G14 PolarHBondContact O-N 3.43Å
15E91Very high84.9Confident88 Ų8856.3 Ų56.341%0.41130%0.295SS..EExtended strand (participates in β ladder)trans-98.3139.9173.4-83.4-152.7-154.400113.5N11 V12 F17 L54 K58N11-E15 WeakPolarHBondContact CA-O 3.5Å; N11-E15 PolarHBondContact OD1-N 2.84Å; N11-E15 PolarHBondContact OD1-O 3.43Å; N11-E15 VanDerWaalsContact OD1-O 3.1Å; V12-E15 PolarHBondContact N-O 3.45Å; V12-E15 PolarHBondContact O-N 3.49Å; E15-F17 HydrophobicContact CB-CE2 4.13Å; E15-L54 HydrophobicContact CB-CD1 3.85Å; E15-L54 HydrophobicContact CB-CD2 4.13Å; E15-L54 HydrophobicContact CG-CD2 3.97Å; E15-K58 IonicContact OE1-NZ 3.53Å; E15-K58 PolarHBondContact OE1-NZ 3.46Å; E15-K58 WeakPolarHBondContact OE2-CE 3.48Å; E15-K58 IonicContact OE2-NZ 2.75Å; E15-K58 PolarHBondContact OE2-NZ 3.3Å
16S91.3Very high86.7Confident58 Ų5856.7 Ų56.741%0.40630%0.297SS..EExtended strand (participates in β ladder)trans-104.2124.7-174.2-67.10000112.6I10I10-S16 CarbonylContact O-C 3.51Å; I10-S16 WeakPolarHBondContact O-CA 3.37Å
17F89.6Confident88.3Confident30 Ų3056.5 Ų56.513%0.13229%0.292CS..EExtended strand (participates in β ladder)trans-109.8123178.1-62.9-93.3000110.7I9 I10 V12 E15 V19 L54 F57 K58 M61I9-F17 WeakPolarHBondContact CA-O 3.34Å; I10-F17 HydrophobicContact CB-CB 4.38Å; I10-F17 PolarHBondContact N-O 2.7Å; I10-F17 PolarHBondContact O-N 2.95Å; V12-F17 HydrophobicContact CB-CE2 4.29Å; E15-F17 HydrophobicContact CB-CE2 4.13Å; F17-V19 HydrophobicContact CB-CG1 4.33Å; F17-L54 HydrophobicContact CE2-CD1 3.68Å; F17-L54 HydrophobicContact CZ-CD1 3.67Å; F17-F57 HydrophobicContact CD1-CE1 4.36Å; F17-F57 HydrophobicContact CD2-CD1 4.07Å; F17-F57 AromaticContact CD2-CE1 3.79Å; F17-F57 HydrophobicContact CD2-CE1 3.79Å; F17-F57 HydrophobicContact CE1-CD1 4.38Å; F17-F57 AromaticContact CE2-CD1 3.87Å; F17-F57 HydrophobicContact CE2-CD1 3.87Å; F17-F57 HydrophobicContact CE2-CE1 4.08Å; F17-F57 HydrophobicContact CG-CD1 4.43Å; F17-F57 AromaticContact CG-CE1 3.96Å; F17-F57 HydrophobicContact CG-CE1 3.96Å; F17-F57 HydrophobicContact CZ-CD1 4.04Å; F17-F57 HydrophobicContact CZ-CE1 4.49Å; F17-K58 HydrophobicContact CE1-CG 3.68Å; F17-K58 HydrophobicContact CZ-CD 4.37Å; F17-K58 HydrophobicContact CZ-CG 3.47Å; F17-K58 VanDerWaalsContact CZ-CG 3.47Å; F17-M61 HydrophobicContact CD1-CB 4.4Å; F17-M61 HydrophobicContact CD1-CG 4.2Å
18Y88.9Confident89.3Confident150 Ų15051.3 Ų51.359%0.58827%0.268SS*.EExtended strand (participates in β ladder)trans-90.5112.2176.1-60.3-93.9000109.3I9I9-Y18 HydrophobicContact CD1-CD1 4.25Å; I9-Y18 HydrophobicContact CD1-CE1 3.69Å; I9-Y18 HydrophobicContact CG1-CD1 3.8Å; I9-Y18 HydrophobicContact CG1-CE1 3.72Å
19V88.2Confident89.6Confident14 Ų1454.5 Ų54.59%0.08529%0.289CS..EExtended strand (participates in β ladder)trans-137.6153.9-173.5-60.80000111.8E7 V8 I10 F17 L24 M61E7-V19 WeakPolarHBondContact CA-O 3.41Å; V8-V19 HydrophobicContact CG1-CG2 3.55Å; V8-V19 PolarHBondContact N-O 3.21Å; V8-V19 PolarHBondContact O-N 3.02Å; V8-V19 VanDerWaalsContact O-N 3.11Å; I10-V19 HydrophobicContact CD1-CG2 3.61Å; I10-V19 HydrophobicContact CG1-CG2 3.84Å; F17-V19 HydrophobicContact CB-CG1 4.33Å; V19-L24 HydrophobicContact CB-CD1 3.79Å; V19-L24 HydrophobicContact CB-CG 4.4Å; V19-L24 HydrophobicContact CG1-CD1 4.16Å; V19-L24 HydrophobicContact CG2-CD1 3.53Å; V19-M61 HydrophobicContact CG1-SD 4.29Å
20S87.2Confident89.8Confident35 Ų3556.6 Ų56.625%0.24530%0.296CS..EExtended strand (participates in β ladder)trans-84.8124.1173.2172.30000110.1H22 H23 L24S20-H22 VanDerWaalsContact C-N 3.3Å; S20-H22 PolarHBondContact O-N 2.91Å; S20-H23 PolarHBondContact O-N 2.88Å; S20-L24 PolarHBondContact O-N 2.73Å
21R87.4Confident89.9Confident38 Ų3856.6 Ų56.614%0.14330%0.296CS..Hα-helixtrans-54.6-44.7177.4-70.6-178.7178.3-178.8-3.9112.9T6 V8 A25 F35 F36 S42 K44T6-R21 PolarHBondContact O-N 2.83Å; V8-R21 HydrophobicContact CB-CG 3.79Å; V8-R21 HydrophobicContact CG1-CG 3.63Å; R21-A25 WeakPolarHBondContact O-CB 3.31Å; R21-A25 PolarHBondContact O-N 3.33Å; R21-F35 HydrophobicContact CB-CB 4.09Å; R21-F35 HydrophobicContact CB-CD2 3.86Å; R21-F35 HydrophobicContact CB-CE2 4.48Å; R21-F35 HydrophobicContact CB-CG 3.94Å; R21-F35 HydrophobicContact CG-CB 4.15Å; R21-F35 HydrophobicContact CG-CD1 3.95Å; R21-F35 HydrophobicContact CG-CD2 4.01Å; R21-F35 HydrophobicContact CG-CE1 4.39Å; R21-F35 HydrophobicContact CG-CE2 4.43Å; R21-F35 HydrophobicContact CG-CG 3.76Å; R21-F36 HydrophobicContact CB-CE2 4.39Å; R21-F36 HydrophobicContact CB-CZ 4.18Å; R21-S42 PolarHBondContact NH1-O 3.4Å; R21-S42 PolarHBondContact NH2-O 3.49Å; R21-K44 PolarHBondContact NH2-O 2.94Å
22H86.4Confident89.9Confident109 Ų10962 Ų6251%0.50531%0.313SS..Hα-helixtrans-64.9-42.5-178.7-79.780.1000111.6S20 A25 L26 F36S20-H22 VanDerWaalsContact C-N 3.3Å; S20-H22 PolarHBondContact O-N 2.91Å; H22-A25 PolarHBondContact O-N 3.33Å; H22-L26 VanDerWaalsContact O-CG 3.3Å; H22-L26 WeakPolarHBondContact O-CG 3.15Å; H22-L26 PolarHBondContact O-N 3.03Å; H22-L26 VanDerWaalsContact O-N 3.08Å; H22-F36 AromaticContact CD2-CZ 3.99Å; H22-F36 AromaticContact CE1-CE1 3.84Å; H22-F36 AromaticContact CE1-CZ 3.59Å; H22-F36 AromaticContact CG-CZ 3.9Å; H22-F36 AromaticContact ND1-CZ 3.65Å; H22-F36 AromaticContact NE2-CZ 3.81Å
23H87.7Confident89.7Confident71 Ų7165 Ų6533%0.32934%0.338SS..Hα-helixtrans-60.7-50.2-178.9-17576.1000111.8S20 L26 Q27 S64S20-H23 PolarHBondContact O-N 2.88Å; H23-L26 PolarHBondContact O-N 3.23Å; H23-Q27 PolarHBondContact CE1-NE2 2.93Å; H23-Q27 PolarHBondContact NE2-NE2 2.91Å; H23-S64 PolarHBondContact CE1-O 3.44Å; H23-S64 PolarHBondContact NE2-O 2.9Å
24L89.2Confident89.6Confident2 Ų259.7 Ų59.71%0.0131%0.313CS..Hα-helixtrans-69.7-37.3179.7-72-176.5000112.8I10 V19 S20 L26 Q27 S28 F31 F35 M61I10-L24 HydrophobicContact CD1-CD1 3.85Å; V19-L24 HydrophobicContact CB-CD1 3.79Å; V19-L24 HydrophobicContact CB-CG 4.4Å; V19-L24 HydrophobicContact CG1-CD1 4.16Å; V19-L24 HydrophobicContact CG2-CD1 3.53Å; S20-L24 PolarHBondContact O-N 2.73Å; L24-L26 VanDerWaalsContact C-N 3.26Å; L24-L26 PolarHBondContact O-N 3.24Å; L24-Q27 PolarHBondContact O-N 2.87Å; L24-Q27 VanDerWaalsContact O-N 3.11Å; L24-S28 PolarHBondContact O-N 3.37Å; L24-F31 HydrophobicContact CB-CB 3.92Å; L24-F31 HydrophobicContact CB-CD2 3.77Å; L24-F31 HydrophobicContact CB-CE2 4.48Å; L24-F31 HydrophobicContact CB-CG 3.85Å; L24-F31 HydrophobicContact CD1-CD1 4.37Å; L24-F31 HydrophobicContact CD1-CD2 4.19Å; L24-F31 HydrophobicContact CD1-CE1 4.33Å; L24-F31 HydrophobicContact CD1-CE2 4.16Å; L24-F31 HydrophobicContact CD1-CG 4.33Å; L24-F31 HydrophobicContact CD1-CZ 4.24Å; L24-F31 HydrophobicContact CD2-CD2 4.32Å; L24-F31 HydrophobicContact CD2-CE2 4.32Å; L24-F31 HydrophobicContact CG-CD2 4.32Å; L24-F35 HydrophobicContact CB-CE2 4.09Å; L24-F35 HydrophobicContact CD1-CE2 4.28Å; L24-M61 HydrophobicContact CD1-SD 4.22Å; L24-M61 HydrophobicContact CD2-CE 4.26Å; L24-M61 HydrophobicContact CD2-SD 4.21Å
25A90.2Very high89.7Confident10 Ų1056.9 Ų56.98%0.08328%0.283CS..Hα-helixtrans-66.4-26.3177.500000113.8R21 H22 Q27 R32 F36R21-A25 WeakPolarHBondContact O-CB 3.31Å; R21-A25 PolarHBondContact O-N 3.33Å; H22-A25 PolarHBondContact O-N 3.33Å; A25-Q27 VanDerWaalsContact C-N 3.32Å; A25-R32 HydrophobicContact CB-CB 3.97Å; A25-R32 HydrophobicContact CB-CG 4.39Å; A25-F36 HydrophobicContact CB-CD2 3.67Å; A25-F36 HydrophobicContact CB-CE2 3.46Å; A25-F36 VanDerWaalsContact CB-CE2 3.46Å
26L89.1Confident89.5Confident149 Ų14957.3 Ų57.378%0.7828%0.284SS*.Hα-helixtrans-71.1-30.9172.8-75.4167.8000112H22 H23 L24H22-L26 VanDerWaalsContact O-CG 3.3Å; H22-L26 WeakPolarHBondContact O-CG 3.15Å; H22-L26 PolarHBondContact O-N 3.03Å; H22-L26 VanDerWaalsContact O-N 3.08Å; H23-L26 PolarHBondContact O-N 3.23Å; L24-L26 VanDerWaalsContact C-N 3.26Å; L24-L26 PolarHBondContact O-N 3.24Å
27Q89.4Confident88.8Confident55 Ų5555.9 Ų55.926%0.25728%0.279SS..Hα-helixtrans-95.3-17.1-174.5-64.5-177.2-9.800113.5H23 L24 A25 L88H23-Q27 PolarHBondContact CE1-NE2 2.93Å; H23-Q27 PolarHBondContact NE2-NE2 2.91Å; L24-Q27 PolarHBondContact O-N 2.87Å; L24-Q27 VanDerWaalsContact O-N 3.11Å; A25-Q27 VanDerWaalsContact C-N 3.32Å; Q27-L88 HydrophobicContact CB-CD2 4.37Å
28S94.2Very high88Confident1 Ų161.7 Ų61.71%0.00732%0.321CS..  trans-144.8122.6-172.71590000111.2L24 Y30 F31 R32 L86L24-S28 PolarHBondContact O-N 3.37Å; S28-Y30 VanDerWaalsContact C-N 3.25Å; S28-Y30 PolarHBondContact O-N 2.81Å; S28-Y30 WeakPolarHBondContact OG-CB 3.41Å; S28-Y30 PolarHBondContact OG-N 3.11Å; S28-F31 VanDerWaalsContact CB-CD2 3.49Å; S28-F31 PolarHBondContact O-N 3.4Å; S28-F31 WeakPolarHBondContact OG-CD2 3.17Å; S28-F31 PolarHBondContact OG-N 2.93Å; S28-R32 PolarHBondContact O-N 2.79Å; S28-L86 WeakPolarHBondContact CB-O 3.48Å; S28-L86 PolarHBondContact OG-O 2.94Å
29P93.5Very high87.3Confident67 Ų6756 Ų5644%0.43531%0.309SS..Hα-helixtrans-63.8-30172.6-15.628.1000112.8R32 A33 Q87P29-R32 WeakPolarHBondContact O-CB 3.39Å; P29-R32 PolarHBondContact O-N 3.1Å; P29-A33 WeakPolarHBondContact O-CB 3.41Å; P29-A33 PolarHBondContact O-N 3.28Å; P29-Q87 WeakPolarHBondContact CD-O 3.48Å; P29-Q87 HydrophobicContact CG-CB 4.4Å
30Y93Very high86.4Confident58 Ų5860.2 Ų60.223%0.22733%0.334CS..Hα-helixtrans-58.7-52.8171.6174.9-89.7000111.2S28 R32 A33 L34 I49 F85 L86S28-Y30 VanDerWaalsContact C-N 3.25Å; S28-Y30 PolarHBondContact O-N 2.81Å; S28-Y30 WeakPolarHBondContact OG-CB 3.41Å; S28-Y30 PolarHBondContact OG-N 3.11Å; Y30-R32 VanDerWaalsContact C-N 3.28Å; Y30-R32 PolarHBondContact O-N 3.31Å; Y30-A33 PolarHBondContact O-N 3.21Å; Y30-L34 HydrophobicContact CE1-CD2 4.01Å; Y30-L34 WeakPolarHBondContact O-CB 3.2Å; Y30-L34 PolarHBondContact O-N 2.9Å; Y30-I49 HydrophobicContact CE1-CD1 4.41Å; Y30-F85 HydrophobicContact CE2-CE1 4.2Å; Y30-F85 HydrophobicContact CE2-CZ 4.38Å; Y30-L86 WeakPolarHBondContact CB-O 3.42Å; Y30-L86 HydrophobicContact CD1-CD2 3.8Å; Y30-L86 HydrophobicContact CE1-CD2 3.74Å
31F91.8Very high85.8Confident0 Ų062 Ų620%034%0.338CS..Hα-helixtrans-66.6-32178.7-73.2-53.8000112.3I10 L24 S28 L34 F35 I49 F57 M61 L86I10-F31 HydrophobicContact CD1-CE1 3.85Å; I10-F31 HydrophobicContact CD1-CZ 4.35Å; L24-F31 HydrophobicContact CB-CB 3.92Å; L24-F31 HydrophobicContact CB-CD2 3.77Å; L24-F31 HydrophobicContact CB-CE2 4.48Å; L24-F31 HydrophobicContact CB-CG 3.85Å; L24-F31 HydrophobicContact CD1-CD1 4.37Å; L24-F31 HydrophobicContact CD1-CD2 4.19Å; L24-F31 HydrophobicContact CD1-CE1 4.33Å; L24-F31 HydrophobicContact CD1-CE2 4.16Å; L24-F31 HydrophobicContact CD1-CG 4.33Å; L24-F31 HydrophobicContact CD1-CZ 4.24Å; L24-F31 HydrophobicContact CD2-CD2 4.32Å; L24-F31 HydrophobicContact CD2-CE2 4.32Å; L24-F31 HydrophobicContact CG-CD2 4.32Å; S28-F31 VanDerWaalsContact CB-CD2 3.49Å; S28-F31 PolarHBondContact O-N 3.4Å; S28-F31 WeakPolarHBondContact OG-CD2 3.17Å; S28-F31 PolarHBondContact OG-N 2.93Å; F31-L34 HydrophobicContact CD1-CD2 4Å; F31-L34 HydrophobicContact CE1-CD2 4.35Å; F31-L34 PolarHBondContact O-N 3.38Å; F31-F35 HydrophobicContact CB-CD2 4.08Å; F31-F35 HydrophobicContact CB-CE2 3.82Å; F31-F35 AromaticContact CD1-CE2 3.74Å; F31-F35 HydrophobicContact CD1-CE2 3.74Å; F31-F35 AromaticContact CD1-CZ 3.83Å; F31-F35 HydrophobicContact CD1-CZ 3.83Å; F31-F35 HydrophobicContact CE1-CZ 4.46Å; F31-F35 HydrophobicContact CG-CE2 4.05Å; F31-F35 WeakPolarHBondContact O-CB 3.41Å; F31-F35 WeakPolarHBondContact O-CD2 3.41Å; F31-F35 WeakPolarHBondContact O-CG 3.3Å; F31-F35 PolarHBondContact O-N 3.33Å; F31-I49 HydrophobicContact CE1-CD1 3.73Å; F31-I49 HydrophobicContact CZ-CD1 4.25Å; F31-F57 HydrophobicContact CZ-CE2 4.21Å; F31-F57 HydrophobicContact CZ-CZ 4.43Å; F31-M61 HydrophobicContact CE2-CE 4.14Å; F31-M61 HydrophobicContact CZ-CE 4.23Å; F31-L86 HydrophobicContact CE1-CD2 4.35Å; F31-L86 HydrophobicContact CE2-CB 4.46Å; F31-L86 HydrophobicContact CE2-CD1 4.32Å; F31-L86 HydrophobicContact CE2-CD2 4.3Å; F31-L86 HydrophobicContact CZ-CD1 4.17Å; F31-L86 HydrophobicContact CZ-CD2 3.79Å; F31-L86 HydrophobicContact CZ-CG 4.47Å
32R90.5Very high85.1Confident165 Ų16560.6 Ų60.662%0.62334%0.335SS*.Hα-helixtrans-61.5-47.4172.2-173175.8176.6148.5-1.1111.7A25 S28 P29 Y30 L34 F36 G37A25-R32 HydrophobicContact CB-CB 3.97Å; A25-R32 HydrophobicContact CB-CG 4.39Å; S28-R32 PolarHBondContact O-N 2.79Å; P29-R32 WeakPolarHBondContact O-CB 3.39Å; P29-R32 PolarHBondContact O-N 3.1Å; Y30-R32 VanDerWaalsContact C-N 3.28Å; Y30-R32 PolarHBondContact O-N 3.31Å; R32-L34 VanDerWaalsContact C-N 3.34Å; R32-F36 WeakPolarHBondContact O-CA 3.08Å; R32-F36 WeakPolarHBondContact O-CB 3.13Å; R32-F36 PolarHBondContact O-N 2.98Å; R32-G37 PolarHBondContact O-N 3.4Å
33A89.6Confident84.6Confident64 Ų6462.6 Ų62.653%0.52935%0.349SS..Hα-helixtrans-65.2-38.9176.100000111.7P29 Y30 G37P29-A33 WeakPolarHBondContact O-CB 3.41Å; P29-A33 PolarHBondContact O-N 3.28Å; Y30-A33 PolarHBondContact O-N 3.21Å; A33-G37 WeakPolarHBondContact O-CA 3.4Å; A33-G37 PolarHBondContact O-N 3.29Å
34L88.6Confident84.3Confident26 Ų2663.6 Ų63.614%0.13635%0.352CS..Hα-helixtrans-65.2-47.5179.3-171.866.3000112.3Y30 F31 R32 E41 S42 V47Y30-L34 HydrophobicContact CE1-CD2 4.01Å; Y30-L34 WeakPolarHBondContact O-CB 3.2Å; Y30-L34 PolarHBondContact O-N 2.9Å; F31-L34 HydrophobicContact CD1-CD2 4Å; F31-L34 HydrophobicContact CE1-CD2 4.35Å; F31-L34 PolarHBondContact O-N 3.38Å; R32-L34 VanDerWaalsContact C-N 3.34Å; L34-E41 HydrophobicContact CD1-CB 3.76Å; L34-E41 HydrophobicContact CD1-CG 3.94Å; L34-S42 WeakPolarHBondContact O-CA 3.29Å; L34-S42 PolarHBondContact O-N 2.97Å; L34-S42 PolarHBondContact O-OG 2.79Å; L34-V47 HydrophobicContact CD1-CG1 4.16Å; L34-V47 HydrophobicContact CD2-CG1 3.96Å; L34-V47 HydrophobicContact CG-CG1 4.31Å
35F87.8Confident83.9Confident4 Ų471.3 Ų71.32%0.01838%0.381CS..Hα-helixtrans-90.6-29.8-173.1-60.1-38.6000114.7V8 I10 R21 L24 F31 S42V8-F35 HydrophobicContact CB-CE1 4.41Å; V8-F35 HydrophobicContact CG1-CE1 3.77Å; V8-F35 HydrophobicContact CG1-CE2 4.37Å; V8-F35 HydrophobicContact CG1-CZ 3.69Å; V8-F35 HydrophobicContact CG2-CE1 4.05Å; I10-F35 HydrophobicContact CD1-CZ 4.07Å; I10-F35 HydrophobicContact CG1-CZ 4.46Å; R21-F35 HydrophobicContact CB-CB 4.09Å; R21-F35 HydrophobicContact CB-CD2 3.86Å; R21-F35 HydrophobicContact CB-CE2 4.48Å; R21-F35 HydrophobicContact CB-CG 3.94Å; R21-F35 HydrophobicContact CG-CB 4.15Å; R21-F35 HydrophobicContact CG-CD1 3.95Å; R21-F35 HydrophobicContact CG-CD2 4.01Å; R21-F35 HydrophobicContact CG-CE1 4.39Å; R21-F35 HydrophobicContact CG-CE2 4.43Å; R21-F35 HydrophobicContact CG-CG 3.76Å; L24-F35 HydrophobicContact CB-CE2 4.09Å; L24-F35 HydrophobicContact CD1-CE2 4.28Å; F31-F35 HydrophobicContact CB-CD2 4.08Å; F31-F35 HydrophobicContact CB-CE2 3.82Å; F31-F35 AromaticContact CD1-CE2 3.74Å; F31-F35 HydrophobicContact CD1-CE2 3.74Å; F31-F35 AromaticContact CD1-CZ 3.83Å; F31-F35 HydrophobicContact CD1-CZ 3.83Å; F31-F35 HydrophobicContact CE1-CZ 4.46Å; F31-F35 HydrophobicContact CG-CE2 4.05Å; F31-F35 WeakPolarHBondContact O-CB 3.41Å; F31-F35 WeakPolarHBondContact O-CD2 3.41Å; F31-F35 WeakPolarHBondContact O-CG 3.3Å; F31-F35 PolarHBondContact O-N 3.33Å; F35-S42 WeakPolarHBondContact O-CB 3.33Å
36F85.1Confident83.7Confident98 Ų9876.5 Ų76.543%0.4340%0.404SS..Hα-helixtrans-123.64.7-175-57.1-75.8000113.2R21 H22 A25 R32R21-F36 HydrophobicContact CB-CE2 4.39Å; R21-F36 HydrophobicContact CB-CZ 4.18Å; H22-F36 AromaticContact CD2-CZ 3.99Å; H22-F36 AromaticContact CE1-CE1 3.84Å; H22-F36 AromaticContact CE1-CZ 3.59Å; H22-F36 AromaticContact CG-CZ 3.9Å; H22-F36 AromaticContact ND1-CZ 3.65Å; H22-F36 AromaticContact NE2-CZ 3.81Å; A25-F36 HydrophobicContact CB-CD2 3.67Å; A25-F36 HydrophobicContact CB-CE2 3.46Å; A25-F36 VanDerWaalsContact CB-CE2 3.46Å; R32-F36 WeakPolarHBondContact O-CA 3.08Å; R32-F36 WeakPolarHBondContact O-CB 3.13Å; R32-F36 PolarHBondContact O-N 2.98Å
37G77.1Confident83.7Confident28 Ų2869.6 Ų69.629%0.28937%0.368SS..SBendtrans-69.9167165.200000111.4R32 A33 G39 S42R32-G37 PolarHBondContact O-N 3.4Å; A33-G37 WeakPolarHBondContact O-CA 3.4Å; A33-G37 PolarHBondContact O-N 3.29Å; G37-G39 PolarHBondContact O-N 3.36Å; G37-S42 VanDerWaalsContact O-CB 3.32Å; G37-S42 WeakPolarHBondContact O-CB 3.44Å; G37-S42 PolarHBondContact O-OG 3.41Å
38C72.6Confident83.7Confident151 Ų15172.7 Ų72.7100%1.0238%0.382SS*.SBendtrans-77.530173.2-61.10000112.4
39G74.3Confident83.5Confident32 Ų3272.9 Ų72.933%0.3338%0.383SS..SBendtrans-86.9166.6-175.300000113.3G37 E41 S42G37-G39 PolarHBondContact O-N 3.36Å; G39-E41 VanDerWaalsContact C-N 3.26Å; G39-E41 PolarHBondContact O-N 3.08Å; G39-S42 WeakPolarHBondContact O-CB 3.46Å; G39-S42 PolarHBondContact O-N 3.11Å; G39-S42 PolarHBondContact O-OG 3.33Å
40V70.6Confident83.3Confident102 Ų10276.5 Ų76.562%0.61839%0.392SS*.SBendtrans-70.1-30.2179-1710000110.6S42V40-S42 VanDerWaalsContact C-N 3.29Å; V40-S42 PolarHBondContact O-N 3.04Å
41E74.5Confident83Confident72 Ų7277.4 Ų77.434%0.33642%0.419SS..G310 helixtrans-66.7-28.9179.9-68.760.8-132.500112.4L34 G39 N43 K44L34-E41 HydrophobicContact CD1-CB 3.76Å; L34-E41 HydrophobicContact CD1-CG 3.94Å; G39-E41 VanDerWaalsContact C-N 3.26Å; G39-E41 PolarHBondContact O-N 3.08Å; E41-N43 PolarHBondContact O-N 2.98Å; E41-K44 PolarHBondContact O-N 3Å; E41-K44 IonicContact OE1-NZ 3.81Å; E41-K44 PolarHBondContact OE1-NZ 3.44Å
42S72.5Confident83.1Confident9 Ų977.9 Ų77.96%0.06342%0.421CS..G310 helixtrans-65.4-26-175.3-46.40000112.5R21 L34 F35 G37 G39 V40R21-S42 PolarHBondContact NH1-O 3.4Å; R21-S42 PolarHBondContact NH2-O 3.49Å; L34-S42 WeakPolarHBondContact O-CA 3.29Å; L34-S42 PolarHBondContact O-N 2.97Å; L34-S42 PolarHBondContact O-OG 2.79Å; F35-S42 WeakPolarHBondContact O-CB 3.33Å; G37-S42 VanDerWaalsContact O-CB 3.32Å; G37-S42 WeakPolarHBondContact O-CB 3.44Å; G37-S42 PolarHBondContact O-OG 3.41Å; G39-S42 WeakPolarHBondContact O-CB 3.46Å; G39-S42 PolarHBondContact O-N 3.11Å; G39-S42 PolarHBondContact O-OG 3.33Å; V40-S42 VanDerWaalsContact C-N 3.29Å; V40-S42 PolarHBondContact O-N 3.04Å
43N74.6Confident83.3Confident151 Ų15174.5 Ų74.581%0.80741%0.413SS*.G310 helixtrans-94.4-6.3176.3-67.7-30.5000113.8E41E41-N43 PolarHBondContact O-N 2.98Å
44K81.5Confident83.5Confident91 Ų9172.8 Ų72.840%0.39639%0.394SS..  trans-88.4135.8-177.2-68.4177.9-174.8161.50112.2R21 E41 H46 V47R21-K44 PolarHBondContact NH2-O 2.94Å; E41-K44 PolarHBondContact O-N 3Å; E41-K44 IonicContact OE1-NZ 3.81Å; E41-K44 PolarHBondContact OE1-NZ 3.44Å; K44-H46 WeakPolarHBondContact CB-O 3.47Å; K44-V47 HydrophobicContact CB-CG2 4.35Å
45R81.8Confident83.8Confident164 Ų16477.1 Ų77.162%0.61941%0.414SS*.SBendtrans-76.2-27172.4-166.5174.4-176.3-172.7-1.2112.9V8 I9V8-R45 WeakPolarHBondContact CG2-O 3.37Å; I9-R45 PolarHBondContact N-O 2.91Å
46H85.8Confident84.1Confident120 Ų12077.5 Ų77.556%0.55642%0.416SS*.EExtended strand (participates in β ladder)trans-114.4122.8175.8-64.7-100.2000109.3I9 K44I9-H46 WeakPolarHBondContact CD1-CE1 3.39Å; I9-H46 CarbonylContact O-C 3.44Å; I9-H46 WeakPolarHBondContact O-CA 3.3Å; K44-H46 WeakPolarHBondContact CB-O 3.47Å
47V89.2Confident84.6Confident4 Ų472.9 Ų72.92%0.02440%0.396CS..EExtended strand (participates in β ladder)trans-123.9125.3179.8-177.60000108.3V8 I9 I10 N11 L34 K44V8-V47 HydrophobicContact CG2-CG2 3.88Å; I9-V47 PolarHBondContact O-N 2.96Å; I10-V47 CarbonylContact C-O 3.6Å; I10-V47 VanDerWaalsContact CA-O 3.3Å; I10-V47 WeakPolarHBondContact CA-O 3.32Å; N11-V47 PolarHBondContact N-O 2.86Å; L34-V47 HydrophobicContact CD1-CG1 4.16Å; L34-V47 HydrophobicContact CD2-CG1 3.96Å; L34-V47 HydrophobicContact CG-CG1 4.31Å; K44-V47 HydrophobicContact CB-CG2 4.35Å
48E90Very high85.4Confident120 Ų12075 Ų7556%0.56140%0.397SS*.EExtended strand (participates in β ladder)trans-95.3128.1176.3-172-173.2-17200108.9N11 K50N11-E48 WeakPolarHBondContact O-CA 2.95Å; E48-K50 HydrophobicContact CG-CG 4.36Å; E48-K50 WeakPolarHBondContact OE1-CE 3.16Å; E48-K50 IonicContact OE1-NZ 3.4Å; E48-K50 WeakPolarHBondContact OE2-CE 3.36Å; E48-K50 IonicContact OE2-NZ 3.46Å; E48-K50 PolarHBondContact OE2-NZ 3.45Å
49I90.4Very high86.5Confident5 Ų569.8 Ų69.83%0.02636%0.36CS..  trans-106.7127.5173.7-58.7176.9000108I10 N11 V12 Y30 F31 V52 F57 F85I10-I49 HydrophobicContact CD1-CD1 4.3Å; I10-I49 HydrophobicContact CG2-CD1 3.49Å; I10-I49 VanDerWaalsContact CG2-CD1 3.49Å; I10-I49 HydrophobicContact CG2-CG1 3.84Å; N11-I49 PolarHBondContact O-N 2.78Å; V12-I49 HydrophobicContact CG2-CB 4.22Å; Y30-I49 HydrophobicContact CE1-CD1 4.41Å; F31-I49 HydrophobicContact CE1-CD1 3.73Å; F31-I49 HydrophobicContact CZ-CD1 4.25Å; I49-V52 HydrophobicContact CG2-CG1 4.42Å; I49-V52 HydrophobicContact CG2-CG2 3.82Å; I49-F57 HydrophobicContact CD1-CE2 4.06Å; I49-F57 HydrophobicContact CD1-CZ 4.28Å; I49-F85 HydrophobicContact CG2-CE1 4.02Å
50K89.1Confident87.5Confident143 Ų14368.2 Ų68.262%0.62234%0.344SS*.  trans-113.6152.9-179.9-61.6-176.7-179.3-179.40109.8E48E48-K50 HydrophobicContact CG-CG 4.36Å; E48-K50 WeakPolarHBondContact OE1-CE 3.16Å; E48-K50 IonicContact OE1-NZ 3.4Å; E48-K50 WeakPolarHBondContact OE2-CE 3.36Å; E48-K50 IonicContact OE2-NZ 3.46Å; E48-K50 PolarHBondContact OE2-NZ 3.45Å
51G86.6Confident88.6Confident77 Ų7763.7 Ų63.779%0.79432%0.316SS*.SBendtrans85.414.6177.900000114.6
52V93.5Very high89.4Confident9 Ų966.1 Ų66.16%0.05533%0.328CS..SBendtrans-126.9139.4173.4-61.50000109.5V12 I49 F57 T82 F85V12-V52 HydrophobicContact CG1-CG2 3.8Å; V12-V52 HydrophobicContact CG2-CG2 4.32Å; I49-V52 HydrophobicContact CG2-CG1 4.42Å; I49-V52 HydrophobicContact CG2-CG2 3.82Å; V52-F57 HydrophobicContact CG2-CD2 4.05Å; V52-T82 HydrophobicContact CB-CG2 4Å; V52-T82 HydrophobicContact CG1-CG2 3.92Å; V52-F85 HydrophobicContact CG1-CD1 3.4Å; V52-F85 VanDerWaalsContact CG1-CD1 3.4Å; V52-F85 HydrophobicContact CG1-CE1 3.72Å; V52-F85 HydrophobicContact CG1-CG 4.11Å
53E93.6Very high90.4Very high94 Ų9466.7 Ų66.744%0.43933%0.329SS..  trans-76.6137.9175.6-65.8-175.9-170.200110.9Q55 H56 F57E53-Q55 VanDerWaalsContact C-N 3.28Å; E53-Q55 HydrophobicContact CB-CG 4.26Å; E53-Q55 PolarHBondContact O-N 3.27Å; E53-Q55 PolarHBondContact OE2-NE2 3.26Å; E53-H56 PolarHBondContact O-N 2.9Å; E53-H56 IonicContact OE2-CE1 3.06Å; E53-H56 PolarHBondContact OE2-CE1 3.46Å; E53-H56 IonicContact OE2-ND1 3.82Å; E53-H56 PolarHBondContact OE2-ND1 2.97Å; E53-F57 PolarHBondContact O-N 3.44Å; E53-F57 VanDerWaalsContact O-N 3.09Å
54L94.3Very high91.1Very high28 Ų2859.8 Ų59.815%0.14729%0.292CS..Hα-helixtrans-57.5-39.7-177179.260.1000113.2V12 E13 E15 F17 F57 K58V12-L54 HydrophobicContact CB-CD1 4.19Å; V12-L54 HydrophobicContact CG1-CB 4.44Å; V12-L54 HydrophobicContact CG1-CD1 4.19Å; E13-L54 HydrophobicContact CB-CB 4.2Å; E13-L54 HydrophobicContact CG-CB 4.43Å; E13-L54 WeakPolarHBondContact OE2-CB 3.46Å; E13-L54 PolarHBondContact OE2-N 2.58Å; E15-L54 HydrophobicContact CB-CD1 3.85Å; E15-L54 HydrophobicContact CB-CD2 4.13Å; E15-L54 HydrophobicContact CG-CD2 3.97Å; F17-L54 HydrophobicContact CE2-CD1 3.68Å; F17-L54 HydrophobicContact CZ-CD1 3.67Å; L54-F57 PolarHBondContact O-N 3.29Å; L54-K58 HydrophobicContact CD1-CD 4.32Å; L54-K58 HydrophobicContact CD1-CG 4.23Å; L54-K58 HydrophobicContact CG-CD 4.17Å; L54-K58 HydrophobicContact CG-CG 4.49Å; L54-K58 WeakPolarHBondContact O-CB 3.44Å; L54-K58 VanDerWaalsContact O-CG 3.29Å; L54-K58 WeakPolarHBondContact O-CG 3.27Å; L54-K58 PolarHBondContact O-N 2.95Å
55Q94.7Very high91.5Very high118 Ų11862.5 Ų62.555%0.55130%0.304SS*.Hα-helixtrans-61.8-46.2-177.658.9178.9-4.700112.5E53 K58 V59E53-Q55 VanDerWaalsContact C-N 3.28Å; E53-Q55 HydrophobicContact CB-CG 4.26Å; E53-Q55 PolarHBondContact O-N 3.27Å; E53-Q55 PolarHBondContact OE2-NE2 3.26Å; Q55-K58 PolarHBondContact O-N 2.65Å; Q55-V59 WeakPolarHBondContact O-CG2 3.36Å; Q55-V59 PolarHBondContact O-N 2.97Å
56H95.3Very high91.9Very high12 Ų1257.9 Ų57.96%0.05629%0.294CS..Hα-helixtrans-74.2-37.2-178.6-57.1129.1000111.1E53 K58 V59 L60 G78 I79 T82E53-H56 PolarHBondContact O-N 2.9Å; E53-H56 IonicContact OE2-CE1 3.06Å; E53-H56 PolarHBondContact OE2-CE1 3.46Å; E53-H56 IonicContact OE2-ND1 3.82Å; E53-H56 PolarHBondContact OE2-ND1 2.97Å; H56-K58 VanDerWaalsContact C-N 3.35Å; H56-K58 PolarHBondContact O-N 3.29Å; H56-V59 PolarHBondContact O-N 2.78Å; H56-L60 WeakPolarHBondContact O-CG 3.44Å; H56-L60 PolarHBondContact O-N 2.89Å; H56-L60 VanDerWaalsContact O-N 3.1Å; H56-G78 VanDerWaalsContact CG-C 3.49Å; H56-I79 HydrophobicContact CB-CG1 4.25Å; H56-T82 HydrophobicContact CB-CG2 4.45Å; H56-T82 WeakPolarHBondContact CB-OG1 3.48Å
57F95.4Very high92.1Very high0 Ų057.8 Ų57.80%029%0.294CS..Hα-helixtrans-60.1-44.2173.4-169.8-92.5000111.8I10 V12 F17 F31 I49 V52 E53 L54 V59 L60 M61 L86I10-F57 HydrophobicContact CD1-CZ 4.27Å; I10-F57 HydrophobicContact CG2-CE1 4.28Å; I10-F57 HydrophobicContact CG2-CZ 3.88Å; V12-F57 HydrophobicContact CB-CD1 4.37Å; V12-F57 HydrophobicContact CG1-CB 4.4Å; V12-F57 HydrophobicContact CG1-CG 4.47Å; V12-F57 HydrophobicContact CG2-CD1 3.76Å; V12-F57 HydrophobicContact CG2-CD2 4.13Å; V12-F57 HydrophobicContact CG2-CE1 3.81Å; V12-F57 HydrophobicContact CG2-CE2 4.19Å; V12-F57 HydrophobicContact CG2-CG 3.94Å; V12-F57 HydrophobicContact CG2-CZ 4.04Å; F17-F57 HydrophobicContact CD1-CE1 4.36Å; F17-F57 HydrophobicContact CD2-CD1 4.07Å; F17-F57 AromaticContact CD2-CE1 3.79Å; F17-F57 HydrophobicContact CD2-CE1 3.79Å; F17-F57 HydrophobicContact CE1-CD1 4.38Å; F17-F57 AromaticContact CE2-CD1 3.87Å; F17-F57 HydrophobicContact CE2-CD1 3.87Å; F17-F57 HydrophobicContact CE2-CE1 4.08Å; F17-F57 HydrophobicContact CG-CD1 4.43Å; F17-F57 AromaticContact CG-CE1 3.96Å; F17-F57 HydrophobicContact CG-CE1 3.96Å; F17-F57 HydrophobicContact CZ-CD1 4.04Å; F17-F57 HydrophobicContact CZ-CE1 4.49Å; F31-F57 HydrophobicContact CZ-CE2 4.21Å; F31-F57 HydrophobicContact CZ-CZ 4.43Å; I49-F57 HydrophobicContact CD1-CE2 4.06Å; I49-F57 HydrophobicContact CD1-CZ 4.28Å; V52-F57 HydrophobicContact CG2-CD2 4.05Å; E53-F57 PolarHBondContact O-N 3.44Å; E53-F57 VanDerWaalsContact O-N 3.09Å; L54-F57 PolarHBondContact O-N 3.29Å; F57-V59 VanDerWaalsContact C-N 3.34Å; F57-V59 PolarHBondContact O-N 2.95Å; F57-L60 PolarHBondContact O-N 3.02Å; F57-M61 HydrophobicContact CD1-CG 3.68Å; F57-M61 HydrophobicContact CE1-CE 4.28Å; F57-M61 HydrophobicContact CE1-CG 3.29Å; F57-M61 HydrophobicContact CE1-SD 3.81Å; F57-M61 HydrophobicContact CE2-CE 4.01Å; F57-M61 HydrophobicContact CE2-SD 4.49Å; F57-M61 HydrophobicContact CG-CG 4.47Å; F57-M61 HydrophobicContact CZ-CE 3.81Å; F57-M61 HydrophobicContact CZ-CG 3.8Å; F57-M61 HydrophobicContact CZ-SD 3.7Å; F57-M61 WeakPolarHBondContact O-CG 3.49Å; F57-M61 PolarHBondContact O-N 3.46Å; F57-L86 HydrophobicContact CD2-CD1 3.79Å; F57-L86 HydrophobicContact CE2-CD1 3.74Å; F57-L86 HydrophobicContact CE2-CD2 4.45Å
58K94.4Very high92.1Very high74 Ų7467.4 Ų67.432%0.32233%0.33SS..Hα-helixtrans-55-48.7175.9-80.8176.3175.2-179.10111.8E15 F17 L54 Q55 H56 L60 M61 E62E15-K58 IonicContact OE1-NZ 3.53Å; E15-K58 PolarHBondContact OE1-NZ 3.46Å; E15-K58 WeakPolarHBondContact OE2-CE 3.48Å; E15-K58 IonicContact OE2-NZ 2.75Å; E15-K58 PolarHBondContact OE2-NZ 3.3Å; F17-K58 HydrophobicContact CE1-CG 3.68Å; F17-K58 HydrophobicContact CZ-CD 4.37Å; F17-K58 HydrophobicContact CZ-CG 3.47Å; F17-K58 VanDerWaalsContact CZ-CG 3.47Å; L54-K58 HydrophobicContact CD1-CD 4.32Å; L54-K58 HydrophobicContact CD1-CG 4.23Å; L54-K58 HydrophobicContact CG-CD 4.17Å; L54-K58 HydrophobicContact CG-CG 4.49Å; L54-K58 WeakPolarHBondContact O-CB 3.44Å; L54-K58 VanDerWaalsContact O-CG 3.29Å; L54-K58 WeakPolarHBondContact O-CG 3.27Å; L54-K58 PolarHBondContact O-N 2.95Å; Q55-K58 PolarHBondContact O-N 2.65Å; H56-K58 VanDerWaalsContact C-N 3.35Å; H56-K58 PolarHBondContact O-N 3.29Å; K58-L60 PolarHBondContact O-N 3.43Å; K58-M61 PolarHBondContact O-N 3.14Å; K58-E62 PolarHBondContact O-N 3.3Å
59V95.5Very high92.2Very high40 Ų4063.2 Ų63.224%0.24231%0.311CS..Hα-helixtrans-60.8-43.9179.7173.80000111.3Q55 H56 F57 M61 E62 Y63 L69 I79Q55-V59 WeakPolarHBondContact O-CG2 3.36Å; Q55-V59 PolarHBondContact O-N 2.97Å; H56-V59 PolarHBondContact O-N 2.78Å; F57-V59 VanDerWaalsContact C-N 3.34Å; F57-V59 PolarHBondContact O-N 2.95Å; V59-M61 PolarHBondContact O-N 2.93Å; V59-E62 PolarHBondContact O-N 3.25Å; V59-Y63 WeakPolarHBondContact O-CB 3.28Å; V59-Y63 PolarHBondContact O-N 2.92Å; V59-L69 HydrophobicContact CG1-CD1 3.63Å; V59-I79 HydrophobicContact CB-CD1 4.43Å; V59-I79 HydrophobicContact CG1-CD1 3.87Å
60L95.3Very high92.2Very high0 Ų067.6 Ų67.60%033%0.334CS..Hα-helixtrans-67.7-35.3178-69.1170.8000112.8H56 F57 K58 Y63 S64 L69 I79 T82 A83 L86 L88 P91H56-L60 WeakPolarHBondContact O-CG 3.44Å; H56-L60 PolarHBondContact O-N 2.89Å; H56-L60 VanDerWaalsContact O-N 3.1Å; F57-L60 PolarHBondContact O-N 3.02Å; K58-L60 PolarHBondContact O-N 3.43Å; L60-Y63 PolarHBondContact O-N 3.46Å; L60-S64 PolarHBondContact O-N 3.46Å; L60-L69 HydrophobicContact CD2-CD1 4.43Å; L60-I79 HydrophobicContact CD2-CG2 3.9Å; L60-I79 HydrophobicContact CG-CG2 4.3Å; L60-T82 HydrophobicContact CD1-CG2 3.58Å; L60-A83 HydrophobicContact CD1-CB 4.18Å; L60-A83 HydrophobicContact CD2-CB 4.2Å; L60-L86 HydrophobicContact CD1-CD1 4.3Å; L60-L88 HydrophobicContact CB-CD1 4.15Å; L60-L88 HydrophobicContact CD1-CD1 4.14Å; L60-L88 HydrophobicContact CD2-CD1 4.2Å; L60-L88 HydrophobicContact CG-CD1 4.4Å; L60-P91 HydrophobicContact CD2-CB 3.59Å; L60-P91 HydrophobicContact CD2-CG 3.97Å
61M92.7Very high92.4Very high6 Ų661.9 Ų61.93%0.0331%0.31CS..Hα-helixtrans-69.1-36.3174.2-68.9-55.9100.400112F17 V19 L24 F31 F57 K58 V59 S64F17-M61 HydrophobicContact CD1-CB 4.4Å; F17-M61 HydrophobicContact CD1-CG 4.2Å; V19-M61 HydrophobicContact CG1-SD 4.29Å; L24-M61 HydrophobicContact CD1-SD 4.22Å; L24-M61 HydrophobicContact CD2-CE 4.26Å; L24-M61 HydrophobicContact CD2-SD 4.21Å; F31-M61 HydrophobicContact CE2-CE 4.14Å; F31-M61 HydrophobicContact CZ-CE 4.23Å; F57-M61 HydrophobicContact CD1-CG 3.68Å; F57-M61 HydrophobicContact CE1-CE 4.28Å; F57-M61 HydrophobicContact CE1-CG 3.29Å; F57-M61 HydrophobicContact CE1-SD 3.81Å; F57-M61 HydrophobicContact CE2-CE 4.01Å; F57-M61 HydrophobicContact CE2-SD 4.49Å; F57-M61 HydrophobicContact CG-CG 4.47Å; F57-M61 HydrophobicContact CZ-CE 3.81Å; F57-M61 HydrophobicContact CZ-CG 3.8Å; F57-M61 HydrophobicContact CZ-SD 3.7Å; F57-M61 WeakPolarHBondContact O-CG 3.49Å; F57-M61 PolarHBondContact O-N 3.46Å; K58-M61 PolarHBondContact O-N 3.14Å; V59-M61 PolarHBondContact O-N 2.93Å; M61-S64 PolarHBondContact O-N 2.94Å; M61-S64 PolarHBondContact O-OG 3.25Å
62E92.2Very high92.8Very high124 Ų12463.1 Ų63.158%0.57929%0.294SS*.Hα-helixtrans-66.3-45.2172.5-173.8169.9-171.700111.3K58 V59 S64 K65 T66K58-E62 PolarHBondContact O-N 3.3Å; V59-E62 PolarHBondContact O-N 3.25Å; E62-S64 VanDerWaalsContact C-N 3.26Å; E62-S64 PolarHBondContact O-N 3.41Å; E62-K65 WeakPolarHBondContact O-CA 3.29Å; E62-K65 WeakPolarHBondContact O-CB 3.46Å; E62-K65 PolarHBondContact O-N 3.48Å; E62-T66 HydrophobicContact CG-CG2 4.13Å; E62-T66 PolarHBondContact O-N 2.97Å; E62-T66 PolarHBondContact O-OG1 3.5Å
63Y93Very high92.8Very high21 Ų2171.7 Ų71.78%0.08233%0.325CS..Hα-helixtrans-54.3-42.2173170.1-94.4000112.1V59 L60 K65 T66 H67 L69 R90 P91 L94V59-Y63 WeakPolarHBondContact O-CB 3.28Å; V59-Y63 PolarHBondContact O-N 2.92Å; L60-Y63 PolarHBondContact O-N 3.46Å; Y63-K65 PolarHBondContact O-N 3.09Å; Y63-T66 PolarHBondContact O-N 3.25Å; Y63-H67 VanDerWaalsContact O-CA 3.28Å; Y63-H67 WeakPolarHBondContact O-CA 3.34Å; Y63-H67 PolarHBondContact O-N 3.47Å; Y63-L69 HydrophobicContact CD2-CB 3.81Å; Y63-L69 HydrophobicContact CD2-CD1 4.4Å; Y63-L69 HydrophobicContact CE2-CB 4.33Å; Y63-L69 HydrophobicContact CG-CD1 4.37Å; Y63-R90 WeakPolarHBondContact OH-CG 3.16Å; Y63-P91 HydrophobicContact CD1-CG 3.59Å; Y63-P91 HydrophobicContact CE1-CG 3.41Å; Y63-P91 VanDerWaalsContact CE1-CG 3.41Å; Y63-P91 HydrophobicContact CG-CG 4.37Å; Y63-L94 HydrophobicContact CE2-CD1 4.22Å
64S89.6Confident92.8Very high5 Ų576.1 Ų76.14%0.03535%0.346CS..Hα-helixtrans-58.1-22.7178.579.80000113.3H23 L60 M61 E62H23-S64 PolarHBondContact CE1-O 3.44Å; H23-S64 PolarHBondContact NE2-O 2.9Å; L60-S64 PolarHBondContact O-N 3.46Å; M61-S64 PolarHBondContact O-N 2.94Å; M61-S64 PolarHBondContact O-OG 3.25Å; E62-S64 VanDerWaalsContact C-N 3.26Å; E62-S64 PolarHBondContact O-N 3.41Å
65K88.3Confident92.8Very high149 Ų14976.2 Ų76.265%0.64835%0.346SS*.Hα-helixtrans-97.4-39.8179.1-61.8175.4-177.8176.70112.9E62 Y63E62-K65 WeakPolarHBondContact O-CA 3.29Å; E62-K65 WeakPolarHBondContact O-CB 3.46Å; E62-K65 PolarHBondContact O-N 3.48Å; Y63-K65 PolarHBondContact O-N 3.09Å
66T90.9Very high92.9Very high66 Ų6670.7 Ų70.741%0.40532%0.321SS..Hα-helixtrans-101-17.9-170.8640000113.6E62 Y63 R68E62-T66 HydrophobicContact CG-CG2 4.13Å; E62-T66 PolarHBondContact O-N 2.97Å; E62-T66 PolarHBondContact O-OG1 3.5Å; Y63-T66 PolarHBondContact O-N 3.25Å; T66-R68 PolarHBondContact O-N 3.33Å; T66-R68 PolarHBondContact OG1-N 3.47Å; T66-R68 PolarHBondContact OG1-O 3.33Å
67H89.2Confident93Very high119 Ų11973.3 Ų73.355%0.55134%0.335SS*.  trans56.320.3-167.8-61-69.9000114.4Y63Y63-H67 VanDerWaalsContact O-CA 3.28Å; Y63-H67 WeakPolarHBondContact O-CA 3.34Å; Y63-H67 PolarHBondContact O-N 3.47Å
68R89.4Confident93Very high206 Ų20673.9 Ų73.978%0.77734%0.341SS*.  trans-116.4129.9177-62.7-175.271.2-170.71110T66T66-R68 PolarHBondContact O-N 3.33Å; T66-R68 PolarHBondContact OG1-N 3.47Å; T66-R68 PolarHBondContact OG1-O 3.33Å
69L92.6Very high93.2Very high31 Ų3170.4 Ų70.416%0.16233%0.326CS..  trans-119.3114.1-178.5-167.664.8000109V59 L60 Y63 L71 I79 P91 L94V59-L69 HydrophobicContact CG1-CD1 3.63Å; L60-L69 HydrophobicContact CD2-CD1 4.43Å; Y63-L69 HydrophobicContact CD2-CB 3.81Å; Y63-L69 HydrophobicContact CD2-CD1 4.4Å; Y63-L69 HydrophobicContact CE2-CB 4.33Å; Y63-L69 HydrophobicContact CG-CD1 4.37Å; L69-L71 HydrophobicContact CD2-CD1 4.16Å; L69-L71 HydrophobicContact CD2-CD2 3.71Å; L69-L71 HydrophobicContact CD2-CG 4.01Å; L69-L71 HydrophobicContact CG-CD2 3.76Å; L69-L71 HydrophobicContact CG-CG 3.95Å; L69-L71 PolarHBondContact O-N 2.94Å; L69-I79 HydrophobicContact CD1-CG2 4.4Å; L69-P91 HydrophobicContact CD2-CB 4.13Å; L69-L94 HydrophobicContact CB-CD1 4.27Å; L69-L94 HydrophobicContact CD2-CB 4.11Å; L69-L94 HydrophobicContact CD2-CD1 4.13Å
70D90.4Very high93.2Very high97 Ų9768.5 Ų68.552%0.51931%0.314SS..  trans-85.894.5177.9-175.627.6000109.9K72 N75D70-K72 WeakPolarHBondContact OD2-CE 3.12Å; D70-K72 IonicContact OD2-NZ 2.69Å; D70-K72 PolarHBondContact OD2-NZ 3.03Å; D70-N75 PolarHBondContact O-ND2 3.4Å
71L93.9Very high93.3Very high24 Ų2472.7 Ų72.713%0.12633%0.334CS..  trans-93131.4-178.5-65.4179.1000111.4L69 V76 I79 L94 F98L69-L71 HydrophobicContact CD2-CD1 4.16Å; L69-L71 HydrophobicContact CD2-CD2 3.71Å; L69-L71 HydrophobicContact CD2-CG 4.01Å; L69-L71 HydrophobicContact CG-CD2 3.76Å; L69-L71 HydrophobicContact CG-CG 3.95Å; L69-L71 PolarHBondContact O-N 2.94Å; L71-V76 HydrophobicContact CD2-CG2 4.36Å; L71-I79 HydrophobicContact CD2-CD1 4.02Å; L71-I79 HydrophobicContact CD2-CG2 4.43Å; L71-L94 HydrophobicContact CD1-CB 4.14Å; L71-L94 WeakPolarHBondContact CD1-O 3.4Å; L71-F98 HydrophobicContact CB-CD2 3.67Å; L71-F98 HydrophobicContact CB-CE2 3.99Å; L71-F98 HydrophobicContact CB-CG 4.03Å; L71-F98 HydrophobicContact CD1-CB 3.74Å; L71-F98 HydrophobicContact CD1-CD2 4.3Å; L71-F98 HydrophobicContact CD1-CG 4.17Å; L71-F98 WeakPolarHBondContact O-CE2 3.43Å
72K94.1Very high93.5Very high103 Ų10372.8 Ų72.845%0.44834%0.335SS..  trans-135.1156.6177.7-63.8175.5-175.4149.40109.1D70 E74 N75 V76D70-K72 WeakPolarHBondContact OD2-CE 3.12Å; D70-K72 IonicContact OD2-NZ 2.69Å; D70-K72 PolarHBondContact OD2-NZ 3.03Å; K72-E74 PolarHBondContact O-N 2.92Å; K72-E74 VanDerWaalsContact O-N 3.08Å; K72-N75 PolarHBondContact N-OD1 2.84Å; K72-N75 PolarHBondContact O-N 3.45Å; K72-N75 VanDerWaalsContact O-N 3.13Å; K72-N75 PolarHBondContact O-OD1 2.78Å; K72-V76 WeakPolarHBondContact O-CB 3.46Å; K72-V76 WeakPolarHBondContact O-CG1 3.33Å; K72-V76 PolarHBondContact O-N 3.38Å
73R93.1Very high93.6Very high189 Ų18966.9 Ų66.971%0.71331%0.307SS*.THydrogen-bonded Turntrans-52.8-33.9176.9-65.9179.7177.6176.8-2.3112.9E102R73-E102 IonicContact CZ-OE2 2.77Å; R73-E102 IonicContact NE-OE2 3.19Å; R73-E102 PolarHBondContact NE-OE2 2.82Å; R73-E102 IonicContact NH2-OE1 3.36Å; R73-E102 IonicContact NH2-OE2 3.94Å; R73-E102 PolarHBondContact NH2-OE2 3.39Å
74E94.3Very high93.7Very high187 Ų18768.3 Ų68.387%0.87432%0.316SS*.THydrogen-bonded Turntrans-78-30.4-176.9-63.9162-160.800113.9K72K72-E74 PolarHBondContact O-N 2.92Å; K72-E74 VanDerWaalsContact O-N 3.08Å
75N95.3Very high94Very high29 Ų2972.1 Ų72.116%0.15533%0.332CS..THydrogen-bonded Turntrans-107.4-18.8-172.572.45.9000113.6D70 K72 L77 G78 I79D70-N75 PolarHBondContact O-ND2 3.4Å; K72-N75 PolarHBondContact N-OD1 2.84Å; K72-N75 PolarHBondContact O-N 3.45Å; K72-N75 VanDerWaalsContact O-N 3.13Å; K72-N75 PolarHBondContact O-OD1 2.78Å; N75-L77 PolarHBondContact O-N 3.02Å; N75-G78 PolarHBondContact O-N 2.74Å; N75-I79 HydrophobicContact CB-CD1 3.94Å; N75-I79 HydrophobicContact CB-CG1 4.46Å; N75-I79 VanDerWaalsContact CG-CD1 3.48Å; N75-I79 VanDerWaalsContact O-CG1 3.26Å; N75-I79 WeakPolarHBondContact O-CG1 3.37Å; N75-I79 PolarHBondContact O-N 3.22Å
76V96.5Very high94.3Very high2 Ų265 Ų651%0.01230%0.301CS..Hα-helixtrans-62.4-38.8-167.360.90000113.4L71 K72 L80 C95 F98 L99L71-V76 HydrophobicContact CD2-CG2 4.36Å; K72-V76 WeakPolarHBondContact O-CB 3.46Å; K72-V76 WeakPolarHBondContact O-CG1 3.33Å; K72-V76 PolarHBondContact O-N 3.38Å; V76-L80 VanDerWaalsContact O-CB 3.27Å; V76-L80 WeakPolarHBondContact O-CB 3.18Å; V76-L80 PolarHBondContact O-N 3.21Å; V76-C95 HydrophobicContact CG2-CB 3.98Å; V76-F98 HydrophobicContact CB-CD1 4.06Å; V76-F98 HydrophobicContact CB-CE1 4.3Å; V76-F98 HydrophobicContact CG1-CD1 4.11Å; V76-F98 HydrophobicContact CG1-CE1 4.12Å; V76-F98 HydrophobicContact CG2-CB 4.38Å; V76-F98 HydrophobicContact CG2-CD1 3.79Å; V76-F98 HydrophobicContact CG2-CG 4.35Å; V76-L99 HydrophobicContact CG1-CD2 3.64Å; V76-L99 HydrophobicContact CG1-CG 4.4Å; V76-L99 HydrophobicContact CG2-CD1 4.39Å; V76-L99 HydrophobicContact CG2-CD2 4.11Å; V76-L99 HydrophobicContact CG2-CG 3.95Å
77L96.2Very high94.5Very high68 Ų6866.1 Ų66.136%0.35630%0.302SS..Hα-helixtrans-67.1-47.1-179.5-61.2178.7000111.1N75 I79 L80 E81 L99 Y114N75-L77 PolarHBondContact O-N 3.02Å; L77-I79 PolarHBondContact O-N 3.45Å; L77-L80 WeakPolarHBondContact O-CB 3.32Å; L77-L80 PolarHBondContact O-N 3.1Å; L77-E81 WeakPolarHBondContact O-CG 3.49Å; L77-E81 PolarHBondContact O-N 3.19Å; L77-L99 HydrophobicContact CD2-CD1 3.93Å; L77-L99 HydrophobicContact CD2-CD2 3.89Å; L77-Y114 HydrophobicContact CD2-CD1 4.15Å; L77-Y114 HydrophobicContact CD2-CE1 3.55Å; L77-Y114 PolarHBondContact O-OH 3.12Å
78G96.4Very high94.8Very high12 Ų1260.7 Ų60.712%0.12428%0.277CS..Hα-helixtrans-68.5-34.4178.100000113.3H56 N75 T82H56-G78 VanDerWaalsContact CG-C 3.49Å; N75-G78 PolarHBondContact O-N 2.74Å; G78-T82 WeakPolarHBondContact O-CB 3.49Å; G78-T82 PolarHBondContact O-N 2.98Å; G78-T82 PolarHBondContact O-OG1 3.31Å
79I97.3Very high95Very high0 Ų056 Ų560%026%0.264CS..Hα-helixtrans-64.5-42.9170.6-65.7170000110.4H56 V59 L60 L69 L71 N75 L77 T82 A83 C95H56-I79 HydrophobicContact CB-CG1 4.25Å; V59-I79 HydrophobicContact CB-CD1 4.43Å; V59-I79 HydrophobicContact CG1-CD1 3.87Å; L60-I79 HydrophobicContact CD2-CG2 3.9Å; L60-I79 HydrophobicContact CG-CG2 4.3Å; L69-I79 HydrophobicContact CD1-CG2 4.4Å; L71-I79 HydrophobicContact CD2-CD1 4.02Å; L71-I79 HydrophobicContact CD2-CG2 4.43Å; N75-I79 HydrophobicContact CB-CD1 3.94Å; N75-I79 HydrophobicContact CB-CG1 4.46Å; N75-I79 VanDerWaalsContact CG-CD1 3.48Å; N75-I79 VanDerWaalsContact O-CG1 3.26Å; N75-I79 WeakPolarHBondContact O-CG1 3.37Å; N75-I79 PolarHBondContact O-N 3.22Å; L77-I79 PolarHBondContact O-N 3.45Å; I79-T82 PolarHBondContact O-N 2.83Å; I79-A83 WeakPolarHBondContact O-CB 3.41Å; I79-A83 PolarHBondContact O-N 2.77Å; I79-C95 VanDerWaalsContact CG2-SG 3.59Å
80L97Very high95Very high0 Ų059.8 Ų59.80%028%0.276CS..Hα-helixtrans-61.4-49178.8176.757.2000111.5V76 L77 T82 A83 D84 R92 C95 L99 Y114 L118V76-L80 VanDerWaalsContact O-CB 3.27Å; V76-L80 WeakPolarHBondContact O-CB 3.18Å; V76-L80 PolarHBondContact O-N 3.21Å; L77-L80 WeakPolarHBondContact O-CB 3.32Å; L77-L80 PolarHBondContact O-N 3.1Å; L80-T82 VanDerWaalsContact C-N 3.33Å; L80-T82 PolarHBondContact O-N 3.32Å; L80-A83 PolarHBondContact O-N 3.33Å; L80-D84 WeakPolarHBondContact O-CB 3.17Å; L80-D84 PolarHBondContact O-N 3.04Å; L80-R92 HydrophobicContact CD1-CB 4.31Å; L80-R92 HydrophobicContact CD1-CG 3.65Å; L80-C95 HydrophobicContact CB-CB 3.85Å; L80-C95 HydrophobicContact CD1-CB 3.9Å; L80-C95 HydrophobicContact CG-CB 4.32Å; L80-L99 HydrophobicContact CD2-CD1 3.72Å; L80-Y114 HydrophobicContact CD2-CE1 4.05Å; L80-L118 HydrophobicContact CD2-CD1 3.98Å; L80-L118 HydrophobicContact CG-CD1 4.05Å
81E96.3Very high95.2Very high89 Ų8955.3 Ų55.342%0.41625%0.252SS..Hα-helixtrans-60.4-43.3177.1-73168.3-168.300111.8L77 D84 F85 Y114 L118L77-E81 WeakPolarHBondContact O-CG 3.49Å; L77-E81 PolarHBondContact O-N 3.19Å; E81-D84 PolarHBondContact O-N 3.36Å; E81-F85 WeakPolarHBondContact O-CB 3.35Å; E81-F85 PolarHBondContact O-N 3.39Å; E81-Y114 VanDerWaalsContact CG-OH 3.3Å; E81-Y114 WeakPolarHBondContact CG-OH 3.34Å; E81-Y114 WeakPolarHBondContact OE1-CE2 3.41Å; E81-Y114 PolarHBondContact OE1-OH 2.81Å; E81-L118 HydrophobicContact CG-CD1 4.21Å; E81-L118 HydrophobicContact CG-CD2 4.35Å
82T96.6Very high95.3Very high7 Ų756.7 Ų56.74%0.04326%0.256CS..Hα-helixtrans-68-39.8178.2-53.50000111.3V52 H56 L60 G78 I79 L80 L86V52-T82 HydrophobicContact CB-CG2 4Å; V52-T82 HydrophobicContact CG1-CG2 3.92Å; H56-T82 HydrophobicContact CB-CG2 4.45Å; H56-T82 WeakPolarHBondContact CB-OG1 3.48Å; L60-T82 HydrophobicContact CD1-CG2 3.58Å; G78-T82 WeakPolarHBondContact O-CB 3.49Å; G78-T82 PolarHBondContact O-N 2.98Å; G78-T82 PolarHBondContact O-OG1 3.31Å; I79-T82 PolarHBondContact O-N 2.83Å; L80-T82 VanDerWaalsContact C-N 3.33Å; L80-T82 PolarHBondContact O-N 3.32Å; T82-L86 HydrophobicContact CG2-CD1 4Å; T82-L86 HydrophobicContact CG2-CG 4.48Å; T82-L86 WeakPolarHBondContact O-CB 3.36Å; T82-L86 VanDerWaalsContact O-CG 3.27Å; T82-L86 WeakPolarHBondContact O-CG 3.35Å; T82-L86 PolarHBondContact O-N 3.42Å
83A96.2Very high95.3Very high0 Ų053.6 Ų53.60%024%0.244CC..Hα-helixtrans-66.5-40.3177.100000111.5L60 I79 L80 L86 Q87 L88 P91 R92L60-A83 HydrophobicContact CD1-CB 4.18Å; L60-A83 HydrophobicContact CD2-CB 4.2Å; I79-A83 WeakPolarHBondContact O-CB 3.41Å; I79-A83 PolarHBondContact O-N 2.77Å; L80-A83 PolarHBondContact O-N 3.33Å; A83-L86 CarbonylContact O-C 3.53Å; A83-L86 PolarHBondContact O-N 3.39Å; A83-Q87 WeakPolarHBondContact O-CA 3.3Å; A83-Q87 PolarHBondContact O-N 2.96Å; A83-L88 HydrophobicContact CB-CB 4.28Å; A83-L88 PolarHBondContact O-N 2.68Å; A83-P91 HydrophobicContact CB-CB 4.02Å; A83-R92 HydrophobicContact CB-CB 4.39Å
84D94.9Very high95.3Very high52 Ų5245.3 Ų45.328%0.27821%0.214SC..Hα-helixtrans-63.8-48.4175.2-169.380.8000111.1L80 E81 L86 Q87 R92L80-D84 WeakPolarHBondContact O-CB 3.17Å; L80-D84 PolarHBondContact O-N 3.04Å; E81-D84 PolarHBondContact O-N 3.36Å; D84-L86 VanDerWaalsContact C-N 3.31Å; D84-L86 PolarHBondContact O-N 3.49Å; D84-Q87 PolarHBondContact O-N 2.91Å; D84-R92 IonicContact OD1-CZ 2.86Å; D84-R92 IonicContact OD1-NE 3.47Å; D84-R92 PolarHBondContact OD1-NE 3.44Å; D84-R92 IonicContact OD1-NH2 2.78Å
85F95.1Very high95.4Very high85 Ų8536.4 Ų36.437%0.37317%0.172SC..Hα-helixtrans-56.5-43.9175.1178.5-93.8000112.4Y30 I49 V52 E81 Q87Y30-F85 HydrophobicContact CE2-CE1 4.2Å; Y30-F85 HydrophobicContact CE2-CZ 4.38Å; I49-F85 HydrophobicContact CG2-CE1 4.02Å; V52-F85 HydrophobicContact CG1-CD1 3.4Å; V52-F85 VanDerWaalsContact CG1-CD1 3.4Å; V52-F85 HydrophobicContact CG1-CE1 3.72Å; V52-F85 HydrophobicContact CG1-CG 4.11Å; E81-F85 WeakPolarHBondContact O-CB 3.35Å; E81-F85 PolarHBondContact O-N 3.39Å; F85-Q87 VanDerWaalsContact C-N 3.27Å; F85-Q87 PolarHBondContact O-N 3.27Å
86L95Very high95.4Very high0 Ų035.5 Ų35.50%017%0.168CC..THydrogen-bonded Turntrans-83.42.7177.5-62.5176.9000113.3S28 Y30 F31 F57 L60 T82 A83 D84 L88S28-L86 WeakPolarHBondContact CB-O 3.48Å; S28-L86 PolarHBondContact OG-O 2.94Å; Y30-L86 WeakPolarHBondContact CB-O 3.42Å; Y30-L86 HydrophobicContact CD1-CD2 3.8Å; Y30-L86 HydrophobicContact CE1-CD2 3.74Å; F31-L86 HydrophobicContact CE1-CD2 4.35Å; F31-L86 HydrophobicContact CE2-CB 4.46Å; F31-L86 HydrophobicContact CE2-CD1 4.32Å; F31-L86 HydrophobicContact CE2-CD2 4.3Å; F31-L86 HydrophobicContact CZ-CD1 4.17Å; F31-L86 HydrophobicContact CZ-CD2 3.79Å; F31-L86 HydrophobicContact CZ-CG 4.47Å; F57-L86 HydrophobicContact CD2-CD1 3.79Å; F57-L86 HydrophobicContact CE2-CD1 3.74Å; F57-L86 HydrophobicContact CE2-CD2 4.45Å; L60-L86 HydrophobicContact CD1-CD1 4.3Å; T82-L86 HydrophobicContact CG2-CD1 4Å; T82-L86 HydrophobicContact CG2-CG 4.48Å; T82-L86 WeakPolarHBondContact O-CB 3.36Å; T82-L86 VanDerWaalsContact O-CG 3.27Å; T82-L86 WeakPolarHBondContact O-CG 3.35Å; T82-L86 PolarHBondContact O-N 3.42Å; A83-L86 CarbonylContact O-C 3.53Å; A83-L86 PolarHBondContact O-N 3.39Å; D84-L86 VanDerWaalsContact C-N 3.31Å; D84-L86 PolarHBondContact O-N 3.49Å; L86-L88 VanDerWaalsContact C-N 3.25Å; L86-L88 HydrophobicContact CB-CD1 4.02Å; L86-L88 HydrophobicContact CB-CG 4.1Å; L86-L88 HydrophobicContact CD1-CD1 4.18Å; L86-L88 PolarHBondContact O-N 3.34Å
87Q95.1Very high95.2Very high88 Ų8835.7 Ų35.741%0.41117%0.168SC..THydrogen-bonded Turntrans5143.1-178.6-57.9178.6-3.400113.1P29 A83 D84 F85 E89P29-Q87 WeakPolarHBondContact CD-O 3.48Å; P29-Q87 HydrophobicContact CG-CB 4.4Å; A83-Q87 WeakPolarHBondContact O-CA 3.3Å; A83-Q87 PolarHBondContact O-N 2.96Å; D84-Q87 PolarHBondContact O-N 2.91Å; F85-Q87 VanDerWaalsContact C-N 3.27Å; F85-Q87 PolarHBondContact O-N 3.27Å; Q87-E89 PolarHBondContact O-N 3.44Å
88L95.3Very high95Very high6 Ų634 Ų343%0.03116%0.159CC..  trans-91.888.6175.2-72.3169.2000109.5Q27 L60 A83 L86 R90 P91 R92Q27-L88 HydrophobicContact CB-CD2 4.37Å; L60-L88 HydrophobicContact CB-CD1 4.15Å; L60-L88 HydrophobicContact CD1-CD1 4.14Å; L60-L88 HydrophobicContact CD2-CD1 4.2Å; L60-L88 HydrophobicContact CG-CD1 4.4Å; A83-L88 HydrophobicContact CB-CB 4.28Å; A83-L88 PolarHBondContact O-N 2.68Å; L86-L88 VanDerWaalsContact C-N 3.25Å; L86-L88 HydrophobicContact CB-CD1 4.02Å; L86-L88 HydrophobicContact CB-CG 4.1Å; L86-L88 HydrophobicContact CD1-CD1 4.18Å; L86-L88 PolarHBondContact O-N 3.34Å; L88-R90 PolarHBondContact O-N 2.88Å; L88-P91 HydrophobicContact CB-CB 4.34Å; L88-P91 HydrophobicContact CB-CG 3.95Å; L88-P91 WeakPolarHBondContact O-CD 3.27Å; L88-R92 WeakPolarHBondContact O-CB 3.44Å; L88-R92 PolarHBondContact O-N 3.45Å
89E93.1Very high94.9Very high108 Ų10833.8 Ų33.851%0.50515%0.154SC..Hα-helixtrans-61.7-41.7-171.3-64.4-61.2162.200114Q87 R92 L93Q87-E89 PolarHBondContact O-N 3.44Å; E89-R92 PolarHBondContact O-N 3.22Å; E89-R92 IonicContact OE2-NH1 2.72Å; E89-R92 PolarHBondContact OE2-NH1 2.94Å; E89-L93 WeakPolarHBondContact O-CB 3.45Å; E89-L93 PolarHBondContact O-N 3.38Å
90R93.3Very high94.7Very high109 Ų10934.7 Ų34.741%0.41116%0.158SC..Hα-helixtrans-67.9-47.9-178.3-173.466.4172.9176.32.3112.1Y63 L88 R92 L93 L94 E453 T454Y63-R90 WeakPolarHBondContact OH-CG 3.16Å; L88-R90 PolarHBondContact O-N 2.88Å; R90-R92 PolarHBondContact O-N 3.19Å; R90-L93 PolarHBondContact O-N 2.95Å; R90-L94 WeakPolarHBondContact O-CG 3.26Å; R90-L94 PolarHBondContact O-N 3.48Å; R90-E453 PolarHBondContact NH1-O 3.33Å; R90-E453 PolarHBondContact NH2-O 2.78Å; R90-T454 PolarHBondContact NH2-O 3.31Å
91P95.3Very high94.3Very high3 Ų337.6 Ų37.62%0.01917%0.169CC..Hα-helixtrans-56.8-43.7169.4-30.437.8000114L60 Y63 L69 A83 L88 L93 L94 C95L60-P91 HydrophobicContact CD2-CB 3.59Å; L60-P91 HydrophobicContact CD2-CG 3.97Å; Y63-P91 HydrophobicContact CD1-CG 3.59Å; Y63-P91 HydrophobicContact CE1-CG 3.41Å; Y63-P91 VanDerWaalsContact CE1-CG 3.41Å; Y63-P91 HydrophobicContact CG-CG 4.37Å; L69-P91 HydrophobicContact CD2-CB 4.13Å; A83-P91 HydrophobicContact CB-CB 4.02Å; L88-P91 HydrophobicContact CB-CB 4.34Å; L88-P91 HydrophobicContact CB-CG 3.95Å; L88-P91 WeakPolarHBondContact O-CD 3.27Å; P91-L93 VanDerWaalsContact C-N 3.33Å; P91-L93 PolarHBondContact O-N 3.12Å; P91-L94 PolarHBondContact O-N 3.3Å; P91-C95 PolarHBondContact O-N 2.92Å; P91-C95 PolarHBondContact O-SG 3.49Å; P91-C95 VanDerWaalsContact O-SG 3.38Å
92R95.3Very high94Very high54 Ų5436.2 Ų36.220%0.20416%0.163CC..Hα-helixtrans-56.3-47.8176.8-176.2-177-178.4-129.9-5.2111.3L80 A83 D84 L88 E89 R90 C95 C96L80-R92 HydrophobicContact CD1-CB 4.31Å; L80-R92 HydrophobicContact CD1-CG 3.65Å; A83-R92 HydrophobicContact CB-CB 4.39Å; D84-R92 IonicContact OD1-CZ 2.86Å; D84-R92 IonicContact OD1-NE 3.47Å; D84-R92 PolarHBondContact OD1-NE 3.44Å; D84-R92 IonicContact OD1-NH2 2.78Å; L88-R92 WeakPolarHBondContact O-CB 3.44Å; L88-R92 PolarHBondContact O-N 3.45Å; E89-R92 PolarHBondContact O-N 3.22Å; E89-R92 IonicContact OE2-NH1 2.72Å; E89-R92 PolarHBondContact OE2-NH1 2.94Å; R90-R92 PolarHBondContact O-N 3.19Å; R92-C95 WeakPolarHBondContact O-CB 3.11Å; R92-C95 PolarHBondContact O-N 2.82Å; R92-C96 PolarHBondContact O-N 2.77Å; R92-C96 PolarHBondContact O-SG 3.05Å; R92-C96 VanDerWaalsContact O-SG 3.39Å
93L93.5Very high93.9Very high38 Ų3836.1 Ų36.120%0.19916%0.162CC..Hα-helixtrans-59.6-47.9175.6175.463.1000112.3E89 R90 P91 C95 C96 K97 E453E89-L93 WeakPolarHBondContact O-CB 3.45Å; E89-L93 PolarHBondContact O-N 3.38Å; R90-L93 PolarHBondContact O-N 2.95Å; P91-L93 VanDerWaalsContact C-N 3.33Å; P91-L93 PolarHBondContact O-N 3.12Å; L93-C95 VanDerWaalsContact C-N 3.3Å; L93-C95 PolarHBondContact O-N 3.48Å; L93-C96 PolarHBondContact O-N 3.21Å; L93-K97 HydrophobicContact CD1-CG 4.03Å; L93-K97 HydrophobicContact CG-CG 4.5Å; L93-K97 WeakPolarHBondContact O-CG 3.36Å; L93-K97 PolarHBondContact O-N 2.86Å; L93-E453 WeakPolarHBondContact CD1-OE2 3.42Å
94L94.1Very high93.7Very high15 Ų1538 Ų388%0.07917%0.171CC..Hα-helixtrans-59.5-42.1178.8-69.1171000111.5Y63 L69 L71 R90 P91 K97 F98 T454Y63-L94 HydrophobicContact CE2-CD1 4.22Å; L69-L94 HydrophobicContact CB-CD1 4.27Å; L69-L94 HydrophobicContact CD2-CB 4.11Å; L69-L94 HydrophobicContact CD2-CD1 4.13Å; L71-L94 HydrophobicContact CD1-CB 4.14Å; L71-L94 WeakPolarHBondContact CD1-O 3.4Å; R90-L94 WeakPolarHBondContact O-CG 3.26Å; R90-L94 PolarHBondContact O-N 3.48Å; P91-L94 PolarHBondContact O-N 3.3Å; L94-K97 PolarHBondContact O-N 2.84Å; L94-F98 WeakPolarHBondContact O-CB 3.42Å; L94-F98 PolarHBondContact O-N 3.15Å; L94-T454 HydrophobicContact CD2-CG2 3.67Å
95C95.7Very high93.6Very high0 Ų036.6 Ų36.60%016%0.163CC..Hα-helixtrans-61.9-47.8173.8-720000112V76 I79 L80 P91 R92 L93 K97 F98 L99V76-C95 HydrophobicContact CG2-CB 3.98Å; I79-C95 VanDerWaalsContact CG2-SG 3.59Å; L80-C95 HydrophobicContact CB-CB 3.85Å; L80-C95 HydrophobicContact CD1-CB 3.9Å; L80-C95 HydrophobicContact CG-CB 4.32Å; P91-C95 PolarHBondContact O-N 2.92Å; P91-C95 PolarHBondContact O-SG 3.49Å; P91-C95 VanDerWaalsContact O-SG 3.38Å; R92-C95 WeakPolarHBondContact O-CB 3.11Å; R92-C95 PolarHBondContact O-N 2.82Å; L93-C95 VanDerWaalsContact C-N 3.3Å; L93-C95 PolarHBondContact O-N 3.48Å; C95-K97 PolarHBondContact O-N 3.09Å; C95-F98 WeakPolarHBondContact O-CB 3.46Å; C95-F98 PolarHBondContact O-N 3.04Å; C95-L99 WeakPolarHBondContact O-CG 3.01Å; C95-L99 PolarHBondContact O-N 2.64Å
96C94.6Very high93.5Very high9 Ų936.6 Ų36.66%0.06117%0.17CC..Hα-helixtrans-58.9-46.3177.1-71.20000111.7R92 L93 F98 L99 E100R92-C96 PolarHBondContact O-N 2.77Å; R92-C96 PolarHBondContact O-SG 3.05Å; R92-C96 VanDerWaalsContact O-SG 3.39Å; L93-C96 PolarHBondContact O-N 3.21Å; C96-F98 VanDerWaalsContact C-N 3.33Å; C96-F98 PolarHBondContact O-N 2.99Å; C96-L99 PolarHBondContact O-N 3.49Å; C96-L99 VanDerWaalsContact O-N 3.14Å; C96-E100 WeakPolarHBondContact O-CG 3.28Å; C96-E100 PolarHBondContact O-N 3.45Å
97K92.3Very high93.4Very high6 Ų639 Ų393%0.02618%0.183CC..Hα-helixtrans-66.2-34.1177.6-67.6-60.6-172.6-174.50113.1L93 L94 C95 E100 R101 E453 T454L93-K97 HydrophobicContact CD1-CG 4.03Å; L93-K97 HydrophobicContact CG-CG 4.5Å; L93-K97 WeakPolarHBondContact O-CG 3.36Å; L93-K97 PolarHBondContact O-N 2.86Å; L94-K97 PolarHBondContact O-N 2.84Å; C95-K97 PolarHBondContact O-N 3.09Å; K97-E100 VanDerWaalsContact CD-OE2 3.27Å; K97-E100 WeakPolarHBondContact CD-OE2 3.29Å; K97-E100 IonicContact NZ-OE2 2.81Å; K97-E100 PolarHBondContact NZ-OE2 3.47Å; K97-E100 VanDerWaalsContact NZ-OE2 3.13Å; K97-R101 WeakPolarHBondContact O-CG 3.4Å; K97-R101 PolarHBondContact O-N 3.49Å; K97-R101 PolarHBondContact O-NE 3.43Å; K97-E453 WeakPolarHBondContact CE-OE1 3.46Å; K97-E453 WeakPolarHBondContact CE-OE2 3.41Å; K97-E453 VanDerWaalsContact NZ-CD 3.33Å; K97-E453 IonicContact NZ-OE1 3.78Å; K97-E453 PolarHBondContact NZ-OE1 3.38Å; K97-E453 IonicContact NZ-OE2 3.64Å; K97-E453 PolarHBondContact NZ-OE2 3.25Å; K97-T454 HydrophobicContact CB-CG2 3.88Å; K97-T454 HydrophobicContact CG-CG2 3.75Å
98F92.8Very high93.4Very high34 Ų3434.8 Ų34.815%0.14916%0.163CC..Hα-helixtrans-61.8-47170-176.3-83.9000111.2L71 V76 L94 C95 C96 E100 R101 E102L71-F98 HydrophobicContact CB-CD2 3.67Å; L71-F98 HydrophobicContact CB-CE2 3.99Å; L71-F98 HydrophobicContact CB-CG 4.03Å; L71-F98 HydrophobicContact CD1-CB 3.74Å; L71-F98 HydrophobicContact CD1-CD2 4.3Å; L71-F98 HydrophobicContact CD1-CG 4.17Å; L71-F98 WeakPolarHBondContact O-CE2 3.43Å; V76-F98 HydrophobicContact CB-CD1 4.06Å; V76-F98 HydrophobicContact CB-CE1 4.3Å; V76-F98 HydrophobicContact CG1-CD1 4.11Å; V76-F98 HydrophobicContact CG1-CE1 4.12Å; V76-F98 HydrophobicContact CG2-CB 4.38Å; V76-F98 HydrophobicContact CG2-CD1 3.79Å; V76-F98 HydrophobicContact CG2-CG 4.35Å; L94-F98 WeakPolarHBondContact O-CB 3.42Å; L94-F98 PolarHBondContact O-N 3.15Å; C95-F98 WeakPolarHBondContact O-CB 3.46Å; C95-F98 PolarHBondContact O-N 3.04Å; C96-F98 VanDerWaalsContact C-N 3.33Å; C96-F98 PolarHBondContact O-N 2.99Å; F98-E100 PolarHBondContact O-N 2.94Å; F98-R101 WeakPolarHBondContact O-CB 3.34Å; F98-R101 PolarHBondContact O-N 3.37Å; F98-E102 HydrophobicContact CD1-CG 4.17Å; F98-E102 HydrophobicContact CE1-CG 3.8Å; F98-E102 HydrophobicContact CZ-CG 4.18Å; F98-E102 WeakPolarHBondContact O-CG 3.44Å; F98-E102 PolarHBondContact O-N 3.32Å
99L94.4Very high93.4Very high7 Ų734.7 Ų34.74%0.03716%0.163CC..Hα-helixtrans-65.4-36.8178.4-67.6170.6000112.7V76 L77 L80 C95 C96 R101 E102 L103 M111 L123V76-L99 HydrophobicContact CG1-CD2 3.64Å; V76-L99 HydrophobicContact CG1-CG 4.4Å; V76-L99 HydrophobicContact CG2-CD1 4.39Å; V76-L99 HydrophobicContact CG2-CD2 4.11Å; V76-L99 HydrophobicContact CG2-CG 3.95Å; L77-L99 HydrophobicContact CD2-CD1 3.93Å; L77-L99 HydrophobicContact CD2-CD2 3.89Å; L80-L99 HydrophobicContact CD2-CD1 3.72Å; C95-L99 WeakPolarHBondContact O-CG 3.01Å; C95-L99 PolarHBondContact O-N 2.64Å; C96-L99 PolarHBondContact O-N 3.49Å; C96-L99 VanDerWaalsContact O-N 3.14Å; L99-R101 VanDerWaalsContact C-N 3.3Å; L99-R101 PolarHBondContact O-N 3.31Å; L99-E102 CarbonylContact O-C 3.46Å; L99-E102 PolarHBondContact O-N 3.31Å; L99-L103 PolarHBondContact O-N 3.24Å; L99-M111 HydrophobicContact CB-SD 4.38Å; L99-M111 HydrophobicContact CD1-SD 4.19Å; L99-M111 HydrophobicContact CD2-CE 3.82Å; L99-M111 HydrophobicContact CD2-SD 4.2Å; L99-M111 HydrophobicContact CG-SD 4.5Å; L99-L123 HydrophobicContact CB-CD1 3.81Å; L99-L123 HydrophobicContact CB-CD2 3.95Å; L99-L123 HydrophobicContact CD1-CD2 3.75Å
100E92.4Very high93.5Very high18 Ų1831.4 Ų31.48%0.08416%0.158CC..Hα-helixtrans-60.5-38.6174.4-75.6175.2-161.400112C96 K97 F98 E102 L103 L123 A126C96-E100 WeakPolarHBondContact O-CG 3.28Å; C96-E100 PolarHBondContact O-N 3.45Å; K97-E100 VanDerWaalsContact CD-OE2 3.27Å; K97-E100 WeakPolarHBondContact CD-OE2 3.29Å; K97-E100 IonicContact NZ-OE2 2.81Å; K97-E100 PolarHBondContact NZ-OE2 3.47Å; K97-E100 VanDerWaalsContact NZ-OE2 3.13Å; F98-E100 PolarHBondContact O-N 2.94Å; E100-E102 VanDerWaalsContact C-N 3.32Å; E100-L103 PolarHBondContact O-N 2.91Å; E100-L123 HydrophobicContact CB-CD1 4.46Å; E100-L123 HydrophobicContact CG-CB 4.48Å; E100-L123 HydrophobicContact CG-CD1 3.64Å; E100-L123 PolarHBondContact OE1-N 3.44Å; E100-A126 HydrophobicContact CG-CB 3.92Å
101R89.1Confident93.6Very high61 Ų6127.3 Ų27.323%0.2314%0.144CC..Hα-helixtrans-68.5-31.1176-74172.8-85.9-158.6-0113.1K97 F98 L99 L103 E456K97-R101 WeakPolarHBondContact O-CG 3.4Å; K97-R101 PolarHBondContact O-N 3.49Å; K97-R101 PolarHBondContact O-NE 3.43Å; F98-R101 WeakPolarHBondContact O-CB 3.34Å; F98-R101 PolarHBondContact O-N 3.37Å; L99-R101 VanDerWaalsContact C-N 3.3Å; L99-R101 PolarHBondContact O-N 3.31Å; R101-L103 VanDerWaalsContact C-N 3.34Å; R101-E456 IonicContact CZ-OE2 3.91Å; R101-E456 VanDerWaalsContact CZ-OE2 3.24Å; R101-E456 IonicContact NH1-OE2 3.93Å; R101-E456 PolarHBondContact NH1-OE2 2.89Å; R101-E456 IonicContact NH2-OE2 2.69Å; R101-E456 PolarHBondContact NH2-OE2 2.87Å
102E90.6Very high93.6Very high61 Ų6127.2 Ų27.229%0.28514%0.143SC..THydrogen-bonded Turntrans-94.610.6-177.9-64-68.7136.700112.7R73 F98 L99 E100 H104 N107R73-E102 IonicContact CZ-OE2 2.77Å; R73-E102 IonicContact NE-OE2 3.19Å; R73-E102 PolarHBondContact NE-OE2 2.82Å; R73-E102 IonicContact NH2-OE1 3.36Å; R73-E102 IonicContact NH2-OE2 3.94Å; R73-E102 PolarHBondContact NH2-OE2 3.39Å; F98-E102 HydrophobicContact CD1-CG 4.17Å; F98-E102 HydrophobicContact CE1-CG 3.8Å; F98-E102 HydrophobicContact CZ-CG 4.18Å; F98-E102 WeakPolarHBondContact O-CG 3.44Å; F98-E102 PolarHBondContact O-N 3.32Å; L99-E102 CarbonylContact O-C 3.46Å; L99-E102 PolarHBondContact O-N 3.31Å; E100-E102 VanDerWaalsContact C-N 3.32Å; E102-H104 PolarHBondContact O-N 3.2Å; E102-N107 PolarHBondContact O-ND2 3.37Å
103L93Very high93.5Very high4 Ų426 Ų262%0.02115%0.145CC..  trans-64.3135173.5-77.7173.5000110.1L99 E100 R101 M111 A126 A127 V130 Y501L99-L103 PolarHBondContact O-N 3.24Å; E100-L103 PolarHBondContact O-N 2.91Å; R101-L103 VanDerWaalsContact C-N 3.34Å; L103-M111 HydrophobicContact CD2-CB 3.81Å; L103-M111 HydrophobicContact CD2-CG 3.79Å; L103-A126 HydrophobicContact CD1-CB 3.83Å; L103-A127 HydrophobicContact CD1-CB 4.32Å; L103-A127 HydrophobicContact CD2-CB 3.86Å; L103-V130 HydrophobicContact CB-CG2 4.36Å; L103-V130 HydrophobicContact CD1-CG2 4.2Å; L103-Y501 HydrophobicContact CB-CD1 3.99Å; L103-Y501 HydrophobicContact CB-CE1 3.97Å
104H92.7Very high93.5Very high40 Ų4026 Ų2619%0.18514%0.142CC..  trans-142159.5178.4-174.8-97.9000109E102 T106 N107 C108 Y501E102-H104 PolarHBondContact O-N 3.2Å; H104-T106 PolarHBondContact ND1-N 3.49Å; H104-T106 VanDerWaalsContact ND1-N 3.19Å; H104-T106 PolarHBondContact ND1-OG1 3.39Å; H104-T106 PolarHBondContact O-N 3.46Å; H104-T106 VanDerWaalsContact O-N 3.09Å; H104-N107 PolarHBondContact N-OD1 2.87Å; H104-N107 PolarHBondContact O-N 3.48Å; H104-N107 VanDerWaalsContact O-N 3.08Å; H104-N107 PolarHBondContact O-OD1 3.16Å; H104-C108 WeakPolarHBondContact O-CB 3.31Å; H104-C108 PolarHBondContact O-N 2.85Å; H104-Y501 PolarHBondContact CD2-O 2.83Å; H104-Y501 PolarHBondContact NE2-O 3.04Å
105L92.5Very high93.6Very high22 Ų2225.4 Ų25.412%0.11514%0.139CC..THydrogen-bonded Turntrans-50.7-39.1177.3-61.1-174.8000112.6C108 V130 H134 A137 V138 Q141 Y501 I502L105-C108 PolarHBondContact O-SG 2.69Å; L105-V130 HydrophobicContact CD2-CG1 4.09Å; L105-H134 HydrophobicContact CD2-CB 3.28Å; L105-H134 VanDerWaalsContact CD2-CD2 3.44Å; L105-H134 WeakPolarHBondContact CD2-CD2 3.37Å; L105-A137 HydrophobicContact CD1-CB 4.12Å; L105-V138 HydrophobicContact CD2-CG2 4.39Å; L105-Q141 PolarHBondContact O-NE2 2.71Å; L105-Q141 PolarHBondContact O-OE1 2.93Å; L105-Y501 PolarHBondContact N-O 2.81Å; L105-I502 HydrophobicContact CD1-CG2 3.5Å; L105-I502 HydrophobicContact CG-CG2 3.86Å
106T92.6Very high93.5Very high85 Ų8533 Ų3352%0.52117%0.168SC..THydrogen-bonded Turntrans-79.1-14.6-175.457.30000114.7H104H104-T106 PolarHBondContact ND1-N 3.49Å; H104-T106 VanDerWaalsContact ND1-N 3.19Å; H104-T106 PolarHBondContact ND1-OG1 3.39Å; H104-T106 PolarHBondContact O-N 3.46Å; H104-T106 VanDerWaalsContact O-N 3.09Å
107N93.9Very high93.4Very high50 Ų5040.3 Ų40.327%0.26720%0.201SC..THydrogen-bonded Turntrans-117.6-11.2-179.274.313.5000113.2E102 H104 L109 G110 M111E102-N107 PolarHBondContact O-ND2 3.37Å; H104-N107 PolarHBondContact N-OD1 2.87Å; H104-N107 PolarHBondContact O-N 3.48Å; H104-N107 VanDerWaalsContact O-N 3.08Å; H104-N107 PolarHBondContact O-OD1 3.16Å; N107-L109 VanDerWaalsContact C-N 3.33Å; N107-L109 PolarHBondContact O-N 3.25Å; N107-G110 PolarHBondContact O-N 2.93Å; N107-M111 WeakPolarHBondContact O-CB 3.31Å; N107-M111 PolarHBondContact O-N 3.3Å
108C95.3Very high93.3Very high0 Ų041.7 Ų41.70%021%0.208CC..Hα-helixtrans-59.6-39.6-170.666.80000113.1H104 L105 M111 M112 V130H104-C108 WeakPolarHBondContact O-CB 3.31Å; H104-C108 PolarHBondContact O-N 2.85Å; L105-C108 PolarHBondContact O-SG 2.69Å; C108-M111 PolarHBondContact O-N 3.01Å; C108-M112 WeakPolarHBondContact O-CB 3.47Å; C108-M112 PolarHBondContact O-N 3.13Å; C108-V130 HydrophobicContact CB-CB 3.98Å; C108-V130 HydrophobicContact CB-CG1 3.79Å
109L95.4Very high93.3Very high5 Ų542.1 Ų42.13%0.02622%0.223CC..Hα-helixtrans-69-42.1179.2-63.8-176.4000112.4N107 M112 A113 A131 V138 D143 F144 L147N107-L109 VanDerWaalsContact C-N 3.33Å; N107-L109 PolarHBondContact O-N 3.25Å; L109-M112 HydrophobicContact CD2-CE 3.89Å; L109-M112 PolarHBondContact O-N 2.91Å; L109-A113 WeakPolarHBondContact O-CB 3.37Å; L109-A113 PolarHBondContact O-N 3.08Å; L109-A131 HydrophobicContact CD2-CB 3.98Å; L109-V138 HydrophobicContact CD1-CG1 3.58Å; L109-V138 HydrophobicContact CD2-CG1 3.72Å; L109-V138 HydrophobicContact CG-CG1 3.64Å; L109-D143 HydrophobicContact CB-CB 4.44Å; L109-D143 HydrophobicContact CD1-CB 4.19Å; L109-F144 VanDerWaalsContact CD1-CA 3.5Å; L109-F144 HydrophobicContact CD1-CB 4Å; L109-F144 HydrophobicContact CD1-CD2 4.26Å; L109-L147 HydrophobicContact CD1-CD1 4.31Å; L109-L147 HydrophobicContact CD1-CG 4.46Å; L109-L147 HydrophobicContact CD2-CD1 4.26Å; L109-L147 HydrophobicContact CD2-CD2 4.29Å
110G94.1Very high93.3Very high38 Ų3842.2 Ų42.239%0.39222%0.224SC..Hα-helixtrans-63.5-44173.900000111.6N107 A113 Y114N107-G110 PolarHBondContact O-N 2.93Å; G110-A113 WeakPolarHBondContact O-CB 3.34Å; G110-A113 PolarHBondContact O-N 3.32Å; G110-A113 VanDerWaalsContact O-N 3.16Å; G110-Y114 WeakPolarHBondContact O-CB 3.46Å; G110-Y114 PolarHBondContact O-N 3.02Å
111M95.6Very high93.3Very high23 Ų2346.3 Ų46.311%0.11325%0.25CS..Hα-helixtrans-66.5-38.9178.1-158.461.46800111.9L99 L103 N107 C108 A113 Y114 A115 L123 A127L99-M111 HydrophobicContact CB-SD 4.38Å; L99-M111 HydrophobicContact CD1-SD 4.19Å; L99-M111 HydrophobicContact CD2-CE 3.82Å; L99-M111 HydrophobicContact CD2-SD 4.2Å; L99-M111 HydrophobicContact CG-SD 4.5Å; L103-M111 HydrophobicContact CD2-CB 3.81Å; L103-M111 HydrophobicContact CD2-CG 3.79Å; N107-M111 WeakPolarHBondContact O-CB 3.31Å; N107-M111 PolarHBondContact O-N 3.3Å; C108-M111 PolarHBondContact O-N 3.01Å; M111-A113 VanDerWaalsContact C-N 3.31Å; M111-A113 PolarHBondContact O-N 3.49Å; M111-Y114 PolarHBondContact O-N 3.44Å; M111-Y114 HydrophobicContact SD-CD1 4.23Å; M111-A115 WeakPolarHBondContact O-CB 3.41Å; M111-A115 PolarHBondContact O-N 3.18Å; M111-L123 HydrophobicContact CG-CD1 3.97Å; M111-L123 HydrophobicContact CG-CD2 4.13Å; M111-L123 HydrophobicContact CG-CG 4.14Å; M111-L123 HydrophobicContact SD-CD2 4.11Å; M111-A127 HydrophobicContact CB-CB 4.32Å
112M95.2Very high93.4Very high1 Ų147.8 Ų47.81%0.00526%0.26CS..Hα-helixtrans-60.1-42.8171.6-175.2178.565.600110.8C108 L109 W116 Y124 A127 R128 L147C108-M112 WeakPolarHBondContact O-CB 3.47Å; C108-M112 PolarHBondContact O-N 3.13Å; L109-M112 HydrophobicContact CD2-CE 3.89Å; L109-M112 PolarHBondContact O-N 2.91Å; M112-W116 WeakPolarHBondContact O-CB 3.36Å; M112-W116 PolarHBondContact O-N 2.9Å; M112-Y124 HydrophobicContact CG-CD2 3.59Å; M112-Y124 HydrophobicContact CG-CE2 3.34Å; M112-Y124 VanDerWaalsContact O-CD2 3.32Å; M112-Y124 WeakPolarHBondContact O-CD2 3.23Å; M112-Y124 HydrophobicContact SD-CE2 4.18Å; M112-A127 HydrophobicContact CB-CB 3.86Å; M112-R128 HydrophobicContact CG-CB 4.48Å; M112-R128 HydrophobicContact SD-CB 3.85Å; M112-R128 HydrophobicContact SD-CG 4.18Å; M112-L147 HydrophobicContact CE-CD2 4.05Å
113A93Very high93.5Very high29 Ų2944.9 Ų44.924%0.2425%0.246CC..Hα-helixtrans-63.4-45.1176.700000113L109 G110 M111 Q117L109-A113 WeakPolarHBondContact O-CB 3.37Å; L109-A113 PolarHBondContact O-N 3.08Å; G110-A113 WeakPolarHBondContact O-CB 3.34Å; G110-A113 PolarHBondContact O-N 3.32Å; G110-A113 VanDerWaalsContact O-N 3.16Å; M111-A113 VanDerWaalsContact C-N 3.31Å; M111-A113 PolarHBondContact O-N 3.49Å; A113-Q117 PolarHBondContact O-N 3.28Å
114Y94.5Very high93.6Very high39 Ų3946.1 Ų46.115%0.15325%0.251CS..Hα-helixtrans-68-47.7-177.9-178.8-103.3000112.1L77 L80 E81 G110 M111 W116 Q117 L118L77-Y114 HydrophobicContact CD2-CD1 4.15Å; L77-Y114 HydrophobicContact CD2-CE1 3.55Å; L77-Y114 PolarHBondContact O-OH 3.12Å; L80-Y114 HydrophobicContact CD2-CE1 4.05Å; E81-Y114 VanDerWaalsContact CG-OH 3.3Å; E81-Y114 WeakPolarHBondContact CG-OH 3.34Å; E81-Y114 WeakPolarHBondContact OE1-CE2 3.41Å; E81-Y114 PolarHBondContact OE1-OH 2.81Å; G110-Y114 WeakPolarHBondContact O-CB 3.46Å; G110-Y114 PolarHBondContact O-N 3.02Å; M111-Y114 PolarHBondContact O-N 3.44Å; M111-Y114 HydrophobicContact SD-CD1 4.23Å; Y114-W116 VanDerWaalsContact C-N 3.26Å; Y114-W116 PolarHBondContact O-N 2.69Å; Y114-Q117 WeakPolarHBondContact O-CB 3.31Å; Y114-Q117 PolarHBondContact O-N 2.98Å; Y114-L118 HydrophobicContact CD1-CD1 4.25Å; Y114-L118 HydrophobicContact CE1-CD1 3.49Å; Y114-L118 VanDerWaalsContact CE1-CD1 3.49Å; Y114-L118 HydrophobicContact CE1-CG 4.48Å; Y114-L118 HydrophobicContact CE2-CD1 4.15Å; Y114-L118 VanDerWaalsContact CZ-CD1 3.45Å; Y114-L118 PolarHBondContact O-N 3.07Å; Y114-L118 VanDerWaalsContact O-N 3.15Å
115A95.5Very high93.7Very high1 Ų148.2 Ų48.21%0.00827%0.267CS..Hα-helixtrans-60.1-37.5178.100000112.1M111 L118 G119 C120 L123M111-A115 WeakPolarHBondContact O-CB 3.41Å; M111-A115 PolarHBondContact O-N 3.18Å; A115-L118 PolarHBondContact O-N 2.91Å; A115-G119 PolarHBondContact O-N 3.35Å; A115-G119 VanDerWaalsContact O-N 3.09Å; A115-C120 HydrophobicContact CB-CB 4.2Å; A115-C120 PolarHBondContact O-N 2.78Å; A115-L123 HydrophobicContact CB-CB 4.02Å; A115-L123 HydrophobicContact CB-CD2 3.92Å; A115-L123 HydrophobicContact CB-CG 3.81Å
116W93.3Very high93.6Very high161 Ų16148 Ų4861%0.6127%0.267SS*.Hα-helixtrans-61.5-43.1173.5-178-90000112.4M112 Y114 L118 G119 Y124M112-W116 WeakPolarHBondContact O-CB 3.36Å; M112-W116 PolarHBondContact O-N 2.9Å; Y114-W116 VanDerWaalsContact C-N 3.26Å; Y114-W116 PolarHBondContact O-N 2.69Å; W116-L118 PolarHBondContact O-N 2.88Å; W116-G119 PolarHBondContact O-N 3.48Å; W116-Y124 HydrophobicContact CB-CD2 3.94Å; W116-Y124 HydrophobicContact CB-CE2 4.21Å; W116-Y124 HydrophobicContact CD2-CE2 4.42Å; W116-Y124 HydrophobicContact CE3-CD1 4.47Å; W116-Y124 AromaticContact CE3-CD2 3.97Å; W116-Y124 HydrophobicContact CE3-CD2 3.97Å; W116-Y124 HydrophobicContact CE3-CE1 4.25Å; W116-Y124 AromaticContact CE3-CE2 3.73Å; W116-Y124 HydrophobicContact CE3-CE2 3.73Å; W116-Y124 HydrophobicContact CE3-CG 4.35Å; W116-Y124 AromaticContact CE3-CZ 3.89Å; W116-Y124 HydrophobicContact CZ3-CE1 4.4Å
117Q92.4Very high93.8Very high162 Ų16243.9 Ų43.976%0.75724%0.243SC*.Hα-helixtrans-65.3-37.6-178.9-177.6177.5-19.800112.5A113 Y114 G119A113-Q117 PolarHBondContact O-N 3.28Å; Y114-Q117 WeakPolarHBondContact O-CB 3.31Å; Y114-Q117 PolarHBondContact O-N 2.98Å; Q117-G119 VanDerWaalsContact C-N 3.32Å
118L91.3Very high93.8Very high34 Ų3443.5 Ų43.518%0.17824%0.237CC..THydrogen-bonded Turntrans-85.6-0.5176.4-66.1-177.5000113.9L80 E81 Y114 A115 W116 C120L80-L118 HydrophobicContact CD2-CD1 3.98Å; L80-L118 HydrophobicContact CG-CD1 4.05Å; E81-L118 HydrophobicContact CG-CD1 4.21Å; E81-L118 HydrophobicContact CG-CD2 4.35Å; Y114-L118 HydrophobicContact CD1-CD1 4.25Å; Y114-L118 HydrophobicContact CE1-CD1 3.49Å; Y114-L118 VanDerWaalsContact CE1-CD1 3.49Å; Y114-L118 HydrophobicContact CE1-CG 4.48Å; Y114-L118 HydrophobicContact CE2-CD1 4.15Å; Y114-L118 VanDerWaalsContact CZ-CD1 3.45Å; Y114-L118 PolarHBondContact O-N 3.07Å; Y114-L118 VanDerWaalsContact O-N 3.15Å; A115-L118 PolarHBondContact O-N 2.91Å; W116-L118 PolarHBondContact O-N 2.88Å; L118-C120 PolarHBondContact O-N 2.91Å
119G92.3Very high93.6Very high44 Ų4446.1 Ų46.145%0.45425%0.249SC..THydrogen-bonded Turntrans64.824.8-175.800000113.9A115 W116 Q117 T121A115-G119 PolarHBondContact O-N 3.35Å; A115-G119 VanDerWaalsContact O-N 3.09Å; W116-G119 PolarHBondContact O-N 3.48Å; Q117-G119 VanDerWaalsContact C-N 3.32Å; G119-T121 PolarHBondContact O-N 2.95Å; G119-T121 VanDerWaalsContact O-N 3.12Å
120C93.9Very high93.4Very high8 Ų845.9 Ų45.95%0.05425%0.248CC..  trans-81.782.6175.8-65.30000109.8A115 L118 Q122 L123 Y124A115-C120 HydrophobicContact CB-CB 4.2Å; A115-C120 PolarHBondContact O-N 2.78Å; L118-C120 PolarHBondContact O-N 2.91Å; C120-Q122 PolarHBondContact O-N 3.14Å; C120-L123 HydrophobicContact CB-CB 4.24Å; C120-L123 PolarHBondContact O-N 2.95Å; C120-Y124 WeakPolarHBondContact O-CB 3.4Å; C120-Y124 PolarHBondContact O-N 3.18Å
121T92.6Very high93.4Very high105 Ų10544 Ų4464%0.64423%0.23SC*.Hα-helixtrans-63.1-41.2-172.3540000113.7G119 Y124 T125G119-T121 PolarHBondContact O-N 2.95Å; G119-T121 VanDerWaalsContact O-N 3.12Å; T121-Y124 WeakPolarHBondContact O-CB 3.43Å; T121-Y124 PolarHBondContact O-N 3.42Å; T121-T125 PolarHBondContact O-N 2.91Å; T121-T125 PolarHBondContact O-OG1 3.16Å; T121-T125 VanDerWaalsContact O-OG1 3.07Å
122Q91.1Very high93.1Very high91 Ų9143 Ų4343%0.42522%0.224SC..Hα-helixtrans-61.5-51.1178.9-69.1177.7-25.200111.7C120 Y124 T125 A126C120-Q122 PolarHBondContact O-N 3.14Å; Q122-Y124 VanDerWaalsContact C-N 3.31Å; Q122-Y124 PolarHBondContact O-N 3.39Å; Q122-T125 PolarHBondContact O-N 2.9Å; Q122-A126 PolarHBondContact O-N 2.91Å
123L94.5Very high92.8Very high0 Ų043.6 Ų43.60%023%0.228CC..Hα-helixtrans-62.2-38.9177.2178.762.7000111.8L99 E100 M111 A115 C120 A126 A127L99-L123 HydrophobicContact CB-CD1 3.81Å; L99-L123 HydrophobicContact CB-CD2 3.95Å; L99-L123 HydrophobicContact CD1-CD2 3.75Å; E100-L123 HydrophobicContact CB-CD1 4.46Å; E100-L123 HydrophobicContact CG-CB 4.48Å; E100-L123 HydrophobicContact CG-CD1 3.64Å; E100-L123 PolarHBondContact OE1-N 3.44Å; M111-L123 HydrophobicContact CG-CD1 3.97Å; M111-L123 HydrophobicContact CG-CD2 4.13Å; M111-L123 HydrophobicContact CG-CG 4.14Å; M111-L123 HydrophobicContact SD-CD2 4.11Å; A115-L123 HydrophobicContact CB-CB 4.02Å; A115-L123 HydrophobicContact CB-CD2 3.92Å; A115-L123 HydrophobicContact CB-CG 3.81Å; C120-L123 HydrophobicContact CB-CB 4.24Å; C120-L123 PolarHBondContact O-N 2.95Å; L123-A126 PolarHBondContact O-N 2.83Å; L123-A127 VanDerWaalsContact O-CB 3.32Å; L123-A127 WeakPolarHBondContact O-CB 3.39Å; L123-A127 PolarHBondContact O-N 3.34Å
124Y95.1Very high92.6Very high31 Ų3143.4 Ų43.412%0.12222%0.222CC..Hα-helixtrans-60-49.1174173.2-93.4000111.3M112 W116 C120 T121 Q122 A126 A127 R128M112-Y124 HydrophobicContact CG-CD2 3.59Å; M112-Y124 HydrophobicContact CG-CE2 3.34Å; M112-Y124 VanDerWaalsContact O-CD2 3.32Å; M112-Y124 WeakPolarHBondContact O-CD2 3.23Å; M112-Y124 HydrophobicContact SD-CE2 4.18Å; W116-Y124 HydrophobicContact CB-CD2 3.94Å; W116-Y124 HydrophobicContact CB-CE2 4.21Å; W116-Y124 HydrophobicContact CD2-CE2 4.42Å; W116-Y124 HydrophobicContact CE3-CD1 4.47Å; W116-Y124 AromaticContact CE3-CD2 3.97Å; W116-Y124 HydrophobicContact CE3-CD2 3.97Å; W116-Y124 HydrophobicContact CE3-CE1 4.25Å; W116-Y124 AromaticContact CE3-CE2 3.73Å; W116-Y124 HydrophobicContact CE3-CE2 3.73Å; W116-Y124 HydrophobicContact CE3-CG 4.35Å; W116-Y124 AromaticContact CE3-CZ 3.89Å; W116-Y124 HydrophobicContact CZ3-CE1 4.4Å; C120-Y124 WeakPolarHBondContact O-CB 3.4Å; C120-Y124 PolarHBondContact O-N 3.18Å; T121-Y124 WeakPolarHBondContact O-CB 3.43Å; T121-Y124 PolarHBondContact O-N 3.42Å; Q122-Y124 VanDerWaalsContact C-N 3.31Å; Q122-Y124 PolarHBondContact O-N 3.39Å; Y124-A126 VanDerWaalsContact C-N 3.35Å; Y124-A126 PolarHBondContact O-N 3.47Å; Y124-A127 PolarHBondContact O-N 3.13Å; Y124-R128 WeakPolarHBondContact O-CB 3.25Å; Y124-R128 PolarHBondContact O-N 3.44Å
125T92.8Very high92.4Very high84 Ų8441.6 Ų41.652%0.51522%0.215SC..Hα-helixtrans-61.7-42.9178.8-62.50000111.3T121 Q122 R128 Q129T121-T125 PolarHBondContact O-N 2.91Å; T121-T125 PolarHBondContact O-OG1 3.16Å; T121-T125 VanDerWaalsContact O-OG1 3.07Å; Q122-T125 PolarHBondContact O-N 2.9Å; T125-R128 PolarHBondContact O-N 2.96Å; T125-Q129 WeakPolarHBondContact O-CB 3.49Å; T125-Q129 PolarHBondContact O-N 3.46Å
126A92.4Very high92.1Very high16 Ų1644.1 Ų44.113%0.13223%0.233CC..Hα-helixtrans-61.6-50.4176.200000111.7E100 L103 Q122 L123 Y124 R128 Q129 V130E100-A126 HydrophobicContact CG-CB 3.92Å; L103-A126 HydrophobicContact CD1-CB 3.83Å; Q122-A126 PolarHBondContact O-N 2.91Å; L123-A126 PolarHBondContact O-N 2.83Å; Y124-A126 VanDerWaalsContact C-N 3.35Å; Y124-A126 PolarHBondContact O-N 3.47Å; A126-R128 VanDerWaalsContact C-N 3.33Å; A126-R128 PolarHBondContact O-N 3.37Å; A126-Q129 WeakPolarHBondContact O-CB 3.32Å; A126-Q129 PolarHBondContact O-N 2.82Å; A126-Q129 VanDerWaalsContact O-N 3.15Å; A126-V130 WeakPolarHBondContact O-CG2 3.48Å; A126-V130 PolarHBondContact O-N 2.85Å; A126-V130 VanDerWaalsContact O-N 3.13Å
127A95Very high92Very high0 Ų038.7 Ų38.70%022%0.222CC..Hα-helixtrans-62.9-39.1178.900000112.5L103 M111 M112 L123 Y124 V130 A131L103-A127 HydrophobicContact CD1-CB 4.32Å; L103-A127 HydrophobicContact CD2-CB 3.86Å; M111-A127 HydrophobicContact CB-CB 4.32Å; M112-A127 HydrophobicContact CB-CB 3.86Å; L123-A127 VanDerWaalsContact O-CB 3.32Å; L123-A127 WeakPolarHBondContact O-CB 3.39Å; L123-A127 PolarHBondContact O-N 3.34Å; Y124-A127 PolarHBondContact O-N 3.13Å; A127-V130 WeakPolarHBondContact O-CB 3.27Å; A127-V130 PolarHBondContact O-N 2.85Å; A127-A131 PolarHBondContact O-N 3.14Å; A127-A131 VanDerWaalsContact O-N 3.14Å
128R94.1Very high92Very high42 Ų4231 Ų3116%0.15819%0.186CC..Hα-helixtrans-62.9-41.5173.5-178.4179175.8-83-1.2111.5M112 Y124 T125 A126 V130 A131 L132 D154 L155 S158M112-R128 HydrophobicContact CG-CB 4.48Å; M112-R128 HydrophobicContact SD-CB 3.85Å; M112-R128 HydrophobicContact SD-CG 4.18Å; Y124-R128 WeakPolarHBondContact O-CB 3.25Å; Y124-R128 PolarHBondContact O-N 3.44Å; T125-R128 PolarHBondContact O-N 2.96Å; A126-R128 VanDerWaalsContact C-N 3.33Å; A126-R128 PolarHBondContact O-N 3.37Å; R128-V130 VanDerWaalsContact C-N 3.3Å; R128-V130 PolarHBondContact O-N 2.95Å; R128-A131 WeakPolarHBondContact O-CB 3.14Å; R128-A131 PolarHBondContact O-N 2.88Å; R128-A131 VanDerWaalsContact O-N 3.14Å; R128-L132 HydrophobicContact CG-CD1 4.24Å; R128-L132 HydrophobicContact CG-CG 4.44Å; R128-L132 VanDerWaalsContact NH1-CD1 3.32Å; R128-L132 WeakPolarHBondContact O-CG 3.19Å; R128-L132 PolarHBondContact O-N 3.22Å; R128-D154 IonicContact CZ-OD2 3.25Å; R128-D154 IonicContact NE-OD2 2.71Å; R128-D154 PolarHBondContact NE-OD2 3.4Å; R128-D154 PolarHBondContact NH2-O 2.82Å; R128-D154 IonicContact NH2-OD1 3.64Å; R128-D154 IonicContact NH2-OD2 3.5Å; R128-D154 PolarHBondContact NH2-OD2 3.45Å; R128-L155 HydrophobicContact CG-CD2 4.02Å; R128-S158 PolarHBondContact NH2-OG 3.27Å
129Q91.1Very high92Very high54 Ų5430 Ų3025%0.25218%0.182SC..Hα-helixtrans-63.4-37.2178.6-170.659.624.800111.9T125 A126 L132 T133T125-Q129 WeakPolarHBondContact O-CB 3.49Å; T125-Q129 PolarHBondContact O-N 3.46Å; A126-Q129 WeakPolarHBondContact O-CB 3.32Å; A126-Q129 PolarHBondContact O-N 2.82Å; A126-Q129 VanDerWaalsContact O-N 3.15Å; Q129-L132 PolarHBondContact O-N 2.84Å; Q129-T133 VanDerWaalsContact O-CB 3.28Å; Q129-T133 WeakPolarHBondContact O-CB 3.34Å; Q129-T133 PolarHBondContact O-N 2.86Å; Q129-T133 PolarHBondContact O-OG1 3.09Å
130V92.3Very high91.9Very high0 Ų032.4 Ų32.40%019%0.192CC..Hα-helixtrans-60.1-48.5171.1-178.90000110.7L103 L105 C108 A126 A127 R128 L132 T133 H134 Y501L103-V130 HydrophobicContact CB-CG2 4.36Å; L103-V130 HydrophobicContact CD1-CG2 4.2Å; L105-V130 HydrophobicContact CD2-CG1 4.09Å; C108-V130 HydrophobicContact CB-CB 3.98Å; C108-V130 HydrophobicContact CB-CG1 3.79Å; A126-V130 WeakPolarHBondContact O-CG2 3.48Å; A126-V130 PolarHBondContact O-N 2.85Å; A126-V130 VanDerWaalsContact O-N 3.13Å; A127-V130 WeakPolarHBondContact O-CB 3.27Å; A127-V130 PolarHBondContact O-N 2.85Å; R128-V130 VanDerWaalsContact C-N 3.3Å; R128-V130 PolarHBondContact O-N 2.95Å; V130-L132 VanDerWaalsContact C-N 3.3Å; V130-L132 PolarHBondContact O-N 3.44Å; V130-T133 PolarHBondContact O-N 3.15Å; V130-H134 WeakPolarHBondContact O-CB 3.48Å; V130-H134 PolarHBondContact O-N 2.92Å; V130-Y501 HydrophobicContact CG1-CD1 4.38Å; V130-Y501 HydrophobicContact CG1-CD2 4.47Å; V130-Y501 HydrophobicContact CG1-CG 4.12Å; V130-Y501 HydrophobicContact CG2-CD1 3.54Å; V130-Y501 HydrophobicContact CG2-CD2 4.03Å; V130-Y501 HydrophobicContact CG2-CE1 3.25Å; V130-Y501 HydrophobicContact CG2-CE2 3.77Å; V130-Y501 HydrophobicContact CG2-CG 3.85Å
131A93.4Very high91.8Very high0 Ų033.9 Ų33.90%020%0.198CC..Hα-helixtrans-62-35.8179.600000113L109 A127 R128 F135 L155L109-A131 HydrophobicContact CD2-CB 3.98Å; A127-A131 PolarHBondContact O-N 3.14Å; A127-A131 VanDerWaalsContact O-N 3.14Å; R128-A131 WeakPolarHBondContact O-CB 3.14Å; R128-A131 PolarHBondContact O-N 2.88Å; R128-A131 VanDerWaalsContact O-N 3.14Å; A131-F135 WeakPolarHBondContact O-CA 3.39Å; A131-F135 WeakPolarHBondContact O-CB 3.32Å; A131-F135 PolarHBondContact O-N 2.81Å; A131-F135 VanDerWaalsContact O-N 3.11Å; A131-L155 HydrophobicContact CB-CD2 4.22Å
132L90.6Very high91.6Very high0 Ų036.8 Ų36.80%021%0.205CC..Hα-helixtrans-72.4-42.8176.4-71.1175.4000112.8R128 Q129 V130 H134 L155 S158 D160 L161 A162R128-L132 HydrophobicContact CG-CD1 4.24Å; R128-L132 HydrophobicContact CG-CG 4.44Å; R128-L132 VanDerWaalsContact NH1-CD1 3.32Å; R128-L132 WeakPolarHBondContact O-CG 3.19Å; R128-L132 PolarHBondContact O-N 3.22Å; Q129-L132 PolarHBondContact O-N 2.84Å; V130-L132 VanDerWaalsContact C-N 3.3Å; V130-L132 PolarHBondContact O-N 3.44Å; L132-H134 VanDerWaalsContact C-N 3.34Å; L132-L155 HydrophobicContact CD2-CB 4.36Å; L132-L155 HydrophobicContact CD2-CD2 3.77Å; L132-L155 HydrophobicContact CG-CD2 4.04Å; L132-S158 WeakPolarHBondContact CD1-OG 3.47Å; L132-D160 HydrophobicContact CD1-CB 4.24Å; L132-L161 HydrophobicContact CD2-CB 4.09Å; L132-L161 HydrophobicContact CD2-CD1 3.92Å; L132-A162 PolarHBondContact O-N 3.49Å
133T87.5Confident91.6Very high14 Ų1436 Ų369%0.08620%0.203CC..Hα-helixtrans-65.6-40.3179.9-59.50000111.2Q129 V130 S477 Q479Q129-T133 VanDerWaalsContact O-CB 3.28Å; Q129-T133 WeakPolarHBondContact O-CB 3.34Å; Q129-T133 PolarHBondContact O-N 2.86Å; Q129-T133 PolarHBondContact O-OG1 3.09Å; V130-T133 PolarHBondContact O-N 3.15Å; T133-S477 WeakPolarHBondContact CG2-O 3.31Å; T133-Q479 HydrophobicContact CG2-CG 4.44Å
134H89.4Confident91.5Very high25 Ų2536 Ų3612%0.11620%0.203CC..THydrogen-bonded Turntrans-112.127.1-172.9-68.4-62.9000113.6L105 V130 L132 S136 A137 V138 D499L105-H134 HydrophobicContact CD2-CB 3.28Å; L105-H134 VanDerWaalsContact CD2-CD2 3.44Å; L105-H134 WeakPolarHBondContact CD2-CD2 3.37Å; V130-H134 WeakPolarHBondContact O-CB 3.48Å; V130-H134 PolarHBondContact O-N 2.92Å; L132-H134 VanDerWaalsContact C-N 3.34Å; H134-S136 PolarHBondContact O-N 2.65Å; H134-A137 PolarHBondContact O-N 3.24Å; H134-V138 HydrophobicContact CB-CG2 4.21Å; H134-V138 WeakPolarHBondContact O-CG2 3.5Å; H134-V138 PolarHBondContact O-N 3.47Å; H134-D499 IonicContact CE1-OD2 3.57Å; H134-D499 PolarHBondContact CE1-OD2 3.19Å; H134-D499 IonicContact NE2-OD1 2.64Å; H134-D499 PolarHBondContact NE2-OD1 3.2Å; H134-D499 IonicContact NE2-OD2 3.34Å; H134-D499 PolarHBondContact NE2-OD2 3.21Å
135F90.7Very high91.4Very high1 Ų136.7 Ų36.70%0.00421%0.209CC..Hα-helixtrans-53.5-37.6-172-175-96.7000113.4A131 A137 V138 S139 F144 L156 L161 I163 A172A131-F135 WeakPolarHBondContact O-CA 3.39Å; A131-F135 WeakPolarHBondContact O-CB 3.32Å; A131-F135 PolarHBondContact O-N 2.81Å; A131-F135 VanDerWaalsContact O-N 3.11Å; F135-A137 VanDerWaalsContact C-N 3.32Å; F135-A137 PolarHBondContact O-N 3.35Å; F135-V138 PolarHBondContact O-N 2.83Å; F135-S139 WeakPolarHBondContact O-CB 3.34Å; F135-S139 PolarHBondContact O-N 3.44Å; F135-S139 PolarHBondContact O-OG 2.68Å; F135-F144 AromaticContact CE2-CE2 3.92Å; F135-F144 HydrophobicContact CE2-CE2 3.92Å; F135-F144 HydrophobicContact CE2-CZ 4.3Å; F135-F144 HydrophobicContact CZ-CE2 4.22Å; F135-F144 HydrophobicContact CZ-CZ 4.14Å; F135-L156 HydrophobicContact CZ-CD2 3.98Å; F135-L161 HydrophobicContact CB-CD1 3.46Å; F135-L161 VanDerWaalsContact CB-CD1 3.46Å; F135-L161 HydrophobicContact CD1-CD1 4.11Å; F135-L161 HydrophobicContact CD2-CD1 3.64Å; F135-L161 HydrophobicContact CE2-CD1 4.37Å; F135-L161 HydrophobicContact CG-CD1 3.47Å; F135-L161 VanDerWaalsContact CG-CD1 3.47Å; F135-I163 HydrophobicContact CB-CG2 4.14Å; F135-I163 HydrophobicContact CD1-CG2 3.84Å; F135-I163 HydrophobicContact CG-CG2 4.37Å; F135-A172 HydrophobicContact CE1-CB 3.7Å; F135-A172 HydrophobicContact CZ-CB 3.77Å
136S88.6Confident91.4Very high55 Ų5537.8 Ų37.839%0.38522%0.218SC..Hα-helixtrans-62-38177.8-173.80000113H134 S139 S140 Q168H134-S136 PolarHBondContact O-N 2.65Å; S136-S139 PolarHBondContact O-OG 3.28Å; S136-S140 PolarHBondContact O-OG 2.93Å; S136-Q168 PolarHBondContact OG-NE2 2.95Å
137A90.2Very high91.4Very high46 Ų4637.3 Ų37.338%0.3821%0.214SC..Hα-helixtrans-79-43.3177.300000110.9L105 H134 F135 S139 S140L105-A137 HydrophobicContact CD1-CB 4.12Å; H134-A137 PolarHBondContact O-N 3.24Å; F135-A137 VanDerWaalsContact C-N 3.32Å; F135-A137 PolarHBondContact O-N 3.35Å; A137-S139 PolarHBondContact O-N 3.42Å; A137-S140 WeakPolarHBondContact O-CB 3.46Å; A137-S140 PolarHBondContact O-N 3.18Å
138V93Very high91.3Very high1 Ų139.5 Ų39.51%0.00623%0.229CC..Hα-helixtrans-65.3-39.3-178173.10000112L105 L109 H134 F135 S140 Q141L105-V138 HydrophobicContact CD2-CG2 4.39Å; L109-V138 HydrophobicContact CD1-CG1 3.58Å; L109-V138 HydrophobicContact CD2-CG1 3.72Å; L109-V138 HydrophobicContact CG-CG1 3.64Å; H134-V138 HydrophobicContact CB-CG2 4.21Å; H134-V138 WeakPolarHBondContact O-CG2 3.5Å; H134-V138 PolarHBondContact O-N 3.47Å; F135-V138 PolarHBondContact O-N 2.83Å; V138-S140 PolarHBondContact O-N 2.73Å; V138-S140 VanDerWaalsContact O-N 3.11Å; V138-Q141 WeakPolarHBondContact O-CB 3.43Å; V138-Q141 PolarHBondContact O-N 3.49Å
139S91.9Very high91.3Very high13 Ų1339.5 Ų39.59%0.09123%0.23CC..THydrogen-bonded Turntrans-64.4-15.5177.956.10000114.5F135 S136 A137F135-S139 WeakPolarHBondContact O-CB 3.34Å; F135-S139 PolarHBondContact O-N 3.44Å; F135-S139 PolarHBondContact O-OG 2.68Å; S136-S139 PolarHBondContact O-OG 3.28Å; A137-S139 PolarHBondContact O-N 3.42Å
140S90.6Very high91.4Very high95 Ų9543 Ų4366%0.66425%0.246SC*.THydrogen-bonded Turntrans-90.8-8.5177.1-59.60000113S136 A137 V138S136-S140 PolarHBondContact O-OG 2.93Å; A137-S140 WeakPolarHBondContact O-CB 3.46Å; A137-S140 PolarHBondContact O-N 3.18Å; V138-S140 PolarHBondContact O-N 2.73Å; V138-S140 VanDerWaalsContact O-N 3.11Å
141Q90.8Very high91.3Very high38 Ų3845.9 Ų45.918%0.17826%0.257CS..SBendtrans-82.5155.1178.8-63-178.4-1000112L105 V138 D143 F144L105-Q141 PolarHBondContact O-NE2 2.71Å; L105-Q141 PolarHBondContact O-OE1 2.93Å; V138-Q141 WeakPolarHBondContact O-CB 3.43Å; V138-Q141 PolarHBondContact O-N 3.49Å; Q141-D143 PolarHBondContact O-N 3.48Å; Q141-F144 VanDerWaalsContact O-CB 3.28Å; Q141-F144 WeakPolarHBondContact O-CB 3.27Å; Q141-F144 PolarHBondContact O-N 3.32Å
142E88.8Confident91.4Very high167 Ų16745.9 Ų45.978%0.7826%0.257SS*.G310 helixtrans-65.8-37.3178.2-64.4-172.4171.500112.3F144 L145E142-F144 PolarHBondContact O-N 2.81Å; E142-F144 VanDerWaalsContact O-N 3.09Å; E142-L145 WeakPolarHBondContact O-CB 3.4Å; E142-L145 PolarHBondContact O-N 3.2Å
143D90.5Very high91.5Very high73 Ų7347 Ų4739%0.3927%0.267SS..G310 helixtrans-58.3-25.3177.9-76.56.8000113.2L109 Q141 L145 C146L109-D143 HydrophobicContact CB-CB 4.44Å; L109-D143 HydrophobicContact CD1-CB 4.19Å; Q141-D143 PolarHBondContact O-N 3.48Å; D143-L145 PolarHBondContact O-N 3.46Å; D143-C146 WeakPolarHBondContact O-CB 3.42Å; D143-C146 PolarHBondContact O-N 3.07Å; D143-C146 VanDerWaalsContact O-N 3.1Å
144F93.8Very high91.7Very high0 Ų049.3 Ų49.30%028%0.279CS..G310 helixtrans-60.8-35.1174.4-174.4-101000112L109 F135 Q141 E142 C146 L147 L152 A172 W176L109-F144 VanDerWaalsContact CD1-CA 3.5Å; L109-F144 HydrophobicContact CD1-CB 4Å; L109-F144 HydrophobicContact CD1-CD2 4.26Å; F135-F144 AromaticContact CE2-CE2 3.92Å; F135-F144 HydrophobicContact CE2-CE2 3.92Å; F135-F144 HydrophobicContact CE2-CZ 4.3Å; F135-F144 HydrophobicContact CZ-CE2 4.22Å; F135-F144 HydrophobicContact CZ-CZ 4.14Å; Q141-F144 VanDerWaalsContact O-CB 3.28Å; Q141-F144 WeakPolarHBondContact O-CB 3.27Å; Q141-F144 PolarHBondContact O-N 3.32Å; E142-F144 PolarHBondContact O-N 2.81Å; E142-F144 VanDerWaalsContact O-N 3.09Å; F144-C146 PolarHBondContact O-N 2.99Å; F144-L147 HydrophobicContact CD2-CD1 3.62Å; F144-L147 HydrophobicContact CE2-CD1 3.84Å; F144-L147 HydrophobicContact CG-CD1 4.33Å; F144-L147 WeakPolarHBondContact O-CB 3.36Å; F144-L147 WeakPolarHBondContact O-CG 3.35Å; F144-L147 PolarHBondContact O-N 2.92Å; F144-L152 HydrophobicContact CE1-CD1 4.45Å; F144-L152 HydrophobicContact CE2-CD1 3.97Å; F144-L152 HydrophobicContact CZ-CD1 3.51Å; F144-A172 HydrophobicContact CE1-CB 4.18Å; F144-A172 HydrophobicContact CZ-CB 4.01Å; F144-W176 HydrophobicContact CE1-CB 3.97Å
145L92.3Very high91.8Very high46 Ų4648.2 Ų48.224%0.24127%0.274CS..G310 helixtrans-70.3-18178.9-57.8179.7000112.6E142 D143 L147 R183E142-L145 WeakPolarHBondContact O-CB 3.4Å; E142-L145 PolarHBondContact O-N 3.2Å; D143-L145 PolarHBondContact O-N 3.46Å; L145-L147 VanDerWaalsContact C-N 3.33Å; L145-R183 PolarHBondContact O-NH1 2.89Å; L145-R183 PolarHBondContact O-NH2 2.75Å
146C91.6Very high91.8Very high107 Ų10748.2 Ų48.272%0.72327%0.274SS*.G310 helixtrans-82.7-7.5176.5-63.20000113.4D143 F144D143-C146 WeakPolarHBondContact O-CB 3.42Å; D143-C146 PolarHBondContact O-N 3.07Å; D143-C146 VanDerWaalsContact O-N 3.1Å; F144-C146 PolarHBondContact O-N 2.99Å
147L93.3Very high91.8Very high7 Ų748.1 Ų48.14%0.03728%0.276CS..  trans-64.2143.6177.8-67.3177000111.8L109 M112 F144 L145 R151 L155 W176L109-L147 HydrophobicContact CD1-CD1 4.31Å; L109-L147 HydrophobicContact CD1-CG 4.46Å; L109-L147 HydrophobicContact CD2-CD1 4.26Å; L109-L147 HydrophobicContact CD2-CD2 4.29Å; M112-L147 HydrophobicContact CE-CD2 4.05Å; F144-L147 HydrophobicContact CD2-CD1 3.62Å; F144-L147 HydrophobicContact CE2-CD1 3.84Å; F144-L147 HydrophobicContact CG-CD1 4.33Å; F144-L147 WeakPolarHBondContact O-CB 3.36Å; F144-L147 WeakPolarHBondContact O-CG 3.35Å; F144-L147 PolarHBondContact O-N 2.92Å; L145-L147 VanDerWaalsContact C-N 3.33Å; L147-R151 HydrophobicContact CD2-CB 4.36Å; L147-L155 HydrophobicContact CD1-CD1 4.2Å; L147-W176 WeakPolarHBondContact O-CZ2 3.43Å; L147-W176 PolarHBondContact O-NE1 2.72Å
148S92.8Very high91.6Very high45 Ų4546.4 Ų46.432%0.31526%0.262SS..  trans-75161.1167.784.60000110.7E150 R151 L152S148-E150 VanDerWaalsContact C-N 3.25Å; S148-E150 VanDerWaalsContact CB-OE2 3.22Å; S148-E150 WeakPolarHBondContact CB-OE2 3.45Å; S148-E150 PolarHBondContact O-N 3.17Å; S148-E150 PolarHBondContact OG-N 3.13Å; S148-E150 PolarHBondContact OG-OE2 3.47Å; S148-R151 PolarHBondContact O-N 2.9Å; S148-R151 PolarHBondContact OG-N 3.46Å; S148-L152 PolarHBondContact O-N 2.87Å; S148-L152 VanDerWaalsContact O-N 3.07Å
149K93.6Very high90.9Very high43 Ų4349.9 Ų49.919%0.18728%0.28CS..Hα-helixtrans-53.4-45.5175.5177.4-164.1174.9-177.90111.4R151 L152 A153 W176 H186 E189 L190K149-R151 VanDerWaalsContact C-N 3.34Å; K149-R151 PolarHBondContact O-N 2.85Å; K149-L152 PolarHBondContact O-N 2.83Å; K149-A153 VanDerWaalsContact O-CB 3.3Å; K149-A153 WeakPolarHBondContact O-CB 3.35Å; K149-A153 PolarHBondContact O-N 3.37Å; K149-W176 HydrophobicContact CB-CH2 4.11Å; K149-H186 HydrophobicContact CD-CB 4.04Å; K149-H186 HydrophobicContact CG-CB 4.22Å; K149-E189 VanDerWaalsContact CE-OE2 3.29Å; K149-E189 WeakPolarHBondContact CE-OE2 3.36Å; K149-E189 IonicContact NZ-OE1 3.37Å; K149-E189 PolarHBondContact NZ-OE1 3.01Å; K149-E189 IonicContact NZ-OE2 2.98Å; K149-E189 PolarHBondContact NZ-OE2 2.75Å; K149-L190 HydrophobicContact CG-CD2 4.43Å
150E92.9Very high90.3Very high127 Ų12752.5 Ų52.559%0.59329%0.293SS*.Hα-helixtrans-64.1-40.6-175.3-5770-147.600111.2S148 A153 D154S148-E150 VanDerWaalsContact C-N 3.25Å; S148-E150 VanDerWaalsContact CB-OE2 3.22Å; S148-E150 WeakPolarHBondContact CB-OE2 3.45Å; S148-E150 PolarHBondContact O-N 3.17Å; S148-E150 PolarHBondContact OG-N 3.13Å; S148-E150 PolarHBondContact OG-OE2 3.47Å; E150-A153 PolarHBondContact O-N 3.15Å; E150-D154 WeakPolarHBondContact O-CB 3.48Å; E150-D154 PolarHBondContact O-N 3.41Å
151R92.1Very high90.1Very high60 Ų6048.2 Ų48.223%0.22626%0.263CS..Hα-helixtrans-71.4-40.2179-69.2-179.5174.7179.8-3.3112.2L147 S148 K149 D154 L155L147-R151 HydrophobicContact CD2-CB 4.36Å; S148-R151 PolarHBondContact O-N 2.9Å; S148-R151 PolarHBondContact OG-N 3.46Å; K149-R151 VanDerWaalsContact C-N 3.34Å; K149-R151 PolarHBondContact O-N 2.85Å; R151-D154 PolarHBondContact O-N 3.23Å; R151-L155 WeakPolarHBondContact O-CG 3.5Å; R151-L155 PolarHBondContact O-N 2.83Å; R151-L155 VanDerWaalsContact O-N 3.12Å
152L94.4Very high89.6Confident0 Ų048.4 Ų48.40%027%0.271CS..Hα-helixtrans-64.4-43.5174.4178.458000111F144 S148 K149 D154 L155 L156 W176 L190F144-L152 HydrophobicContact CE1-CD1 4.45Å; F144-L152 HydrophobicContact CE2-CD1 3.97Å; F144-L152 HydrophobicContact CZ-CD1 3.51Å; S148-L152 PolarHBondContact O-N 2.87Å; S148-L152 VanDerWaalsContact O-N 3.07Å; K149-L152 PolarHBondContact O-N 2.83Å; L152-D154 VanDerWaalsContact C-N 3.33Å; L152-D154 PolarHBondContact O-N 3Å; L152-L155 PolarHBondContact O-N 3.14Å; L152-L156 HydrophobicContact CD1-CD1 4.04Å; L152-L156 HydrophobicContact CD1-CG 4.07Å; L152-L156 HydrophobicContact CG-CD1 3.94Å; L152-L156 HydrophobicContact CG-CG 4.4Å; L152-L156 WeakPolarHBondContact O-CG 3.41Å; L152-L156 PolarHBondContact O-N 3.09Å; L152-W176 HydrophobicContact CD2-CB 3.94Å; L152-W176 HydrophobicContact CD2-CD2 3.59Å; L152-W176 HydrophobicContact CD2-CE3 3.83Å; L152-W176 HydrophobicContact CD2-CG 3.63Å; L152-L190 HydrophobicContact CD2-CD1 3.89Å; L152-L190 HydrophobicContact CD2-CD2 4.47Å; L152-L190 HydrophobicContact CG-CD2 4.34Å
153A92.4Very high89.1Confident25 Ų2541.5 Ų41.521%0.20724%0.239CC..Hα-helixtrans-59.4-43.4175.200000111.8K149 E150 L155 L156 A157 L190 L193K149-A153 VanDerWaalsContact O-CB 3.3Å; K149-A153 WeakPolarHBondContact O-CB 3.35Å; K149-A153 PolarHBondContact O-N 3.37Å; E150-A153 PolarHBondContact O-N 3.15Å; A153-L155 PolarHBondContact O-N 3.38Å; A153-L156 PolarHBondContact O-N 2.96Å; A153-A157 WeakPolarHBondContact O-CB 3.49Å; A153-A157 PolarHBondContact O-N 3.47Å; A153-L190 HydrophobicContact CB-CD2 3.89Å; A153-L193 HydrophobicContact CB-CD1 3.74Å; A153-L193 WeakPolarHBondContact O-CD1 3.4Å
154D91.5Very high88.2Confident62 Ų6243.8 Ų43.833%0.33225%0.246SC..Hα-helixtrans-60-40.8176.5178.771.3000113R128 E150 R151 L152 S158R128-D154 IonicContact CZ-OD2 3.25Å; R128-D154 IonicContact NE-OD2 2.71Å; R128-D154 PolarHBondContact NE-OD2 3.4Å; R128-D154 PolarHBondContact NH2-O 2.82Å; R128-D154 IonicContact NH2-OD1 3.64Å; R128-D154 IonicContact NH2-OD2 3.5Å; R128-D154 PolarHBondContact NH2-OD2 3.45Å; E150-D154 WeakPolarHBondContact O-CB 3.48Å; E150-D154 PolarHBondContact O-N 3.41Å; R151-D154 PolarHBondContact O-N 3.23Å; L152-D154 VanDerWaalsContact C-N 3.33Å; L152-D154 PolarHBondContact O-N 3Å; D154-S158 PolarHBondContact O-N 3.08Å
155L92.4Very high87.5Confident1 Ų148.7 Ų48.71%0.00526%0.264CS..Hα-helixtrans-67.5-46.4175.5-67.3175.5000111.9R128 A131 L132 L147 R151 L152 A153 A157 S158R128-L155 HydrophobicContact CG-CD2 4.02Å; A131-L155 HydrophobicContact CB-CD2 4.22Å; L132-L155 HydrophobicContact CD2-CB 4.36Å; L132-L155 HydrophobicContact CD2-CD2 3.77Å; L132-L155 HydrophobicContact CG-CD2 4.04Å; L147-L155 HydrophobicContact CD1-CD1 4.2Å; R151-L155 WeakPolarHBondContact O-CG 3.5Å; R151-L155 PolarHBondContact O-N 2.83Å; R151-L155 VanDerWaalsContact O-N 3.12Å; L152-L155 PolarHBondContact O-N 3.14Å; A153-L155 PolarHBondContact O-N 3.38Å; L155-A157 PolarHBondContact O-N 3.01Å; L155-S158 VanDerWaalsContact O-CB 3.29Å; L155-S158 WeakPolarHBondContact O-CB 3.39Å; L155-S158 PolarHBondContact O-N 3.26Å
156L90.2Very high87.2Confident1 Ų146.8 Ų46.81%0.00525%0.254CS..Hα-helixtrans-66.8-35.8-178.2-69.6175.1000112.9F135 L152 A153 S158 L161 A169 T173 L190 L193F135-L156 HydrophobicContact CZ-CD2 3.98Å; L152-L156 HydrophobicContact CD1-CD1 4.04Å; L152-L156 HydrophobicContact CD1-CG 4.07Å; L152-L156 HydrophobicContact CG-CD1 3.94Å; L152-L156 HydrophobicContact CG-CG 4.4Å; L152-L156 WeakPolarHBondContact O-CG 3.41Å; L152-L156 PolarHBondContact O-N 3.09Å; A153-L156 PolarHBondContact O-N 2.96Å; L156-S158 PolarHBondContact O-N 3.33Å; L156-L161 HydrophobicContact CD2-CD2 4.35Å; L156-A169 HydrophobicContact CD2-CB 3.85Å; L156-T173 WeakPolarHBondContact CD1-OG1 3.47Å; L156-L190 HydrophobicContact CD1-CD2 4.42Å; L156-L193 HydrophobicContact CB-CB 3.96Å; L156-L193 HydrophobicContact CB-CD1 4.03Å
157A88.2Confident87Confident53 Ų5342.7 Ų42.744%0.43823%0.225SC..Hα-helixtrans-72.7-17.117800000113.1A153 L155 L193A153-A157 WeakPolarHBondContact O-CB 3.49Å; A153-A157 PolarHBondContact O-N 3.47Å; L155-A157 PolarHBondContact O-N 3.01Å; A157-L193 HydrophobicContact CB-CD1 4.48Å; A157-L193 HydrophobicContact CB-CD2 4.13Å
158S86.7Confident86.8Confident11 Ų1145.6 Ų45.68%0.07724%0.238CC..  trans-66135.2-177.3-164.50000112.3R128 L132 D154 L155 L156 D160 L161 R240R128-S158 PolarHBondContact NH2-OG 3.27Å; L132-S158 WeakPolarHBondContact CD1-OG 3.47Å; D154-S158 PolarHBondContact O-N 3.08Å; L155-S158 VanDerWaalsContact O-CB 3.29Å; L155-S158 WeakPolarHBondContact O-CB 3.39Å; L155-S158 PolarHBondContact O-N 3.26Å; L156-S158 PolarHBondContact O-N 3.33Å; S158-D160 VanDerWaalsContact C-N 3.31Å; S158-D160 PolarHBondContact OG-N 2.97Å; S158-L161 WeakPolarHBondContact O-CB 3.35Å; S158-R240 PolarHBondContact O-NE 3.2Å
159D78.6Confident86.6Confident74 Ų7443.4 Ų43.440%0.39622%0.223SC..THydrogen-bonded Turntrans-76.4-21.1172.5-74.8-40.3000112.7L161 R195D159-L161 PolarHBondContact O-N 3.16Å; D159-R195 IonicContact OD1-NH2 2.6Å; D159-R195 PolarHBondContact OD1-NH2 2.8Å; D159-R195 VanDerWaalsContact OD1-NH2 3.08Å
160D79.7Confident86.5Confident67 Ų6741.4 Ų41.436%0.35822%0.215SC..THydrogen-bonded Turntrans-83.37176-60.2-53.7000113.2L132 S158 A162 R525L132-D160 HydrophobicContact CD1-CB 4.24Å; S158-D160 VanDerWaalsContact C-N 3.31Å; S158-D160 PolarHBondContact OG-N 2.97Å; D160-A162 PolarHBondContact O-N 3.48Å; D160-R525 IonicContact OD1-CZ 3.45Å; D160-R525 IonicContact OD1-NH2 2.83Å; D160-R525 PolarHBondContact OD1-NH2 3.08Å
161L84.8Confident86.3Confident6 Ų637.4 Ų37.43%0.03120%0.196CC..  trans-68.8104178.9179.358.9000111.1L132 F135 L156 S158 D159 I163 R240L132-L161 HydrophobicContact CD2-CB 4.09Å; L132-L161 HydrophobicContact CD2-CD1 3.92Å; F135-L161 HydrophobicContact CB-CD1 3.46Å; F135-L161 VanDerWaalsContact CB-CD1 3.46Å; F135-L161 HydrophobicContact CD1-CD1 4.11Å; F135-L161 HydrophobicContact CD2-CD1 3.64Å; F135-L161 HydrophobicContact CE2-CD1 4.37Å; F135-L161 HydrophobicContact CG-CD1 3.47Å; F135-L161 VanDerWaalsContact CG-CD1 3.47Å; L156-L161 HydrophobicContact CD2-CD2 4.35Å; S158-L161 WeakPolarHBondContact O-CB 3.35Å; D159-L161 PolarHBondContact O-N 3.16Å; L161-I163 HydrophobicContact CD1-CG2 4.31Å; L161-I163 HydrophobicContact CD2-CD1 4.33Å; L161-I163 HydrophobicContact CG-CG2 4.24Å; L161-I163 PolarHBondContact O-N 2.82Å; L161-R240 PolarHBondContact O-NH1 3.47Å
162A80.8Confident86.3Confident42 Ų4234.8 Ų34.835%0.34719%0.187SC..  trans-80.974.1-172.200000112.3L132 D160L132-A162 PolarHBondContact O-N 3.49Å; D160-A162 PolarHBondContact O-N 3.48Å
163I78.6Confident86.3Confident21 Ų2134.8 Ų34.811%0.10819%0.187CC..  trans-120.1146.4170.570-173.6000110.3F135 L161 R165 Q168 A169F135-I163 HydrophobicContact CB-CG2 4.14Å; F135-I163 HydrophobicContact CD1-CG2 3.84Å; F135-I163 HydrophobicContact CG-CG2 4.37Å; L161-I163 HydrophobicContact CD1-CG2 4.31Å; L161-I163 HydrophobicContact CD2-CD1 4.33Å; L161-I163 HydrophobicContact CG-CG2 4.24Å; L161-I163 PolarHBondContact O-N 2.82Å; I163-R165 VanDerWaalsContact CD1-O 3.3Å; I163-R165 WeakPolarHBondContact CD1-O 3.22Å; I163-R165 WeakPolarHBondContact CG1-O 3.41Å; I163-Q168 HydrophobicContact CB-CB 4.46Å; I163-Q168 VanDerWaalsContact CB-OE1 3.28Å; I163-Q168 HydrophobicContact CG2-CB 4.39Å; I163-A169 HydrophobicContact CD1-CB 3.74Å
164F72.5Confident86.2Confident121 Ų12133.7 Ų33.753%0.53118%0.178SC..SBendtrans-69.3-36.3178.3-177.9-111.1000112.1Q267F164-Q267 HydrophobicContact CD2-CB 4.05Å
165R78.8Confident86.2Confident103 Ų10333.6 Ų33.639%0.38918%0.175SC..SBendtrans-147.3151.8179.3-70.2-176.5178.4170.1-3.6111.2I163 D167 Q168I163-R165 VanDerWaalsContact CD1-O 3.3Å; I163-R165 WeakPolarHBondContact CD1-O 3.22Å; I163-R165 WeakPolarHBondContact CG1-O 3.41Å; R165-D167 HydrophobicContact CB-CB 4.23Å; R165-D167 PolarHBondContact O-N 2.89Å; R165-D167 VanDerWaalsContact O-N 3.1Å; R165-Q168 PolarHBondContact O-N 3.48Å
166D85.4Confident86.3Confident6 Ų633.8 Ų33.83%0.03218%0.176CC..THydrogen-bonded Turntrans-68.4-4.8175.3-79.6-82000113.7Q168 A169 L170 V194 S198 L199 R240D166-Q168 PolarHBondContact O-N 3.08Å; D166-A169 PolarHBondContact O-N 2.86Å; D166-A169 VanDerWaalsContact O-N 3.16Å; D166-L170 WeakPolarHBondContact O-CB 3.34Å; D166-L170 PolarHBondContact O-N 3.15Å; D166-V194 HydrophobicContact CB-CG1 4Å; D166-S198 PolarHBondContact N-OG 2.91Å; D166-S198 WeakPolarHBondContact OD2-CB 3.35Å; D166-S198 PolarHBondContact OD2-OG 2.97Å; D166-L199 HydrophobicContact CB-CD2 4.18Å; D166-R240 IonicContact OD1-CZ 2.95Å; D166-R240 IonicContact OD1-NH1 3.15Å; D166-R240 IonicContact OD1-NH2 3.13Å; D166-R240 PolarHBondContact OD1-NH2 3.5Å
167D88.1Confident86.4Confident22 Ų2233.9 Ų33.912%0.11818%0.177CC..Hα-helixtrans-49.1-43165.6-63.6-8.1000110.8R165 E171 L199 S200 F203R165-D167 HydrophobicContact CB-CB 4.23Å; R165-D167 PolarHBondContact O-N 2.89Å; R165-D167 VanDerWaalsContact O-N 3.1Å; D167-E171 WeakPolarHBondContact O-CB 3.33Å; D167-E171 PolarHBondContact O-N 2.93Å; D167-L199 VanDerWaalsContact OD1-CA 3.26Å; D167-L199 WeakPolarHBondContact OD1-CA 3.48Å; D167-S200 PolarHBondContact OD1-N 3.38Å; D167-S200 VanDerWaalsContact OD2-CB 3.25Å; D167-S200 WeakPolarHBondContact OD2-CB 3.49Å; D167-S200 PolarHBondContact OD2-OG 2.91Å; D167-F203 HydrophobicContact CB-CB 4.28Å; D167-F203 HydrophobicContact CB-CD1 4.05Å; D167-F203 HydrophobicContact CB-CD2 3.99Å; D167-F203 HydrophobicContact CB-CE1 4.37Å; D167-F203 HydrophobicContact CB-CE2 4.33Å; D167-F203 HydrophobicContact CB-CG 3.84Å; D167-F203 VanDerWaalsContact CG-CB 3.49Å; D167-F203 WeakPolarHBondContact OD1-CD1 3.39Å; D167-F203 WeakPolarHBondContact OD2-CB 3.21Å
168Q87.6Confident86.5Confident67 Ų6733.3 Ų33.331%0.31317%0.169SC..Hα-helixtrans-71.4-40.3-179.3-68.5179.3-32.600112.3S136 I163 R165 D166 L170 E171 A172S136-Q168 PolarHBondContact OG-NE2 2.95Å; I163-Q168 HydrophobicContact CB-CB 4.46Å; I163-Q168 VanDerWaalsContact CB-OE1 3.28Å; I163-Q168 HydrophobicContact CG2-CB 4.39Å; R165-Q168 PolarHBondContact O-N 3.48Å; D166-Q168 PolarHBondContact O-N 3.08Å; Q168-L170 VanDerWaalsContact C-N 3.32Å; Q168-L170 PolarHBondContact O-N 3.24Å; Q168-E171 PolarHBondContact O-N 2.91Å; Q168-A172 VanDerWaalsContact O-CB 3.28Å; Q168-A172 WeakPolarHBondContact O-CB 3.44Å; Q168-A172 PolarHBondContact O-N 3.2Å
169A90.1Very high86.6Confident0 Ų035.4 Ų35.40%018%0.184CC..Hα-helixtrans-63.5-40.8176.500000111.4L156 I163 D166 T173 V194L156-A169 HydrophobicContact CD2-CB 3.85Å; I163-A169 HydrophobicContact CD1-CB 3.74Å; D166-A169 PolarHBondContact O-N 2.86Å; D166-A169 VanDerWaalsContact O-N 3.16Å; A169-T173 WeakPolarHBondContact O-CB 3.48Å; A169-T173 PolarHBondContact O-N 2.74Å; A169-T173 PolarHBondContact O-OG1 2.86Å; A169-V194 HydrophobicContact CB-CG2 4.22Å
170L90.1Very high87.1Confident1 Ų134.5 Ų34.51%0.00518%0.179CC..Hα-helixtrans-66.3-49.2176.8-177.235.2000111.8D166 Q168 A172 T173 M174 I191 V194 L199 F203 L207 W232D166-L170 WeakPolarHBondContact O-CB 3.34Å; D166-L170 PolarHBondContact O-N 3.15Å; Q168-L170 VanDerWaalsContact C-N 3.32Å; Q168-L170 PolarHBondContact O-N 3.24Å; L170-A172 VanDerWaalsContact C-N 3.34Å; L170-A172 PolarHBondContact O-N 2.84Å; L170-T173 PolarHBondContact O-N 2.94Å; L170-M174 HydrophobicContact CD1-CE 4.2Å; L170-M174 HydrophobicContact CD1-CG 4.03Å; L170-M174 HydrophobicContact CD1-SD 4.15Å; L170-M174 HydrophobicContact CG-CE 4.06Å; L170-M174 WeakPolarHBondContact O-CG 3.45Å; L170-M174 PolarHBondContact O-N 3.28Å; L170-I191 HydrophobicContact CD1-CD1 3.16Å; L170-I191 HydrophobicContact CD2-CD1 4.22Å; L170-I191 HydrophobicContact CG-CD1 4.24Å; L170-V194 HydrophobicContact CB-CG1 4.04Å; L170-L199 HydrophobicContact CB-CD2 4.42Å; L170-L199 HydrophobicContact CD2-CD1 4.02Å; L170-L199 HydrophobicContact CD2-CD2 4.02Å; L170-F203 HydrophobicContact CB-CE1 4.2Å; L170-F203 HydrophobicContact CB-CZ 4.24Å; L170-F203 HydrophobicContact CD2-CE1 3.8Å; L170-F203 HydrophobicContact CD2-CZ 4.4Å; L170-F203 HydrophobicContact CG-CE1 4Å; L170-F203 HydrophobicContact CG-CZ 4.11Å; L170-L207 HydrophobicContact CD2-CD1 4.11Å; L170-W232 HydrophobicContact CD2-CH2 4.22Å
171E89.9Confident87.3Confident43 Ų4336.5 Ų36.520%0.20120%0.196CC..Hα-helixtrans-60-43.3177.2-172.477-140.300111.5D167 Q168 T173 M174 H175 K206 R217D167-E171 WeakPolarHBondContact O-CB 3.33Å; D167-E171 PolarHBondContact O-N 2.93Å; Q168-E171 PolarHBondContact O-N 2.91Å; E171-T173 PolarHBondContact O-N 2.78Å; E171-M174 HydrophobicContact CB-CE 4.48Å; E171-M174 PolarHBondContact O-N 2.89Å; E171-H175 WeakPolarHBondContact O-CB 3.46Å; E171-H175 PolarHBondContact O-N 3.33Å; E171-K206 IonicContact OE2-NZ 2.86Å; E171-K206 PolarHBondContact OE2-NZ 3.28Å; E171-R217 IonicContact OE1-CZ 3.51Å; E171-R217 IonicContact OE1-NH1 3.96Å; E171-R217 PolarHBondContact OE1-NH1 2.84Å
172A92.4Very high87.6Confident4 Ų444 Ų443%0.03323%0.228CC..Hα-helixtrans-61.7-42.6176.100000112.3F135 F144 Q168 L170 H175 W176F135-A172 HydrophobicContact CE1-CB 3.7Å; F135-A172 HydrophobicContact CZ-CB 3.77Å; F144-A172 HydrophobicContact CE1-CB 4.18Å; F144-A172 HydrophobicContact CZ-CB 4.01Å; Q168-A172 VanDerWaalsContact O-CB 3.28Å; Q168-A172 WeakPolarHBondContact O-CB 3.44Å; Q168-A172 PolarHBondContact O-N 3.2Å; L170-A172 VanDerWaalsContact C-N 3.34Å; L170-A172 PolarHBondContact O-N 2.84Å; A172-H175 WeakPolarHBondContact O-CB 3.4Å; A172-H175 PolarHBondContact O-N 2.69Å; A172-W176 PolarHBondContact O-N 3.46Å
173T92.9Very high88.1Confident0 Ų044.1 Ų44.10%022%0.219CC..Hα-helixtrans-63-46.3176.8-57.70000111.2L156 A169 L170 E171 H175 W176 V177 F187 L190L156-T173 WeakPolarHBondContact CD1-OG1 3.47Å; A169-T173 WeakPolarHBondContact O-CB 3.48Å; A169-T173 PolarHBondContact O-N 2.74Å; A169-T173 PolarHBondContact O-OG1 2.86Å; L170-T173 PolarHBondContact O-N 2.94Å; E171-T173 PolarHBondContact O-N 2.78Å; T173-H175 VanDerWaalsContact C-N 3.31Å; T173-H175 PolarHBondContact O-N 2.79Å; T173-W176 PolarHBondContact O-N 3.44Å; T173-V177 WeakPolarHBondContact O-CG2 3.48Å; T173-V177 PolarHBondContact O-N 3.45Å; T173-F187 HydrophobicContact CG2-CD2 4.34Å; T173-F187 HydrophobicContact CG2-CE2 4.5Å; T173-L190 HydrophobicContact CG2-CB 3.67Å; T173-L190 HydrophobicContact CG2-CD1 4.2Å
174M90.6Very high88.4Confident3 Ų346.3 Ų46.32%0.01523%0.229CC..Hα-helixtrans-62.7-39.6176.3-71.8-176.5-59.900111.8L170 E171 S178 F187 F203 L207 L220 I221L170-M174 HydrophobicContact CD1-CE 4.2Å; L170-M174 HydrophobicContact CD1-CG 4.03Å; L170-M174 HydrophobicContact CD1-SD 4.15Å; L170-M174 HydrophobicContact CG-CE 4.06Å; L170-M174 WeakPolarHBondContact O-CG 3.45Å; L170-M174 PolarHBondContact O-N 3.28Å; E171-M174 HydrophobicContact CB-CE 4.48Å; E171-M174 PolarHBondContact O-N 2.89Å; M174-S178 WeakPolarHBondContact O-CB 3.4Å; M174-S178 PolarHBondContact O-N 3.33Å; M174-S178 PolarHBondContact O-OG 3.18Å; M174-F187 HydrophobicContact CG-CE2 3.99Å; M174-F187 HydrophobicContact CG-CZ 4.5Å; M174-F203 HydrophobicContact CE-CZ 4.32Å; M174-L207 HydrophobicContact CE-CD2 3.87Å; M174-L207 HydrophobicContact SD-CD2 4.28Å; M174-L220 HydrophobicContact CB-CD1 4.46Å; M174-L220 HydrophobicContact CG-CD1 4.5Å; M174-I221 HydrophobicContact SD-CG1 4.08Å
175H90.8Very high89.2Confident60 Ų6047.1 Ų47.128%0.27824%0.235SC..Hα-helixtrans-61-47.3176.7-175.9-125.1000111.4E171 A172 T173 S178 S179E171-H175 WeakPolarHBondContact O-CB 3.46Å; E171-H175 PolarHBondContact O-N 3.33Å; A172-H175 WeakPolarHBondContact O-CB 3.4Å; A172-H175 PolarHBondContact O-N 2.69Å; T173-H175 VanDerWaalsContact C-N 3.31Å; T173-H175 PolarHBondContact O-N 2.79Å; H175-S178 PolarHBondContact O-N 2.98Å; H175-S179 PolarHBondContact O-N 3.31Å
176W94.8Very high89.7Confident4 Ų444.1 Ų44.12%0.01523%0.225CC..Hα-helixtrans-66.9-37.8179.1-178.592.9000113.8F144 L147 K149 L152 A172 T173 S179 R183 L190F144-W176 HydrophobicContact CE1-CB 3.97Å; L147-W176 WeakPolarHBondContact O-CZ2 3.43Å; L147-W176 PolarHBondContact O-NE1 2.72Å; K149-W176 HydrophobicContact CB-CH2 4.11Å; L152-W176 HydrophobicContact CD2-CB 3.94Å; L152-W176 HydrophobicContact CD2-CD2 3.59Å; L152-W176 HydrophobicContact CD2-CE3 3.83Å; L152-W176 HydrophobicContact CD2-CG 3.63Å; A172-W176 PolarHBondContact O-N 3.46Å; T173-W176 PolarHBondContact O-N 3.44Å; W176-S179 PolarHBondContact O-OG 3.27Å; W176-R183 HydrophobicContact CE3-CB 4.38Å; W176-R183 HydrophobicContact CH2-CB 4.18Å; W176-R183 HydrophobicContact CH2-CG 3.8Å; W176-R183 HydrophobicContact CZ2-CG 4.33Å; W176-R183 HydrophobicContact CZ3-CB 3.81Å; W176-R183 HydrophobicContact CZ3-CG 3.92Å; W176-R183 WeakPolarHBondContact O-CD 3.42Å; W176-R183 PolarHBondContact O-NH1 3.4Å; W176-R183 VanDerWaalsContact O-NH1 3.11Å; W176-L190 HydrophobicContact CE3-CD1 3.87Å; W176-L190 HydrophobicContact CZ3-CD1 3.66Å
177V92.6Very high90Very high4 Ų443.8 Ų43.82%0.02422%0.223CC..Hα-helixtrans-71.9-39.3176.6172.90000111T173 S179 D180 R183 E184 F187 L190 L220T173-V177 WeakPolarHBondContact O-CG2 3.48Å; T173-V177 PolarHBondContact O-N 3.45Å; V177-S179 PolarHBondContact O-N 3.47Å; V177-D180 PolarHBondContact O-N 3.46Å; V177-D180 VanDerWaalsContact O-O 3.1Å; V177-R183 HydrophobicContact CG1-CB 4.38Å; V177-E184 HydrophobicContact CG1-CB 4.5Å; V177-F187 HydrophobicContact CB-CD2 4.49Å; V177-F187 HydrophobicContact CG1-CB 4.2Å; V177-F187 HydrophobicContact CG2-CB 4.19Å; V177-F187 HydrophobicContact CG2-CD2 4.06Å; V177-L190 HydrophobicContact CG2-CD1 4.47Å; V177-L220 HydrophobicContact CB-CD1 4.01Å; V177-L220 HydrophobicContact CG1-CD1 3.77Å; V177-L220 HydrophobicContact CG1-CD2 3.71Å; V177-L220 HydrophobicContact CG1-CG 4.4Å
178S89.7Confident89.9Confident40 Ų4045.1 Ų45.128%0.2823%0.23SC..Hα-helixtrans-68.8-14.5-177.2-58.10000113.4M174 H175M174-S178 WeakPolarHBondContact O-CB 3.4Å; M174-S178 PolarHBondContact O-N 3.33Å; M174-S178 PolarHBondContact O-OG 3.18Å; H175-S178 PolarHBondContact O-N 2.98Å
179S90.1Very high89.9Confident55 Ų5546.9 Ų46.939%0.38524%0.238SC..THydrogen-bonded Turntrans-78.3-23.9-17972.80000114.1H175 W176 V177 R183H175-S179 PolarHBondContact O-N 3.31Å; W176-S179 PolarHBondContact O-OG 3.27Å; V177-S179 PolarHBondContact O-N 3.47Å; S179-R183 PolarHBondContact OG-NH1 3.38Å
180D88.1Confident89.8Confident56 Ų5646.9 Ų46.930%0.29924%0.239SC..  trans-140.1117.8175.6179.5-4.8000109.8V177 K182 R183V177-D180 PolarHBondContact O-N 3.46Å; V177-D180 VanDerWaalsContact O-O 3.1Å; D180-K182 PolarHBondContact O-N 3.39Å; D180-K182 WeakPolarHBondContact OD1-CB 3.35Å; D180-K182 PolarHBondContact OD1-N 2.88Å; D180-R183 HydrophobicContact CB-CG 3.97Å; D180-R183 WeakPolarHBondContact O-CB 3.29Å; D180-R183 PolarHBondContact O-N 3.44Å
181P85.6Confident89.7Confident109 Ų10946.9 Ų46.971%0.70824%0.238SC*.G310 helixtrans-52.3-28.2178.7-27.234.8000114.8R183 E184P181-R183 PolarHBondContact O-N 3.27Å; P181-E184 WeakPolarHBondContact O-CB 3.19Å; P181-E184 PolarHBondContact O-N 3.14Å
182K89.4Confident89.6Confident164 Ų16449.6 Ų49.671%0.71325%0.251SS*.G310 helixtrans-65.1-24.9177.9-65.1176.7-177.8174.30112.8D180 E184D180-K182 PolarHBondContact O-N 3.39Å; D180-K182 WeakPolarHBondContact OD1-CB 3.35Å; D180-K182 PolarHBondContact OD1-N 2.88Å; K182-E184 VanDerWaalsContact C-N 3.25Å; K182-E184 PolarHBondContact O-N 3.38Å
183R90.9Very high89.3Confident43 Ų4352 Ų5216%0.16226%0.263CS..G310 helixtrans-77.3-10.4-177.4-62.7173.9-178.2-174.4-6113.2L145 W176 V177 S179 D180 P181 E185 H186L145-R183 PolarHBondContact O-NH1 2.89Å; L145-R183 PolarHBondContact O-NH2 2.75Å; W176-R183 HydrophobicContact CE3-CB 4.38Å; W176-R183 HydrophobicContact CH2-CB 4.18Å; W176-R183 HydrophobicContact CH2-CG 3.8Å; W176-R183 HydrophobicContact CZ2-CG 4.33Å; W176-R183 HydrophobicContact CZ3-CB 3.81Å; W176-R183 HydrophobicContact CZ3-CG 3.92Å; W176-R183 WeakPolarHBondContact O-CD 3.42Å; W176-R183 PolarHBondContact O-NH1 3.4Å; W176-R183 VanDerWaalsContact O-NH1 3.11Å; V177-R183 HydrophobicContact CG1-CB 4.38Å; S179-R183 PolarHBondContact OG-NH1 3.38Å; D180-R183 HydrophobicContact CB-CG 3.97Å; D180-R183 WeakPolarHBondContact O-CB 3.29Å; D180-R183 PolarHBondContact O-N 3.44Å; P181-R183 PolarHBondContact O-N 3.27Å; R183-E185 PolarHBondContact O-N 3.34Å; R183-E185 VanDerWaalsContact O-N 3.14Å; R183-H186 WeakPolarHBondContact O-CB 3.22Å; R183-H186 PolarHBondContact O-N 2.91Å
184E86.7Confident88.9Confident68 Ų6852.1 Ų52.132%0.31826%0.264SS..G310 helixtrans-59.7-25.3-179-174172-173.300112.9V177 P181 K182 H186 L220 K223V177-E184 HydrophobicContact CG1-CB 4.5Å; P181-E184 WeakPolarHBondContact O-CB 3.19Å; P181-E184 PolarHBondContact O-N 3.14Å; K182-E184 VanDerWaalsContact C-N 3.25Å; K182-E184 PolarHBondContact O-N 3.38Å; E184-H186 VanDerWaalsContact C-N 3.33Å; E184-L220 HydrophobicContact CG-CD2 3.95Å; E184-K223 PolarHBondContact O-NZ 3.17Å
185E88.2Confident88.4Confident137 Ų13753.5 Ų53.564%0.6427%0.269SS*.G310 helixtrans-69-30.2174.273.8-176.3-177.500112.8R183R183-E185 PolarHBondContact O-N 3.34Å; R183-E185 VanDerWaalsContact O-N 3.14Å
186H90.6Very high87.7Confident40 Ų4052.6 Ų52.619%0.18527%0.268CS..THydrogen-bonded Turntrans-84.4-11.6-178.7-54.1-37000113.7K149 R183 E184 L188 E189 L190K149-H186 HydrophobicContact CD-CB 4.04Å; K149-H186 HydrophobicContact CG-CB 4.22Å; R183-H186 WeakPolarHBondContact O-CB 3.22Å; R183-H186 PolarHBondContact O-N 2.91Å; E184-H186 VanDerWaalsContact C-N 3.33Å; H186-L188 VanDerWaalsContact C-N 3.34Å; H186-L188 PolarHBondContact O-N 3.29Å; H186-E189 PolarHBondContact O-N 2.81Å; H186-E189 VanDerWaalsContact O-N 3.15Å; H186-L190 HydrophobicContact CB-CD1 4.49Å; H186-L190 PolarHBondContact O-N 2.85Å; H186-L190 VanDerWaalsContact O-N 3.1Å
187F89.7Confident86.8Confident0 Ų058 Ų580%029%0.293CS..Hα-helixtrans-56.4-45.2-174.2177.6-113.5000113.1T173 M174 V177 E189 L190 I191 L220 L224T173-F187 HydrophobicContact CG2-CD2 4.34Å; T173-F187 HydrophobicContact CG2-CE2 4.5Å; M174-F187 HydrophobicContact CG-CE2 3.99Å; M174-F187 HydrophobicContact CG-CZ 4.5Å; V177-F187 HydrophobicContact CB-CD2 4.49Å; V177-F187 HydrophobicContact CG1-CB 4.2Å; V177-F187 HydrophobicContact CG2-CB 4.19Å; V177-F187 HydrophobicContact CG2-CD2 4.06Å; F187-E189 VanDerWaalsContact C-N 3.29Å; F187-E189 PolarHBondContact O-N 2.96Å; F187-L190 PolarHBondContact O-N 3.12Å; F187-I191 WeakPolarHBondContact O-CB 3.47Å; F187-I191 WeakPolarHBondContact O-CG2 3.4Å; F187-I191 PolarHBondContact O-N 3.01Å; F187-L220 HydrophobicContact CB-CD2 4.28Å; F187-L220 HydrophobicContact CD1-CB 4.45Å; F187-L220 HydrophobicContact CD1-CD2 4.14Å; F187-L220 HydrophobicContact CD2-CD1 4.41Å; F187-L220 HydrophobicContact CD2-CD2 4.27Å; F187-L220 HydrophobicContact CE1-CB 4.07Å; F187-L220 VanDerWaalsContact CE1-O 3.28Å; F187-L220 WeakPolarHBondContact CE1-O 3.35Å; F187-L220 HydrophobicContact CE2-CB 4.22Å; F187-L220 HydrophobicContact CE2-CD1 4.45Å; F187-L220 HydrophobicContact CG-CD2 3.96Å; F187-L220 HydrophobicContact CZ-CB 3.95Å; F187-L224 HydrophobicContact CE1-CB 4.16Å
188L86.5Confident86Confident49 Ų4959.8 Ų59.826%0.25731%0.306SS..Hα-helixtrans-68.5-27.2-178.3-67.6178.6000112.8H186 I191 E192 K223 Y227H186-L188 VanDerWaalsContact C-N 3.34Å; H186-L188 PolarHBondContact O-N 3.29Å; L188-I191 VanDerWaalsContact O-CG2 3.28Å; L188-I191 WeakPolarHBondContact O-CG2 3.4Å; L188-E192 WeakPolarHBondContact O-CG 3.41Å; L188-K223 HydrophobicContact CD2-CG 4.47Å; L188-Y227 HydrophobicContact CD1-CG 4.5Å
189E87.5Confident85.7Confident104 Ų10458.8 Ų58.849%0.48630%0.298SS..Hα-helixtrans-77.8-38.5175.3-65.3-178.8-122.700111.6K149 H186 F187K149-E189 VanDerWaalsContact CE-OE2 3.29Å; K149-E189 WeakPolarHBondContact CE-OE2 3.36Å; K149-E189 IonicContact NZ-OE1 3.37Å; K149-E189 PolarHBondContact NZ-OE1 3.01Å; K149-E189 IonicContact NZ-OE2 2.98Å; K149-E189 PolarHBondContact NZ-OE2 2.75Å; H186-E189 PolarHBondContact O-N 2.81Å; H186-E189 VanDerWaalsContact O-N 3.15Å; F187-E189 VanDerWaalsContact C-N 3.29Å; F187-E189 PolarHBondContact O-N 2.96Å
190L89.6Confident85.4Confident1 Ų156.8 Ų56.81%0.00528%0.284CS..Hα-helixtrans-72.2-35.7179.7-68.3171.4000112.2K149 L152 A153 L156 T173 W176 V177 H186 F187 E192 L193K149-L190 HydrophobicContact CG-CD2 4.43Å; L152-L190 HydrophobicContact CD2-CD1 3.89Å; L152-L190 HydrophobicContact CD2-CD2 4.47Å; L152-L190 HydrophobicContact CG-CD2 4.34Å; A153-L190 HydrophobicContact CB-CD2 3.89Å; L156-L190 HydrophobicContact CD1-CD2 4.42Å; T173-L190 HydrophobicContact CG2-CB 3.67Å; T173-L190 HydrophobicContact CG2-CD1 4.2Å; W176-L190 HydrophobicContact CE3-CD1 3.87Å; W176-L190 HydrophobicContact CZ3-CD1 3.66Å; V177-L190 HydrophobicContact CG2-CD1 4.47Å; H186-L190 HydrophobicContact CB-CD1 4.49Å; H186-L190 PolarHBondContact O-N 2.85Å; H186-L190 VanDerWaalsContact O-N 3.1Å; F187-L190 PolarHBondContact O-N 3.12Å; L190-E192 PolarHBondContact O-N 3.45Å; L190-L193 WeakPolarHBondContact O-CB 3.45Å; L190-L193 PolarHBondContact O-N 2.96Å; L190-L193 VanDerWaalsContact O-N 3.13Å
191I87.7Confident85.3Confident0 Ų060.9 Ų60.90%031%0.305CS..Hα-helixtrans-67.5-24.5178.9-163.967.2000112.5L170 F187 L188 L193 V194 L224 P229 W232L170-I191 HydrophobicContact CD1-CD1 3.16Å; L170-I191 HydrophobicContact CD2-CD1 4.22Å; L170-I191 HydrophobicContact CG-CD1 4.24Å; F187-I191 WeakPolarHBondContact O-CB 3.47Å; F187-I191 WeakPolarHBondContact O-CG2 3.4Å; F187-I191 PolarHBondContact O-N 3.01Å; L188-I191 VanDerWaalsContact O-CG2 3.28Å; L188-I191 WeakPolarHBondContact O-CG2 3.4Å; I191-L193 PolarHBondContact O-N 2.7Å; I191-V194 HydrophobicContact CD1-CB 4.04Å; I191-V194 HydrophobicContact CD1-CG1 4.42Å; I191-V194 HydrophobicContact CD1-CG2 4.01Å; I191-V194 WeakPolarHBondContact O-CB 3.12Å; I191-V194 PolarHBondContact O-N 2.86Å; I191-L224 HydrophobicContact CG1-CD1 3.91Å; I191-L224 HydrophobicContact CG2-CD1 4.41Å; I191-P229 HydrophobicContact CG2-CG 3.63Å; I191-W232 HydrophobicContact CD1-CH2 4.12Å; I191-W232 HydrophobicContact CD1-CZ2 3.78Å; I191-W232 HydrophobicContact CG1-CH2 4.1Å; I191-W232 HydrophobicContact CG1-CZ2 3.6Å; I191-W232 PolarHBondContact O-NE1 3.33Å
192E86.4Confident85.4Confident101 Ų10160.4 Ų60.447%0.47230%0.302SS..THydrogen-bonded Turntrans-62.3-23.4173.9-77.9-177.3178.100112.7L188 L190 P229L188-E192 WeakPolarHBondContact O-CG 3.41Å; L190-E192 PolarHBondContact O-N 3.45Å; E192-P229 HydrophobicContact CG-CB 3.94Å
193L86.6Confident85.2Confident55 Ų5553.5 Ų53.529%0.28827%0.272SS..THydrogen-bonded Turntrans-83.4-16.1176.5-53.8174.4000112.6A153 L156 A157 L190 I191A153-L193 HydrophobicContact CB-CD1 3.74Å; A153-L193 WeakPolarHBondContact O-CD1 3.4Å; L156-L193 HydrophobicContact CB-CB 3.96Å; L156-L193 HydrophobicContact CB-CD1 4.03Å; A157-L193 HydrophobicContact CB-CD1 4.48Å; A157-L193 HydrophobicContact CB-CD2 4.13Å; L190-L193 WeakPolarHBondContact O-CB 3.45Å; L190-L193 PolarHBondContact O-N 2.96Å; L190-L193 VanDerWaalsContact O-N 3.13Å; I191-L193 PolarHBondContact O-N 2.7Å
194V85.3Confident84.9Confident2 Ų254.5 Ų54.51%0.01228%0.28CS..SBendtrans-82.6133.9175.1178.30000109.2D166 A169 L170 I191 L199 W232D166-V194 HydrophobicContact CB-CG1 4Å; A169-V194 HydrophobicContact CB-CG2 4.22Å; L170-V194 HydrophobicContact CB-CG1 4.04Å; I191-V194 HydrophobicContact CD1-CB 4.04Å; I191-V194 HydrophobicContact CD1-CG1 4.42Å; I191-V194 HydrophobicContact CD1-CG2 4.01Å; I191-V194 WeakPolarHBondContact O-CB 3.12Å; I191-V194 PolarHBondContact O-N 2.86Å; V194-L199 HydrophobicContact CG1-CD2 4.43Å; V194-W232 HydrophobicContact CB-CZ2 4.26Å; V194-W232 HydrophobicContact CG1-CZ2 4.17Å; V194-W232 PolarHBondContact O-NE1 3.18Å
195R79.4Confident84.8Confident32 Ų3254.6 Ų54.612%0.12129%0.288CS..  trans-93116.4-176-50.9-161.8175.682.1-3.8111.9D159 E197 S198 V238 R240D159-R195 IonicContact OD1-NH2 2.6Å; D159-R195 PolarHBondContact OD1-NH2 2.8Å; D159-R195 VanDerWaalsContact OD1-NH2 3.08Å; R195-E197 VanDerWaalsContact C-N 3.34Å; R195-E197 PolarHBondContact O-N 2.8Å; R195-S198 PolarHBondContact O-N 2.92Å; R195-V238 WeakPolarHBondContact CD-O 3.49Å; R195-V238 PolarHBondContact NE-O 2.95Å; R195-R240 VanDerWaalsContact CZ-CB 3.44Å; R195-R240 VanDerWaalsContact CZ-N 3.32Å; R195-R240 VanDerWaalsContact NH1-CD 3.25Å; R195-R240 VanDerWaalsContact NH1-CZ 3.29Å; R195-R240 VanDerWaalsContact NH2-CA 3.33Å
196P76.1Confident84.8Confident40 Ų4052.3 Ų52.326%0.2628%0.276SS..G310 helixtrans-68.8-31.3-175.327.7-35.1000113.1S198 L199 W232P196-S198 PolarHBondContact O-N 2.74Å; P196-S198 VanDerWaalsContact O-N 3.17Å; P196-L199 WeakPolarHBondContact O-CB 3.37Å; P196-L199 PolarHBondContact O-N 2.89Å; P196-L199 VanDerWaalsContact O-N 3.1Å; P196-W232 HydrophobicContact CB-CB 4.23Å; P196-W232 HydrophobicContact CB-CD2 3.6Å; P196-W232 HydrophobicContact CB-CE3 3.77Å; P196-W232 HydrophobicContact CB-CG 3.82Å; P196-W232 HydrophobicContact CB-CZ2 4.49Å; P196-W232 HydrophobicContact CB-CZ3 4.31Å; P196-W232 HydrophobicContact CG-CB 3.82Å; P196-W232 HydrophobicContact CG-CD2 3.89Å; P196-W232 HydrophobicContact CG-CG 3.55Å
197E75.2Confident84.4Confident117 Ų11750.9 Ų50.955%0.54727%0.27SS..G310 helixtrans-63.3-21.4-179.4-61.9-177.6179.100113.3R195R195-E197 VanDerWaalsContact C-N 3.34Å; R195-E197 PolarHBondContact O-N 2.8Å
198S77.1Confident84Confident42 Ų4255.9 Ų55.929%0.29430%0.296SS..G310 helixtrans-95.9-4.2-179.5-172.80000112.6D166 R195 P196D166-S198 PolarHBondContact N-OG 2.91Å; D166-S198 WeakPolarHBondContact OD2-CB 3.35Å; D166-S198 PolarHBondContact OD2-OG 2.97Å; R195-S198 PolarHBondContact O-N 2.92Å; P196-S198 PolarHBondContact O-N 2.74Å; P196-S198 VanDerWaalsContact O-N 3.17Å
199L82.9Confident83.8Confident20 Ų2057.7 Ų57.711%0.10531%0.309CS..  trans-73.4133.7177.5-64177.7000111.3D166 D167 L170 V194 P196 F203 L204 W232D166-L199 HydrophobicContact CB-CD2 4.18Å; D167-L199 VanDerWaalsContact OD1-CA 3.26Å; D167-L199 WeakPolarHBondContact OD1-CA 3.48Å; L170-L199 HydrophobicContact CB-CD2 4.42Å; L170-L199 HydrophobicContact CD2-CD1 4.02Å; L170-L199 HydrophobicContact CD2-CD2 4.02Å; V194-L199 HydrophobicContact CG1-CD2 4.43Å; P196-L199 WeakPolarHBondContact O-CB 3.37Å; P196-L199 PolarHBondContact O-N 2.89Å; P196-L199 VanDerWaalsContact O-N 3.1Å; L199-F203 HydrophobicContact CD2-CD1 4.24Å; L199-F203 HydrophobicContact CD2-CE1 4.19Å; L199-L204 HydrophobicContact CB-CD2 4.25Å; L199-L204 HydrophobicContact CB-CG 4.34Å; L199-L204 HydrophobicContact CD1-CD2 4.08Å; L199-W232 HydrophobicContact CD1-CH2 3.66Å; L199-W232 HydrophobicContact CD1-CZ2 4.34Å; L199-W232 HydrophobicContact CD1-CZ3 4.05Å
200S84.3Confident83.4Confident12 Ų1254.9 Ų54.98%0.08430%0.296CS..  trans-85.8144.1-177.577.40000113.2D167 P202 F203 L204D167-S200 PolarHBondContact OD1-N 3.38Å; D167-S200 VanDerWaalsContact OD2-CB 3.25Å; D167-S200 WeakPolarHBondContact OD2-CB 3.49Å; D167-S200 PolarHBondContact OD2-OG 2.91Å; S200-P202 VanDerWaalsContact C-CD 3.48Å; S200-F203 WeakPolarHBondContact O-CB 3.23Å; S200-F203 PolarHBondContact O-N 3.36Å; S200-F203 VanDerWaalsContact OG-CB 3.23Å; S200-F203 WeakPolarHBondContact OG-CB 2.95Å; S200-F203 PolarHBondContact OG-N 3.14Å; S200-L204 WeakPolarHBondContact O-CG 3.17Å; S200-L204 PolarHBondContact O-N 2.92Å
201L84.6Confident82.5Confident143 Ų14357.3 Ų57.375%0.74931%0.308SS*.Hα-helixtrans-55.3-42175.1-63.7175.9000113.5F203 L204 S205L201-F203 VanDerWaalsContact C-N 3.31Å; L201-F203 PolarHBondContact O-N 2.93Å; L201-L204 HydrophobicContact CD2-CD1 4.47Å; L201-L204 PolarHBondContact O-N 2.95Å; L201-S205 WeakPolarHBondContact O-CB 3.47Å; L201-S205 PolarHBondContact O-N 3.32Å
202P87.9Confident81.7Confident98 Ų9866.4 Ų66.464%0.63635%0.347SS*.Hα-helixtrans-60.5-40174.6-23.835.1000112.8S200 S205 K206S200-P202 VanDerWaalsContact C-CD 3.48Å; P202-S205 PolarHBondContact O-N 2.93Å; P202-K206 PolarHBondContact O-N 3.42Å; P202-K206 VanDerWaalsContact O-N 3.08Å
203F86.3Confident81.1Confident20 Ų2064 Ų649%0.08834%0.342CS..Hα-helixtrans-67.7-45.7177.9179.4-103.5000111.8D167 L170 M174 L199 S200 L201 S205 K206 L207D167-F203 HydrophobicContact CB-CB 4.28Å; D167-F203 HydrophobicContact CB-CD1 4.05Å; D167-F203 HydrophobicContact CB-CD2 3.99Å; D167-F203 HydrophobicContact CB-CE1 4.37Å; D167-F203 HydrophobicContact CB-CE2 4.33Å; D167-F203 HydrophobicContact CB-CG 3.84Å; D167-F203 VanDerWaalsContact CG-CB 3.49Å; D167-F203 WeakPolarHBondContact OD1-CD1 3.39Å; D167-F203 WeakPolarHBondContact OD2-CB 3.21Å; L170-F203 HydrophobicContact CB-CE1 4.2Å; L170-F203 HydrophobicContact CB-CZ 4.24Å; L170-F203 HydrophobicContact CD2-CE1 3.8Å; L170-F203 HydrophobicContact CD2-CZ 4.4Å; L170-F203 HydrophobicContact CG-CE1 4Å; L170-F203 HydrophobicContact CG-CZ 4.11Å; M174-F203 HydrophobicContact CE-CZ 4.32Å; L199-F203 HydrophobicContact CD2-CD1 4.24Å; L199-F203 HydrophobicContact CD2-CE1 4.19Å; S200-F203 WeakPolarHBondContact O-CB 3.23Å; S200-F203 PolarHBondContact O-N 3.36Å; S200-F203 VanDerWaalsContact OG-CB 3.23Å; S200-F203 WeakPolarHBondContact OG-CB 2.95Å; S200-F203 PolarHBondContact OG-N 3.14Å; L201-F203 VanDerWaalsContact C-N 3.31Å; L201-F203 PolarHBondContact O-N 2.93Å; F203-S205 VanDerWaalsContact C-N 3.3Å; F203-S205 PolarHBondContact O-N 3.34Å; F203-K206 WeakPolarHBondContact O-CA 3.36Å; F203-K206 VanDerWaalsContact O-CB 3.31Å; F203-K206 WeakPolarHBondContact O-CB 3.34Å; F203-K206 PolarHBondContact O-N 3.29Å; F203-L207 HydrophobicContact CD1-CD1 4.08Å; F203-L207 HydrophobicContact CD1-CG 4.36Å; F203-L207 HydrophobicContact CE1-CD1 3.55Å; F203-L207 HydrophobicContact CE1-CD2 4.28Å; F203-L207 HydrophobicContact CE1-CG 3.98Å; F203-L207 HydrophobicContact CE2-CD2 4.46Å; F203-L207 HydrophobicContact CZ-CD1 4.09Å; F203-L207 HydrophobicContact CZ-CD2 3.97Å; F203-L207 HydrophobicContact CZ-CG 4.16Å; F203-L207 PolarHBondContact O-N 3.18Å
204L84.1Confident80.3Confident64 Ų6467.5 Ų67.534%0.33537%0.371SS..Hα-helixtrans-58.3-42.3174.4-67.4173.8000111.7L199 S200 L201 K206 L207 L208L199-L204 HydrophobicContact CB-CD2 4.25Å; L199-L204 HydrophobicContact CB-CG 4.34Å; L199-L204 HydrophobicContact CD1-CD2 4.08Å; S200-L204 WeakPolarHBondContact O-CG 3.17Å; S200-L204 PolarHBondContact O-N 2.92Å; L201-L204 HydrophobicContact CD2-CD1 4.47Å; L201-L204 PolarHBondContact O-N 2.95Å; L204-K206 VanDerWaalsContact C-N 3.28Å; L204-K206 PolarHBondContact O-N 3.1Å; L204-L207 HydrophobicContact CD2-CD1 4.46Å; L204-L207 PolarHBondContact O-N 2.83Å; L204-L207 VanDerWaalsContact O-N 3.17Å; L204-L208 WeakPolarHBondContact O-CG 3.49Å; L204-L208 PolarHBondContact O-N 2.89Å
205S85.7Confident79.9Confident69 Ų6970.2 Ų70.248%0.48339%0.385SS..Hα-helixtrans-60.5-37.5174.6-174.90000112.4L201 P202 F203 L208 T209L201-S205 WeakPolarHBondContact O-CB 3.47Å; L201-S205 PolarHBondContact O-N 3.32Å; P202-S205 PolarHBondContact O-N 2.93Å; F203-S205 VanDerWaalsContact C-N 3.3Å; F203-S205 PolarHBondContact O-N 3.34Å; S205-L208 PolarHBondContact O-N 2.71Å; S205-T209 WeakPolarHBondContact O-CG2 3.29Å; S205-T209 PolarHBondContact O-N 2.84Å
206K86.6Confident79.6Confident90 Ų9072.3 Ų72.339%0.39140%0.403SS..Hα-helixtrans-65.6-41.2174.6-178.5-165.5172.4-158.10111.4E171 P202 F203 L204 L208 T209 Q210E171-K206 IonicContact OE2-NZ 2.86Å; E171-K206 PolarHBondContact OE2-NZ 3.28Å; P202-K206 PolarHBondContact O-N 3.42Å; P202-K206 VanDerWaalsContact O-N 3.08Å; F203-K206 WeakPolarHBondContact O-CA 3.36Å; F203-K206 VanDerWaalsContact O-CB 3.31Å; F203-K206 WeakPolarHBondContact O-CB 3.34Å; F203-K206 PolarHBondContact O-N 3.29Å; L204-K206 VanDerWaalsContact C-N 3.28Å; L204-K206 PolarHBondContact O-N 3.1Å; K206-L208 VanDerWaalsContact C-N 3.34Å; K206-L208 PolarHBondContact O-N 2.93Å; K206-T209 PolarHBondContact O-N 2.92Å; K206-T209 PolarHBondContact O-OG1 2.96Å; K206-Q210 WeakPolarHBondContact O-CB 3.22Å; K206-Q210 WeakPolarHBondContact O-CG 3.39Å; K206-Q210 PolarHBondContact O-N 3.07Å
207L83.9Confident79.8Confident10 Ų1073.4 Ų73.45%0.05240%0.402CS..Hα-helixtrans-62.7-42.1175.8-64.8-178.4000111.7L170 M174 F203 L204 T209 Q210 M211 I221L170-L207 HydrophobicContact CD2-CD1 4.11Å; M174-L207 HydrophobicContact CE-CD2 3.87Å; M174-L207 HydrophobicContact SD-CD2 4.28Å; F203-L207 HydrophobicContact CD1-CD1 4.08Å; F203-L207 HydrophobicContact CD1-CG 4.36Å; F203-L207 HydrophobicContact CE1-CD1 3.55Å; F203-L207 HydrophobicContact CE1-CD2 4.28Å; F203-L207 HydrophobicContact CE1-CG 3.98Å; F203-L207 HydrophobicContact CE2-CD2 4.46Å; F203-L207 HydrophobicContact CZ-CD1 4.09Å; F203-L207 HydrophobicContact CZ-CD2 3.97Å; F203-L207 HydrophobicContact CZ-CG 4.16Å; F203-L207 PolarHBondContact O-N 3.18Å; L204-L207 HydrophobicContact CD2-CD1 4.46Å; L204-L207 PolarHBondContact O-N 2.83Å; L204-L207 VanDerWaalsContact O-N 3.17Å; L207-T209 VanDerWaalsContact C-N 3.32Å; L207-T209 PolarHBondContact O-N 2.79Å; L207-Q210 PolarHBondContact O-N 2.85Å; L207-M211 PolarHBondContact O-N 3.05Å; L207-I221 HydrophobicContact CB-CD1 4.36Å; L207-I221 HydrophobicContact CB-CG2 4.26Å; L207-I221 HydrophobicContact CD2-CD1 3.85Å; L207-I221 HydrophobicContact CD2-CG1 4.24Å
208L80.6Confident80.1Confident104 Ų10468 Ų6855%0.54538%0.378SS..Hα-helixtrans-62.9-35.5177.9-67.7177.1000113L204 S205 K206 M211L204-L208 WeakPolarHBondContact O-CG 3.49Å; L204-L208 PolarHBondContact O-N 2.89Å; S205-L208 PolarHBondContact O-N 2.71Å; K206-L208 VanDerWaalsContact C-N 3.34Å; K206-L208 PolarHBondContact O-N 2.93Å; L208-M211 HydrophobicContact CD2-CE 3.4Å
209T82.1Confident80.3Confident88 Ų8874.1 Ų74.154%0.5439%0.394SS..Hα-helixtrans-73.3-37.8175.256.90000111.5S205 K206 L207 M211 K212S205-T209 WeakPolarHBondContact O-CG2 3.29Å; S205-T209 PolarHBondContact O-N 2.84Å; K206-T209 PolarHBondContact O-N 2.92Å; K206-T209 PolarHBondContact O-OG1 2.96Å; L207-T209 VanDerWaalsContact C-N 3.32Å; L207-T209 PolarHBondContact O-N 2.79Å; T209-M211 VanDerWaalsContact C-N 3.34Å; T209-M211 PolarHBondContact O-N 3.31Å; T209-K212 PolarHBondContact O-N 3.32Å
210Q79.1Confident80.3Confident44 Ų4473.4 Ų73.421%0.20639%0.39CS..Hα-helixtrans-68.1-27.6177.5-74.3179.7-2900113.6K206 L207 K212 S213 A218 I221K206-Q210 WeakPolarHBondContact O-CB 3.22Å; K206-Q210 WeakPolarHBondContact O-CG 3.39Å; K206-Q210 PolarHBondContact O-N 3.07Å; L207-Q210 PolarHBondContact O-N 2.85Å; Q210-K212 PolarHBondContact O-N 3.09Å; Q210-K212 VanDerWaalsContact O-N 3.08Å; Q210-S213 WeakPolarHBondContact O-CB 3.29Å; Q210-S213 PolarHBondContact O-N 3.49Å; Q210-S213 PolarHBondContact O-OG 2.98Å; Q210-A218 WeakPolarHBondContact O-CB 3.47Å; Q210-I221 HydrophobicContact CB-CD1 3.99Å
211M71Confident80.2Confident52 Ų5273.3 Ų73.326%0.25639%0.389SS..THydrogen-bonded Turntrans-55.3-25.8172-80.6-157.8-67.200113.8L207 L208 T209 S213 I221 N225L207-M211 PolarHBondContact O-N 3.05Å; L208-M211 HydrophobicContact CD2-CE 3.4Å; T209-M211 VanDerWaalsContact C-N 3.34Å; T209-M211 PolarHBondContact O-N 3.31Å; M211-S213 PolarHBondContact O-N 3Å; M211-I221 HydrophobicContact CG-CB 3.75Å; M211-I221 HydrophobicContact CG-CG2 3.23Å; M211-I221 HydrophobicContact SD-CG2 3.73Å; M211-N225 HydrophobicContact SD-CB 4.34Å
212K69.6Low80.1Confident191 Ų19168.4 Ų68.483%0.8337%0.367SS*.THydrogen-bonded Turntrans-82.6-0.7180-60.2-178.7-179.1178.70113.2T209 Q210T209-K212 PolarHBondContact O-N 3.32Å; Q210-K212 PolarHBondContact O-N 3.09Å; Q210-K212 VanDerWaalsContact O-N 3.08Å
213S73.8Confident79.8Confident52 Ų5266 Ų6636%0.36435%0.346SS..SBendtrans-95.7162.8-178.975.40000112.2Q210 M211 D215 A218Q210-S213 WeakPolarHBondContact O-CB 3.29Å; Q210-S213 PolarHBondContact O-N 3.49Å; Q210-S213 PolarHBondContact O-OG 2.98Å; M211-S213 PolarHBondContact O-N 3Å; S213-D215 VanDerWaalsContact C-N 3.26Å; S213-D215 PolarHBondContact O-N 2.92Å; S213-D215 WeakPolarHBondContact OG-CB 3.32Å; S213-A218 WeakPolarHBondContact O-CB 3.43Å
214S70.1Confident79.6Confident127 Ų12765.9 Ų65.989%0.88835%0.346SS*.  trans-86.610.4177.1-50.20000113.8
215D76.9Confident79.6Confident60 Ų6068.3 Ų68.332%0.32136%0.36SS..SBendtrans-68.5141.2-176.6-173.2-26.4000111S213 R217 A218S213-D215 VanDerWaalsContact C-N 3.26Å; S213-D215 PolarHBondContact O-N 2.92Å; S213-D215 WeakPolarHBondContact OG-CB 3.32Å; D215-R217 PolarHBondContact O-N 3.18Å; D215-R217 VanDerWaalsContact O-N 3.07Å; D215-R217 WeakPolarHBondContact OD1-CG 3.3Å; D215-R217 PolarHBondContact OD1-N 3.03Å; D215-A218 WeakPolarHBondContact O-CA 3.49Å; D215-A218 VanDerWaalsContact O-CB 3.24Å; D215-A218 WeakPolarHBondContact O-CB 3.36Å; D215-A218 PolarHBondContact O-N 3.06Å
216P74.4Confident79.4Confident76 Ų7671.7 Ų71.749%0.49437%0.368SS..Hα-helixtrans-40.4-38.7164-30.431.7000114.3A218 R219 L220P216-A218 VanDerWaalsContact C-N 3.31Å; P216-A218 PolarHBondContact O-N 3.05Å; P216-R219 WeakPolarHBondContact O-CB 3.29Å; P216-R219 PolarHBondContact O-N 3.09Å; P216-L220 PolarHBondContact O-N 2.84Å
217R79.6Confident79.1Confident62 Ų6274.3 Ų74.323%0.23438%0.376CS..Hα-helixtrans-62.4-35.8176.5-62.8175.8-176.7-155.6-0.7112.8E171 D215 R219 L220 I221E171-R217 IonicContact OE1-CZ 3.51Å; E171-R217 IonicContact OE1-NH1 3.96Å; E171-R217 PolarHBondContact OE1-NH1 2.84Å; D215-R217 PolarHBondContact O-N 3.18Å; D215-R217 VanDerWaalsContact O-N 3.07Å; D215-R217 WeakPolarHBondContact OD1-CG 3.3Å; D215-R217 PolarHBondContact OD1-N 3.03Å; R217-R219 VanDerWaalsContact C-N 3.26Å; R217-R219 PolarHBondContact O-N 3.36Å; R217-L220 PolarHBondContact O-N 3.19Å; R217-I221 VanDerWaalsContact O-CG1 3.26Å; R217-I221 WeakPolarHBondContact O-CG1 3.37Å; R217-I221 PolarHBondContact O-N 3.09Å
218A81.3Confident78.8Confident5 Ų578.8 Ų78.84%0.04140%0.396CS..Hα-helixtrans-64.3-31.8177.800000112.2Q210 S213 D215 P216 S222Q210-A218 WeakPolarHBondContact O-CB 3.47Å; S213-A218 WeakPolarHBondContact O-CB 3.43Å; D215-A218 WeakPolarHBondContact O-CA 3.49Å; D215-A218 VanDerWaalsContact O-CB 3.24Å; D215-A218 WeakPolarHBondContact O-CB 3.36Å; D215-A218 PolarHBondContact O-N 3.06Å; P216-A218 VanDerWaalsContact C-N 3.31Å; P216-A218 PolarHBondContact O-N 3.05Å; A218-S222 WeakPolarHBondContact O-CB 3.45Å; A218-S222 PolarHBondContact O-N 2.93Å; A218-S222 PolarHBondContact O-OG 2.92Å
219R81.9Confident78.7Confident170 Ų17074.1 Ų74.164%0.64237%0.371SS*.Hα-helixtrans-66.2-45173.4-60.9-177.7-179.4179.20.3111.4P216 R217 I221 S222 K223P216-R219 WeakPolarHBondContact O-CB 3.29Å; P216-R219 PolarHBondContact O-N 3.09Å; R217-R219 VanDerWaalsContact C-N 3.26Å; R217-R219 PolarHBondContact O-N 3.36Å; R219-I221 VanDerWaalsContact C-N 3.35Å; R219-I221 PolarHBondContact O-N 3.43Å; R219-S222 PolarHBondContact O-N 2.93Å; R219-K223 WeakPolarHBondContact O-CB 3.33Å; R219-K223 PolarHBondContact O-N 2.97Å
220L82.4Confident78.3Confident4 Ų474.1 Ų74.12%0.02137%0.373CS..Hα-helixtrans-61.7-42.9176.7-61.5178.6000111.8M174 V177 E184 F187 P216 R217 S222 K223 L224M174-L220 HydrophobicContact CB-CD1 4.46Å; M174-L220 HydrophobicContact CG-CD1 4.5Å; V177-L220 HydrophobicContact CB-CD1 4.01Å; V177-L220 HydrophobicContact CG1-CD1 3.77Å; V177-L220 HydrophobicContact CG1-CD2 3.71Å; V177-L220 HydrophobicContact CG1-CG 4.4Å; E184-L220 HydrophobicContact CG-CD2 3.95Å; F187-L220 HydrophobicContact CB-CD2 4.28Å; F187-L220 HydrophobicContact CD1-CB 4.45Å; F187-L220 HydrophobicContact CD1-CD2 4.14Å; F187-L220 HydrophobicContact CD2-CD1 4.41Å; F187-L220 HydrophobicContact CD2-CD2 4.27Å; F187-L220 HydrophobicContact CE1-CB 4.07Å; F187-L220 VanDerWaalsContact CE1-O 3.28Å; F187-L220 WeakPolarHBondContact CE1-O 3.35Å; F187-L220 HydrophobicContact CE2-CB 4.22Å; F187-L220 HydrophobicContact CE2-CD1 4.45Å; F187-L220 HydrophobicContact CG-CD2 3.96Å; F187-L220 HydrophobicContact CZ-CB 3.95Å; P216-L220 PolarHBondContact O-N 2.84Å; R217-L220 PolarHBondContact O-N 3.19Å; L220-S222 VanDerWaalsContact C-N 3.34Å; L220-K223 PolarHBondContact O-N 2.96Å; L220-L224 PolarHBondContact O-N 3.2Å
221I82.1Confident77.9Confident10 Ų1074.2 Ų74.25%0.05138%0.378CS..Hα-helixtrans-66.7-38.9177.4-56.4161.3000110.6M174 L207 Q210 M211 R217 R219 L224 N225M174-I221 HydrophobicContact SD-CG1 4.08Å; L207-I221 HydrophobicContact CB-CD1 4.36Å; L207-I221 HydrophobicContact CB-CG2 4.26Å; L207-I221 HydrophobicContact CD2-CD1 3.85Å; L207-I221 HydrophobicContact CD2-CG1 4.24Å; Q210-I221 HydrophobicContact CB-CD1 3.99Å; M211-I221 HydrophobicContact CG-CB 3.75Å; M211-I221 HydrophobicContact CG-CG2 3.23Å; M211-I221 HydrophobicContact SD-CG2 3.73Å; R217-I221 VanDerWaalsContact O-CG1 3.26Å; R217-I221 WeakPolarHBondContact O-CG1 3.37Å; R217-I221 PolarHBondContact O-N 3.09Å; R219-I221 VanDerWaalsContact C-N 3.35Å; R219-I221 PolarHBondContact O-N 3.43Å; I221-L224 WeakPolarHBondContact O-CB 3.33Å; I221-L224 PolarHBondContact O-N 3.23Å; I221-N225 PolarHBondContact O-N 3.21Å
222S81.8Confident78.1Confident41 Ų4173.2 Ų73.229%0.28737%0.372SS..Hα-helixtrans-63.4-43.4174.7-57.80000111.4A218 R219 L220 L224 N225 E226A218-S222 WeakPolarHBondContact O-CB 3.45Å; A218-S222 PolarHBondContact O-N 2.93Å; A218-S222 PolarHBondContact O-OG 2.92Å; R219-S222 PolarHBondContact O-N 2.93Å; L220-S222 VanDerWaalsContact C-N 3.34Å; S222-L224 VanDerWaalsContact C-N 3.32Å; S222-L224 PolarHBondContact O-N 3.14Å; S222-N225 WeakPolarHBondContact O-CB 3.48Å; S222-N225 PolarHBondContact O-N 3.3Å; S222-N225 VanDerWaalsContact O-N 3.12Å; S222-E226 WeakPolarHBondContact O-CG 3.34Å; S222-E226 PolarHBondContact O-N 3.08Å
223K81.9Confident78.1Confident48 Ų4868.2 Ų68.221%0.20936%0.361CS..Hα-helixtrans-61-39.1175.2-169.8175.3-176.9176.80112E184 L188 R219 L220 E226 Y227E184-K223 PolarHBondContact O-NZ 3.17Å; L188-K223 HydrophobicContact CD2-CG 4.47Å; R219-K223 WeakPolarHBondContact O-CB 3.33Å; R219-K223 PolarHBondContact O-N 2.97Å; L220-K223 PolarHBondContact O-N 2.96Å; K223-E226 PolarHBondContact O-N 3.22Å; K223-Y227 HydrophobicContact CG-CD2 4.3Å; K223-Y227 WeakPolarHBondContact O-CB 3.27Å; K223-Y227 PolarHBondContact O-N 3.13Å
224L83.1Confident77.4Confident16 Ų1669.7 Ų69.78%0.08437%0.368CS..Hα-helixtrans-64.8-38.4173.7-178.760000112.3F187 I191 L220 I221 S222 Y227 F228 P229 W232F187-L224 HydrophobicContact CE1-CB 4.16Å; I191-L224 HydrophobicContact CG1-CD1 3.91Å; I191-L224 HydrophobicContact CG2-CD1 4.41Å; L220-L224 PolarHBondContact O-N 3.2Å; I221-L224 WeakPolarHBondContact O-CB 3.33Å; I221-L224 PolarHBondContact O-N 3.23Å; S222-L224 VanDerWaalsContact C-N 3.32Å; S222-L224 PolarHBondContact O-N 3.14Å; L224-Y227 CarbonylContact O-C 3.39Å; L224-F228 PolarHBondContact O-N 3.34Å; L224-P229 HydrophobicContact CD1-CG 4.1Å; L224-W232 HydrophobicContact CD1-CH2 4.38Å; L224-W232 HydrophobicContact CD1-CZ3 4.29Å; L224-W232 HydrophobicContact CD2-CH2 4Å; L224-W232 HydrophobicContact CD2-CZ3 4.09Å
225N82.8Confident76.6Confident116 Ų11666.8 Ų66.862%0.6236%0.358SS*.Hα-helixtrans-71-33.6177.5-175.572000112.5M211 I221 S222M211-N225 HydrophobicContact SD-CB 4.34Å; I221-N225 PolarHBondContact O-N 3.21Å; S222-N225 WeakPolarHBondContact O-CB 3.48Å; S222-N225 PolarHBondContact O-N 3.3Å; S222-N225 VanDerWaalsContact O-N 3.12Å
226E82.2Confident75.4Confident139 Ų13972.8 Ų72.865%0.6538%0.376SS*.Hα-helixtrans-76.2-42.1175.3-71.9176.9-170.400112.6S222 K223S222-E226 WeakPolarHBondContact O-CG 3.34Å; S222-E226 PolarHBondContact O-N 3.08Å; K223-E226 PolarHBondContact O-N 3.22Å
227Y80.6Confident74.2Confident146 Ų14672.1 Ų72.157%0.57337%0.373SS*.SBendtrans-11975.3-176-61.4-83.4000110.1L188 K223 L224 P229L188-Y227 HydrophobicContact CD1-CG 4.5Å; K223-Y227 HydrophobicContact CG-CD2 4.3Å; K223-Y227 WeakPolarHBondContact O-CB 3.27Å; K223-Y227 PolarHBondContact O-N 3.13Å; L224-Y227 CarbonylContact O-C 3.39Å; Y227-P229 WeakPolarHBondContact O-CD 3.38Å
228F77.8Confident72.7Confident104 Ų10472.8 Ų72.846%0.45638%0.384SS..  trans-68.5123178.5-160.3-100000110.4L224 W232 S233L224-F228 PolarHBondContact O-N 3.34Å; F228-W232 HydrophobicContact CD1-CB 3.89Å; F228-W232 HydrophobicContact CD2-CE3 4.3Å; F228-W232 HydrophobicContact CE1-CB 3.22Å; F228-W232 HydrophobicContact CE1-CE3 4.38Å; F228-W232 HydrophobicContact CE1-CG 4.35Å; F228-W232 HydrophobicContact CE2-CB 4.47Å; F228-W232 AromaticContact CE2-CE3 3.55Å; F228-W232 HydrophobicContact CE2-CE3 3.55Å; F228-W232 HydrophobicContact CE2-CZ3 4.23Å; F228-W232 HydrophobicContact CZ-CB 3.58Å; F228-W232 HydrophobicContact CZ-CD2 4.31Å; F228-W232 AromaticContact CZ-CE3 3.61Å; F228-W232 HydrophobicContact CZ-CE3 3.61Å; F228-W232 HydrophobicContact CZ-CG 4.37Å; F228-S233 WeakPolarHBondContact CD1-OG 3.28Å
229P78.4Confident71.3Confident5 Ų580.2 Ų80.23%0.03241%0.411CS..  trans-58.6136-177.4-24.932.7000111.8I191 E192 L224 Y227 S231 W232I191-P229 HydrophobicContact CG2-CG 3.63Å; E192-P229 HydrophobicContact CG-CB 3.94Å; L224-P229 HydrophobicContact CD1-CG 4.1Å; Y227-P229 WeakPolarHBondContact O-CD 3.38Å; P229-S231 PolarHBondContact O-N 3.4Å; P229-W232 HydrophobicContact CB-CG 4.18Å; P229-W232 HydrophobicContact CG-CD2 4.37Å; P229-W232 HydrophobicContact CG-CG 4.29Å; P229-W232 WeakPolarHBondContact O-CB 3.24Å; P229-W232 PolarHBondContact O-N 3.15Å
230P73.8Confident70.1Confident88 Ų8873.2 Ų73.257%0.57139%0.385SS*.Hα-helixtrans-58-32.2177.1-23.132.3000112.6W232 S233 V234P230-W232 PolarHBondContact O-N 2.99Å; P230-S233 PolarHBondContact O-N 3.33Å; P230-S233 VanDerWaalsContact O-N 3.14Å; P230-V234 PolarHBondContact O-N 3.1Å; P230-V234 VanDerWaalsContact O-N 3.1Å
231S70.3Confident68.5Low46 Ų4676.1 Ų76.132%0.32240%0.402SS..Hα-helixtrans-61.4-21.7175.559.30000113.4P229P229-S231 PolarHBondContact O-N 3.4Å
232W75.6Confident66.9Low31 Ų3178 Ų7812%0.11742%0.416CS..Hα-helixtrans-90.5-21.4177.2-69.723.8000113.3L170 I191 V194 P196 L199 L224 F228 P229 P230L170-W232 HydrophobicContact CD2-CH2 4.22Å; I191-W232 HydrophobicContact CD1-CH2 4.12Å; I191-W232 HydrophobicContact CD1-CZ2 3.78Å; I191-W232 HydrophobicContact CG1-CH2 4.1Å; I191-W232 HydrophobicContact CG1-CZ2 3.6Å; I191-W232 PolarHBondContact O-NE1 3.33Å; V194-W232 HydrophobicContact CB-CZ2 4.26Å; V194-W232 HydrophobicContact CG1-CZ2 4.17Å; V194-W232 PolarHBondContact O-NE1 3.18Å; P196-W232 HydrophobicContact CB-CB 4.23Å; P196-W232 HydrophobicContact CB-CD2 3.6Å; P196-W232 HydrophobicContact CB-CE3 3.77Å; P196-W232 HydrophobicContact CB-CG 3.82Å; P196-W232 HydrophobicContact CB-CZ2 4.49Å; P196-W232 HydrophobicContact CB-CZ3 4.31Å; P196-W232 HydrophobicContact CG-CB 3.82Å; P196-W232 HydrophobicContact CG-CD2 3.89Å; P196-W232 HydrophobicContact CG-CG 3.55Å; L199-W232 HydrophobicContact CD1-CH2 3.66Å; L199-W232 HydrophobicContact CD1-CZ2 4.34Å; L199-W232 HydrophobicContact CD1-CZ3 4.05Å; L224-W232 HydrophobicContact CD1-CH2 4.38Å; L224-W232 HydrophobicContact CD1-CZ3 4.29Å; L224-W232 HydrophobicContact CD2-CH2 4Å; L224-W232 HydrophobicContact CD2-CZ3 4.09Å; F228-W232 HydrophobicContact CD1-CB 3.89Å; F228-W232 HydrophobicContact CD2-CE3 4.3Å; F228-W232 HydrophobicContact CE1-CB 3.22Å; F228-W232 HydrophobicContact CE1-CE3 4.38Å; F228-W232 HydrophobicContact CE1-CG 4.35Å; F228-W232 HydrophobicContact CE2-CB 4.47Å; F228-W232 AromaticContact CE2-CE3 3.55Å; F228-W232 HydrophobicContact CE2-CE3 3.55Å; F228-W232 HydrophobicContact CE2-CZ3 4.23Å; F228-W232 HydrophobicContact CZ-CB 3.58Å; F228-W232 HydrophobicContact CZ-CD2 4.31Å; F228-W232 AromaticContact CZ-CE3 3.61Å; F228-W232 HydrophobicContact CZ-CE3 3.61Å; F228-W232 HydrophobicContact CZ-CG 4.37Å; P229-W232 HydrophobicContact CB-CG 4.18Å; P229-W232 HydrophobicContact CG-CD2 4.37Å; P229-W232 HydrophobicContact CG-CG 4.29Å; P229-W232 WeakPolarHBondContact O-CB 3.24Å; P229-W232 PolarHBondContact O-N 3.15Å; P230-W232 PolarHBondContact O-N 2.99Å
233S68.3Low65.6Low86 Ų8676.6 Ų76.660%0.60141%0.408SS*.Hα-helixtrans-88.3-36178.6-55.70000113F228 P230 G235F228-S233 WeakPolarHBondContact CD1-OG 3.28Å; P230-S233 PolarHBondContact O-N 3.33Å; P230-S233 VanDerWaalsContact O-N 3.14Å; S233-G235 PolarHBondContact O-N 2.85Å
234V60.4Low64.7Low84 Ų8475.6 Ų75.651%0.50941%0.406SS..SBendtrans-78.7110.5171.5-172.70000105.1P230 R236P230-V234 PolarHBondContact O-N 3.1Å; P230-V234 VanDerWaalsContact O-N 3.1Å; V234-R236 HydrophobicContact CB-CG 4.35Å; V234-R236 HydrophobicContact CG1-CG 3.81Å; V234-R236 PolarHBondContact O-N 3.49Å
235G53.2Low64.5Low66 Ų6676.1 Ų76.168%0.6841%0.409SS*.  trans-62.361.1172.100000111.7S233 S237S233-G235 PolarHBondContact O-N 2.85Å; G235-S237 VanDerWaalsContact C-N 3.32Å; G235-S237 PolarHBondContact O-N 2.82Å
236R51.4Low64.7Low185 Ų18570.6 Ų70.670%0.69838%0.379SS*.  trans-70.4101167.6-74.9-165.8179.5-156.21.1104V234 V238V234-R236 HydrophobicContact CB-CG 4.35Å; V234-R236 HydrophobicContact CG1-CG 3.81Å; V234-R236 PolarHBondContact O-N 3.49Å; R236-V238 HydrophobicContact CB-CG2 4.14Å; R236-V238 PolarHBondContact O-N 2.85Å
237S49Very low65.1Low63 Ų6364 Ų6444%0.44135%0.348SS..  trans-60.575.3164.3-171.70000109G235G235-S237 VanDerWaalsContact C-N 3.32Å; G235-S237 PolarHBondContact O-N 2.82Å
238V48.7Very low65.7Low75 Ų7557.3 Ų57.346%0.45532%0.322SS..  trans-107.774.7162.5-173.70000102.5R195 R236 R240R195-V238 WeakPolarHBondContact CD-O 3.49Å; R195-V238 PolarHBondContact NE-O 2.95Å; R236-V238 HydrophobicContact CB-CG2 4.14Å; R236-V238 PolarHBondContact O-N 2.85Å; V238-R240 PolarHBondContact O-N 2.76Å
239R51.6Low66.5Low161 Ų16152.4 Ų52.461%0.60830%0.3SS*.  trans-53.1140.4155.2-67.8-175.2178.9-175.8-0105.2T241R239-T241 PolarHBondContact O-N 2.76Å
240R56.4Low67.2Low24 Ų2452.3 Ų52.39%0.09130%0.299CS..  trans-44.3126.2155.8-143.5161.8-102.7143.225.7103S158 L161 D166 R195 V238 S242S158-R240 PolarHBondContact O-NE 3.2Å; L161-R240 PolarHBondContact O-NH1 3.47Å; D166-R240 IonicContact OD1-CZ 2.95Å; D166-R240 IonicContact OD1-NH1 3.15Å; D166-R240 IonicContact OD1-NH2 3.13Å; D166-R240 PolarHBondContact OD1-NH2 3.5Å; R195-R240 VanDerWaalsContact CZ-CB 3.44Å; R195-R240 VanDerWaalsContact CZ-N 3.32Å; R195-R240 VanDerWaalsContact NH1-CD 3.25Å; R195-R240 VanDerWaalsContact NH1-CZ 3.29Å; R195-R240 VanDerWaalsContact NH2-CA 3.33Å; V238-R240 PolarHBondContact O-N 2.76Å; R240-S242 PolarHBondContact O-N 3.38Å
241T48.2Very low68.1Low64 Ų6448.1 Ų48.139%0.39327%0.272SS..  trans-64.877.6165.836.90000104.7R239 A243R239-T241 PolarHBondContact O-N 2.76Å; T241-A243 PolarHBondContact O-N 2.73Å
242S50.1Low69.1Low49 Ų4946 Ų4634%0.34326%0.257SS..  trans-64.982.6154.564.20000102R240 S244R240-S242 PolarHBondContact O-N 3.38Å; S242-S244 PolarHBondContact O-N 3.02Å
243A53.1Low69.8Low13 Ų1346.4 Ų46.411%0.10726%0.264CS..EExtended strand (participates in β ladder)-32.282.8118.300000107.8T241 E245 R525 I526 Y527T241-A243 PolarHBondContact O-N 2.73Å; A243-E245 VanDerWaalsContact C-N 3.27Å; A243-E245 PolarHBondContact O-N 2.69Å; A243-R525 HydrophobicContact CB-CG 3.37Å; A243-I526 VanDerWaalsContact CA-O 3.23Å; A243-I526 WeakPolarHBondContact CA-O 2.99Å; A243-Y527 HydrophobicContact CB-CD1 4.27Å; A243-Y527 HydrophobicContact CB-CE1 4.05Å
244S64.1Low70.8Confident26 Ų2644.7 Ų44.718%0.18225%0.247CC..EExtended strand (participates in β ladder)trans-76.299170.559.60000103.1S242 T246 I526S242-S244 PolarHBondContact O-N 3.02Å; S244-T246 PolarHBondContact O-N 2.96Å; S244-I526 PolarHBondContact N-O 3.07Å; S244-I526 VanDerWaalsContact N-O 3.13Å; S244-I526 PolarHBondContact O-N 3.19Å
245E79.4Confident72.2Confident28 Ų2844.8 Ų44.813%0.13124%0.244CC..EExtended strand (participates in β ladder)trans-68.5117.4171-72.3178.2164.800107.2A243 P266 V476 S477 T523 M524 R525A243-E245 VanDerWaalsContact C-N 3.27Å; A243-E245 PolarHBondContact O-N 2.69Å; E245-P266 WeakPolarHBondContact O-CD 3.44Å; E245-V476 HydrophobicContact CB-CB 4.48Å; E245-V476 HydrophobicContact CB-CG1 3.48Å; E245-V476 VanDerWaalsContact CB-CG1 3.48Å; E245-S477 WeakPolarHBondContact OE2-CA 3.5Å; E245-S477 PolarHBondContact OE2-N 3.44Å; E245-S477 PolarHBondContact OE2-OG 3.48Å; E245-S477 VanDerWaalsContact OE2-OG 3.1Å; E245-T523 HydrophobicContact CB-CG2 4.01Å; E245-T523 HydrophobicContact CG-CG2 4.3Å; E245-M524 WeakPolarHBondContact CA-O 2.98Å; E245-R525 HydrophobicContact CG-CB 4.01Å; E245-R525 HydrophobicContact CG-CG 3.75Å; E245-R525 WeakPolarHBondContact OE1-CD 3.5Å; E245-R525 IonicContact OE1-CZ 2.86Å; E245-R525 IonicContact OE1-NE 2.77Å; E245-R525 IonicContact OE1-NH1 3.3Å
246T86.3Confident74.1Confident0 Ų047.1 Ų47.10%024%0.236CC..EExtended strand (participates in β ladder)trans-122.4144.9-179.958.40000108.5S244 Y248 Q263 H265 M524S244-T246 PolarHBondContact O-N 2.96Å; T246-Y248 WeakPolarHBondContact OG1-CE2 3.16Å; T246-Q263 PolarHBondContact OG1-NE2 3.06Å; T246-Q263 VanDerWaalsContact OG1-NE2 3.15Å; T246-H265 VanDerWaalsContact CG2-ND1 3.34Å; T246-H265 WeakPolarHBondContact CG2-ND1 3.38Å; T246-M524 PolarHBondContact N-O 3.36Å; T246-M524 PolarHBondContact O-N 3.45Å
247L90.7Very high75.9Confident0 Ų043.9 Ų43.90%023%0.229CC..EExtended strand (participates in β ladder)trans-94.9134.2179.616766.3000108.9I249 Q263 F264 T474 M495 C521 V522L247-I249 HydrophobicContact CD1-CG1 4.32Å; L247-I249 HydrophobicContact CD2-CD1 3.97Å; L247-I249 HydrophobicContact CD2-CG1 4.05Å; L247-I249 HydrophobicContact CG-CD1 4.45Å; L247-I249 HydrophobicContact CG-CG1 3.98Å; L247-Q263 CarbonylContact O-C 3.57Å; L247-Q263 VanDerWaalsContact O-CA 3.32Å; L247-Q263 WeakPolarHBondContact O-CA 3.39Å; L247-F264 HydrophobicContact CB-CB 4.16Å; L247-F264 HydrophobicContact CB-CD1 4.43Å; L247-F264 HydrophobicContact CD2-CB 4.43Å; L247-F264 HydrophobicContact CD2-CD1 4.37Å; L247-F264 PolarHBondContact N-O 3.13Å; L247-F264 PolarHBondContact O-N 3.04Å; L247-T474 HydrophobicContact CD1-CG2 3.5Å; L247-M495 HydrophobicContact CD2-SD 4.04Å; L247-C521 WeakPolarHBondContact CD1-SG 3.47Å; L247-V522 WeakPolarHBondContact CD1-O 3.27Å
248Y93Very high78Confident6 Ų646 Ų462%0.02423%0.232CC..EExtended strand (participates in β ladder)trans-111.8129.8170.5-77.2-97.2000110T246 L261 Y262 Q263 V294 Y315 C317 C521 V522 M524T246-Y248 WeakPolarHBondContact OG1-CE2 3.16Å; Y248-L261 HydrophobicContact CD1-CD1 4Å; Y248-L261 HydrophobicContact CD1-CD2 4.11Å; Y248-L261 HydrophobicContact CD1-CG 4.08Å; Y248-L261 HydrophobicContact CE1-CD2 4.47Å; Y248-Y262 CarbonylContact C-O 3.55Å; Y248-Y262 WeakPolarHBondContact CA-O 3.28Å; Y248-Q263 HydrophobicContact CD1-CB 4.23Å; Y248-Q263 HydrophobicContact CE1-CB 3.86Å; Y248-Q263 HydrophobicContact CE1-CG 4.15Å; Y248-Q263 HydrophobicContact CE2-CG 4.07Å; Y248-Q263 VanDerWaalsContact OH-CD 3.28Å; Y248-Q263 PolarHBondContact OH-NE2 3.24Å; Y248-Q263 VanDerWaalsContact OH-NE2 3.09Å; Y248-Q263 PolarHBondContact OH-OE1 2.98Å; Y248-V294 HydrophobicContact CD1-CG2 4.15Å; Y248-V294 HydrophobicContact CD2-CG2 4.36Å; Y248-V294 HydrophobicContact CG-CG2 3.95Å; Y248-Y315 HydrophobicContact CE1-CD1 4.46Å; Y248-Y315 AromaticContact CE1-CE1 4Å; Y248-Y315 HydrophobicContact CE1-CE1 4Å; Y248-C317 PolarHBondContact OH-SG 3.07Å; Y248-C521 WeakPolarHBondContact O-CA 3.34Å; Y248-V522 PolarHBondContact N-O 3.35Å; Y248-V522 PolarHBondContact O-N 2.94Å; Y248-M524 HydrophobicContact CD2-CB 4.22Å; Y248-M524 HydrophobicContact CD2-CE 3.52Å; Y248-M524 HydrophobicContact CE2-CB 4.24Å; Y248-M524 HydrophobicContact CE2-CE 3.4Å; Y248-M524 HydrophobicContact CE2-SD 3.92Å; Y248-M524 HydrophobicContact CG-CE 4.24Å
249I93.6Very high80.1Confident1 Ų142.5 Ų42.51%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-119.9124.7176.6-55.5-173.2000108.7L247 L261 Y262 W271 V483 I512 C514 L518 G520L247-I249 HydrophobicContact CD1-CG1 4.32Å; L247-I249 HydrophobicContact CD2-CD1 3.97Å; L247-I249 HydrophobicContact CD2-CG1 4.05Å; L247-I249 HydrophobicContact CG-CD1 4.45Å; L247-I249 HydrophobicContact CG-CG1 3.98Å; I249-L261 WeakPolarHBondContact O-CA 3.47Å; I249-Y262 PolarHBondContact N-O 3.47Å; I249-Y262 PolarHBondContact O-N 2.98Å; I249-W271 HydrophobicContact CD1-CH2 3.48Å; I249-W271 VanDerWaalsContact CD1-CH2 3.48Å; I249-W271 HydrophobicContact CD1-CZ3 3.79Å; I249-W271 HydrophobicContact CG1-CH2 4.38Å; I249-W271 HydrophobicContact CG1-CZ3 4.26Å; I249-V483 HydrophobicContact CD1-CG1 4.24Å; I249-V483 HydrophobicContact CD1-CG2 3.85Å; I249-I512 HydrophobicContact CD1-CG2 4.4Å; I249-C514 HydrophobicContact CG2-CB 4.14Å; I249-L518 HydrophobicContact CG2-CD2 3.89Å; I249-G520 WeakPolarHBondContact CA-O 3.4Å
250L94.4Very high82.2Confident2 Ų235.8 Ų35.81%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-109.5130.6173.7-177.862.6000109Q259 A260 L261 L277 Y285 V287 V296 R519 G520L250-Q259 HydrophobicContact CD1-CB 4.33Å; L250-A260 WeakPolarHBondContact CD1-O 3.43Å; L250-L261 HydrophobicContact CB-CD1 4.13Å; L250-L261 HydrophobicContact CD1-CB 4.22Å; L250-L261 HydrophobicContact CD1-CD1 4.4Å; L250-L277 HydrophobicContact CD1-CB 4.13Å; L250-L277 HydrophobicContact CD2-CD2 4.13Å; L250-Y285 HydrophobicContact CD2-CE2 3.62Å; L250-Y285 HydrophobicContact CG-CE2 4.39Å; L250-V287 HydrophobicContact CD2-CG2 4.09Å; L250-V296 HydrophobicContact CD2-CG2 3.69Å; L250-R519 PolarHBondContact O-N 3.39Å; L250-G520 PolarHBondContact N-O 3.43Å; L250-G520 PolarHBondContact O-N 2.98Å
251G92.4Very high84Confident0 Ų034.7 Ų34.70%019%0.185CC..EExtended strand (participates in β ladder)trans-163.6-179.4179.800000113.7Q259 A260 P515 P517G251-Q259 CarbonylContact O-C 3.36Å; G251-Q259 WeakPolarHBondContact O-CA 3.28Å; G251-A260 PolarHBondContact N-O 2.95Å; G251-A260 PolarHBondContact O-N 3.11Å; G251-P515 CarbonylContact C-O 3.43Å; G251-P517 CarbonylContact C-O 3.53Å; G251-P517 VanDerWaalsContact CA-O 3.28Å; G251-P517 WeakPolarHBondContact CA-O 3.45Å
252G90.8Very high86.2Confident1 Ų133.8 Ų33.81%0.0118%0.175CC..  trans121.3166.2177.800000113.3H254 P515 L516 P517G252-H254 PolarHBondContact O-N 3.44Å; G252-P515 PolarHBondContact N-O 2.93Å; G252-L516 CarbonylContact C-O 3.55Å; G252-P517 PolarHBondContact N-O 3.34Å; G252-P517 WeakPolarHBondContact O-CD 3.41Å
253P90.5Very high88.2Confident41 Ų4132.1 Ų32.127%0.26616%0.162SC..  trans-67.2133.5-177.6-13.127.9000110.4D255 K256P253-D255 WeakPolarHBondContact CB-OD1 3.37Å; P253-D255 PolarHBondContact O-N 2.96Å; P253-K256 HydrophobicContact CB-CG 3.99Å; P253-K256 HydrophobicContact CG-CG 4.04Å; P253-K256 PolarHBondContact O-N 3.31Å
254H90.2Very high89.9Confident50 Ų5031.7 Ų31.723%0.23116%0.157CC..THydrogen-bonded Turntrans-66-25.1179.963.7-82.4000112G252 K256 K280 N281 L282 W306G252-H254 PolarHBondContact O-N 3.44Å; H254-K256 PolarHBondContact O-N 2.92Å; H254-K280 CarbonylContact O-C 3.55Å; H254-N281 VanDerWaalsContact O-CA 3.26Å; H254-N281 WeakPolarHBondContact O-CA 3.44Å; H254-N281 PolarHBondContact O-N 3.41Å; H254-L282 WeakPolarHBondContact CB-O 3.36Å; H254-W306 AromaticContact CD2-CH2 3.95Å; H254-W306 AromaticContact NE2-CH2 3.83Å
255D89.7Confident90.9Very high85 Ų8532.6 Ų32.646%0.45516%0.159SC..THydrogen-bonded Turntrans-74.6-6.7179.564.2-53.4000114P253 K280P253-D255 WeakPolarHBondContact CB-OD1 3.37Å; P253-D255 PolarHBondContact O-N 2.96Å; D255-K280 VanDerWaalsContact O-CE 3.23Å; D255-K280 WeakPolarHBondContact O-CE 3.49Å
256K91.7Very high91Very high116 Ų11632.4 Ų32.450%0.50416%0.159SC..SBendtrans-88154175.1-61.2-65.9178.6-176.10111P253 H254 E258 K280P253-K256 HydrophobicContact CB-CG 3.99Å; P253-K256 HydrophobicContact CG-CG 4.04Å; P253-K256 PolarHBondContact O-N 3.31Å; H254-K256 PolarHBondContact O-N 2.92Å; K256-E258 PolarHBondContact O-N 3.19Å; K256-K280 VanDerWaalsContact O-CA 3.27Å; K256-K280 WeakPolarHBondContact O-CA 3.47Å
257E90.1Very high90.5Very high117 Ų11736.5 Ų36.555%0.54718%0.179SC..SBendtrans-63.3-29.9175.3-60.8-59.9155.600112.4Q278 R279 K280E257-Q278 CarbonylContact O-C 3.47Å; E257-Q278 WeakPolarHBondContact O-CA 3.38Å; E257-R279 PolarHBondContact O-N 3.49Å; E257-K280 HydrophobicContact CG-CD 4.38Å; E257-K280 WeakPolarHBondContact OE1-CD 3.4Å; E257-K280 WeakPolarHBondContact OE1-CE 3.34Å; E257-K280 IonicContact OE1-NZ 2.8Å; E257-K280 PolarHBondContact OE1-NZ 3.42Å
258E92.6Very high89.8Confident108 Ų10839 Ų3951%0.50520%0.196SC..  trans-123.9131.2-173-66.1-175.9165.200110.6K256 P276 L277 Q278K256-E258 PolarHBondContact O-N 3.19Å; E258-P276 HydrophobicContact CB-CB 3.94Å; E258-P276 HydrophobicContact CB-CG 4.09Å; E258-P276 HydrophobicContact CG-CB 4.37Å; E258-P276 HydrophobicContact CG-CG 4Å; E258-L277 WeakPolarHBondContact CA-O 3.39Å; E258-Q278 HydrophobicContact CG-CG 4.34Å
259Q93.8Very high89.3Confident0 Ų040 Ų400%021%0.209CC..BIsolated β-bridgetrans-107.4122.3167.3-62.7-177.162.400107.7L250 G251 P276 L277 R279 L282 Y285L250-Q259 HydrophobicContact CD1-CB 4.33Å; G251-Q259 CarbonylContact O-C 3.36Å; G251-Q259 WeakPolarHBondContact O-CA 3.28Å; Q259-P276 CarbonylContact O-C 3.52Å; Q259-P276 WeakPolarHBondContact O-CA 3.31Å; Q259-P276 VanDerWaalsContact O-CB 3.27Å; Q259-P276 WeakPolarHBondContact O-CB 3.47Å; Q259-L277 HydrophobicContact CB-CB 4.38Å; Q259-L277 PolarHBondContact N-O 3.11Å; Q259-L277 PolarHBondContact O-N 3.44Å; Q259-R279 PolarHBondContact NE2-O 3.43Å; Q259-L282 PolarHBondContact NE2-O 3.28Å; Q259-Y285 PolarHBondContact OE1-OH 2.88Å
260A94.7Very high88.9Confident20 Ų2048.6 Ų48.617%0.16524%0.241CC..EExtended strand (participates in β ladder)trans-78.6136.8-167.800000112.1L250 G251 Y262 P515L250-A260 WeakPolarHBondContact CD1-O 3.43Å; G251-A260 PolarHBondContact N-O 2.95Å; G251-A260 PolarHBondContact O-N 3.11Å; A260-Y262 HydrophobicContact CB-CD2 4.21Å; A260-Y262 HydrophobicContact CB-CE2 3.69Å; A260-P515 HydrophobicContact CB-CG 4.01Å
261L95.1Very high88.7Confident1 Ų151 Ų511%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-108.9128.3173.7-178.567.6000108.9Y248 I249 L250 C274 Y315 W322Y248-L261 HydrophobicContact CD1-CD1 4Å; Y248-L261 HydrophobicContact CD1-CD2 4.11Å; Y248-L261 HydrophobicContact CD1-CG 4.08Å; Y248-L261 HydrophobicContact CE1-CD2 4.47Å; I249-L261 WeakPolarHBondContact O-CA 3.47Å; L250-L261 HydrophobicContact CB-CD1 4.13Å; L250-L261 HydrophobicContact CD1-CB 4.22Å; L250-L261 HydrophobicContact CD1-CD1 4.4Å; L261-C274 HydrophobicContact CB-CB 3.98Å; L261-C274 HydrophobicContact CD2-CB 3.72Å; L261-C274 HydrophobicContact CG-CB 3.79Å; L261-C274 WeakPolarHBondContact O-CB 3.49Å; L261-C274 PolarHBondContact O-N 3.19Å; L261-Y315 HydrophobicContact CD2-CD1 3.59Å; L261-Y315 HydrophobicContact CD2-CD2 3.99Å; L261-Y315 HydrophobicContact CD2-CE1 3.68Å; L261-Y315 HydrophobicContact CD2-CE2 4.09Å; L261-Y315 HydrophobicContact CD2-CG 3.74Å; L261-W322 HydrophobicContact CD2-CZ2 3.89Å
262Y93.6Very high88.7Confident46 Ų4654.6 Ų54.618%0.1827%0.267CS..EExtended strand (participates in β ladder)trans-123.9140.6176.1-76-88.7000111Y248 I249 A260 Q272 P513 C514Y248-Y262 CarbonylContact C-O 3.55Å; Y248-Y262 WeakPolarHBondContact CA-O 3.28Å; I249-Y262 PolarHBondContact N-O 3.47Å; I249-Y262 PolarHBondContact O-N 2.98Å; A260-Y262 HydrophobicContact CB-CD2 4.21Å; A260-Y262 HydrophobicContact CB-CE2 3.69Å; Y262-Q272 WeakPolarHBondContact CA-O 3.19Å; Y262-P513 HydrophobicContact CD1-CB 4.18Å; Y262-P513 HydrophobicContact CD1-CG 3.56Å; Y262-P513 HydrophobicContact CE1-CB 3.73Å; Y262-P513 HydrophobicContact CE1-CG 3.64Å; Y262-P513 HydrophobicContact CG-CG 4.09Å; Y262-C514 HydrophobicContact CD2-CB 3.67Å; Y262-C514 HydrophobicContact CE2-CB 4.2Å; Y262-C514 HydrophobicContact CG-CB 4.42Å
263Q92.1Very high88.8Confident14 Ų1458 Ų587%0.06529%0.291CS..EExtended strand (participates in β ladder)trans-102.4134.2170.8-177.5177.523.500109.5T246 L247 Y248 H265 W271 Q272T246-Q263 PolarHBondContact OG1-NE2 3.06Å; T246-Q263 VanDerWaalsContact OG1-NE2 3.15Å; L247-Q263 CarbonylContact O-C 3.57Å; L247-Q263 VanDerWaalsContact O-CA 3.32Å; L247-Q263 WeakPolarHBondContact O-CA 3.39Å; Y248-Q263 HydrophobicContact CD1-CB 4.23Å; Y248-Q263 HydrophobicContact CE1-CB 3.86Å; Y248-Q263 HydrophobicContact CE1-CG 4.15Å; Y248-Q263 HydrophobicContact CE2-CG 4.07Å; Y248-Q263 VanDerWaalsContact OH-CD 3.28Å; Y248-Q263 PolarHBondContact OH-NE2 3.24Å; Y248-Q263 VanDerWaalsContact OH-NE2 3.09Å; Y248-Q263 PolarHBondContact OH-OE1 2.98Å; Q263-H265 PolarHBondContact NE2-CE1 2.94Å; Q263-W271 CarbonylContact O-C 3.53Å; Q263-W271 WeakPolarHBondContact O-CA 3.36Å; Q263-Q272 HydrophobicContact CB-CB 4.41Å; Q263-Q272 PolarHBondContact N-O 3.25Å; Q263-Q272 PolarHBondContact O-N 3.49Å
264F89.3Confident88.9Confident4 Ų456.5 Ų56.52%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-114135172.5178.7-112.1000110.1L247 P266 W271 Y481 M495L247-F264 HydrophobicContact CB-CB 4.16Å; L247-F264 HydrophobicContact CB-CD1 4.43Å; L247-F264 HydrophobicContact CD2-CB 4.43Å; L247-F264 HydrophobicContact CD2-CD1 4.37Å; L247-F264 PolarHBondContact N-O 3.13Å; L247-F264 PolarHBondContact O-N 3.04Å; F264-P266 HydrophobicContact CD1-CG 4.05Å; F264-P266 HydrophobicContact CE1-CB 4.31Å; F264-P266 HydrophobicContact CE1-CG 4.05Å; F264-P266 WeakPolarHBondContact O-CD 3.43Å; F264-W271 HydrophobicContact CB-CD2 4.11Å; F264-W271 HydrophobicContact CB-CE3 3.76Å; F264-W271 HydrophobicContact CB-CH2 3.79Å; F264-W271 HydrophobicContact CB-CZ2 4.15Å; F264-W271 HydrophobicContact CB-CZ3 3.61Å; F264-W271 AromaticContact CD2-CD2 3.74Å; F264-W271 HydrophobicContact CD2-CD2 3.74Å; F264-W271 AromaticContact CD2-CE2 3.42Å; F264-W271 VanDerWaalsContact CD2-CE2 3.42Å; F264-W271 HydrophobicContact CD2-CE3 4.28Å; F264-W271 HydrophobicContact CD2-CG 4.12Å; F264-W271 HydrophobicContact CD2-CH2 4.23Å; F264-W271 AromaticContact CD2-CZ2 3.71Å; F264-W271 HydrophobicContact CD2-CZ2 3.71Å; F264-W271 AromaticContact CD2-NE1 3.62Å; F264-W271 HydrophobicContact CE2-CZ2 4.31Å; F264-W271 AromaticContact CE2-NE1 3.85Å; F264-W271 HydrophobicContact CG-CD2 4.35Å; F264-W271 HydrophobicContact CG-CE3 4.45Å; F264-W271 HydrophobicContact CG-CH2 4.11Å; F264-W271 HydrophobicContact CG-CZ2 4Å; F264-W271 HydrophobicContact CG-CZ3 4.36Å; F264-Y481 HydrophobicContact CE1-CD1 4.32Å; F264-Y481 AromaticContact CE1-CE1 3.81Å; F264-Y481 HydrophobicContact CE1-CE1 3.81Å; F264-M495 HydrophobicContact CD1-CE 3.92Å; F264-M495 HydrophobicContact CD1-SD 4.39Å; F264-M495 HydrophobicContact CD2-CE 4.21Å; F264-M495 HydrophobicContact CE1-CE 3.53Å; F264-M495 HydrophobicContact CE1-SD 4.39Å; F264-M495 HydrophobicContact CE2-CE 3.83Å; F264-M495 HydrophobicContact CG-CE 4.25Å; F264-M495 HydrophobicContact CZ-CE 3.48Å; F264-M495 VanDerWaalsContact CZ-CE 3.48Å
265H85.9Confident89.1Confident45 Ų4556.5 Ų56.521%0.20829%0.287CS..EExtended strand (participates in β ladder)trans-108.197.6178-65.4-76.3000110.5T246 Q263 Q267 S268 G269 R270T246-H265 VanDerWaalsContact CG2-ND1 3.34Å; T246-H265 WeakPolarHBondContact CG2-ND1 3.38Å; Q263-H265 PolarHBondContact NE2-CE1 2.94Å; H265-Q267 VanDerWaalsContact C-N 3.32Å; H265-Q267 PolarHBondContact O-N 3.29Å; H265-S268 WeakPolarHBondContact CB-OG 3.22Å; H265-S268 PolarHBondContact O-N 2.59Å; H265-S268 PolarHBondContact O-OG 2.81Å; H265-G269 PolarHBondContact O-N 3.2Å; H265-R270 PolarHBondContact N-O 3.1Å
266P80.8Confident89.4Confident23 Ų2354 Ų5415%0.14928%0.275CS..THydrogen-bonded Turntrans-53-42.2-174.5-33.241000114.7E245 F264 S268 G269 V476 Y481E245-P266 WeakPolarHBondContact O-CD 3.44Å; F264-P266 HydrophobicContact CD1-CG 4.05Å; F264-P266 HydrophobicContact CE1-CB 4.31Å; F264-P266 HydrophobicContact CE1-CG 4.05Å; F264-P266 WeakPolarHBondContact O-CD 3.43Å; P266-S268 PolarHBondContact O-N 3.23Å; P266-G269 PolarHBondContact O-N 3.21Å; P266-V476 HydrophobicContact CB-CG1 4.26Å; P266-V476 HydrophobicContact CG-CB 4.42Å; P266-V476 HydrophobicContact CG-CG1 3.68Å; P266-Y481 HydrophobicContact CG-CE2 4.48Å
267Q75.1Confident89.6Confident87 Ų8748.6 Ų48.641%0.40725%0.252SS..THydrogen-bonded Turntrans-68.9-21.6-176.2-55.48111.200113.2F164 H265F164-Q267 HydrophobicContact CD2-CB 4.05Å; H265-Q267 VanDerWaalsContact C-N 3.32Å; H265-Q267 PolarHBondContact O-N 3.29Å
268S77.4Confident89.7Confident51 Ų5149.8 Ų49.836%0.35726%0.257SS..THydrogen-bonded Turntrans-112.5-11.5-179.170.60000114.1H265 P266 R270H265-S268 WeakPolarHBondContact CB-OG 3.22Å; H265-S268 PolarHBondContact O-N 2.59Å; H265-S268 PolarHBondContact O-OG 2.81Å; P266-S268 PolarHBondContact O-N 3.23Å; S268-R270 PolarHBondContact O-N 2.63Å; S268-R270 WeakPolarHBondContact OG-CB 3.35Å; S268-R270 PolarHBondContact OG-N 2.94Å
269G81.3Confident89.6Confident29 Ų2947.2 Ų47.230%0.29924%0.243SC..THydrogen-bonded Turntrans6614.7-172.800000114.3H265 P266H265-G269 PolarHBondContact O-N 3.2Å; P266-G269 PolarHBondContact O-N 3.21Å
270R86.1Confident89.5Confident180 Ų18051.1 Ų51.168%0.67926%0.26SS*.EExtended strand (participates in β ladder)trans-96.2142.7-173-64.9-177.1-179-171.9-0.8112.6H265 S268H265-R270 PolarHBondContact N-O 3.1Å; S268-R270 PolarHBondContact O-N 2.63Å; S268-R270 WeakPolarHBondContact OG-CB 3.35Å; S268-R270 PolarHBondContact OG-N 2.94Å
271W90.1Very high89.5Confident54 Ų5452 Ų5221%0.20526%0.262CS..EExtended strand (participates in β ladder)trans-100.2142170.3-66.691.3000111.3I249 Q263 F264 M495 I512 P513I249-W271 HydrophobicContact CD1-CH2 3.48Å; I249-W271 VanDerWaalsContact CD1-CH2 3.48Å; I249-W271 HydrophobicContact CD1-CZ3 3.79Å; I249-W271 HydrophobicContact CG1-CH2 4.38Å; I249-W271 HydrophobicContact CG1-CZ3 4.26Å; Q263-W271 CarbonylContact O-C 3.53Å; Q263-W271 WeakPolarHBondContact O-CA 3.36Å; F264-W271 HydrophobicContact CB-CD2 4.11Å; F264-W271 HydrophobicContact CB-CE3 3.76Å; F264-W271 HydrophobicContact CB-CH2 3.79Å; F264-W271 HydrophobicContact CB-CZ2 4.15Å; F264-W271 HydrophobicContact CB-CZ3 3.61Å; F264-W271 AromaticContact CD2-CD2 3.74Å; F264-W271 HydrophobicContact CD2-CD2 3.74Å; F264-W271 AromaticContact CD2-CE2 3.42Å; F264-W271 VanDerWaalsContact CD2-CE2 3.42Å; F264-W271 HydrophobicContact CD2-CE3 4.28Å; F264-W271 HydrophobicContact CD2-CG 4.12Å; F264-W271 HydrophobicContact CD2-CH2 4.23Å; F264-W271 AromaticContact CD2-CZ2 3.71Å; F264-W271 HydrophobicContact CD2-CZ2 3.71Å; F264-W271 AromaticContact CD2-NE1 3.62Å; F264-W271 HydrophobicContact CE2-CZ2 4.31Å; F264-W271 AromaticContact CE2-NE1 3.85Å; F264-W271 HydrophobicContact CG-CD2 4.35Å; F264-W271 HydrophobicContact CG-CE3 4.45Å; F264-W271 HydrophobicContact CG-CH2 4.11Å; F264-W271 HydrophobicContact CG-CZ2 4Å; F264-W271 HydrophobicContact CG-CZ3 4.36Å; W271-M495 HydrophobicContact CH2-CE 4.41Å; W271-M495 HydrophobicContact CH2-SD 4.28Å; W271-M495 HydrophobicContact CZ2-CE 3.72Å; W271-M495 HydrophobicContact CZ2-SD 4.13Å; W271-I512 HydrophobicContact CH2-CG1 4.34Å; W271-I512 HydrophobicContact CH2-CG2 3.93Å; W271-I512 HydrophobicContact CZ2-CB 4.34Å; W271-I512 HydrophobicContact CZ2-CG1 3.98Å; W271-I512 HydrophobicContact CZ2-CG2 4.2Å; W271-I512 HydrophobicContact CZ3-CG2 4.36Å; W271-P513 HydrophobicContact CB-CG 3.83Å; W271-P513 VanDerWaalsContact CD2-CD 3.46Å; W271-P513 HydrophobicContact CD2-CG 3.86Å; W271-P513 HydrophobicContact CE3-CG 4.04Å; W271-P513 HydrophobicContact CG-CG 3.78Å
272Q91.1Very high89.5Confident74 Ų7452.2 Ų52.235%0.34626%0.263SS..EExtended strand (participates in β ladder)trans-128.7132.7173.1177.7172.6-14.100109.5Y262 Q263Y262-Q272 WeakPolarHBondContact CA-O 3.19Å; Q263-Q272 HydrophobicContact CB-CB 4.41Å; Q263-Q272 PolarHBondContact N-O 3.25Å; Q263-Q272 PolarHBondContact O-N 3.49Å
273S92.9Very high89.5Confident74 Ų7450.6 Ų50.652%0.51726%0.258SS..EExtended strand (participates in β ladder)trans-77.1135.2171.6-166.60000109.8
274C94.2Very high89.6Confident9 Ų953.5 Ų53.56%0.06127%0.271CS..  trans-105.8172.7172.7-65.40000109.8L261 Y315L261-C274 HydrophobicContact CB-CB 3.98Å; L261-C274 HydrophobicContact CD2-CB 3.72Å; L261-C274 HydrophobicContact CG-CB 3.79Å; L261-C274 WeakPolarHBondContact O-CB 3.49Å; L261-C274 PolarHBondContact O-N 3.19Å; C274-Y315 HydrophobicContact CB-CE1 4.33Å; C274-Y315 HydrophobicContact CB-CE2 4.49Å; C274-Y315 WeakPolarHBondContact CB-OH 3.49Å
275S94.6Very high90Very high50 Ų5053.8 Ų53.835%0.3527%0.273SS..  trans-61.1129.9172.2-56.90000110.1Q320 W322S275-Q320 PolarHBondContact OG-O 2.66Å; S275-W322 PolarHBondContact O-NE1 3.38Å
276P95Very high90.5Very high33 Ų3352.5 Ų52.521%0.21427%0.269CS..  trans-72.5156.1-177.930.5-35.2000111.3E258 Q259 Q278 W322E258-P276 HydrophobicContact CB-CB 3.94Å; E258-P276 HydrophobicContact CB-CG 4.09Å; E258-P276 HydrophobicContact CG-CB 4.37Å; E258-P276 HydrophobicContact CG-CG 4Å; Q259-P276 CarbonylContact O-C 3.52Å; Q259-P276 WeakPolarHBondContact O-CA 3.31Å; Q259-P276 VanDerWaalsContact O-CB 3.27Å; Q259-P276 WeakPolarHBondContact O-CB 3.47Å; P276-Q278 PolarHBondContact O-N 2.84Å; P276-W322 VanDerWaalsContact O-CD1 3.26Å; P276-W322 PolarHBondContact O-NE1 3.03Å
277L95.2Very high91.2Very high2 Ų252.2 Ų52.21%0.0127%0.266CS..BIsolated β-bridgetrans-73.3115.2168.5177.867.3000109L250 E258 Q259 R279 V296 R313 W322L250-L277 HydrophobicContact CD1-CB 4.13Å; L250-L277 HydrophobicContact CD2-CD2 4.13Å; E258-L277 WeakPolarHBondContact CA-O 3.39Å; Q259-L277 HydrophobicContact CB-CB 4.38Å; Q259-L277 PolarHBondContact N-O 3.11Å; Q259-L277 PolarHBondContact O-N 3.44Å; L277-R279 VanDerWaalsContact C-N 3.33Å; L277-R279 HydrophobicContact CD1-CG 3.97Å; L277-R279 HydrophobicContact CD2-CB 4.34Å; L277-R279 HydrophobicContact CD2-CG 4.44Å; L277-R279 HydrophobicContact CG-CB 4.1Å; L277-R279 HydrophobicContact CG-CG 4.01Å; L277-R279 PolarHBondContact O-N 3.4Å; L277-R279 VanDerWaalsContact O-N 3.07Å; L277-V296 HydrophobicContact CD2-CG1 4.34Å; L277-V296 HydrophobicContact CD2-CG2 4.46Å; L277-R313 HydrophobicContact CD1-CB 3.97Å; L277-R313 HydrophobicContact CD1-CG 3.94Å; L277-W322 HydrophobicContact CB-CH2 4.42Å; L277-W322 HydrophobicContact CB-CZ2 3.93Å; L277-W322 HydrophobicContact CD1-CD2 4.1Å; L277-W322 HydrophobicContact CD1-CE3 4Å; L277-W322 HydrophobicContact CD1-CH2 4.25Å; L277-W322 HydrophobicContact CD1-CZ2 4.36Å; L277-W322 HydrophobicContact CD1-CZ3 4.07Å
278Q92.5Very high92.2Very high142 Ų14248.2 Ų48.266%0.66425%0.248SC*.  trans-85.572.7179.6-66.5-175.1-10.100111.2E257 E258 P276E257-Q278 CarbonylContact O-C 3.47Å; E257-Q278 WeakPolarHBondContact O-CA 3.38Å; E258-Q278 HydrophobicContact CG-CG 4.34Å; P276-Q278 PolarHBondContact O-N 2.84Å
279R90.2Very high93Very high53 Ų5346.9 Ų46.920%0.224%0.24CC..  trans-141.997.3179.6-69.6-61.6-164.7172.413.2110.8E257 Q259 L277 L282 R313E257-R279 PolarHBondContact O-N 3.49Å; Q259-R279 PolarHBondContact NE2-O 3.43Å; L277-R279 VanDerWaalsContact C-N 3.33Å; L277-R279 HydrophobicContact CD1-CG 3.97Å; L277-R279 HydrophobicContact CD2-CB 4.34Å; L277-R279 HydrophobicContact CD2-CG 4.44Å; L277-R279 HydrophobicContact CG-CB 4.1Å; L277-R279 HydrophobicContact CG-CG 4.01Å; L277-R279 PolarHBondContact O-N 3.4Å; L277-R279 VanDerWaalsContact O-N 3.07Å; R279-L282 HydrophobicContact CB-CB 4.21Å; R279-L282 HydrophobicContact CB-CD2 4.04Å; R279-L282 HydrophobicContact CG-CD2 4.26Å; R279-R313 VanDerWaalsContact CZ-CZ 3.47Å; R279-R313 VanDerWaalsContact CZ-NH2 3.34Å
280K92.4Very high93.5Very high82 Ų8245.8 Ų45.836%0.35723%0.228SC..THydrogen-bonded Turntrans-69151.1168.2-170161.3173.3-173.60111.7H254 D255 K256 E257 L282 F301H254-K280 CarbonylContact O-C 3.55Å; D255-K280 VanDerWaalsContact O-CE 3.23Å; D255-K280 WeakPolarHBondContact O-CE 3.49Å; K256-K280 VanDerWaalsContact O-CA 3.27Å; K256-K280 WeakPolarHBondContact O-CA 3.47Å; E257-K280 HydrophobicContact CG-CD 4.38Å; E257-K280 WeakPolarHBondContact OE1-CD 3.4Å; E257-K280 WeakPolarHBondContact OE1-CE 3.34Å; E257-K280 IonicContact OE1-NZ 2.8Å; E257-K280 PolarHBondContact OE1-NZ 3.42Å; K280-L282 PolarHBondContact O-N 2.77Å; K280-L282 VanDerWaalsContact O-N 3.15Å; K280-F301 WeakPolarHBondContact O-CE2 3.38Å
281N93.8Very high93.5Very high40 Ų4039.5 Ų39.521%0.21422%0.219CC..THydrogen-bonded Turntrans58.916.9175.8-66.8-16.2000116.1H254 F301 R302H254-N281 VanDerWaalsContact O-CA 3.26Å; H254-N281 WeakPolarHBondContact O-CA 3.44Å; H254-N281 PolarHBondContact O-N 3.41Å; N281-F301 HydrophobicContact CB-CD2 4.24Å; N281-F301 HydrophobicContact CB-CE2 4.07Å; N281-F301 WeakPolarHBondContact O-CA 3.39Å; N281-R302 HydrophobicContact CB-CB 3.99Å; N281-R302 WeakPolarHBondContact CB-O 3.41Å; N281-R302 PolarHBondContact ND2-O 3.04Å; N281-R302 PolarHBondContact O-N 3.23Å
282L95.6Very high93.4Very high4 Ų439.7 Ų39.72%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-102.3126.3179-173.567.7000111H254 Q259 R279 K280 Y285 F301 V309H254-L282 WeakPolarHBondContact CB-O 3.36Å; Q259-L282 PolarHBondContact NE2-O 3.28Å; R279-L282 HydrophobicContact CB-CB 4.21Å; R279-L282 HydrophobicContact CB-CD2 4.04Å; R279-L282 HydrophobicContact CG-CD2 4.26Å; K280-L282 PolarHBondContact O-N 2.77Å; K280-L282 VanDerWaalsContact O-N 3.15Å; L282-Y285 HydrophobicContact CD2-CD1 4.16Å; L282-Y285 HydrophobicContact CG-CD1 3.89Å; L282-Y285 HydrophobicContact CG-CE1 4.46Å; L282-F301 HydrophobicContact CB-CD2 4.44Å; L282-F301 HydrophobicContact CD1-CB 4.08Å; L282-V309 HydrophobicContact CD1-CG2 3.76Å
283T94.8Very high93.5Very high12 Ų1237.9 Ų37.97%0.07422%0.217CC..EExtended strand (participates in β ladder)trans-137.9175.9178.1-173.80000110.5Y285 G299 Y300 W306 R519T283-Y285 PolarHBondContact O-N 2.86Å; T283-G299 CarbonylContact O-C 3.54Å; T283-G299 VanDerWaalsContact O-CA 3.29Å; T283-G299 WeakPolarHBondContact O-CA 3.42Å; T283-Y300 PolarHBondContact N-O 2.93Å; T283-Y300 PolarHBondContact O-N 2.91Å; T283-W306 HydrophobicContact CG2-CH2 4.06Å; T283-W306 HydrophobicContact CG2-CZ3 3.62Å; T283-R519 PolarHBondContact OG1-NH1 3.34Å; T283-R519 PolarHBondContact OG1-NH2 3.17Å
284Q94.4Very high93.6Very high75 Ų7534.3 Ų34.335%0.3519%0.192SC..SBendtrans5325.9173.1-66.2171.9-57.100114.5H333 S334Q284-H333 HydrophobicContact CB-CB 4.13Å; Q284-S334 PolarHBondContact NE2-OG 3.08Å; Q284-S334 PolarHBondContact O-N 2.8Å
285Y96.8Very high93.7Very high11 Ų1133.9 Ų33.94%0.04319%0.189CC..  trans-81.8166168.954.3-98.8000109.8L250 Q259 L282 T283 V287 V296 T297 G298 R519L250-Y285 HydrophobicContact CD2-CE2 3.62Å; L250-Y285 HydrophobicContact CG-CE2 4.39Å; Q259-Y285 PolarHBondContact OE1-OH 2.88Å; L282-Y285 HydrophobicContact CD2-CD1 4.16Å; L282-Y285 HydrophobicContact CG-CD1 3.89Å; L282-Y285 HydrophobicContact CG-CE1 4.46Å; T283-Y285 PolarHBondContact O-N 2.86Å; Y285-V287 HydrophobicContact CD2-CG2 3.91Å; Y285-V287 HydrophobicContact CE2-CG2 3.81Å; Y285-V296 HydrophobicContact CD2-CG1 3.55Å; Y285-V296 HydrophobicContact CE2-CG1 4.12Å; Y285-V296 HydrophobicContact CG-CG1 3.85Å; Y285-T297 WeakPolarHBondContact CB-O 3.45Å; Y285-G298 WeakPolarHBondContact CB-O 3.38Å; Y285-R519 HydrophobicContact CE1-CB 4.32Å; Y285-R519 HydrophobicContact CE1-CG 4.29Å; Y285-R519 HydrophobicContact CE2-CB 3.58Å; Y285-R519 HydrophobicContact CE2-CG 4.39Å; Y285-R519 VanDerWaalsContact CZ-CB 3.46Å; Y285-R519 WeakPolarHBondContact OH-CB 3.37Å; Y285-R519 VanDerWaalsContact OH-CG 3.31Å; Y285-R519 WeakPolarHBondContact OH-CG 3.49Å
286S96.4Very high93.9Very high18 Ų1831.7 Ų31.713%0.12617%0.174CC..EExtended strand (participates in β ladder)trans-115.6143.7177.8-150.50000111.4V296 T297 H335 S337S286-V296 WeakPolarHBondContact O-CA 3.4Å; S286-T297 PolarHBondContact N-O 3.43Å; S286-T297 PolarHBondContact O-N 2.81Å; S286-T297 PolarHBondContact O-OG1 2.78Å; S286-H335 WeakPolarHBondContact CB-NE2 3.42Å; S286-H335 WeakPolarHBondContact CB-O 3.28Å; S286-H335 PolarHBondContact OG-O 2.98Å; S286-H335 VanDerWaalsContact OG-O 3.13Å; S286-S337 VanDerWaalsContact CB-OG 3.31Å; S286-S337 WeakPolarHBondContact CB-OG 3.49Å; S286-S337 PolarHBondContact OG-N 3.4Å; S286-S337 PolarHBondContact OG-OG 3.24Å
287V96.3Very high94Very high16 Ų1630.1 Ų30.110%0.09716%0.163CC..EExtended strand (participates in β ladder)trans-118.4126.3-176-171.20000109.5L250 Y285 V294 V295 V296 S337 V522L250-V287 HydrophobicContact CD2-CG2 4.09Å; Y285-V287 HydrophobicContact CD2-CG2 3.91Å; Y285-V287 HydrophobicContact CE2-CG2 3.81Å; V287-V294 HydrophobicContact CG1-CG1 3.45Å; V287-V294 VanDerWaalsContact CG1-CG1 3.45Å; V287-V295 WeakPolarHBondContact CA-O 3.3Å; V287-V296 HydrophobicContact CG2-CG2 4.25Å; V287-S337 PolarHBondContact N-OG 3.47Å; V287-V522 HydrophobicContact CB-CG1 4.29Å; V287-V522 HydrophobicContact CG1-CG1 3.92Å; V287-V522 HydrophobicContact CG1-CG2 4.25Å; V287-V522 VanDerWaalsContact O-CG1 3.27Å; V287-V522 WeakPolarHBondContact O-CG1 3.49Å
288A95.7Very high94.2Very high3 Ų330.1 Ų30.13%0.02516%0.163CC..EExtended strand (participates in β ladder)trans-127.8156.2176.200000110.8V295 V344A288-V295 PolarHBondContact N-O 2.84Å; A288-V295 PolarHBondContact O-N 3.08Å; A288-V344 HydrophobicContact CB-CG1 4.43Å
289A93.6Very high94.4Very high23 Ų2323.3 Ų23.319%0.1913%0.132CC..EExtended strand (participates in β ladder)trans-109.9130.516900000109.7N293 G339 V522 T523 M524A289-N293 WeakPolarHBondContact CA-O 3.45Å; A289-G339 WeakPolarHBondContact O-CA 2.97Å; A289-V522 HydrophobicContact CB-CB 3.97Å; A289-V522 HydrophobicContact CB-CG2 4.02Å; A289-T523 VanDerWaalsContact CB-O 3.23Å; A289-T523 WeakPolarHBondContact CB-O 3.27Å; A289-M524 HydrophobicContact CB-CB 4.49Å
290V91.8Very high94.7Very high6 Ų623.8 Ų23.84%0.03613%0.134CC..EExtended strand (participates in β ladder)trans-139.6121.7175.51740000109.4D292 N293 A343 V344 L364V290-D292 PolarHBondContact O-N 2.96Å; V290-N293 PolarHBondContact N-O 3.1Å; V290-N293 PolarHBondContact O-N 2.97Å; V290-N293 VanDerWaalsContact O-N 3.12Å; V290-A343 WeakPolarHBondContact CG2-O 3.4Å; V290-V344 HydrophobicContact CB-CG2 3.96Å; V290-V344 HydrophobicContact CG1-CG2 4.47Å; V290-V344 HydrophobicContact CG2-CB 4.24Å; V290-V344 HydrophobicContact CG2-CG2 3.42Å; V290-V344 VanDerWaalsContact CG2-CG2 3.42Å; V290-L364 HydrophobicContact CB-CD1 3.83Å; V290-L364 HydrophobicContact CG1-CD1 3.73Å; V290-L364 HydrophobicContact CG1-CG 4.17Å
291G86.4Confident94.9Very high49 Ų4921.7 Ų21.751%0.50513%0.125SC..THydrogen-bonded Turntrans55.4-127.2-170.800000111.1N293G291-N293 VanDerWaalsContact C-N 3.34Å
292D87.6Confident94.9Very high57 Ų5725.5 Ų25.531%0.30514%0.136SC..THydrogen-bonded Turntrans-95.623.4179.2-61-38.2000113.2V290 C317V290-D292 PolarHBondContact O-N 2.96Å; D292-C317 WeakPolarHBondContact O-CB 3.39Å; D292-C317 PolarHBondContact O-N 2.84Å
293N92.8Very high94.5Very high36 Ų3630.8 Ų30.819%0.19317%0.165CC..EExtended strand (participates in β ladder)trans-126.2141.5-174.2-57.3-57.6000112.8A289 V290 G291 I314 Y315 E316 L364A289-N293 WeakPolarHBondContact CA-O 3.45Å; V290-N293 PolarHBondContact N-O 3.1Å; V290-N293 PolarHBondContact O-N 2.97Å; V290-N293 VanDerWaalsContact O-N 3.12Å; G291-N293 VanDerWaalsContact C-N 3.34Å; N293-I314 HydrophobicContact CB-CG2 3.83Å; N293-Y315 VanDerWaalsContact CA-O 3.32Å; N293-Y315 WeakPolarHBondContact CA-O 3.48Å; N293-E316 WeakPolarHBondContact OD1-CA 3.32Å; N293-L364 HydrophobicContact CB-CD1 4.28Å
294V95.8Very high94.3Very high0 Ų036.1 Ų36.10%020%0.197CC..EExtended strand (participates in β ladder)trans-93.8130.2162.2-174.20000108.5Y248 V287 I314 Y315 V522 M524Y248-V294 HydrophobicContact CD1-CG2 4.15Å; Y248-V294 HydrophobicContact CD2-CG2 4.36Å; Y248-V294 HydrophobicContact CG-CG2 3.95Å; V287-V294 HydrophobicContact CG1-CG1 3.45Å; V287-V294 VanDerWaalsContact CG1-CG1 3.45Å; V294-I314 CarbonylContact O-C 3.55Å; V294-I314 WeakPolarHBondContact O-CA 3.31Å; V294-Y315 HydrophobicContact CG2-CD1 4.38Å; V294-Y315 PolarHBondContact N-O 2.9Å; V294-Y315 PolarHBondContact O-N 3.31Å; V294-V522 HydrophobicContact CG1-CG2 4.14Å; V294-V522 HydrophobicContact CG2-CG2 4.34Å; V294-M524 HydrophobicContact CB-CE 4.5Å; V294-M524 HydrophobicContact CG2-CE 3.28Å
295V96.9Very high94.3Very high0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-118.5123.2-178.4-171.70000109.5V287 A288 T297 V312 R313 I314 V344 L364V287-V295 WeakPolarHBondContact CA-O 3.3Å; A288-V295 PolarHBondContact N-O 2.84Å; A288-V295 PolarHBondContact O-N 3.08Å; V295-T297 HydrophobicContact CG1-CG2 3.89Å; V295-V312 HydrophobicContact CG1-CG1 3.79Å; V295-R313 WeakPolarHBondContact CA-O 3.43Å; V295-I314 HydrophobicContact CG1-CG1 4.32Å; V295-I314 HydrophobicContact CG2-CG1 4.4Å; V295-I314 HydrophobicContact CG2-CG2 4.49Å; V295-V344 HydrophobicContact CB-CG2 4.23Å; V295-V344 HydrophobicContact CG1-CG2 4.3Å; V295-V344 HydrophobicContact CG2-CG2 3.9Å; V295-L364 HydrophobicContact CG2-CD1 4.15Å
296V97.8Very high94.2Very high4 Ų442.6 Ų42.62%0.02423%0.228CC..EExtended strand (participates in β ladder)trans-101.7128.7171.6178.50000108.1L250 L277 Y285 S286 V287 V312 R313 W322L250-V296 HydrophobicContact CD2-CG2 3.69Å; L277-V296 HydrophobicContact CD2-CG1 4.34Å; L277-V296 HydrophobicContact CD2-CG2 4.46Å; Y285-V296 HydrophobicContact CD2-CG1 3.55Å; Y285-V296 HydrophobicContact CE2-CG1 4.12Å; Y285-V296 HydrophobicContact CG-CG1 3.85Å; S286-V296 WeakPolarHBondContact O-CA 3.4Å; V287-V296 HydrophobicContact CG2-CG2 4.25Å; V296-V312 WeakPolarHBondContact O-CA 3.43Å; V296-R313 HydrophobicContact CB-CB 4.25Å; V296-R313 PolarHBondContact N-O 2.71Å; V296-R313 PolarHBondContact O-N 2.78Å; V296-W322 HydrophobicContact CB-CZ3 4.46Å; V296-W322 HydrophobicContact CG2-CH2 3.65Å; V296-W322 HydrophobicContact CG2-CZ3 3.78Å
297T98.1Very high94.2Very high0 Ų045.1 Ų45.10%024%0.237CC..EExtended strand (participates in β ladder)trans-126.7136.3-174.9550000111.1Y285 S286 V295 V312 M328 H335 V346 W370Y285-T297 WeakPolarHBondContact CB-O 3.45Å; S286-T297 PolarHBondContact N-O 3.43Å; S286-T297 PolarHBondContact O-N 2.81Å; S286-T297 PolarHBondContact O-OG1 2.78Å; V295-T297 HydrophobicContact CG1-CG2 3.89Å; T297-V312 HydrophobicContact CG2-CG1 4.47Å; T297-V312 HydrophobicContact CG2-CG2 4.44Å; T297-M328 HydrophobicContact CG2-SD 4.5Å; T297-H335 PolarHBondContact O-CE1 2.77Å; T297-H335 PolarHBondContact O-NE2 3.36Å; T297-H335 PolarHBondContact OG1-NE2 3.29Å; T297-V346 HydrophobicContact CG2-CG2 3.95Å; T297-W370 HydrophobicContact CG2-CH2 4.32Å; T297-W370 HydrophobicContact CG2-CZ2 4.49Å
298G97.8Very high94.3Very high1 Ų144.6 Ų44.61%0.0123%0.234CC..  trans57.1-146.6173.900000114.6Y285 V309 W311Y285-G298 WeakPolarHBondContact CB-O 3.38Å; G298-V309 VanDerWaalsContact CA-O 3.25Å; G298-V309 WeakPolarHBondContact CA-O 3.25Å; G298-W311 PolarHBondContact N-O 3.4Å
299G97.3Very high94.4Very high0 Ų044.6 Ų44.60%023%0.233CC..  trans122.8175.5177.900000113.2T283 S308 V309 R332 H333T283-G299 CarbonylContact O-C 3.54Å; T283-G299 VanDerWaalsContact O-CA 3.29Å; T283-G299 WeakPolarHBondContact O-CA 3.42Å; G299-S308 WeakPolarHBondContact O-CA 3.33Å; G299-V309 WeakPolarHBondContact O-CG2 3.42Å; G299-V309 PolarHBondContact O-N 2.96Å; G299-R332 PolarHBondContact N-O 3.35Å; G299-H333 VanDerWaalsContact C-CB 3.47Å
300Y96.5Very high94.6Very high63 Ų6345.8 Ų45.825%0.24724%0.236CC..EExtended strand (participates in β ladder)trans-106.2116.6177.6-156.5-141.4000108.3T283 W306 F307 H333T283-Y300 PolarHBondContact N-O 2.93Å; T283-Y300 PolarHBondContact O-N 2.91Å; Y300-W306 HydrophobicContact CD1-CB 3.98Å; Y300-W306 AromaticContact CD1-CD2 3.83Å; Y300-W306 HydrophobicContact CD1-CD2 3.83Å; Y300-W306 AromaticContact CD1-CE3 3.31Å; Y300-W306 HydrophobicContact CD1-CE3 3.31Å; Y300-W306 HydrophobicContact CD1-CG 4.17Å; Y300-W306 HydrophobicContact CD1-CZ3 4.03Å; Y300-W306 HydrophobicContact CD2-CB 4.37Å; Y300-W306 HydrophobicContact CE1-CB 3.3Å; Y300-W306 AromaticContact CE1-CD2 3.79Å; Y300-W306 HydrophobicContact CE1-CD2 3.79Å; Y300-W306 AromaticContact CE1-CE3 3.78Å; Y300-W306 HydrophobicContact CE1-CE3 3.78Å; Y300-W306 AromaticContact CE1-CG 3.66Å; Y300-W306 HydrophobicContact CE1-CG 3.66Å; Y300-W306 HydrophobicContact CE2-CB 3.73Å; Y300-W306 HydrophobicContact CG-CB 4.47Å; Y300-W306 AromaticContact CG-CE3 3.85Å; Y300-W306 HydrophobicContact CG-CE3 3.85Å; Y300-W306 VanDerWaalsContact OH-CB 3.25Å; Y300-W306 WeakPolarHBondContact OH-CB 3.16Å; Y300-F307 VanDerWaalsContact CD2-C 3.43Å; Y300-F307 WeakPolarHBondContact CD2-O 3.47Å; Y300-H333 AromaticContact CD2-ND1 3.85Å
301F96.5Very high94.9Very high38 Ų3848.9 Ų48.917%0.16725%0.248CC..EExtended strand (participates in β ladder)trans-109.7138.2-173.6176.8-102.4000110.5K280 N281 L282 D303 W306 F307 V309 W311K280-F301 WeakPolarHBondContact O-CE2 3.38Å; N281-F301 HydrophobicContact CB-CD2 4.24Å; N281-F301 HydrophobicContact CB-CE2 4.07Å; N281-F301 WeakPolarHBondContact O-CA 3.39Å; L282-F301 HydrophobicContact CB-CD2 4.44Å; L282-F301 HydrophobicContact CD1-CB 4.08Å; F301-D303 HydrophobicContact CE1-CB 3.86Å; F301-W306 WeakPolarHBondContact O-CA 3.5Å; F301-F307 AromaticContact CD1-CE1 3.76Å; F301-F307 HydrophobicContact CD1-CE1 3.76Å; F301-F307 HydrophobicContact CD1-CE2 4.02Å; F301-F307 AromaticContact CD1-CZ 3.41Å; F301-F307 HydrophobicContact CD1-CZ 3.41Å; F301-F307 VanDerWaalsContact CD1-CZ 3.41Å; F301-F307 HydrophobicContact CE1-CE1 4.3Å; F301-F307 AromaticContact CE1-CZ 3.93Å; F301-F307 HydrophobicContact CE1-CZ 3.93Å; F301-F307 PolarHBondContact N-O 2.9Å; F301-F307 PolarHBondContact O-N 2.57Å; F301-V309 HydrophobicContact CB-CG1 3.7Å; F301-V309 HydrophobicContact CG-CG1 4.46Å; F301-W311 HydrophobicContact CD1-CH2 4.09Å; F301-W311 AromaticContact CD2-CH2 3.95Å; F301-W311 HydrophobicContact CD2-CH2 3.95Å; F301-W311 AromaticContact CD2-CZ3 3.82Å; F301-W311 HydrophobicContact CD2-CZ3 3.82Å; F301-W311 HydrophobicContact CE1-CH2 4.13Å; F301-W311 HydrophobicContact CE2-CH2 4.02Å; F301-W311 HydrophobicContact CE2-CZ3 4.1Å; F301-W311 AromaticContact CG-CH2 3.97Å; F301-W311 HydrophobicContact CG-CH2 3.97Å; F301-W311 HydrophobicContact CG-CZ3 4.13Å; F301-W311 HydrophobicContact CZ-CH2 4.12Å
302R94.3Very high95.4Very high119 Ų11946.7 Ų46.745%0.44922%0.224SC..EExtended strand (participates in β ladder)trans-108.7111.7176.1-168.1-172.5-176.7174.9-1111.4N281 W306N281-R302 HydrophobicContact CB-CB 3.99Å; N281-R302 WeakPolarHBondContact CB-O 3.41Å; N281-R302 PolarHBondContact ND2-O 3.04Å; N281-R302 PolarHBondContact O-N 3.23Å; R302-W306 HydrophobicContact CB-CD2 3.73Å; R302-W306 HydrophobicContact CB-CE3 3.68Å; R302-W306 HydrophobicContact CB-CG 4.42Å; R302-W306 HydrophobicContact CB-CH2 3.9Å; R302-W306 HydrophobicContact CB-CZ2 3.97Å; R302-W306 HydrophobicContact CB-CZ3 3.74Å; R302-W306 HydrophobicContact CG-CD2 3.98Å; R302-W306 HydrophobicContact CG-CE3 4.44Å; R302-W306 HydrophobicContact CG-CG 4.33Å; R302-W306 HydrophobicContact CG-CZ2 4.15Å
303D88.1Confident95.8Very high115 Ų11546.1 Ų46.162%0.61522%0.218SC*.SBendtrans-98.5-95.9160.5-172.412.8000109F301 L305 F307F301-D303 HydrophobicContact CE1-CB 3.86Å; D303-L305 PolarHBondContact N-O 3.11Å; D303-F307 HydrophobicContact CB-CE1 4.14Å
304V90.4Very high96Very high125 Ų12545.5 Ų45.576%0.75821%0.214SC*.SBendtrans-90-48.5167.6-179.10000110.7
305L93Very high96Very high135 Ų13545.5 Ų45.571%0.70721%0.214SC*.SBendtrans-108.2164.1171.9-64.9174.6000109.3D303D303-L305 PolarHBondContact N-O 3.11Å
306W95.2Very high95.8Very high86 Ų8647.7 Ų47.733%0.32623%0.225SC..EExtended strand (participates in β ladder)trans-87138.7170.5-66.892.3000110.2H254 T283 Y300 F301 R302H254-W306 AromaticContact CD2-CH2 3.95Å; H254-W306 AromaticContact NE2-CH2 3.83Å; T283-W306 HydrophobicContact CG2-CH2 4.06Å; T283-W306 HydrophobicContact CG2-CZ3 3.62Å; Y300-W306 HydrophobicContact CD1-CB 3.98Å; Y300-W306 AromaticContact CD1-CD2 3.83Å; Y300-W306 HydrophobicContact CD1-CD2 3.83Å; Y300-W306 AromaticContact CD1-CE3 3.31Å; Y300-W306 HydrophobicContact CD1-CE3 3.31Å; Y300-W306 HydrophobicContact CD1-CG 4.17Å; Y300-W306 HydrophobicContact CD1-CZ3 4.03Å; Y300-W306 HydrophobicContact CD2-CB 4.37Å; Y300-W306 HydrophobicContact CE1-CB 3.3Å; Y300-W306 AromaticContact CE1-CD2 3.79Å; Y300-W306 HydrophobicContact CE1-CD2 3.79Å; Y300-W306 AromaticContact CE1-CE3 3.78Å; Y300-W306 HydrophobicContact CE1-CE3 3.78Å; Y300-W306 AromaticContact CE1-CG 3.66Å; Y300-W306 HydrophobicContact CE1-CG 3.66Å; Y300-W306 HydrophobicContact CE2-CB 3.73Å; Y300-W306 HydrophobicContact CG-CB 4.47Å; Y300-W306 AromaticContact CG-CE3 3.85Å; Y300-W306 HydrophobicContact CG-CE3 3.85Å; Y300-W306 VanDerWaalsContact OH-CB 3.25Å; Y300-W306 WeakPolarHBondContact OH-CB 3.16Å; F301-W306 WeakPolarHBondContact O-CA 3.5Å; R302-W306 HydrophobicContact CB-CD2 3.73Å; R302-W306 HydrophobicContact CB-CE3 3.68Å; R302-W306 HydrophobicContact CB-CG 4.42Å; R302-W306 HydrophobicContact CB-CH2 3.9Å; R302-W306 HydrophobicContact CB-CZ2 3.97Å; R302-W306 HydrophobicContact CB-CZ3 3.74Å; R302-W306 HydrophobicContact CG-CD2 3.98Å; R302-W306 HydrophobicContact CG-CE3 4.44Å; R302-W306 HydrophobicContact CG-CG 4.33Å; R302-W306 HydrophobicContact CG-CZ2 4.15Å
307F96.7Very high95.4Very high72 Ų7248.1 Ų48.132%0.31623%0.228SC..EExtended strand (participates in β ladder)trans-152.9155.3176.658.3-87.7000111Y300 F301 D303 V309 D352Y300-F307 VanDerWaalsContact CD2-C 3.43Å; Y300-F307 WeakPolarHBondContact CD2-O 3.47Å; F301-F307 AromaticContact CD1-CE1 3.76Å; F301-F307 HydrophobicContact CD1-CE1 3.76Å; F301-F307 HydrophobicContact CD1-CE2 4.02Å; F301-F307 AromaticContact CD1-CZ 3.41Å; F301-F307 HydrophobicContact CD1-CZ 3.41Å; F301-F307 VanDerWaalsContact CD1-CZ 3.41Å; F301-F307 HydrophobicContact CE1-CE1 4.3Å; F301-F307 AromaticContact CE1-CZ 3.93Å; F301-F307 HydrophobicContact CE1-CZ 3.93Å; F301-F307 PolarHBondContact N-O 2.9Å; F301-F307 PolarHBondContact O-N 2.57Å; D303-F307 HydrophobicContact CB-CE1 4.14Å; F307-V309 HydrophobicContact CD2-CG1 3.97Å; F307-V309 HydrophobicContact CE2-CG1 3.74Å; F307-D352 WeakPolarHBondContact CB-OD2 3.4Å
308S97.7Very high94.8Very high5 Ų551.7 Ų51.74%0.03526%0.264CS..EExtended strand (participates in β ladder)trans-75.7143178.2-56.80000110.5G299 S331 H333 D352G299-S308 WeakPolarHBondContact O-CA 3.33Å; S308-S331 WeakPolarHBondContact O-CB 3.29Å; S308-H333 PolarHBondContact OG-ND1 3.18Å; S308-D352 VanDerWaalsContact CB-OD1 3.28Å; S308-D352 WeakPolarHBondContact CB-OD1 3.28Å; S308-D352 PolarHBondContact N-OD1 3.16Å; S308-D352 PolarHBondContact N-OD2 2.93Å; S308-D352 PolarHBondContact OG-OD1 3.43Å
309V97.8Very high94.3Very high2 Ų256.3 Ų56.31%0.01229%0.289CS..  trans-119.8156.2177.3-61.90000112.3L282 G298 G299 F301 F307 W311 S331 R332L282-V309 HydrophobicContact CD1-CG2 3.76Å; G298-V309 VanDerWaalsContact CA-O 3.25Å; G298-V309 WeakPolarHBondContact CA-O 3.25Å; G299-V309 WeakPolarHBondContact O-CG2 3.42Å; G299-V309 PolarHBondContact O-N 2.96Å; F301-V309 HydrophobicContact CB-CG1 3.7Å; F301-V309 HydrophobicContact CG-CG1 4.46Å; F307-V309 HydrophobicContact CD2-CG1 3.97Å; F307-V309 HydrophobicContact CE2-CG1 3.74Å; V309-W311 HydrophobicContact CB-CD2 3.93Å; V309-W311 HydrophobicContact CB-CE3 4.37Å; V309-W311 HydrophobicContact CB-CG 4.03Å; V309-W311 HydrophobicContact CG1-CD2 4.19Å; V309-W311 HydrophobicContact CG1-CE3 4.43Å; V309-W311 HydrophobicContact CG1-CH2 4.29Å; V309-W311 HydrophobicContact CG1-CZ2 4.04Å; V309-W311 HydrophobicContact CG1-CZ3 4.47Å; V309-W311 HydrophobicContact CG2-CB 4.3Å; V309-W311 HydrophobicContact CG2-CD2 3.99Å; V309-W311 HydrophobicContact CG2-CE3 4.02Å; V309-W311 HydrophobicContact CG2-CG 4.13Å; V309-S331 WeakPolarHBondContact O-CA 3.49Å; V309-R332 PolarHBondContact O-N 3.39Å; V309-R332 VanDerWaalsContact O-N 3.14Å
310D97.7Very high94Very high49 Ų4960.8 Ų60.826%0.26231%0.309SS..  trans-1009.4177.959.9-7.7000112.6A327 M328 S331D310-A327 HydrophobicContact CB-CB 4.47Å; D310-A327 WeakPolarHBondContact O-CA 3.42Å; D310-M328 HydrophobicContact CB-CB 4.17Å; D310-M328 PolarHBondContact O-N 3.33Å; D310-S331 PolarHBondContact N-OG 2.88Å
311W97.8Very high93.9Very high71 Ų7163.5 Ų63.527%0.26932%0.319SS..  trans-67.9144.1-170-60.3-12.5000112.8G298 F301 V309G298-W311 PolarHBondContact N-O 3.4Å; F301-W311 HydrophobicContact CD1-CH2 4.09Å; F301-W311 AromaticContact CD2-CH2 3.95Å; F301-W311 HydrophobicContact CD2-CH2 3.95Å; F301-W311 AromaticContact CD2-CZ3 3.82Å; F301-W311 HydrophobicContact CD2-CZ3 3.82Å; F301-W311 HydrophobicContact CE1-CH2 4.13Å; F301-W311 HydrophobicContact CE2-CH2 4.02Å; F301-W311 HydrophobicContact CE2-CZ3 4.1Å; F301-W311 AromaticContact CG-CH2 3.97Å; F301-W311 HydrophobicContact CG-CH2 3.97Å; F301-W311 HydrophobicContact CG-CZ3 4.13Å; F301-W311 HydrophobicContact CZ-CH2 4.12Å; V309-W311 HydrophobicContact CB-CD2 3.93Å; V309-W311 HydrophobicContact CB-CE3 4.37Å; V309-W311 HydrophobicContact CB-CG 4.03Å; V309-W311 HydrophobicContact CG1-CD2 4.19Å; V309-W311 HydrophobicContact CG1-CE3 4.43Å; V309-W311 HydrophobicContact CG1-CH2 4.29Å; V309-W311 HydrophobicContact CG1-CZ2 4.04Å; V309-W311 HydrophobicContact CG1-CZ3 4.47Å; V309-W311 HydrophobicContact CG2-CB 4.3Å; V309-W311 HydrophobicContact CG2-CD2 3.99Å; V309-W311 HydrophobicContact CG2-CE3 4.02Å; V309-W311 HydrophobicContact CG2-CG 4.13Å
312V97.6Very high93.9Very high3 Ų363.8 Ų63.82%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-127.2132.2175.1-176.40000109.8V295 V296 T297 I314 G325 P326 M328 W370V295-V312 HydrophobicContact CG1-CG1 3.79Å; V296-V312 WeakPolarHBondContact O-CA 3.43Å; T297-V312 HydrophobicContact CG2-CG1 4.47Å; T297-V312 HydrophobicContact CG2-CG2 4.44Å; V312-I314 HydrophobicContact CG1-CG1 4.25Å; V312-G325 PolarHBondContact O-N 3.47Å; V312-P326 WeakPolarHBondContact CB-O 3.45Å; V312-P326 WeakPolarHBondContact CG2-O 3.49Å; V312-M328 HydrophobicContact CG2-CG 3.76Å; V312-W370 HydrophobicContact CG2-CZ2 3.81Å
313R97.1Very high93.9Very high44 Ų4461 Ų6117%0.16631%0.313CS..EExtended strand (participates in β ladder)trans-127.4129177.3-74.2-72.7-170.1-108.430.8109.2L277 R279 V295 V296 W322 L323 D324L277-R313 HydrophobicContact CD1-CB 3.97Å; L277-R313 HydrophobicContact CD1-CG 3.94Å; R279-R313 VanDerWaalsContact CZ-CZ 3.47Å; R279-R313 VanDerWaalsContact CZ-NH2 3.34Å; V295-R313 WeakPolarHBondContact CA-O 3.43Å; V296-R313 HydrophobicContact CB-CB 4.25Å; V296-R313 PolarHBondContact N-O 2.71Å; V296-R313 PolarHBondContact O-N 2.78Å; R313-W322 HydrophobicContact CB-CE3 3.85Å; R313-W322 HydrophobicContact CB-CZ3 3.96Å; R313-L323 WeakPolarHBondContact CA-O 3.35Å; R313-D324 IonicContact CZ-OD1 2.75Å; R313-D324 IonicContact CZ-OD2 3.22Å; R313-D324 VanDerWaalsContact CZ-OD2 3.22Å; R313-D324 IonicContact NE-OD1 3.4Å; R313-D324 PolarHBondContact NE-OD1 3.39Å; R313-D324 IonicContact NH1-OD1 2.86Å; R313-D324 PolarHBondContact NH1-OD1 3.03Å; R313-D324 IonicContact NH1-OD2 2.87Å; R313-D324 PolarHBondContact NH1-OD2 3.02Å; R313-D324 VanDerWaalsContact NH2-CG 3.26Å; R313-D324 IonicContact NH2-OD1 2.85Å; R313-D324 PolarHBondContact NH2-OD1 2.94Å; R313-D324 IonicContact NH2-OD2 2.89Å; R313-D324 PolarHBondContact NH2-OD2 3.29Å
314I96.4Very high94.3Very high23 Ų2360.9 Ų60.912%0.11831%0.312CS..EExtended strand (participates in β ladder)trans-117.8118-175-56.7175.3000108N293 V294 V295 V312 W322 L323 L364N293-I314 HydrophobicContact CB-CG2 3.83Å; V294-I314 CarbonylContact O-C 3.55Å; V294-I314 WeakPolarHBondContact O-CA 3.31Å; V295-I314 HydrophobicContact CG1-CG1 4.32Å; V295-I314 HydrophobicContact CG2-CG1 4.4Å; V295-I314 HydrophobicContact CG2-CG2 4.49Å; V312-I314 HydrophobicContact CG1-CG1 4.25Å; I314-W322 CarbonylContact O-C 3.55Å; I314-W322 WeakPolarHBondContact O-CA 3.04Å; I314-L323 PolarHBondContact N-O 2.6Å; I314-L323 PolarHBondContact O-N 3.25Å; I314-L364 HydrophobicContact CD1-CD2 4.06Å
315Y96.3Very high94.5Very high0 Ų055.8 Ų55.80%029%0.285CS..EExtended strand (participates in β ladder)trans-91.1111.8171-176.2-106.7000109.3Y248 L261 C274 N293 V294 C317 Q320 R321 W322Y248-Y315 HydrophobicContact CE1-CD1 4.46Å; Y248-Y315 AromaticContact CE1-CE1 4Å; Y248-Y315 HydrophobicContact CE1-CE1 4Å; L261-Y315 HydrophobicContact CD2-CD1 3.59Å; L261-Y315 HydrophobicContact CD2-CD2 3.99Å; L261-Y315 HydrophobicContact CD2-CE1 3.68Å; L261-Y315 HydrophobicContact CD2-CE2 4.09Å; L261-Y315 HydrophobicContact CD2-CG 3.74Å; C274-Y315 HydrophobicContact CB-CE1 4.33Å; C274-Y315 HydrophobicContact CB-CE2 4.49Å; C274-Y315 WeakPolarHBondContact CB-OH 3.49Å; N293-Y315 VanDerWaalsContact CA-O 3.32Å; N293-Y315 WeakPolarHBondContact CA-O 3.48Å; V294-Y315 HydrophobicContact CG2-CD1 4.38Å; V294-Y315 PolarHBondContact N-O 2.9Å; V294-Y315 PolarHBondContact O-N 3.31Å; Y315-C317 VanDerWaalsContact CD1-SG 3.57Å; Y315-C317 PolarHBondContact O-N 2.86Å; Y315-Q320 VanDerWaalsContact CE2-C 3.46Å; Y315-Q320 VanDerWaalsContact OH-CA 3.24Å; Y315-Q320 WeakPolarHBondContact OH-CA 3.22Å; Y315-Q320 WeakPolarHBondContact OH-CB 3.42Å; Y315-R321 WeakPolarHBondContact CA-O 3.47Å; Y315-W322 AromaticContact CD2-CD1 3.75Å; Y315-W322 AromaticContact CD2-CD2 3.9Å; Y315-W322 HydrophobicContact CD2-CD2 3.9Å; Y315-W322 AromaticContact CD2-CE2 3.68Å; Y315-W322 AromaticContact CD2-CG 3.97Å; Y315-W322 HydrophobicContact CD2-CG 3.97Å; Y315-W322 HydrophobicContact CD2-CZ2 4.28Å; Y315-W322 AromaticContact CD2-NE1 3.53Å; Y315-W322 HydrophobicContact CG-CD2 4.33Å; Y315-W322 HydrophobicContact CG-CZ2 4.3Å
316E92.6Very high94.6Very high47 Ų4752.3 Ų52.322%0.2227%0.27CS..EExtended strand (participates in β ladder)trans-79.8109.9173.9-67.1-174.1126.300109.5N293 G318 N319 Q320 R321 L323N293-E316 WeakPolarHBondContact OD1-CA 3.32Å; E316-G318 VanDerWaalsContact C-N 3.34Å; E316-G318 PolarHBondContact O-N 3.08Å; E316-N319 HydrophobicContact CB-CB 4.17Å; E316-N319 PolarHBondContact O-N 3.32Å; E316-N319 PolarHBondContact OE2-ND2 3.22Å; E316-Q320 WeakPolarHBondContact O-CA 2.9Å; E316-Q320 PolarHBondContact O-N 3.29Å; E316-R321 PolarHBondContact N-O 3.27Å; E316-R321 PolarHBondContact O-N 2.92Å; E316-R321 IonicContact OE2-CZ 2.68Å; E316-R321 IonicContact OE2-NE 2.93Å; E316-R321 PolarHBondContact OE2-NE 3.17Å; E316-R321 IonicContact OE2-NH2 2.65Å; E316-R321 PolarHBondContact OE2-NH2 2.77Å; E316-L323 HydrophobicContact CG-CD1 3.76Å; E316-L323 HydrophobicContact CG-CG 4.3Å; E316-L323 WeakPolarHBondContact OE2-CD1 3.44Å
317C89Confident94.7Very high13 Ų1350.9 Ų50.99%0.08828%0.277CS..THydrogen-bonded Turntrans-67.7-34-175.7-73.30000113.6Y248 D292 Y315 N319 Q320 M524Y248-C317 PolarHBondContact OH-SG 3.07Å; D292-C317 WeakPolarHBondContact O-CB 3.39Å; D292-C317 PolarHBondContact O-N 2.84Å; Y315-C317 VanDerWaalsContact CD1-SG 3.57Å; Y315-C317 PolarHBondContact O-N 2.86Å; C317-N319 VanDerWaalsContact C-N 3.32Å; C317-N319 PolarHBondContact O-N 3.09Å; C317-Q320 WeakPolarHBondContact O-CG 3.48Å; C317-Q320 PolarHBondContact O-N 3.1Å; C317-M524 HydrophobicContact CB-SD 3.96Å; C317-M524 WeakPolarHBondContact SG-CE 3.17Å; C317-M524 PolarHBondContact SG-SD 2.9Å
318G85.3Confident94.8Very high74 Ų7447.7 Ų47.776%0.76326%0.263SS*.THydrogen-bonded Turntrans-63.7-36.817700000113.2E316E316-G318 VanDerWaalsContact C-N 3.34Å; E316-G318 PolarHBondContact O-N 3.08Å
319N87.7Confident94.7Very high99 Ų9953.1 Ų53.153%0.52929%0.288SS..THydrogen-bonded Turntrans-97.1-7.6-179.2-65.6-32.5000113.2E316 C317 R321E316-N319 HydrophobicContact CB-CB 4.17Å; E316-N319 PolarHBondContact O-N 3.32Å; E316-N319 PolarHBondContact OE2-ND2 3.22Å; C317-N319 VanDerWaalsContact C-N 3.32Å; C317-N319 PolarHBondContact O-N 3.09Å; N319-R321 VanDerWaalsContact C-N 3.3Å; N319-R321 HydrophobicContact CB-CG 3.88Å; N319-R321 PolarHBondContact O-N 3.14Å
320Q89.8Confident94.7Very high93 Ų9356.3 Ų56.344%0.43530%0.302SS..THydrogen-bonded Turntrans49.745.4-175.3-60.8-176.516.100113.5S275 Y315 E316 C317S275-Q320 PolarHBondContact OG-O 2.66Å; Y315-Q320 VanDerWaalsContact CE2-C 3.46Å; Y315-Q320 VanDerWaalsContact OH-CA 3.24Å; Y315-Q320 WeakPolarHBondContact OH-CA 3.22Å; Y315-Q320 WeakPolarHBondContact OH-CB 3.42Å; E316-Q320 WeakPolarHBondContact O-CA 2.9Å; E316-Q320 PolarHBondContact O-N 3.29Å; C317-Q320 WeakPolarHBondContact O-CG 3.48Å; C317-Q320 PolarHBondContact O-N 3.1Å
321R94.1Very high94.7Very high121 Ų12156.1 Ų56.146%0.45730%0.304SS..EExtended strand (participates in β ladder)trans-140.5154-177.470-177.3-180170.31.3112.5Y315 E316 N319 L323Y315-R321 WeakPolarHBondContact CA-O 3.47Å; E316-R321 PolarHBondContact N-O 3.27Å; E316-R321 PolarHBondContact O-N 2.92Å; E316-R321 IonicContact OE2-CZ 2.68Å; E316-R321 IonicContact OE2-NE 2.93Å; E316-R321 PolarHBondContact OE2-NE 3.17Å; E316-R321 IonicContact OE2-NH2 2.65Å; E316-R321 PolarHBondContact OE2-NH2 2.77Å; N319-R321 VanDerWaalsContact C-N 3.3Å; N319-R321 HydrophobicContact CB-CG 3.88Å; N319-R321 PolarHBondContact O-N 3.14Å; R321-L323 HydrophobicContact CG-CD2 4.45Å
322W96.7Very high94.7Very high44 Ų4452.8 Ų52.817%0.16729%0.292CS..EExtended strand (participates in β ladder)trans-88.3139171.5-69.795000111.2L261 S275 P276 L277 V296 R313 I314 Y315L261-W322 HydrophobicContact CD2-CZ2 3.89Å; S275-W322 PolarHBondContact O-NE1 3.38Å; P276-W322 VanDerWaalsContact O-CD1 3.26Å; P276-W322 PolarHBondContact O-NE1 3.03Å; L277-W322 HydrophobicContact CB-CH2 4.42Å; L277-W322 HydrophobicContact CB-CZ2 3.93Å; L277-W322 HydrophobicContact CD1-CD2 4.1Å; L277-W322 HydrophobicContact CD1-CE3 4Å; L277-W322 HydrophobicContact CD1-CH2 4.25Å; L277-W322 HydrophobicContact CD1-CZ2 4.36Å; L277-W322 HydrophobicContact CD1-CZ3 4.07Å; V296-W322 HydrophobicContact CB-CZ3 4.46Å; V296-W322 HydrophobicContact CG2-CH2 3.65Å; V296-W322 HydrophobicContact CG2-CZ3 3.78Å; R313-W322 HydrophobicContact CB-CE3 3.85Å; R313-W322 HydrophobicContact CB-CZ3 3.96Å; I314-W322 CarbonylContact O-C 3.55Å; I314-W322 WeakPolarHBondContact O-CA 3.04Å; Y315-W322 AromaticContact CD2-CD1 3.75Å; Y315-W322 AromaticContact CD2-CD2 3.9Å; Y315-W322 HydrophobicContact CD2-CD2 3.9Å; Y315-W322 AromaticContact CD2-CE2 3.68Å; Y315-W322 AromaticContact CD2-CG 3.97Å; Y315-W322 HydrophobicContact CD2-CG 3.97Å; Y315-W322 HydrophobicContact CD2-CZ2 4.28Å; Y315-W322 AromaticContact CD2-NE1 3.53Å; Y315-W322 HydrophobicContact CG-CD2 4.33Å; Y315-W322 HydrophobicContact CG-CZ2 4.3Å
323L95.8Very high94.7Very high60 Ų6053.6 Ų53.631%0.31430%0.295SS..EExtended strand (participates in β ladder)trans-125.2159.5173.8-62.5-176.1000110.4R313 I314 E316 R321R313-L323 WeakPolarHBondContact CA-O 3.35Å; I314-L323 PolarHBondContact N-O 2.6Å; I314-L323 PolarHBondContact O-N 3.25Å; E316-L323 HydrophobicContact CG-CD1 3.76Å; E316-L323 HydrophobicContact CG-CG 4.3Å; E316-L323 WeakPolarHBondContact OE2-CD1 3.44Å; R321-L323 HydrophobicContact CG-CD2 4.45Å
324D95.5Very high94.6Very high113 Ų11352.1 Ų52.160%0.60429%0.291SS*.EExtended strand (participates in β ladder)trans-86.4123.8174.3-70.720.2000108.3R313R313-D324 IonicContact CZ-OD1 2.75Å; R313-D324 IonicContact CZ-OD2 3.22Å; R313-D324 VanDerWaalsContact CZ-OD2 3.22Å; R313-D324 IonicContact NE-OD1 3.4Å; R313-D324 PolarHBondContact NE-OD1 3.39Å; R313-D324 IonicContact NH1-OD1 2.86Å; R313-D324 PolarHBondContact NH1-OD1 3.03Å; R313-D324 IonicContact NH1-OD2 2.87Å; R313-D324 PolarHBondContact NH1-OD2 3.02Å; R313-D324 VanDerWaalsContact NH2-CG 3.26Å; R313-D324 IonicContact NH2-OD1 2.85Å; R313-D324 PolarHBondContact NH2-OD1 2.94Å; R313-D324 IonicContact NH2-OD2 2.89Å; R313-D324 PolarHBondContact NH2-OD2 3.29Å
325G94.7Very high94.7Very high18 Ų1851.4 Ų51.419%0.18629%0.288CS..PPolyproline II helixtrans-90.3168.117300000111.8V312 A327V312-G325 PolarHBondContact O-N 3.47Å; G325-A327 PolarHBondContact O-N 3.12Å
326P95.8Very high94.7Very high61 Ų6151.9 Ų51.940%0.39629%0.291SS..PPolyproline II helixtrans-61.2135.9170.327.6-33.3000109.8V312 L362 W370V312-P326 WeakPolarHBondContact CB-O 3.45Å; V312-P326 WeakPolarHBondContact CG2-O 3.49Å; P326-L362 HydrophobicContact CG-CD1 3.9Å; P326-L362 HydrophobicContact CG-CD2 3.63Å; P326-L362 HydrophobicContact CG-CG 4.44Å; P326-W370 PolarHBondContact O-NE1 2.67Å
327A97.2Very high94.9Very high56 Ų5650 Ų5046%0.46328%0.283SS..PPolyproline II helixtrans-65.4144.2177.900000111.2D310 G325 W370D310-A327 HydrophobicContact CB-CB 4.47Å; D310-A327 WeakPolarHBondContact O-CA 3.42Å; G325-A327 PolarHBondContact O-N 3.12Å; A327-W370 PolarHBondContact O-NE1 2.84Å
328M97.8Very high95.3Very high6 Ų650.4 Ų50.43%0.0328%0.284CS..PPolyproline II helixtrans-62.9160.4175.2-58.8-175.9-5900110.7T297 D310 V312 K330 R332 V346 W370T297-M328 HydrophobicContact CG2-SD 4.5Å; D310-M328 HydrophobicContact CB-CB 4.17Å; D310-M328 PolarHBondContact O-N 3.33Å; V312-M328 HydrophobicContact CG2-CG 3.76Å; M328-K330 VanDerWaalsContact C-N 3.34Å; M328-R332 HydrophobicContact CE-CG 3.91Å; M328-V346 HydrophobicContact SD-CB 4.4Å; M328-V346 HydrophobicContact SD-CG1 3.91Å; M328-V346 HydrophobicContact SD-CG2 3.9Å; M328-W370 HydrophobicContact CG-CD2 4.36Å; M328-W370 HydrophobicContact CG-CH2 4.37Å; M328-W370 HydrophobicContact CG-CZ2 3.9Å
329Q97Very high95.8Very high118 Ų11847.9 Ų47.955%0.55126%0.258SS*.SBendtrans-71.4-32.9175.1-56.8-173.812.800111.9E360 W370Q329-E360 VanDerWaalsContact CB-OE2 3.3Å; Q329-E360 WeakPolarHBondContact CB-OE2 3.44Å; Q329-E360 WeakPolarHBondContact CG-OE2 3.44Å; Q329-E360 PolarHBondContact N-OE2 2.95Å; Q329-W370 HydrophobicContact CG-CB 4.02Å; Q329-W370 PolarHBondContact NE2-O 3.23Å
330K96.5Very high96Very high70 Ų7044.1 Ų44.130%0.30424%0.238SC..SBendtrans-124.3126.9179.2-63.5179.7170.2-176.90111.6M328 R332 M351 D358 E360M328-K330 VanDerWaalsContact C-N 3.34Å; K330-R332 PolarHBondContact O-N 3.36Å; K330-M351 HydrophobicContact CB-SD 3.94Å; K330-M351 HydrophobicContact CD-SD 3.95Å; K330-M351 HydrophobicContact CG-SD 4.24Å; K330-D358 HydrophobicContact CD-CB 4.17Å; K330-D358 IonicContact NZ-OD1 3.63Å; K330-D358 PolarHBondContact NZ-OD1 3.35Å; K330-D358 IonicContact NZ-OD2 3.68Å; K330-D358 PolarHBondContact NZ-OD2 3.07Å; K330-E360 WeakPolarHBondContact CB-OE1 3.47Å; K330-E360 PolarHBondContact N-OE1 2.85Å
331S97.8Very high95.9Very high45 Ų4545.8 Ų45.832%0.31525%0.25SC..  trans-65.9126.4169.7-66.30000110.8S308 V309 D310 M351S308-S331 WeakPolarHBondContact O-CB 3.29Å; V309-S331 WeakPolarHBondContact O-CA 3.49Å; D310-S331 PolarHBondContact N-OG 2.88Å; S331-M351 WeakPolarHBondContact O-CG 3.48Å
332R97.7Very high95.6Very high0 Ų042.6 Ų42.60%025%0.246CC..  trans-154.9157.5-176.361-179.786.3-162.77.6113G299 V309 M328 K330 H335 V346 G348 S350 M351 D358 E360G299-R332 PolarHBondContact N-O 3.35Å; V309-R332 PolarHBondContact O-N 3.39Å; V309-R332 VanDerWaalsContact O-N 3.14Å; M328-R332 HydrophobicContact CE-CG 3.91Å; K330-R332 PolarHBondContact O-N 3.36Å; R332-H335 HydrophobicContact CG-CB 4.32Å; R332-V346 HydrophobicContact CG-CG1 4.49Å; R332-G348 WeakPolarHBondContact CD-O 3.23Å; R332-G348 PolarHBondContact NH1-O 2.96Å; R332-S350 CarbonylContact C-O 3.58Å; R332-S350 VanDerWaalsContact CA-O 3.25Å; R332-S350 WeakPolarHBondContact CA-O 3.43Å; R332-M351 HydrophobicContact CB-CG 4.43Å; R332-D358 PolarHBondContact NH1-O 2.86Å; R332-E360 IonicContact CZ-OE1 3.41Å; R332-E360 IonicContact NE-OE1 2.75Å; R332-E360 IonicContact NH2-OE1 3.38Å; R332-E360 PolarHBondContact NH2-OE1 3.14Å
333H97.5Very high95.5Very high21 Ų2140.6 Ų40.610%0.09724%0.239CC..BIsolated β-bridgetrans-135.9168173.970.6-80.9000110.7Q284 G299 Y300 S308 H335 S350Q284-H333 HydrophobicContact CB-CB 4.13Å; G299-H333 VanDerWaalsContact C-CB 3.47Å; Y300-H333 AromaticContact CD2-ND1 3.85Å; S308-H333 PolarHBondContact OG-ND1 3.18Å; H333-H335 PolarHBondContact O-N 3.13Å; H333-S350 PolarHBondContact N-O 3.05Å; H333-S350 PolarHBondContact ND1-O 2.98Å; H333-S350 VanDerWaalsContact ND1-O 3.08Å; H333-S350 PolarHBondContact O-N 3.22Å
334S96.7Very high95.6Very high12 Ų1237.8 Ų37.88%0.08422%0.224CC..SBendtrans55.718.5-178.3-58.50000114.3Q284 R382Q284-S334 PolarHBondContact NE2-OG 3.08Å; Q284-S334 PolarHBondContact O-N 2.8Å; S334-R382 PolarHBondContact O-N 2.74Å
335H97.7Very high95.7Very high9 Ų932.6 Ų32.64%0.04220%0.196CC..  trans-83166.3175.363.3-79.1000111.2S286 T297 R332 H333 G348S286-H335 WeakPolarHBondContact CB-NE2 3.42Å; S286-H335 WeakPolarHBondContact CB-O 3.28Å; S286-H335 PolarHBondContact OG-O 2.98Å; S286-H335 VanDerWaalsContact OG-O 3.13Å; T297-H335 PolarHBondContact O-CE1 2.77Å; T297-H335 PolarHBondContact O-NE2 3.36Å; T297-H335 PolarHBondContact OG1-NE2 3.29Å; R332-H335 HydrophobicContact CG-CB 4.32Å; H333-H335 PolarHBondContact O-N 3.13Å; H335-G348 VanDerWaalsContact CB-O 3.27Å; H335-G348 WeakPolarHBondContact CB-O 3.21Å
336C96.8Very high95.9Very high9 Ų931.8 Ų31.86%0.06119%0.187CC..EExtended strand (participates in β ladder)trans-97.8143.6170.2-570000109.8L347 A383 T385C336-L347 HydrophobicContact CB-CB 4.27Å; C336-L347 HydrophobicContact CB-CD1 4.46Å; C336-L347 PolarHBondContact N-O 2.91Å; C336-L347 PolarHBondContact O-N 3.01Å; C336-A383 PolarHBondContact SG-O 3.2Å; C336-T385 HydrophobicContact CB-CG2 3.34Å; C336-T385 WeakPolarHBondContact CB-OG1 3.43Å
337S97Very high96Very high7 Ų729 Ų295%0.04917%0.169CC..EExtended strand (participates in β ladder)trans-127.3145.2165.367.30000110.3S286 V287 Y345S286-S337 VanDerWaalsContact CB-OG 3.31Å; S286-S337 WeakPolarHBondContact CB-OG 3.49Å; S286-S337 PolarHBondContact OG-N 3.4Å; S286-S337 PolarHBondContact OG-OG 3.24Å; V287-S337 PolarHBondContact N-OG 3.47Å; S337-Y345 CarbonylContact C-O 3.55Å; S337-Y345 WeakPolarHBondContact CA-O 3.44Å; S337-Y345 WeakPolarHBondContact CB-O 3.17Å
338I96.3Very high96Very high23 Ų2326.3 Ų26.312%0.11815%0.147CC..EExtended strand (participates in β ladder)trans-147.4143.2179.2-165.4160.6000110.8Y345 L347 A387 I392I338-Y345 PolarHBondContact N-O 2.91Å; I338-Y345 PolarHBondContact O-N 2.93Å; I338-L347 HydrophobicContact CG2-CD1 3.88Å; I338-A387 HydrophobicContact CD1-CB 3.68Å; I338-A387 VanDerWaalsContact CD1-N 3.31Å; I338-A387 HydrophobicContact CG1-CB 4.32Å; I338-I392 HydrophobicContact CG2-CD1 3.92Å; I338-I392 HydrophobicContact CG2-CG1 4.23Å; I338-I392 HydrophobicContact CG2-CG2 3.76Å
339G95Very high96Very high21 Ų2126 Ų2622%0.21615%0.145CC..EExtended strand (participates in β ladder)trans-88.8133.1170.500000111.6A289A289-G339 WeakPolarHBondContact O-CA 2.97Å
340L93.4Very high96Very high20 Ų2020.7 Ų20.711%0.10512%0.121CC..EExtended strand (participates in β ladder)trans-141.8120.7170.9-179.658.1000109.2S342 A343 Y345 A387 G389 I392 V413L340-S342 PolarHBondContact O-N 2.89Å; L340-A343 PolarHBondContact N-O 2.85Å; L340-A343 PolarHBondContact O-N 3.32Å; L340-Y345 HydrophobicContact CB-CD2 4.28Å; L340-Y345 HydrophobicContact CB-CE2 4.02Å; L340-A387 HydrophobicContact CD1-CB 4.24Å; L340-G389 WeakPolarHBondContact CD1-O 3.31Å; L340-I392 HydrophobicContact CB-CD1 4.41Å; L340-I392 HydrophobicContact CB-CG1 4.49Å; L340-I392 HydrophobicContact CD2-CD1 4.04Å; L340-I392 HydrophobicContact CD2-CG1 3.6Å; L340-V413 HydrophobicContact CD2-CG2 3.64Å
341D86.6Confident96Very high128 Ų12819.2 Ų19.268%0.68412%0.116SC*.THydrogen-bonded Turntrans56.5-120.1-169.9-178.255.6000111.4
342S88.7Confident95.9Very high54 Ų5421.3 Ų21.338%0.37812%0.123SC..THydrogen-bonded Turntrans-97.76.2-179.153.20000113.4L340 L364L340-S342 PolarHBondContact O-N 2.89Å; S342-L364 PolarHBondContact O-N 2.91Å
343A94.8Very high95.7Very high2 Ų229 Ų292%0.01716%0.16CC..EExtended strand (participates in β ladder)trans-119.6142.9-172.900000113.1V290 L340 Y345 R361 L362 V363V290-A343 WeakPolarHBondContact CG2-O 3.4Å; L340-A343 PolarHBondContact N-O 2.85Å; L340-A343 PolarHBondContact O-N 3.32Å; A343-Y345 HydrophobicContact CB-CD2 4.47Å; A343-Y345 HydrophobicContact CB-CE2 3.82Å; A343-R361 HydrophobicContact CB-CG 4.02Å; A343-L362 CarbonylContact C-O 3.57Å; A343-L362 VanDerWaalsContact CA-O 3.22Å; A343-L362 WeakPolarHBondContact CA-O 3.4Å; A343-V363 HydrophobicContact CB-CG2 4.23Å
344V97.1Very high95.5Very high0 Ų029.5 Ų29.50%017%0.171CC..EExtended strand (participates in β ladder)trans-93.2133.9166.5-176.90000108A288 V290 V295 R361 L362 L364 W370A288-V344 HydrophobicContact CB-CG1 4.43Å; V290-V344 HydrophobicContact CB-CG2 3.96Å; V290-V344 HydrophobicContact CG1-CG2 4.47Å; V290-V344 HydrophobicContact CG2-CB 4.24Å; V290-V344 HydrophobicContact CG2-CG2 3.42Å; V290-V344 VanDerWaalsContact CG2-CG2 3.42Å; V295-V344 HydrophobicContact CB-CG2 4.23Å; V295-V344 HydrophobicContact CG1-CG2 4.3Å; V295-V344 HydrophobicContact CG2-CG2 3.9Å; V344-R361 CarbonylContact O-C 3.52Å; V344-R361 WeakPolarHBondContact O-CA 3.45Å; V344-L362 PolarHBondContact N-O 3.23Å; V344-L362 PolarHBondContact O-N 3.04Å; V344-L364 HydrophobicContact CG2-CD1 4.39Å; V344-L364 HydrophobicContact CG2-CD2 4.21Å; V344-L364 HydrophobicContact CG2-CG 4.25Å; V344-W370 HydrophobicContact CB-CH2 4.43Å; V344-W370 HydrophobicContact CG1-CH2 4.19Å
345Y98.1Very high95.5Very high5 Ų531 Ų312%0.0218%0.177CC..EExtended strand (participates in β ladder)trans-111.9138.5170.7-66.2-99.4000109.6S337 I338 L340 A343 V359 E360 R361 I392 Y411 V413S337-Y345 CarbonylContact C-O 3.55Å; S337-Y345 WeakPolarHBondContact CA-O 3.44Å; S337-Y345 WeakPolarHBondContact CB-O 3.17Å; I338-Y345 PolarHBondContact N-O 2.91Å; I338-Y345 PolarHBondContact O-N 2.93Å; L340-Y345 HydrophobicContact CB-CD2 4.28Å; L340-Y345 HydrophobicContact CB-CE2 4.02Å; A343-Y345 HydrophobicContact CB-CD2 4.47Å; A343-Y345 HydrophobicContact CB-CE2 3.82Å; Y345-V359 HydrophobicContact CD1-CG1 4.45Å; Y345-E360 CarbonylContact C-O 3.58Å; Y345-E360 WeakPolarHBondContact CA-O 3.28Å; Y345-R361 HydrophobicContact CD1-CB 3.96Å; Y345-R361 HydrophobicContact CD1-CG 4.06Å; Y345-R361 HydrophobicContact CE1-CB 3.86Å; Y345-R361 HydrophobicContact CE1-CG 3.62Å; Y345-R361 HydrophobicContact CE2-CG 4.32Å; Y345-R361 WeakPolarHBondContact OH-CD 3.42Å; Y345-R361 PolarHBondContact OH-NE 2.79Å; Y345-I392 HydrophobicContact CD1-CD1 3.85Å; Y345-I392 HydrophobicContact CD2-CD1 3.5Å; Y345-I392 VanDerWaalsContact CD2-CD1 3.5Å; Y345-I392 HydrophobicContact CE1-CD1 4.23Å; Y345-I392 HydrophobicContact CE2-CD1 3.92Å; Y345-I392 HydrophobicContact CG-CD1 3.45Å; Y345-I392 VanDerWaalsContact CG-CD1 3.45Å; Y345-Y411 HydrophobicContact CD1-CE1 4.4Å; Y345-Y411 AromaticContact CE1-CE1 3.9Å; Y345-Y411 HydrophobicContact CE1-CE1 3.9Å; Y345-V413 WeakPolarHBondContact OH-CG1 3.32Å
346V98.4Very high95.5Very high0 Ų031.1 Ų31.10%018%0.179CC..EExtended strand (participates in β ladder)trans-118.7121.2175.71680000107.6T297 M328 R332 V359 E360 W370T297-V346 HydrophobicContact CG2-CG2 3.95Å; M328-V346 HydrophobicContact SD-CB 4.4Å; M328-V346 HydrophobicContact SD-CG1 3.91Å; M328-V346 HydrophobicContact SD-CG2 3.9Å; R332-V346 HydrophobicContact CG-CG1 4.49Å; V346-V359 VanDerWaalsContact O-CA 3.29Å; V346-V359 WeakPolarHBondContact O-CA 3.3Å; V346-E360 HydrophobicContact CB-CB 4.46Å; V346-E360 PolarHBondContact N-O 3.39Å; V346-E360 PolarHBondContact O-N 2.89Å; V346-W370 HydrophobicContact CB-CZ3 4.21Å; V346-W370 HydrophobicContact CG2-CH2 3.56Å; V346-W370 HydrophobicContact CG2-CZ3 3.7Å
347L98.3Very high95.5Very high2 Ų231.7 Ų31.71%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-125.2115.7-162-56.1154.6000109.5C336 I338 V359 M376 T385 I392 V394 W418C336-L347 HydrophobicContact CB-CB 4.27Å; C336-L347 HydrophobicContact CB-CD1 4.46Å; C336-L347 PolarHBondContact N-O 2.91Å; C336-L347 PolarHBondContact O-N 3.01Å; I338-L347 HydrophobicContact CG2-CD1 3.88Å; L347-V359 HydrophobicContact CD2-CB 4.31Å; L347-V359 HydrophobicContact CD2-CG1 3.44Å; L347-V359 VanDerWaalsContact CD2-CG1 3.44Å; L347-V359 HydrophobicContact CD2-CG2 3.9Å; L347-V359 HydrophobicContact CG-CG1 4.41Å; L347-M376 HydrophobicContact CB-SD 4.27Å; L347-T385 HydrophobicContact CD1-CG2 3.75Å; L347-I392 HydrophobicContact CD1-CG2 3.75Å; L347-V394 HydrophobicContact CB-CG2 4.4Å; L347-V394 HydrophobicContact CD1-CG2 4.11Å; L347-W418 HydrophobicContact CD2-CH2 3.91Å; L347-W418 HydrophobicContact CD2-CZ2 3.76Å
348G97.4Very high95.6Very high0 Ų034 Ų340%020%0.196CC..  trans61.2-138.717200000115.1R332 H335 V356 D358R332-G348 WeakPolarHBondContact CD-O 3.23Å; R332-G348 PolarHBondContact NH1-O 2.96Å; H335-G348 VanDerWaalsContact CB-O 3.27Å; H335-G348 WeakPolarHBondContact CB-O 3.21Å; G348-V356 WeakPolarHBondContact CA-O 3.36Å; G348-D358 PolarHBondContact N-O 2.67Å
349G97.4Very high95.7Very high0 Ų033 Ų330%019%0.191CC..  trans87.4-161.9-175.100000113.8L355 V356 V380G349-L355 WeakPolarHBondContact O-CA 3.38Å; G349-V356 WeakPolarHBondContact O-CG2 3.5Å; G349-V356 PolarHBondContact O-N 3.5Å; G349-V380 PolarHBondContact N-O 2.86Å
350S97.3Very high95.8Very high7 Ų732.2 Ų32.25%0.04918%0.182CC..EExtended strand (participates in β ladder)trans-121.4131.8-174.9-70.20000111.1R332 H333 L355 E381R332-S350 CarbonylContact C-O 3.58Å; R332-S350 VanDerWaalsContact CA-O 3.25Å; R332-S350 WeakPolarHBondContact CA-O 3.43Å; H333-S350 PolarHBondContact N-O 3.05Å; H333-S350 PolarHBondContact ND1-O 2.98Å; H333-S350 VanDerWaalsContact ND1-O 3.08Å; H333-S350 PolarHBondContact O-N 3.22Å; S350-L355 VanDerWaalsContact OG-CD1 3.31Å; S350-L355 WeakPolarHBondContact OG-CD1 3.42Å; S350-L355 WeakPolarHBondContact OG-CG 3.45Å; S350-E381 WeakPolarHBondContact CB-OE2 3.34Å; S350-E381 PolarHBondContact OG-OE2 2.8Å
351M96.9Very high96Very high38 Ų3834.3 Ų34.319%0.18719%0.188CC..EExtended strand (participates in β ladder)trans-96175164.4-51.5-169.5-53.400109K330 S331 R332 E353 G354 V356K330-M351 HydrophobicContact CB-SD 3.94Å; K330-M351 HydrophobicContact CD-SD 3.95Å; K330-M351 HydrophobicContact CG-SD 4.24Å; S331-M351 WeakPolarHBondContact O-CG 3.48Å; R332-M351 HydrophobicContact CB-CG 4.43Å; M351-E353 WeakPolarHBondContact CB-OE2 3.37Å; M351-E353 PolarHBondContact O-N 3.49Å; M351-G354 PolarHBondContact N-O 2.92Å; M351-G354 PolarHBondContact O-N 3.01Å; M351-G354 VanDerWaalsContact O-N 3.17Å; M351-V356 HydrophobicContact CE-CG1 3.28Å; M351-V356 HydrophobicContact CG-CG1 3.75Å; M351-V356 HydrophobicContact CG-CG2 4.05Å; M351-V356 HydrophobicContact SD-CG1 3.63Å
352D94.6Very high96.5Very high89 Ų8928.4 Ų28.448%0.47616%0.157SC..THydrogen-bonded Turntrans-67.5-22.3177.7-64.4-16.2000111.8F307 S308F307-D352 WeakPolarHBondContact CB-OD2 3.4Å; S308-D352 VanDerWaalsContact CB-OD1 3.28Å; S308-D352 WeakPolarHBondContact CB-OD1 3.28Å; S308-D352 PolarHBondContact N-OD1 3.16Å; S308-D352 PolarHBondContact N-OD2 2.93Å; S308-D352 PolarHBondContact OG-OD1 3.43Å
353E93.7Very high96.8Very high162 Ų16227.6 Ų27.676%0.75715%0.149SC*.THydrogen-bonded Turntrans-83.8-17.4175-5978.8-171.700114.2M351M351-E353 WeakPolarHBondContact CB-OE2 3.37Å; M351-E353 PolarHBondContact O-N 3.49Å
354G94.6Very high96.5Very high32 Ų3229.4 Ų29.433%0.3316%0.158SC..EExtended strand (participates in β ladder)trans141.8-176.1-177.100000114.1M351M351-G354 PolarHBondContact N-O 2.92Å; M351-G354 PolarHBondContact O-N 3.01Å; M351-G354 VanDerWaalsContact O-N 3.17Å
355L96.1Very high95.9Very high42 Ų4233.6 Ų33.622%0.2220%0.202CC..EExtended strand (participates in β ladder)trans-67149.9178-87.575.4000111.7G349 S350 A379 E381 L398 D399 E400G349-L355 WeakPolarHBondContact O-CA 3.38Å; S350-L355 VanDerWaalsContact OG-CD1 3.31Å; S350-L355 WeakPolarHBondContact OG-CD1 3.42Å; S350-L355 WeakPolarHBondContact OG-CG 3.45Å; L355-A379 HydrophobicContact CB-CB 4.3Å; L355-E381 HydrophobicContact CD2-CB 4.45Å; L355-E381 HydrophobicContact CD2-CG 4.21Å; L355-E381 HydrophobicContact CG-CG 4.46Å; L355-L398 WeakPolarHBondContact CD2-O 3.23Å; L355-D399 VanDerWaalsContact CD2-C 3.46Å; L355-E400 HydrophobicContact CB-CG 3.93Å
356V97Very high95.4Very high12 Ų1235.6 Ų35.67%0.07322%0.216CC..  trans-129.3147.1177.4-71.30000112.4G348 G349 M351 D358 A379G348-V356 WeakPolarHBondContact CA-O 3.36Å; G349-V356 WeakPolarHBondContact O-CG2 3.5Å; G349-V356 PolarHBondContact O-N 3.5Å; M351-V356 HydrophobicContact CE-CG1 3.28Å; M351-V356 HydrophobicContact CG-CG1 3.75Å; M351-V356 HydrophobicContact CG-CG2 4.05Å; M351-V356 HydrophobicContact SD-CG1 3.63Å; V356-D358 HydrophobicContact CB-CB 4.47Å; V356-A379 VanDerWaalsContact C-CB 3.45Å
357A97.7Very high94.9Very high22 Ų2245.2 Ų45.218%0.18226%0.261CS..  trans-95.5-4.716900000112.5P375 M376 A379A357-P375 HydrophobicContact CB-CB 4.09Å; A357-P375 CarbonylContact O-C 3.53Å; A357-P375 WeakPolarHBondContact O-CA 3.47Å; A357-P375 WeakPolarHBondContact O-CB 3.25Å; A357-M376 HydrophobicContact CB-CB 4.23Å; A357-M376 PolarHBondContact O-N 2.95Å; A357-A379 HydrophobicContact CB-CB 3.94Å
358D98.1Very high94.4Very high55 Ų5551.6 Ų51.629%0.29429%0.291SS..  trans-59.4141-175-65.1-88.4000112.6K330 R332 G348 V356K330-D358 HydrophobicContact CD-CB 4.17Å; K330-D358 IonicContact NZ-OD1 3.63Å; K330-D358 PolarHBondContact NZ-OD1 3.35Å; K330-D358 IonicContact NZ-OD2 3.68Å; K330-D358 PolarHBondContact NZ-OD2 3.07Å; R332-D358 PolarHBondContact NH1-O 2.86Å; G348-D358 PolarHBondContact N-O 2.67Å; V356-D358 HydrophobicContact CB-CB 4.47Å
359V98.3Very high94.1Very high2 Ų252.6 Ų52.61%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-121.8130.2177.1-175.90000109.2Y345 V346 L347 G372 V373 M376 W418Y345-V359 HydrophobicContact CD1-CG1 4.45Å; V346-V359 VanDerWaalsContact O-CA 3.29Å; V346-V359 WeakPolarHBondContact O-CA 3.3Å; L347-V359 HydrophobicContact CD2-CB 4.31Å; L347-V359 HydrophobicContact CD2-CG1 3.44Å; L347-V359 VanDerWaalsContact CD2-CG1 3.44Å; L347-V359 HydrophobicContact CD2-CG2 3.9Å; L347-V359 HydrophobicContact CG-CG1 4.41Å; V359-G372 WeakPolarHBondContact O-CA 3.37Å; V359-V373 HydrophobicContact CB-CG2 3.57Å; V359-V373 HydrophobicContact CG1-CG2 3.35Å; V359-V373 PolarHBondContact O-N 2.94Å; V359-M376 HydrophobicContact CG2-CG 3.78Å; V359-W418 HydrophobicContact CG2-CZ2 3.81Å
360E97.9Very high94.1Very high4 Ų453.5 Ų53.52%0.01931%0.305CS..EExtended strand (participates in β ladder)trans-118.4143.1176.5-61-178.7-133.900110.2Q329 K330 R332 Y345 V346 W370 Q371Q329-E360 VanDerWaalsContact CB-OE2 3.3Å; Q329-E360 WeakPolarHBondContact CB-OE2 3.44Å; Q329-E360 WeakPolarHBondContact CG-OE2 3.44Å; Q329-E360 PolarHBondContact N-OE2 2.95Å; K330-E360 WeakPolarHBondContact CB-OE1 3.47Å; K330-E360 PolarHBondContact N-OE1 2.85Å; R332-E360 IonicContact CZ-OE1 3.41Å; R332-E360 IonicContact NE-OE1 2.75Å; R332-E360 IonicContact NH2-OE1 3.38Å; R332-E360 PolarHBondContact NH2-OE1 3.14Å; Y345-E360 CarbonylContact C-O 3.58Å; Y345-E360 WeakPolarHBondContact CA-O 3.28Å; V346-E360 HydrophobicContact CB-CB 4.46Å; V346-E360 PolarHBondContact N-O 3.39Å; V346-E360 PolarHBondContact O-N 2.89Å; E360-W370 HydrophobicContact CB-CE3 3.7Å; E360-W370 HydrophobicContact CB-CZ3 4.14Å; E360-Q371 CarbonylContact C-O 3.55Å; E360-Q371 WeakPolarHBondContact CA-O 3.43Å
361R97.3Very high94.1Very high65 Ų6556.2 Ų56.225%0.24532%0.317CS..EExtended strand (participates in β ladder)trans-125.3136.7-179.7178.6-172.4173.2-112.21.1109.9A343 V344 Y345 V363 Q371 V373A343-R361 HydrophobicContact CB-CG 4.02Å; V344-R361 CarbonylContact O-C 3.52Å; V344-R361 WeakPolarHBondContact O-CA 3.45Å; Y345-R361 HydrophobicContact CD1-CB 3.96Å; Y345-R361 HydrophobicContact CD1-CG 4.06Å; Y345-R361 HydrophobicContact CE1-CB 3.86Å; Y345-R361 HydrophobicContact CE1-CG 3.62Å; Y345-R361 HydrophobicContact CE2-CG 4.32Å; Y345-R361 WeakPolarHBondContact OH-CD 3.42Å; Y345-R361 PolarHBondContact OH-NE 2.79Å; R361-V363 VanDerWaalsContact CZ-CG2 3.46Å; R361-Q371 PolarHBondContact N-O 2.9Å; R361-Q371 PolarHBondContact O-N 2.88Å; R361-V373 HydrophobicContact CB-CG1 4.07Å
362L96.9Very high94.1Very high4 Ų456.8 Ų56.82%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-128.4122.7171176.769.3000110P326 A343 V344 L364 G369 W370P326-L362 HydrophobicContact CG-CD1 3.9Å; P326-L362 HydrophobicContact CG-CD2 3.63Å; P326-L362 HydrophobicContact CG-CG 4.44Å; A343-L362 CarbonylContact C-O 3.57Å; A343-L362 VanDerWaalsContact CA-O 3.22Å; A343-L362 WeakPolarHBondContact CA-O 3.4Å; V344-L362 PolarHBondContact N-O 3.23Å; V344-L362 PolarHBondContact O-N 3.04Å; L362-L364 HydrophobicContact CD2-CD2 3.9Å; L362-L364 HydrophobicContact CG-CD2 4.38Å; L362-G369 VanDerWaalsContact CD1-C 3.47Å; L362-G369 WeakPolarHBondContact CD1-O 3.33Å; L362-W370 HydrophobicContact CB-CD2 3.64Å; L362-W370 HydrophobicContact CB-CE3 3.6Å; L362-W370 HydrophobicContact CB-CG 4.3Å; L362-W370 HydrophobicContact CB-CH2 3.84Å; L362-W370 HydrophobicContact CB-CZ2 3.86Å; L362-W370 HydrophobicContact CB-CZ3 3.71Å; L362-W370 HydrophobicContact CD1-CG 4.46Å; L362-W370 HydrophobicContact CD2-CD2 4.4Å; L362-W370 HydrophobicContact CD2-CH2 4.44Å; L362-W370 HydrophobicContact CD2-CZ2 3.75Å; L362-W370 HydrophobicContact CG-CD2 4.43Å; L362-W370 HydrophobicContact CG-CZ2 4.44Å
363V95.3Very high94.3Very high36 Ų3654 Ų5422%0.21832%0.319CS..EExtended strand (participates in β ladder)trans-82.2117.6165.6-178.30000108.1A343 R361 G365 S366A343-V363 HydrophobicContact CB-CG2 4.23Å; R361-V363 VanDerWaalsContact CZ-CG2 3.46Å; V363-G365 PolarHBondContact O-N 3.06Å; V363-S366 WeakPolarHBondContact O-CB 3.21Å; V363-S366 PolarHBondContact O-N 2.85Å; V363-S366 VanDerWaalsContact O-N 3.14Å
364L87.9Confident94.5Very high40 Ų4050 Ų5021%0.20930%0.302CS..THydrogen-bonded Turntrans-64.6127.5-177.8-67-175.4000110.5V290 N293 V295 I314 S342 V344 L362V290-L364 HydrophobicContact CB-CD1 3.83Å; V290-L364 HydrophobicContact CG1-CD1 3.73Å; V290-L364 HydrophobicContact CG1-CG 4.17Å; N293-L364 HydrophobicContact CB-CD1 4.28Å; V295-L364 HydrophobicContact CG2-CD1 4.15Å; I314-L364 HydrophobicContact CD1-CD2 4.06Å; S342-L364 PolarHBondContact O-N 2.91Å; V344-L364 HydrophobicContact CG2-CD1 4.39Å; V344-L364 HydrophobicContact CG2-CD2 4.21Å; V344-L364 HydrophobicContact CG2-CG 4.25Å; L362-L364 HydrophobicContact CD2-CD2 3.9Å; L362-L364 HydrophobicContact CG-CD2 4.38Å
365G84.5Confident94.6Very high89 Ų8951.6 Ų51.692%0.91831%0.307SS*.THydrogen-bonded Turntrans86.4-0.7-177.800000115.2V363V363-G365 PolarHBondContact O-N 3.06Å
366S87.9Confident94.7Very high46 Ų4650 Ų5032%0.32230%0.299SS..  trans-77.6146.6171.2-178.20000111.9V363 E368V363-S366 WeakPolarHBondContact O-CB 3.21Å; V363-S366 PolarHBondContact O-N 2.85Å; V363-S366 VanDerWaalsContact O-N 3.14Å; S366-E368 VanDerWaalsContact C-N 3.31Å; S366-E368 PolarHBondContact OG-N 3.07Å
367E87.4Confident94.8Very high202 Ų20252.8 Ų52.894%0.94432%0.316SS*.THydrogen-bonded Turntrans-77.2-17172.6-63.7-170.8168.500112.9G369E367-G369 PolarHBondContact O-N 2.98Å
368E87.4Confident94.7Very high137 Ų13757.3 Ų57.364%0.6433%0.328SS*.THydrogen-bonded Turntrans-72.1-12.9-173.7-60.6-178157.300113.6S366 Q371S366-E368 VanDerWaalsContact C-N 3.31Å; S366-E368 PolarHBondContact OG-N 3.07Å; E368-Q371 VanDerWaalsContact CB-NE2 3.35Å; E368-Q371 PolarHBondContact OE2-NE2 3.25Å
369G92.8Very high94.7Very high21 Ų2154.9 Ų54.922%0.21632%0.315CS..  trans66.9-158.2-178.700000113.6L362 E367L362-G369 VanDerWaalsContact CD1-C 3.47Å; L362-G369 WeakPolarHBondContact CD1-O 3.33Å; E367-G369 PolarHBondContact O-N 2.98Å
370W97.4Very high94.7Very high18 Ų1855 Ų557%0.06832%0.316CS..  trans-72.1138177.9-7392.9000111.2T297 V312 P326 A327 M328 Q329 V344 V346 E360 L362T297-W370 HydrophobicContact CG2-CH2 4.32Å; T297-W370 HydrophobicContact CG2-CZ2 4.49Å; V312-W370 HydrophobicContact CG2-CZ2 3.81Å; P326-W370 PolarHBondContact O-NE1 2.67Å; A327-W370 PolarHBondContact O-NE1 2.84Å; M328-W370 HydrophobicContact CG-CD2 4.36Å; M328-W370 HydrophobicContact CG-CH2 4.37Å; M328-W370 HydrophobicContact CG-CZ2 3.9Å; Q329-W370 HydrophobicContact CG-CB 4.02Å; Q329-W370 PolarHBondContact NE2-O 3.23Å; V344-W370 HydrophobicContact CB-CH2 4.43Å; V344-W370 HydrophobicContact CG1-CH2 4.19Å; V346-W370 HydrophobicContact CB-CZ3 4.21Å; V346-W370 HydrophobicContact CG2-CH2 3.56Å; V346-W370 HydrophobicContact CG2-CZ3 3.7Å; E360-W370 HydrophobicContact CB-CE3 3.7Å; E360-W370 HydrophobicContact CB-CZ3 4.14Å; L362-W370 HydrophobicContact CB-CD2 3.64Å; L362-W370 HydrophobicContact CB-CE3 3.6Å; L362-W370 HydrophobicContact CB-CG 4.3Å; L362-W370 HydrophobicContact CB-CH2 3.84Å; L362-W370 HydrophobicContact CB-CZ2 3.86Å; L362-W370 HydrophobicContact CB-CZ3 3.71Å; L362-W370 HydrophobicContact CD1-CG 4.46Å; L362-W370 HydrophobicContact CD2-CD2 4.4Å; L362-W370 HydrophobicContact CD2-CH2 4.44Å; L362-W370 HydrophobicContact CD2-CZ2 3.75Å; L362-W370 HydrophobicContact CG-CD2 4.43Å; L362-W370 HydrophobicContact CG-CZ2 4.44Å
371Q97.1Very high94.6Very high64 Ų6456.2 Ų56.230%0.29932%0.322SS..EExtended strand (participates in β ladder)trans-123.8136.9177.1-65.6173.97.100110.2E360 R361 E368E360-Q371 CarbonylContact C-O 3.55Å; E360-Q371 WeakPolarHBondContact CA-O 3.43Å; R361-Q371 PolarHBondContact N-O 2.9Å; R361-Q371 PolarHBondContact O-N 2.88Å; E368-Q371 VanDerWaalsContact CB-NE2 3.35Å; E368-Q371 PolarHBondContact OE2-NE2 3.25Å
372G96.9Very high94.5Very high51 Ų5157.1 Ų57.153%0.52633%0.325SS..EExtended strand (participates in β ladder)trans-74.1137168.600000110.4V359V359-G372 WeakPolarHBondContact O-CA 3.37Å
373V97.3Very high94.5Very high29 Ų2957.4 Ų57.418%0.17633%0.328CS..EExtended strand (participates in β ladder)trans-117.6178.5169.3-57.80000109.2V359 R361 Y411V359-V373 HydrophobicContact CB-CG2 3.57Å; V359-V373 HydrophobicContact CG1-CG2 3.35Å; V359-V373 PolarHBondContact O-N 2.94Å; R361-V373 HydrophobicContact CB-CG1 4.07Å; V373-Y411 HydrophobicContact CG2-CE1 4.49Å
374N98.1Very high94.5Very high78 Ų7855.8 Ų55.842%0.41732%0.319SS..PPolyproline II helixtrans-58.6138.1-176.2-82.1-35.6000112D416 W418N374-D416 VanDerWaalsContact CB-OD1 3.31Å; N374-D416 WeakPolarHBondContact CB-OD1 3.47Å; N374-D416 PolarHBondContact N-OD1 3.22Å; N374-D416 PolarHBondContact ND2-O 3.42Å; N374-D416 PolarHBondContact ND2-OD2 3.29Å; N374-W418 VanDerWaalsContact O-CD1 3.3Å; N374-W418 PolarHBondContact O-NE1 2.81Å
375P98Very high94.9Very high66 Ų6655.2 Ų55.243%0.42932%0.317SS..PPolyproline II helixtrans-71.4156.2-177.130.6-35.7000111.2A357A357-P375 HydrophobicContact CB-CB 4.09Å; A357-P375 CarbonylContact O-C 3.53Å; A357-P375 WeakPolarHBondContact O-CA 3.47Å; A357-P375 WeakPolarHBondContact O-CB 3.25Å
376M97.9Very high95.5Very high9 Ų951.2 Ų51.24%0.04428%0.275CS..PPolyproline II helixtrans-58.4155.5174-59.6-170-59.400111.8L347 A357 V359 R378 V380 V394 W418L347-M376 HydrophobicContact CB-SD 4.27Å; A357-M376 HydrophobicContact CB-CB 4.23Å; A357-M376 PolarHBondContact O-N 2.95Å; V359-M376 HydrophobicContact CG2-CG 3.78Å; M376-R378 VanDerWaalsContact C-N 3.26Å; M376-R378 PolarHBondContact O-N 3.37Å; M376-V380 HydrophobicContact CE-CG2 3.92Å; M376-V394 HydrophobicContact SD-CB 4.32Å; M376-V394 HydrophobicContact SD-CG1 4.13Å; M376-V394 HydrophobicContact SD-CG2 3.86Å; M376-W418 HydrophobicContact CG-CD2 4.37Å; M376-W418 HydrophobicContact CG-CE3 4.48Å; M376-W418 HydrophobicContact CG-CH2 3.74Å; M376-W418 HydrophobicContact CG-CZ2 3.6Å; M376-W418 HydrophobicContact CG-CZ3 4.18Å; M376-W418 HydrophobicContact SD-CH2 4.19Å
377V97.6Very high95.8Very high71 Ų7150.3 Ų50.343%0.4327%0.27SS..SBendtrans-61.9-36.8175.9-172.80000111.4W418 V420V377-W418 HydrophobicContact CG2-CB 3.76Å; V377-V420 HydrophobicContact CB-CG2 4.1Å; V377-V420 HydrophobicContact CG1-CG2 3.97Å; V377-V420 HydrophobicContact CG2-CG2 4.06Å
378R97.4Very high96Very high116 Ų11642.1 Ų42.144%0.43823%0.233SC..SBendtrans-133.9128.4177.8-172.969.664-160.5-1.2109.5M376 V380 D399 Y405 Q409M376-R378 VanDerWaalsContact C-N 3.26Å; M376-R378 PolarHBondContact O-N 3.37Å; R378-V380 HydrophobicContact CG-CG1 4.15Å; R378-V380 PolarHBondContact O-N 3.29Å; R378-D399 HydrophobicContact CG-CB 4.43Å; R378-Y405 HydrophobicContact CB-CD1 4.16Å; R378-Y405 HydrophobicContact CB-CE1 3.8Å; R378-Y405 HydrophobicContact CB-CE2 4.29Å; R378-Y405 HydrophobicContact CG-CD1 4.13Å; R378-Y405 HydrophobicContact CG-CD2 4.06Å; R378-Y405 HydrophobicContact CG-CE1 4.21Å; R378-Y405 HydrophobicContact CG-CE2 4.18Å; R378-Y405 HydrophobicContact CG-CG 4.05Å; R378-Q409 PolarHBondContact O-NE2 3.31Å; R378-Q409 PolarHBondContact O-OE1 2.92Å
379A97.6Very high96.1Very high4 Ų438.4 Ų38.43%0.03323%0.231CC..  trans-62.9125.8168.300000109.6L355 V356 A357 E400L355-A379 HydrophobicContact CB-CB 4.3Å; V356-A379 VanDerWaalsContact C-CB 3.45Å; A357-A379 HydrophobicContact CB-CB 3.94Å; A379-E400 HydrophobicContact CB-CG 4.23Å
380V97.8Very high96.1Very high4 Ų442.7 Ų42.72%0.02425%0.247CC..  trans-140.6146.2178.1-66.60000111.1G349 M376 R378 A383 V394 L398 Y405G349-V380 PolarHBondContact N-O 2.86Å; M376-V380 HydrophobicContact CE-CG2 3.92Å; R378-V380 HydrophobicContact CG-CG1 4.15Å; R378-V380 PolarHBondContact O-N 3.29Å; V380-A383 HydrophobicContact CB-CB 4.4Å; V380-A383 HydrophobicContact CG2-CB 3.77Å; V380-V394 HydrophobicContact CG2-CG1 3.77Å; V380-L398 CarbonylContact C-O 3.54Å; V380-L398 WeakPolarHBondContact CA-O 3.25Å; V380-Y405 HydrophobicContact CG1-CD1 3.95Å; V380-Y405 HydrophobicContact CG1-CG 4.3Å
381E96.8Very high96Very high31 Ų3142.8 Ų42.815%0.14525%0.25CS..BIsolated β-bridgetrans-113.1160.4164.468.2164.5-15000111S350 L355 A383 G397 L398S350-E381 WeakPolarHBondContact CB-OE2 3.34Å; S350-E381 PolarHBondContact OG-OE2 2.8Å; L355-E381 HydrophobicContact CD2-CB 4.45Å; L355-E381 HydrophobicContact CD2-CG 4.21Å; L355-E381 HydrophobicContact CG-CG 4.46Å; E381-A383 PolarHBondContact O-N 3.1Å; E381-G397 WeakPolarHBondContact O-CA 3.47Å; E381-L398 HydrophobicContact CG-CB 3.94Å; E381-L398 PolarHBondContact N-O 3.3Å; E381-L398 PolarHBondContact O-N 2.89Å
382R95Very high96.1Very high84 Ų8439.7 Ų39.732%0.31724%0.236SC..SBendtrans54.331.5175.3-55165.668.9178.98112.7S334 D430S334-R382 PolarHBondContact O-N 2.74Å; R382-D430 IonicContact CZ-OD1 2.85Å; R382-D430 IonicContact CZ-OD2 3.49Å; R382-D430 IonicContact NE-OD1 2.69Å; R382-D430 PolarHBondContact NE-OD1 2.82Å; R382-D430 IonicContact NE-OD2 3.24Å; R382-D430 VanDerWaalsContact NH2-CG 3.28Å; R382-D430 IonicContact NH2-OD1 3Å; R382-D430 PolarHBondContact NH2-OD1 3.46Å; R382-D430 IonicContact NH2-OD2 2.92Å; R382-D430 PolarHBondContact NH2-OD2 2.91Å; R382-D430 PolarHBondContact O-N 2.81Å
383A96.3Very high96.1Very high10 Ų1037.7 Ų37.78%0.08321%0.212CC..  trans-79.8167.3173.600000110.3C336 V380 E381 V394 C396C336-A383 PolarHBondContact SG-O 3.2Å; V380-A383 HydrophobicContact CB-CB 4.4Å; V380-A383 HydrophobicContact CG2-CB 3.77Å; E381-A383 PolarHBondContact O-N 3.1Å; A383-V394 HydrophobicContact CB-CG1 3.66Å; A383-C396 WeakPolarHBondContact CB-O 3.29Å
384A95.9Very high96.2Very high2 Ų236.3 Ų36.32%0.01720%0.204CC..EExtended strand (participates in β ladder)trans-98.8147169.500000110.7V394 A395 L431 A433 L442A384-V394 CarbonylContact O-C 3.56Å; A384-V394 WeakPolarHBondContact O-CA 3.38Å; A384-A395 HydrophobicContact CB-CB 4.39Å; A384-A395 PolarHBondContact N-O 2.61Å; A384-A395 PolarHBondContact O-N 2.83Å; A384-L431 HydrophobicContact CB-CB 3.67Å; A384-L431 WeakPolarHBondContact CB-O 3.27Å; A384-A433 HydrophobicContact CB-CB 3.6Å; A384-L442 HydrophobicContact CB-CD2 4.46Å
385T96.4Very high96.1Very high27 Ų2732.8 Ų32.817%0.16619%0.186CC..EExtended strand (participates in β ladder)trans-131.4140.2178.937.70000113C336 L347 Y393 V394C336-T385 HydrophobicContact CB-CG2 3.34Å; C336-T385 WeakPolarHBondContact CB-OG1 3.43Å; L347-T385 HydrophobicContact CD1-CG2 3.75Å; T385-Y393 VanDerWaalsContact CA-O 3.22Å; T385-Y393 WeakPolarHBondContact CA-O 3.28Å; T385-V394 HydrophobicContact CG2-CB 4.3Å; T385-V394 HydrophobicContact CG2-CG1 4.47Å; T385-V394 HydrophobicContact CG2-CG2 3.69Å
386A96.1Very high96.1Very high5 Ų529.7 Ų29.74%0.04117%0.166CC..EExtended strand (participates in β ladder)trans-144.9156.117400000110.1Y393 A433 L440A386-Y393 PolarHBondContact N-O 2.87Å; A386-Y393 VanDerWaalsContact N-O 3.09Å; A386-Y393 PolarHBondContact O-N 2.78Å; A386-A433 HydrophobicContact CB-CB 3.99Å; A386-L440 HydrophobicContact CB-CD2 3.86Å
387A94.7Very high96Very high27 Ų2729.2 Ų29.222%0.22316%0.164CC..EExtended strand (participates in β ladder)trans-115.3135.7175.700000109I338 L340 C391 E435I338-A387 HydrophobicContact CD1-CB 3.68Å; I338-A387 VanDerWaalsContact CD1-N 3.31Å; I338-A387 HydrophobicContact CG1-CB 4.32Å; L340-A387 HydrophobicContact CD1-CB 4.24Å; A387-C391 WeakPolarHBondContact CA-O 3.34Å; A387-E435 VanDerWaalsContact O-CB 3.24Å; A387-E435 WeakPolarHBondContact O-CB 3.11Å
388L92.4Very high96Very high30 Ų3026.9 Ų26.916%0.15715%0.148CC..EExtended strand (participates in β ladder)trans-140.7115.9176.1175.343000108.9M390 C391 Y393 E435 G438 L440 M452L388-M390 PolarHBondContact O-N 2.6Å; L388-C391 PolarHBondContact N-O 2Å; L388-C391 WeakPolarHBondContact O-CB 3.45Å; L388-C391 PolarHBondContact O-N 3.5Å; L388-Y393 HydrophobicContact CB-CD2 4.35Å; L388-Y393 HydrophobicContact CB-CE2 3.85Å; L388-E435 HydrophobicContact CB-CB 4.43Å; L388-E435 HydrophobicContact CB-CG 3.68Å; L388-E435 HydrophobicContact CD1-CG 3.59Å; L388-E435 HydrophobicContact CD2-CG 3.8Å; L388-E435 HydrophobicContact CG-CG 3.85Å; L388-G438 VanDerWaalsContact CD2-C 3.47Å; L388-G438 WeakPolarHBondContact CD2-O 2.96Å; L388-L440 HydrophobicContact CB-CD2 4.43Å; L388-L440 HydrophobicContact CD2-CD2 4.48Å; L388-M452 HydrophobicContact CB-CE 4.29Å; L388-M452 HydrophobicContact CD2-CE 3.09Å; L388-M452 HydrophobicContact CD2-CG 4.39Å; L388-M452 HydrophobicContact CD2-SD 3.6Å; L388-M452 VanDerWaalsContact CD2-SD 3.6Å; L388-M452 HydrophobicContact CG-CE 3.58Å; L388-M452 HydrophobicContact CG-SD 4.39Å
389G89.6Confident95.9Very high59 Ų5922.3 Ų22.361%0.60813%0.133SC*.THydrogen-bonded Turntrans62.2-131.4-172.300000111.1L340 C391L340-G389 WeakPolarHBondContact CD1-O 3.31Å; G389-C391 VanDerWaalsContact C-N 3.29Å
390M91.7Very high95.6Very high111 Ų11128.4 Ų28.455%0.54716%0.16SC..THydrogen-bonded Turntrans-95.124.2176.7-66.4-62.5-63.500112.8L388 V413L388-M390 PolarHBondContact O-N 2.6Å; M390-V413 WeakPolarHBondContact O-CB 3.4Å; M390-V413 WeakPolarHBondContact O-CG2 3.47Å; M390-V413 PolarHBondContact O-N 3.04Å
391C96.3Very high95.4Very high20 Ų2034.3 Ų34.314%0.13519%0.192CC..EExtended strand (participates in β ladder)trans-122.5142.8-176.6-63.40000110.8A387 L388 G389 Y393 R410 Y411A387-C391 WeakPolarHBondContact CA-O 3.34Å; L388-C391 PolarHBondContact N-O 2Å; L388-C391 WeakPolarHBondContact O-CB 3.45Å; L388-C391 PolarHBondContact O-N 3.5Å; G389-C391 VanDerWaalsContact C-N 3.29Å; C391-Y393 HydrophobicContact CB-CD2 4.4Å; C391-Y393 HydrophobicContact CB-CE2 3.46Å; C391-Y393 VanDerWaalsContact CB-CE2 3.46Å; C391-R410 HydrophobicContact CB-CG 4.03Å; C391-Y411 VanDerWaalsContact CA-O 3.23Å; C391-Y411 WeakPolarHBondContact CA-O 3.36Å
392I98Very high95.1Very high0 Ų035.2 Ų35.20%021%0.21CC..EExtended strand (participates in β ladder)trans-109.5138.2173.3-60.6173.3000108.2I338 L340 Y345 L347 R410 Y411 V413I338-I392 HydrophobicContact CG2-CD1 3.92Å; I338-I392 HydrophobicContact CG2-CG1 4.23Å; I338-I392 HydrophobicContact CG2-CG2 3.76Å; L340-I392 HydrophobicContact CB-CD1 4.41Å; L340-I392 HydrophobicContact CB-CG1 4.49Å; L340-I392 HydrophobicContact CD2-CD1 4.04Å; L340-I392 HydrophobicContact CD2-CG1 3.6Å; Y345-I392 HydrophobicContact CD1-CD1 3.85Å; Y345-I392 HydrophobicContact CD2-CD1 3.5Å; Y345-I392 VanDerWaalsContact CD2-CD1 3.5Å; Y345-I392 HydrophobicContact CE1-CD1 4.23Å; Y345-I392 HydrophobicContact CE2-CD1 3.92Å; Y345-I392 HydrophobicContact CG-CD1 3.45Å; Y345-I392 VanDerWaalsContact CG-CD1 3.45Å; L347-I392 HydrophobicContact CD1-CG2 3.75Å; I392-R410 CarbonylContact O-C 3.57Å; I392-R410 WeakPolarHBondContact O-CA 3.32Å; I392-Y411 HydrophobicContact CD1-CD1 4.23Å; I392-Y411 PolarHBondContact N-O 2.85Å; I392-Y411 PolarHBondContact O-N 3.32Å; I392-V413 HydrophobicContact CD1-CG2 4.49Å
393Y97.9Very high95.2Very high8 Ų836.2 Ų36.23%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-120.2131.5-178.2-63.1-97.7000109.9T385 A386 L388 C391 I408 Q409 R410 V421 L440 M452T385-Y393 VanDerWaalsContact CA-O 3.22Å; T385-Y393 WeakPolarHBondContact CA-O 3.28Å; A386-Y393 PolarHBondContact N-O 2.87Å; A386-Y393 VanDerWaalsContact N-O 3.09Å; A386-Y393 PolarHBondContact O-N 2.78Å; L388-Y393 HydrophobicContact CB-CD2 4.35Å; L388-Y393 HydrophobicContact CB-CE2 3.85Å; C391-Y393 HydrophobicContact CB-CD2 4.4Å; C391-Y393 HydrophobicContact CB-CE2 3.46Å; C391-Y393 VanDerWaalsContact CB-CE2 3.46Å; Y393-I408 HydrophobicContact CD1-CG2 4.21Å; Y393-Q409 CarbonylContact C-O 3.54Å; Y393-Q409 VanDerWaalsContact CA-O 3.29Å; Y393-Q409 WeakPolarHBondContact CA-O 3.23Å; Y393-R410 HydrophobicContact CD1-CB 3.82Å; Y393-R410 HydrophobicContact CD1-CG 4.01Å; Y393-R410 HydrophobicContact CE1-CB 3.66Å; Y393-R410 HydrophobicContact CE1-CG 3.5Å; Y393-R410 VanDerWaalsContact CE1-CG 3.5Å; Y393-R410 HydrophobicContact CE2-CG 4.35Å; Y393-R410 VanDerWaalsContact OH-CD 3.25Å; Y393-R410 WeakPolarHBondContact OH-CD 3.45Å; Y393-V421 HydrophobicContact CD1-CG2 4.5Å; Y393-V421 HydrophobicContact CE1-CG2 4.34Å; Y393-L440 HydrophobicContact CD1-CD1 3.66Å; Y393-L440 HydrophobicContact CD2-CD1 4.23Å; Y393-L440 HydrophobicContact CD2-CD2 4.36Å; Y393-L440 HydrophobicContact CE1-CD1 4.29Å; Y393-L440 HydrophobicContact CG-CD1 3.61Å; Y393-L440 HydrophobicContact CG-CD2 4.48Å; Y393-M452 HydrophobicContact CD1-SD 4.3Å; Y393-M452 HydrophobicContact CE1-SD 3.43Å; Y393-M452 WeakPolarHBondContact CE1-SD 3.49Å; Y393-M452 HydrophobicContact CE2-CE 4.4Å; Y393-M452 HydrophobicContact CE2-SD 3.92Å; Y393-M452 WeakPolarHBondContact OH-CE 3.2Å; Y393-M452 PolarHBondContact OH-SD 3.01Å
394V98.1Very high95.2Very high1 Ų138.5 Ų38.51%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-115.9114.2172.7-179.20000107.4L347 M376 V380 A383 A384 T385 Q409 W418L347-V394 HydrophobicContact CB-CG2 4.4Å; L347-V394 HydrophobicContact CD1-CG2 4.11Å; M376-V394 HydrophobicContact SD-CB 4.32Å; M376-V394 HydrophobicContact SD-CG1 4.13Å; M376-V394 HydrophobicContact SD-CG2 3.86Å; V380-V394 HydrophobicContact CG2-CG1 3.77Å; A383-V394 HydrophobicContact CB-CG1 3.66Å; A384-V394 CarbonylContact O-C 3.56Å; A384-V394 WeakPolarHBondContact O-CA 3.38Å; T385-V394 HydrophobicContact CG2-CB 4.3Å; T385-V394 HydrophobicContact CG2-CG1 4.47Å; T385-V394 HydrophobicContact CG2-CG2 3.69Å; V394-Q409 HydrophobicContact CB-CB 4.35Å; V394-Q409 PolarHBondContact N-O 3.42Å; V394-Q409 PolarHBondContact O-N 3Å; V394-W418 HydrophobicContact CB-CZ3 4.48Å; V394-W418 HydrophobicContact CG2-CH2 3.73Å; V394-W418 HydrophobicContact CG2-CZ3 4.03Å
395A97.3Very high95.3Very high4 Ų440.1 Ų40.13%0.03324%0.24CC..EExtended strand (participates in β ladder)trans-106.9122.8-17500000110.9A384 I408 L442A384-A395 HydrophobicContact CB-CB 4.39Å; A384-A395 PolarHBondContact N-O 2.61Å; A384-A395 PolarHBondContact O-N 2.83Å; A395-I408 HydrophobicContact CB-CD1 3.56Å; A395-L442 HydrophobicContact CB-CD1 4.04Å; A395-L442 HydrophobicContact CB-CD2 3.67Å
396C96.6Very high95.3Very high0 Ų040 Ų400%024%0.242CC..  trans56.4-141174.1-50.20000113.6A383 Y405 G407 R428 L431A383-C396 WeakPolarHBondContact CB-O 3.29Å; C396-Y405 WeakPolarHBondContact CA-O 3.29Å; C396-Y405 VanDerWaalsContact CB-O 3.23Å; C396-Y405 WeakPolarHBondContact CB-O 3.2Å; C396-G407 PolarHBondContact N-O 3.1Å; C396-G407 VanDerWaalsContact N-O 3.16Å; C396-R428 WeakPolarHBondContact CB-O 3.24Å; C396-L431 HydrophobicContact CB-CD1 4.04Å
397G96.2Very high95.3Very high0 Ų039.7 Ų39.70%024%0.24CC..  trans103.8-179.7-173.900000113.7E381 V404 Y405 R428E381-G397 WeakPolarHBondContact O-CA 3.47Å; G397-V404 WeakPolarHBondContact O-CA 3.48Å; G397-Y405 PolarHBondContact O-N 3.17Å; G397-R428 PolarHBondContact N-O 3.03Å
398L97.3Very high95.5Very high21 Ų2138.5 Ų38.511%0.1123%0.229CC..BIsolated β-bridgetrans-94.1131.9174-66.4175000109.8L355 V380 E381 D403 V404 Y429L355-L398 WeakPolarHBondContact CD2-O 3.23Å; V380-L398 CarbonylContact C-O 3.54Å; V380-L398 WeakPolarHBondContact CA-O 3.25Å; E381-L398 HydrophobicContact CG-CB 3.94Å; E381-L398 PolarHBondContact N-O 3.3Å; E381-L398 PolarHBondContact O-N 2.89Å; L398-D403 WeakPolarHBondContact CA-O 3.36Å; L398-V404 HydrophobicContact CD2-CG2 4.21Å; L398-Y429 HydrophobicContact CD1-CD1 4.42Å; L398-Y429 HydrophobicContact CD1-CD2 4.27Å; L398-Y429 HydrophobicContact CD1-CG 4.13Å; L398-Y429 HydrophobicContact CD2-CD1 3.45Å; L398-Y429 VanDerWaalsContact CD2-CD1 3.45Å; L398-Y429 HydrophobicContact CD2-CE1 4.01Å; L398-Y429 HydrophobicContact CD2-CG 3.83Å; L398-Y429 HydrophobicContact CG-CD1 3.94Å; L398-Y429 HydrophobicContact CG-CD2 4.38Å; L398-Y429 HydrophobicContact CG-CG 3.76Å
399D95.8Very high95.7Very high20 Ų2037 Ų3711%0.10722%0.222CC..  trans-88.9-178175.179.51.9000112.7L355 R378 N401 G402 D403L355-D399 VanDerWaalsContact CD2-C 3.46Å; R378-D399 HydrophobicContact CG-CB 4.43Å; D399-N401 PolarHBondContact O-N 3.43Å; D399-N401 VanDerWaalsContact O-N 3.15Å; D399-N401 WeakPolarHBondContact OD1-CA 3.45Å; D399-N401 WeakPolarHBondContact OD1-CB 3.33Å; D399-N401 PolarHBondContact OD1-N 3.43Å; D399-G402 PolarHBondContact O-N 2.86Å; D399-G402 PolarHBondContact OD1-N 2.95Å; D399-D403 PolarHBondContact N-O 3.43Å; D399-D403 PolarHBondContact OD1-N 2.92Å
400E92.8Very high96.1Very high132 Ų13237.7 Ų37.762%0.61721%0.206SC*.THydrogen-bonded Turntrans-60-22.5-179.1-68.8170.9-174.800114L355 A379 G402L355-E400 HydrophobicContact CB-CG 3.93Å; A379-E400 HydrophobicContact CB-CG 4.23Å; E400-G402 VanDerWaalsContact C-N 3.33Å
401N92.1Very high96.4Very high128 Ų12832.6 Ų32.668%0.68418%0.18SC*.THydrogen-bonded Turntrans-88.3-5.5177-54-58.3000112.1D399D399-N401 PolarHBondContact O-N 3.43Å; D399-N401 VanDerWaalsContact O-N 3.15Å; D399-N401 WeakPolarHBondContact OD1-CA 3.45Å; D399-N401 WeakPolarHBondContact OD1-CB 3.33Å; D399-N401 PolarHBondContact OD1-N 3.43Å
402G91.5Very high96.5Very high51 Ų5132.5 Ų32.553%0.52618%0.179SC..SBendtrans76.311.6-16900000113.1D399 E400D399-G402 PolarHBondContact O-N 2.86Å; D399-G402 PolarHBondContact OD1-N 2.95Å; E400-G402 VanDerWaalsContact C-N 3.33Å
403D96.1Very high96.4Very high104 Ų10434 Ų3456%0.55619%0.188SC*.  trans-84.7151.5175.5-74.1-41.8000110.3L398 D399 Y405L398-D403 WeakPolarHBondContact CA-O 3.36Å; D399-D403 PolarHBondContact N-O 3.43Å; D399-D403 PolarHBondContact OD1-N 2.92Å; D403-Y405 PolarHBondContact O-N 3.34Å
404V96.7Very high96.2Very high58 Ų5842.3 Ų42.335%0.35223%0.225SC..BIsolated β-bridgetrans-79.3112.5178.5-170.80000109.5G397 L398 P427 R428 Y429G397-V404 WeakPolarHBondContact O-CA 3.48Å; L398-V404 HydrophobicContact CD2-CG2 4.21Å; V404-P427 VanDerWaalsContact CG1-C 3.46Å; V404-P427 HydrophobicContact CG1-CB 3.98Å; V404-R428 VanDerWaalsContact CG1-CA 3.45Å; V404-R428 VanDerWaalsContact CG1-N 3.33Å; V404-Y429 HydrophobicContact CG2-CD1 3.94Å; V404-Y429 HydrophobicContact CG2-CE1 4.39Å
405Y97.3Very high96.1Very high36 Ų3647.3 Ų47.314%0.14125%0.248CC..  trans-72.9136175.8-174.5-124.9000110.3R378 V380 C396 G397 D403 G407 Q409R378-Y405 HydrophobicContact CB-CD1 4.16Å; R378-Y405 HydrophobicContact CB-CE1 3.8Å; R378-Y405 HydrophobicContact CB-CE2 4.29Å; R378-Y405 HydrophobicContact CG-CD1 4.13Å; R378-Y405 HydrophobicContact CG-CD2 4.06Å; R378-Y405 HydrophobicContact CG-CE1 4.21Å; R378-Y405 HydrophobicContact CG-CE2 4.18Å; R378-Y405 HydrophobicContact CG-CG 4.05Å; V380-Y405 HydrophobicContact CG1-CD1 3.95Å; V380-Y405 HydrophobicContact CG1-CG 4.3Å; C396-Y405 WeakPolarHBondContact CA-O 3.29Å; C396-Y405 VanDerWaalsContact CB-O 3.23Å; C396-Y405 WeakPolarHBondContact CB-O 3.2Å; G397-Y405 PolarHBondContact O-N 3.17Å; D403-Y405 PolarHBondContact O-N 3.34Å; Y405-G407 VanDerWaalsContact CE1-CA 3.5Å; Y405-Q409 HydrophobicContact CE1-CG 3.84Å
406A97Very high96.1Very high24 Ų2449.7 Ų49.720%0.19826%0.26CS..  trans-96.4-13.8-178.500000114.3N423 S424 P427A406-N423 HydrophobicContact CB-CB 4.34Å; A406-N423 CarbonylContact O-C 3.59Å; A406-N423 WeakPolarHBondContact O-CA 3.03Å; A406-S424 PolarHBondContact O-N 3.38Å; A406-P427 HydrophobicContact CB-CB 3.64Å; A406-P427 HydrophobicContact CB-CG 4.01Å
407G96.9Very high96.1Very high0 Ų055.5 Ų55.50%029%0.287CS..EExtended strand (participates in β ladder)trans-69.9143-17200000113.1C396 Y405 N423C396-G407 PolarHBondContact N-O 3.1Å; C396-G407 VanDerWaalsContact N-O 3.16Å; Y405-G407 VanDerWaalsContact CE1-CA 3.5Å; G407-N423 WeakPolarHBondContact CA-OD1 2.86Å
408I97.5Very high96.2Very high1 Ų157.1 Ų57.11%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-96.9103.2164-48.9-55.1000106.8Y393 A395 V420 V421 S422 L440 L442 W457Y393-I408 HydrophobicContact CD1-CG2 4.21Å; A395-I408 HydrophobicContact CB-CD1 3.56Å; I408-V420 WeakPolarHBondContact O-CA 3.26Å; I408-V421 HydrophobicContact CB-CG2 3.99Å; I408-V421 HydrophobicContact CG2-CG2 3.86Å; I408-V421 WeakPolarHBondContact O-CG2 3.24Å; I408-V421 PolarHBondContact O-N 3.09Å; I408-S422 PolarHBondContact N-O 3.12Å; I408-L440 HydrophobicContact CG2-CD1 4.4Å; I408-L442 HydrophobicContact CD1-CD1 4.24Å; I408-W457 HydrophobicContact CD1-CH2 3.94Å; I408-W457 HydrophobicContact CD1-CZ2 4.19Å; I408-W457 HydrophobicContact CG1-CH2 4.04Å; I408-W457 HydrophobicContact CG1-CZ2 3.81Å
409Q97.9Very high96.2Very high0 Ų058.7 Ų58.70%030%0.302CS..EExtended strand (participates in β ladder)trans-87.1131.4-179.7-49.2-17570.800108.7R378 Y393 V394 Y405 W418 D419R378-Q409 PolarHBondContact O-NE2 3.31Å; R378-Q409 PolarHBondContact O-OE1 2.92Å; Y393-Q409 CarbonylContact C-O 3.54Å; Y393-Q409 VanDerWaalsContact CA-O 3.29Å; Y393-Q409 WeakPolarHBondContact CA-O 3.23Å; V394-Q409 HydrophobicContact CB-CB 4.35Å; V394-Q409 PolarHBondContact N-O 3.42Å; V394-Q409 PolarHBondContact O-N 3Å; Y405-Q409 HydrophobicContact CE1-CG 3.84Å; Q409-W418 HydrophobicContact CB-CE3 3.85Å; Q409-W418 HydrophobicContact CB-CZ3 3.77Å; Q409-D419 CarbonylContact C-O 3.58Å; Q409-D419 WeakPolarHBondContact CA-O 3.32Å
410R97.9Very high96.3Very high72 Ų7260.4 Ų60.427%0.27231%0.313SS..EExtended strand (participates in β ladder)trans-116.7134.2177.3175.9-17467.7-175.46.3109.4C391 I392 Y393 V412 W418 D419 V421C391-R410 HydrophobicContact CB-CG 4.03Å; I392-R410 CarbonylContact O-C 3.57Å; I392-R410 WeakPolarHBondContact O-CA 3.32Å; Y393-R410 HydrophobicContact CD1-CB 3.82Å; Y393-R410 HydrophobicContact CD1-CG 4.01Å; Y393-R410 HydrophobicContact CE1-CB 3.66Å; Y393-R410 HydrophobicContact CE1-CG 3.5Å; Y393-R410 VanDerWaalsContact CE1-CG 3.5Å; Y393-R410 HydrophobicContact CE2-CG 4.35Å; Y393-R410 VanDerWaalsContact OH-CD 3.25Å; Y393-R410 WeakPolarHBondContact OH-CD 3.45Å; R410-V412 HydrophobicContact CG-CG2 4.42Å; R410-W418 VanDerWaalsContact C-CE3 3.44Å; R410-W418 CarbonylContact O-C 3.52Å; R410-W418 VanDerWaalsContact O-CA 3.27Å; R410-W418 WeakPolarHBondContact O-CA 3.42Å; R410-D419 WeakPolarHBondContact CB-OD1 3.34Å; R410-D419 IonicContact CZ-OD1 2.7Å; R410-D419 IonicContact CZ-OD2 2.76Å; R410-D419 PolarHBondContact N-O 3.19Å; R410-D419 IonicContact NE-OD1 3.45Å; R410-D419 PolarHBondContact NE-OD1 3.35Å; R410-D419 IonicContact NE-OD2 3.86Å; R410-D419 VanDerWaalsContact NH2-CG 3.34Å; R410-D419 IonicContact NH2-OD1 3.08Å; R410-D419 PolarHBondContact NH2-OD1 2.82Å; R410-D419 IonicContact NH2-OD2 3.72Å; R410-D419 PolarHBondContact NH2-OD2 3.5Å; R410-D419 PolarHBondContact O-N 2.74Å; R410-V421 HydrophobicContact CB-CG1 3.73Å; R410-V421 HydrophobicContact CB-CG2 4.48Å; R410-V421 HydrophobicContact CG-CG1 4.45Å
411Y98.3Very high96.5Very high4 Ų456 Ų562%0.01630%0.295CS..EExtended strand (participates in β ladder)trans-106.4121.3170.2-178.2-122.3000109.9Y345 V373 C391 I392 V413 D416 Q417 W418Y345-Y411 HydrophobicContact CD1-CE1 4.4Å; Y345-Y411 AromaticContact CE1-CE1 3.9Å; Y345-Y411 HydrophobicContact CE1-CE1 3.9Å; V373-Y411 HydrophobicContact CG2-CE1 4.49Å; C391-Y411 VanDerWaalsContact CA-O 3.23Å; C391-Y411 WeakPolarHBondContact CA-O 3.36Å; I392-Y411 HydrophobicContact CD1-CD1 4.23Å; I392-Y411 PolarHBondContact N-O 2.85Å; I392-Y411 PolarHBondContact O-N 3.32Å; Y411-V413 HydrophobicContact CD1-CG2 3.9Å; Y411-V413 HydrophobicContact CE1-CB 4.34Å; Y411-V413 HydrophobicContact CE1-CG2 3.84Å; Y411-D416 WeakPolarHBondContact CE2-OD1 3.42Å; Y411-D416 PolarHBondContact OH-OD1 3.18Å; Y411-Q417 WeakPolarHBondContact CA-O 3.45Å; Y411-Q417 WeakPolarHBondContact CD2-O 3.45Å; Y411-W418 VanDerWaalsContact CB-CZ2 3.47Å; Y411-W418 AromaticContact CD2-CD1 3.52Å; Y411-W418 AromaticContact CD2-CD2 3.93Å; Y411-W418 HydrophobicContact CD2-CD2 3.93Å; Y411-W418 AromaticContact CD2-CE2 3.5Å; Y411-W418 VanDerWaalsContact CD2-CE2 3.5Å; Y411-W418 AromaticContact CD2-CG 3.96Å; Y411-W418 HydrophobicContact CD2-CG 3.96Å; Y411-W418 HydrophobicContact CD2-CZ2 4.07Å; Y411-W418 AromaticContact CD2-NE1 3.21Å; Y411-W418 AromaticContact CE2-NE1 3.77Å; Y411-W418 HydrophobicContact CG-CD2 4.22Å; Y411-W418 AromaticContact CG-CE2 3.71Å; Y411-W418 HydrophobicContact CG-CH2 4.42Å; Y411-W418 AromaticContact CG-CZ2 3.82Å; Y411-W418 HydrophobicContact CG-CZ2 3.82Å; Y411-W418 AromaticContact CG-NE1 3.89Å
412V97.1Very high96.7Very high18 Ų1850.6 Ų50.611%0.10927%0.267CS..EExtended strand (participates in β ladder)trans-95104.1173.7-170.90000108.8R410 K414 E415 D416 Q417R410-V412 HydrophobicContact CG-CG2 4.42Å; V412-K414 VanDerWaalsContact C-N 3.25Å; V412-K414 PolarHBondContact O-N 2.88Å; V412-E415 HydrophobicContact CB-CB 4.48Å; V412-E415 WeakPolarHBondContact CB-OE2 3.48Å; V412-E415 HydrophobicContact CG1-CB 4.46Å; V412-E415 WeakPolarHBondContact CG1-OE2 3.37Å; V412-E415 PolarHBondContact O-N 2.77Å; V412-E415 VanDerWaalsContact O-N 3.12Å; V412-D416 PolarHBondContact O-N 3.07Å; V412-Q417 PolarHBondContact N-O 3Å; V412-Q417 PolarHBondContact O-N 2.93Å
413V95.4Very high96.9Very high31 Ų3152.9 Ų52.919%0.18827%0.268CS..THydrogen-bonded Turntrans-57.3-38.4-170.9174.60000112.6L340 Y345 M390 I392 Y411 E415 D416L340-V413 HydrophobicContact CD2-CG2 3.64Å; Y345-V413 WeakPolarHBondContact OH-CG1 3.32Å; M390-V413 WeakPolarHBondContact O-CB 3.4Å; M390-V413 WeakPolarHBondContact O-CG2 3.47Å; M390-V413 PolarHBondContact O-N 3.04Å; I392-V413 HydrophobicContact CD1-CG2 4.49Å; Y411-V413 HydrophobicContact CD1-CG2 3.9Å; Y411-V413 HydrophobicContact CE1-CB 4.34Å; Y411-V413 HydrophobicContact CE1-CG2 3.84Å; V413-E415 VanDerWaalsContact C-N 3.31Å; V413-E415 PolarHBondContact O-N 2.74Å; V413-D416 PolarHBondContact O-N 3.43Å
414K94.6Very high96.9Very high183 Ų18348.3 Ų48.380%0.79624%0.244SC*.THydrogen-bonded Turntrans-67.1-33.5-176.9-173.2-177.6176.7-173.10112.8V412V412-K414 VanDerWaalsContact C-N 3.25Å; V412-K414 PolarHBondContact O-N 2.88Å
415E95.9Very high96.8Very high106 Ų10648.8 Ų48.850%0.49525%0.248SC..THydrogen-bonded Turntrans-98.1-8.6-176.4-71.7127.6-147.500112.7V412 V413 Q417V412-E415 HydrophobicContact CB-CB 4.48Å; V412-E415 WeakPolarHBondContact CB-OE2 3.48Å; V412-E415 HydrophobicContact CG1-CB 4.46Å; V412-E415 WeakPolarHBondContact CG1-OE2 3.37Å; V412-E415 PolarHBondContact O-N 2.77Å; V412-E415 VanDerWaalsContact O-N 3.12Å; V413-E415 VanDerWaalsContact C-N 3.31Å; V413-E415 PolarHBondContact O-N 2.74Å; E415-Q417 VanDerWaalsContact C-N 3.28Å; E415-Q417 HydrophobicContact CB-CB 4.21Å; E415-Q417 HydrophobicContact CB-CG 4.4Å; E415-Q417 PolarHBondContact O-N 2.91Å
416D96.6Very high96.6Very high55 Ų5551.1 Ų51.129%0.29426%0.259SS..THydrogen-bonded Turntrans48.752.4-170.4-176.521.9000110.3N374 Y411 V412 V413N374-D416 VanDerWaalsContact CB-OD1 3.31Å; N374-D416 WeakPolarHBondContact CB-OD1 3.47Å; N374-D416 PolarHBondContact N-OD1 3.22Å; N374-D416 PolarHBondContact ND2-O 3.42Å; N374-D416 PolarHBondContact ND2-OD2 3.29Å; Y411-D416 WeakPolarHBondContact CE2-OD1 3.42Å; Y411-D416 PolarHBondContact OH-OD1 3.18Å; V412-D416 PolarHBondContact O-N 3.07Å; V413-D416 PolarHBondContact O-N 3.43Å
417Q97.5Very high96.4Very high121 Ų12151.6 Ų51.657%0.56526%0.26SS*.EExtended strand (participates in β ladder)trans-135.3144.1-174.7-82.5175.55200112.1Y411 V412 E415Y411-Q417 WeakPolarHBondContact CA-O 3.45Å; Y411-Q417 WeakPolarHBondContact CD2-O 3.45Å; V412-Q417 PolarHBondContact N-O 3Å; V412-Q417 PolarHBondContact O-N 2.93Å; E415-Q417 VanDerWaalsContact C-N 3.28Å; E415-Q417 HydrophobicContact CB-CB 4.21Å; E415-Q417 HydrophobicContact CB-CG 4.4Å; E415-Q417 PolarHBondContact O-N 2.91Å
418W98.3Very high96.3Very high34 Ų3457.1 Ų57.113%0.12928%0.281CS..EExtended strand (participates in β ladder)trans-109139.1175.2-75.293.2000111.5L347 V359 N374 M376 V377 V394 Q409 R410 Y411L347-W418 HydrophobicContact CD2-CH2 3.91Å; L347-W418 HydrophobicContact CD2-CZ2 3.76Å; V359-W418 HydrophobicContact CG2-CZ2 3.81Å; N374-W418 VanDerWaalsContact O-CD1 3.3Å; N374-W418 PolarHBondContact O-NE1 2.81Å; M376-W418 HydrophobicContact CG-CD2 4.37Å; M376-W418 HydrophobicContact CG-CE3 4.48Å; M376-W418 HydrophobicContact CG-CH2 3.74Å; M376-W418 HydrophobicContact CG-CZ2 3.6Å; M376-W418 HydrophobicContact CG-CZ3 4.18Å; M376-W418 HydrophobicContact SD-CH2 4.19Å; V377-W418 HydrophobicContact CG2-CB 3.76Å; V394-W418 HydrophobicContact CB-CZ3 4.48Å; V394-W418 HydrophobicContact CG2-CH2 3.73Å; V394-W418 HydrophobicContact CG2-CZ3 4.03Å; Q409-W418 HydrophobicContact CB-CE3 3.85Å; Q409-W418 HydrophobicContact CB-CZ3 3.77Å; R410-W418 VanDerWaalsContact C-CE3 3.44Å; R410-W418 CarbonylContact O-C 3.52Å; R410-W418 VanDerWaalsContact O-CA 3.27Å; R410-W418 WeakPolarHBondContact O-CA 3.42Å; Y411-W418 VanDerWaalsContact CB-CZ2 3.47Å; Y411-W418 AromaticContact CD2-CD1 3.52Å; Y411-W418 AromaticContact CD2-CD2 3.93Å; Y411-W418 HydrophobicContact CD2-CD2 3.93Å; Y411-W418 AromaticContact CD2-CE2 3.5Å; Y411-W418 VanDerWaalsContact CD2-CE2 3.5Å; Y411-W418 AromaticContact CD2-CG 3.96Å; Y411-W418 HydrophobicContact CD2-CG 3.96Å; Y411-W418 HydrophobicContact CD2-CZ2 4.07Å; Y411-W418 AromaticContact CD2-NE1 3.21Å; Y411-W418 AromaticContact CE2-NE1 3.77Å; Y411-W418 HydrophobicContact CG-CD2 4.22Å; Y411-W418 AromaticContact CG-CE2 3.71Å; Y411-W418 HydrophobicContact CG-CH2 4.42Å; Y411-W418 AromaticContact CG-CZ2 3.82Å; Y411-W418 HydrophobicContact CG-CZ2 3.82Å; Y411-W418 AromaticContact CG-NE1 3.89Å
419D97.6Very high96Very high54 Ų5461.5 Ų61.529%0.28930%0.298SS..EExtended strand (participates in β ladder)trans-138.2168.3169.167.8-35.3000111.7Q409 R410Q409-D419 CarbonylContact C-O 3.58Å; Q409-D419 WeakPolarHBondContact CA-O 3.32Å; R410-D419 WeakPolarHBondContact CB-OD1 3.34Å; R410-D419 IonicContact CZ-OD1 2.7Å; R410-D419 IonicContact CZ-OD2 2.76Å; R410-D419 PolarHBondContact N-O 3.19Å; R410-D419 IonicContact NE-OD1 3.45Å; R410-D419 PolarHBondContact NE-OD1 3.35Å; R410-D419 IonicContact NE-OD2 3.86Å; R410-D419 VanDerWaalsContact NH2-CG 3.34Å; R410-D419 IonicContact NH2-OD1 3.08Å; R410-D419 PolarHBondContact NH2-OD1 2.82Å; R410-D419 IonicContact NH2-OD2 3.72Å; R410-D419 PolarHBondContact NH2-OD2 3.5Å; R410-D419 PolarHBondContact O-N 2.74Å
420V97.4Very high95.7Very high57 Ų5764.6 Ų64.635%0.34532%0.315SS..EExtended strand (participates in β ladder)trans-109.5111.5173.2-177.60000107.6V377 I408V377-V420 HydrophobicContact CB-CG2 4.1Å; V377-V420 HydrophobicContact CG1-CG2 3.97Å; V377-V420 HydrophobicContact CG2-CG2 4.06Å; I408-V420 WeakPolarHBondContact O-CA 3.26Å
421V96.1Very high95.4Very high39 Ų3961.9 Ų61.924%0.23631%0.305CS..EExtended strand (participates in β ladder)trans-89.2-27.7-169.9-65.10000113.5Y393 I408 R410 F450Y393-V421 HydrophobicContact CD1-CG2 4.5Å; Y393-V421 HydrophobicContact CE1-CG2 4.34Å; I408-V421 HydrophobicContact CB-CG2 3.99Å; I408-V421 HydrophobicContact CG2-CG2 3.86Å; I408-V421 WeakPolarHBondContact O-CG2 3.24Å; I408-V421 PolarHBondContact O-N 3.09Å; R410-V421 HydrophobicContact CB-CG1 3.73Å; R410-V421 HydrophobicContact CB-CG2 4.48Å; R410-V421 HydrophobicContact CG-CG1 4.45Å; V421-F450 HydrophobicContact CG2-CE1 4.2Å
422S96.3Very high95.1Very high15 Ų1562.6 Ų62.611%0.10531%0.31CS..EExtended strand (participates in β ladder)trans-164.1172.9179-160.60000109.9I408 F450 D455 W457I408-S422 PolarHBondContact N-O 3.12Å; S422-F450 VanDerWaalsContact CB-CZ 3.41Å; S422-D455 VanDerWaalsContact CB-OD1 3.29Å; S422-D455 WeakPolarHBondContact CB-OD1 3.43Å; S422-D455 PolarHBondContact OG-OD1 2.86Å; S422-W457 PolarHBondContact OG-NE1 3.15Å; S422-W457 VanDerWaalsContact OG-NE1 3.09Å
423N96.6Very high95Very high99 Ų9962.4 Ų62.453%0.52931%0.31SS..EExtended strand (participates in β ladder)trans-120.9132171.7-67.2-73.4000109.7A406 G407A406-N423 HydrophobicContact CB-CB 4.34Å; A406-N423 CarbonylContact O-C 3.59Å; A406-N423 WeakPolarHBondContact O-CA 3.03Å; G407-N423 WeakPolarHBondContact CA-OD1 2.86Å
424S95.2Very high95Very high7 Ų761.6 Ų61.65%0.04931%0.305CS..  trans-61.9132.1176.7177.40000110.5A406 F426A406-S424 PolarHBondContact O-N 3.38Å; S424-F426 PolarHBondContact O-N 3.24Å; S424-F426 VanDerWaalsContact OG-C 3.28Å; S424-F426 PolarHBondContact OG-N 3.24Å; S424-F426 PolarHBondContact OG-O 3.1Å
425P95.2Very high95Very high68 Ų6855 Ų5544%0.44228%0.277SS..SBendtrans-67.4-21172.626.3-32.7000112.6L448 W457P425-L448 HydrophobicContact CG-CD1 4.4Å; P425-W457 VanDerWaalsContact CD-CD2 3.46Å; P425-W457 HydrophobicContact CG-CB 4.19Å; P425-W457 HydrophobicContact CG-CD2 4.1Å; P425-W457 HydrophobicContact CG-CE3 4.26Å; P425-W457 HydrophobicContact CG-CG 4.07Å
426F93Very high94.7Very high85 Ų8550 Ų5037%0.37325%0.254SS..SBendtrans-131.573.9177.8-58.1-82.5000109.9S424 L448 I459S424-F426 PolarHBondContact O-N 3.24Å; S424-F426 VanDerWaalsContact OG-C 3.28Å; S424-F426 PolarHBondContact OG-N 3.24Å; S424-F426 PolarHBondContact OG-O 3.1Å; F426-L448 HydrophobicContact CB-CD1 4.32Å; F426-L448 HydrophobicContact CD2-CD1 4.33Å; F426-L448 HydrophobicContact CD2-CD2 3.95Å; F426-L448 HydrophobicContact CE2-CD2 4.47Å; F426-I459 HydrophobicContact CE2-CD1 3.79Å; F426-I459 HydrophobicContact CE2-CG1 4.31Å; F426-I459 HydrophobicContact CZ-CD1 4.24Å
427P93.3Very high94.1Very high34 Ų3449.3 Ų49.322%0.22125%0.25CS..  trans-67.5137-175.631.2-37.4000111V404 A406V404-P427 VanDerWaalsContact CG1-C 3.46Å; V404-P427 HydrophobicContact CG1-CB 3.98Å; A406-P427 HydrophobicContact CB-CB 3.64Å; A406-P427 HydrophobicContact CB-CG 4.01Å
428R93.6Very high93.6Very high116 Ų11644.4 Ų44.444%0.43823%0.232SC..  trans-148.8167.3-178.4-66.6-64.3-176-91.50111.2C396 G397 V404 L431C396-R428 WeakPolarHBondContact CB-O 3.24Å; G397-R428 PolarHBondContact N-O 3.03Å; V404-R428 VanDerWaalsContact CG1-CA 3.45Å; V404-R428 VanDerWaalsContact CG1-N 3.33Å; R428-L431 HydrophobicContact CB-CD1 3.99Å; R428-L431 HydrophobicContact CB-CD2 3.69Å; R428-L431 HydrophobicContact CB-CG 3.77Å; R428-L431 HydrophobicContact CG-CD2 4.41Å
429Y92.1Very high93.3Very high93 Ų9342.8 Ų42.837%0.36523%0.226SC..SBendtrans-115.2169.7166.563.6-89.7000109.2L398 V404 L431L398-Y429 HydrophobicContact CD1-CD1 4.42Å; L398-Y429 HydrophobicContact CD1-CD2 4.27Å; L398-Y429 HydrophobicContact CD1-CG 4.13Å; L398-Y429 HydrophobicContact CD2-CD1 3.45Å; L398-Y429 VanDerWaalsContact CD2-CD1 3.45Å; L398-Y429 HydrophobicContact CD2-CE1 4.01Å; L398-Y429 HydrophobicContact CD2-CG 3.83Å; L398-Y429 HydrophobicContact CG-CD1 3.94Å; L398-Y429 HydrophobicContact CG-CD2 4.38Å; L398-Y429 HydrophobicContact CG-CG 3.76Å; V404-Y429 HydrophobicContact CG2-CD1 3.94Å; V404-Y429 HydrophobicContact CG2-CE1 4.39Å; Y429-L431 PolarHBondContact O-N 2.85Å
430D90.8Very high93.2Very high66 Ų6640.4 Ų40.435%0.35321%0.213SC..SBendtrans54.333.9-168-61-27000112.7R382R382-D430 IonicContact CZ-OD1 2.85Å; R382-D430 IonicContact CZ-OD2 3.49Å; R382-D430 IonicContact NE-OD1 2.69Å; R382-D430 PolarHBondContact NE-OD1 2.82Å; R382-D430 IonicContact NE-OD2 3.24Å; R382-D430 VanDerWaalsContact NH2-CG 3.28Å; R382-D430 IonicContact NH2-OD1 3Å; R382-D430 PolarHBondContact NH2-OD1 3.46Å; R382-D430 IonicContact NH2-OD2 2.92Å; R382-D430 PolarHBondContact NH2-OD2 2.91Å; R382-D430 PolarHBondContact O-N 2.81Å
431L91.9Very high93.1Very high15 Ų1538.1 Ų38.18%0.07920%0.199CC..  trans-78.6156.3170-68.2-178.7000109.4A384 C396 R428 Y429 F443 G444A384-L431 HydrophobicContact CB-CB 3.67Å; A384-L431 WeakPolarHBondContact CB-O 3.27Å; C396-L431 HydrophobicContact CB-CD1 4.04Å; R428-L431 HydrophobicContact CB-CD1 3.99Å; R428-L431 HydrophobicContact CB-CD2 3.69Å; R428-L431 HydrophobicContact CB-CG 3.77Å; R428-L431 HydrophobicContact CG-CD2 4.41Å; Y429-L431 PolarHBondContact O-N 2.85Å; L431-F443 WeakPolarHBondContact CA-O 3.36Å; L431-G444 WeakPolarHBondContact CD2-O 3.44Å
432V93.6Very high93Very high19 Ų1936.5 Ų36.512%0.11519%0.188CC..EExtended strand (participates in β ladder)trans-119.4143.8165.3-58.60000108.7F443 F470 C473V432-F443 HydrophobicContact CG2-CB 3.83Å; V432-F443 HydrophobicContact CG2-CD2 4.43Å; V432-F443 PolarHBondContact N-O 2.86Å; V432-F443 PolarHBondContact O-N 3.06Å; V432-F470 HydrophobicContact CG2-CB 3.76Å; V432-C473 HydrophobicContact CB-CB 4.03Å; V432-C473 WeakPolarHBondContact CB-SG 3.48Å; V432-C473 HydrophobicContact CG2-CB 3.59Å; V432-C473 VanDerWaalsContact CG2-SG 3.57Å
433A95.1Very high92.9Very high13 Ų1335.8 Ų35.811%0.10718%0.184CC..EExtended strand (participates in β ladder)trans-131.4143.3-177.700000112.3A384 A386 Y441 L442 C473A384-A433 HydrophobicContact CB-CB 3.6Å; A386-A433 HydrophobicContact CB-CB 3.99Å; A433-Y441 VanDerWaalsContact CA-O 3.22Å; A433-Y441 WeakPolarHBondContact CA-O 3.34Å; A433-L442 HydrophobicContact CB-CD2 3.47Å; A433-L442 VanDerWaalsContact CB-CD2 3.47Å; A433-C473 PolarHBondContact N-SG 2.78Å; A433-C473 PolarHBondContact O-SG 3.32Å
434T94.9Very high92.3Very high14 Ų1431.3 Ų31.39%0.08616%0.16CC..EExtended strand (participates in β ladder)trans-140.3158.1168.4-169.10000110.1Y441 F443 N475 I480T434-Y441 PolarHBondContact N-O 3.06Å; T434-Y441 PolarHBondContact O-N 2.88Å; T434-F443 HydrophobicContact CG2-CE2 4.28Å; T434-N475 WeakPolarHBondContact OG1-CB 3.25Å; T434-N475 PolarHBondContact OG1-N 2.98Å; T434-N475 VanDerWaalsContact OG1-N 3.08Å; T434-I480 HydrophobicContact CG2-CD1 3.84Å; T434-I480 HydrophobicContact CG2-CG1 3.95Å; T434-I480 HydrophobicContact CG2-CG2 3.88Å
435E93.3Very high91.8Very high44 Ų4431.7 Ų31.721%0.20617%0.166CC..EExtended strand (participates in β ladder)trans-91.9138.8169.2-174.4-77143.800109.9A387 L388 N437 G438 A439 L440 N475A387-E435 VanDerWaalsContact O-CB 3.24Å; A387-E435 WeakPolarHBondContact O-CB 3.11Å; L388-E435 HydrophobicContact CB-CB 4.43Å; L388-E435 HydrophobicContact CB-CG 3.68Å; L388-E435 HydrophobicContact CD1-CG 3.59Å; L388-E435 HydrophobicContact CD2-CG 3.8Å; L388-E435 HydrophobicContact CG-CG 3.85Å; E435-N437 PolarHBondContact OE1-N 3.21Å; E435-N437 VanDerWaalsContact OE1-N 3.17Å; E435-G438 WeakPolarHBondContact OE1-CA 3.46Å; E435-G438 PolarHBondContact OE1-N 3.17Å; E435-A439 WeakPolarHBondContact CA-O 3.42Å; E435-L440 HydrophobicContact CB-CD2 4.41Å; E435-N475 VanDerWaalsContact O-CB 3.28Å; E435-N475 WeakPolarHBondContact O-CB 3.34Å; E435-N475 PolarHBondContact O-ND2 3.43Å
436L89.8Confident91.4Very high3 Ų331.4 Ų31.42%0.01616%0.158CC..EExtended strand (participates in β ladder)trans-152132.2164.9177.261.4000109.1G438 A439 Y441 N475 G478 I480 P500L436-G438 VanDerWaalsContact C-N 3.32Å; L436-G438 PolarHBondContact O-N 2.89Å; L436-A439 PolarHBondContact N-O 2.77Å; L436-A439 PolarHBondContact O-N 3.06Å; L436-A439 VanDerWaalsContact O-N 3.08Å; L436-Y441 HydrophobicContact CB-CD2 4.03Å; L436-Y441 HydrophobicContact CB-CE2 3.81Å; L436-Y441 HydrophobicContact CG-CE2 4.47Å; L436-Y441 WeakPolarHBondContact O-CE2 3.24Å; L436-N475 WeakPolarHBondContact CD1-ND2 3.35Å; L436-G478 WeakPolarHBondContact CD2-O 3.1Å; L436-I480 HydrophobicContact CB-CD1 4.17Å; L436-I480 HydrophobicContact CB-CG1 4.38Å; L436-I480 HydrophobicContact CD2-CD1 3.83Å; L436-I480 HydrophobicContact CD2-CG1 3.71Å; L436-P500 HydrophobicContact CD2-CG 3.65Å
437N84.8Confident91.4Very high39 Ų3927.4 Ų27.421%0.20914%0.142CC..THydrogen-bonded Turntrans56.239.5175.6-52.6-35.5000114.7E435 A439 Y501E435-N437 PolarHBondContact OE1-N 3.21Å; E435-N437 VanDerWaalsContact OE1-N 3.17Å; N437-A439 PolarHBondContact O-N 2.99Å; N437-Y501 PolarHBondContact ND2-OH 2.75Å; N437-Y501 PolarHBondContact OD1-OH 3.41Å
438G86.9Confident91.4Very high18 Ų1826 Ų2619%0.18613%0.132CC..THydrogen-bonded Turntrans71.112.6-179.500000114L388 E435 L436L388-G438 VanDerWaalsContact CD2-C 3.47Å; L388-G438 WeakPolarHBondContact CD2-O 2.96Å; E435-G438 WeakPolarHBondContact OE1-CA 3.46Å; E435-G438 PolarHBondContact OE1-N 3.17Å; L436-G438 VanDerWaalsContact C-N 3.32Å; L436-G438 PolarHBondContact O-N 2.89Å
439A91.8Very high91.4Very high0 Ų021 Ų210%011%0.113CC..EExtended strand (participates in β ladder)trans-121.7150.2176.500000111.1E435 L436 N437 Y441 R449 F450E435-A439 WeakPolarHBondContact CA-O 3.42Å; L436-A439 PolarHBondContact N-O 2.77Å; L436-A439 PolarHBondContact O-N 3.06Å; L436-A439 VanDerWaalsContact O-N 3.08Å; N437-A439 PolarHBondContact O-N 2.99Å; A439-Y441 HydrophobicContact CB-CE2 4.05Å; A439-R449 HydrophobicContact CB-CG 3.84Å; A439-F450 WeakPolarHBondContact CA-O 3.33Å; A439-F450 WeakPolarHBondContact CB-O 3.49Å
440L95.4Very high91.6Very high4 Ų416.8 Ų16.82%0.02110%0.097CC..EExtended strand (participates in β ladder)trans-92128.3173.8-61-178.7000109.4A386 L388 Y393 I408 E435 R449 F450 M452A386-L440 HydrophobicContact CB-CD2 3.86Å; L388-L440 HydrophobicContact CB-CD2 4.43Å; L388-L440 HydrophobicContact CD2-CD2 4.48Å; Y393-L440 HydrophobicContact CD1-CD1 3.66Å; Y393-L440 HydrophobicContact CD2-CD1 4.23Å; Y393-L440 HydrophobicContact CD2-CD2 4.36Å; Y393-L440 HydrophobicContact CE1-CD1 4.29Å; Y393-L440 HydrophobicContact CG-CD1 3.61Å; Y393-L440 HydrophobicContact CG-CD2 4.48Å; I408-L440 HydrophobicContact CG2-CD1 4.4Å; E435-L440 HydrophobicContact CB-CD2 4.41Å; L440-R449 CarbonylContact O-C 3.53Å; L440-R449 WeakPolarHBondContact O-CA 3.33Å; L440-F450 HydrophobicContact CB-CB 4.41Å; L440-F450 HydrophobicContact CD1-CD1 4.31Å; L440-F450 PolarHBondContact N-O 2.66Å; L440-F450 PolarHBondContact O-N 2.96Å; L440-M452 HydrophobicContact CD1-SD 4.21Å; L440-M452 HydrophobicContact CG-SD 4.17Å
441Y95Very high91.6Very high10 Ų1013.6 Ų13.64%0.0398%0.08CC..EExtended strand (participates in β ladder)trans-106.1121.4174.6-71.9-107.2000108.7A433 T434 L436 A439 F443 L448 R449 L460 I480A433-Y441 VanDerWaalsContact CA-O 3.22Å; A433-Y441 WeakPolarHBondContact CA-O 3.34Å; T434-Y441 PolarHBondContact N-O 3.06Å; T434-Y441 PolarHBondContact O-N 2.88Å; L436-Y441 HydrophobicContact CB-CD2 4.03Å; L436-Y441 HydrophobicContact CB-CE2 3.81Å; L436-Y441 HydrophobicContact CG-CE2 4.47Å; L436-Y441 WeakPolarHBondContact O-CE2 3.24Å; A439-Y441 HydrophobicContact CB-CE2 4.05Å; Y441-F443 HydrophobicContact CD1-CZ 4.02Å; Y441-F443 HydrophobicContact CG-CZ 4.29Å; Y441-L448 CarbonylContact C-O 3.56Å; Y441-L448 WeakPolarHBondContact CA-O 3.38Å; Y441-R449 HydrophobicContact CD1-CB 4.34Å; Y441-R449 HydrophobicContact CE1-CB 4.13Å; Y441-R449 HydrophobicContact CE1-CG 4.11Å; Y441-R449 HydrophobicContact CE2-CG 4.08Å; Y441-R449 WeakPolarHBondContact OH-CD 3.31Å; Y441-R449 PolarHBondContact OH-NE 2.78Å; Y441-L460 HydrophobicContact CD1-CD1 3.61Å; Y441-L460 HydrophobicContact CE1-CD1 3.76Å; Y441-I480 HydrophobicContact CD1-CD1 3.72Å; Y441-I480 HydrophobicContact CD2-CD1 4.02Å; Y441-I480 HydrophobicContact CE1-CD1 4.16Å; Y441-I480 HydrophobicContact CE2-CD1 4.45Å; Y441-I480 HydrophobicContact CG-CD1 3.64Å
442L94.8Very high91.5Very high4 Ų415.6 Ų15.62%0.0219%0.089CC..EExtended strand (participates in β ladder)trans-108.3131176.2-56.9-178.1000109.5A384 A395 I408 A433 A447 L448 W457A384-L442 HydrophobicContact CB-CD2 4.46Å; A395-L442 HydrophobicContact CB-CD1 4.04Å; A395-L442 HydrophobicContact CB-CD2 3.67Å; I408-L442 HydrophobicContact CD1-CD1 4.24Å; A433-L442 HydrophobicContact CB-CD2 3.47Å; A433-L442 VanDerWaalsContact CB-CD2 3.47Å; L442-A447 WeakPolarHBondContact O-CA 3.36Å; L442-L448 HydrophobicContact CB-CB 4.4Å; L442-L448 PolarHBondContact N-O 3.18Å; L442-L448 PolarHBondContact O-N 2.86Å; L442-W457 HydrophobicContact CD1-CH2 3.78Å; L442-W457 HydrophobicContact CD1-CZ3 3.86Å
443F93.2Very high91.2Very high1 Ų117.9 Ų17.90%0.00410%0.099CC..EExtended strand (participates in β ladder)trans-127134.1178.9-53.4-85.1000111.3L431 V432 T434 Y441 A447 L460 L465 F470 C473 I480 L482 L498L431-F443 WeakPolarHBondContact CA-O 3.36Å; V432-F443 HydrophobicContact CG2-CB 3.83Å; V432-F443 HydrophobicContact CG2-CD2 4.43Å; V432-F443 PolarHBondContact N-O 2.86Å; V432-F443 PolarHBondContact O-N 3.06Å; T434-F443 HydrophobicContact CG2-CE2 4.28Å; Y441-F443 HydrophobicContact CD1-CZ 4.02Å; Y441-F443 HydrophobicContact CG-CZ 4.29Å; F443-A447 HydrophobicContact CD1-CB 3.79Å; F443-A447 HydrophobicContact CE1-CB 4.08Å; F443-L460 HydrophobicContact CE1-CD1 4.48Å; F443-L465 HydrophobicContact CD1-CD1 4.39Å; F443-L465 HydrophobicContact CD1-CD2 4.4Å; F443-L465 HydrophobicContact CE1-CD1 4.03Å; F443-L465 HydrophobicContact CE1-CD2 4.43Å; F443-F470 HydrophobicContact CB-CD2 3.79Å; F443-F470 HydrophobicContact CB-CE2 4.24Å; F443-C473 HydrophobicContact CD2-CB 4.37Å; F443-I480 HydrophobicContact CE2-CD1 4.3Å; F443-I480 HydrophobicContact CE2-CG2 3.89Å; F443-I480 HydrophobicContact CZ-CD1 3.98Å; F443-I480 HydrophobicContact CZ-CG2 4Å; F443-L482 HydrophobicContact CB-CD2 4.36Å; F443-L482 HydrophobicContact CD1-CD1 3.76Å; F443-L482 HydrophobicContact CD1-CD2 4.23Å; F443-L482 HydrophobicContact CD2-CD2 3.53Å; F443-L482 HydrophobicContact CE1-CD1 3.88Å; F443-L482 HydrophobicContact CE1-CD2 4.43Å; F443-L482 HydrophobicContact CE2-CD2 3.74Å; F443-L482 HydrophobicContact CG-CD1 4.11Å; F443-L482 HydrophobicContact CG-CD2 3.78Å; F443-L482 HydrophobicContact CZ-CD1 4.31Å; F443-L482 HydrophobicContact CZ-CD2 4.19Å; F443-L498 HydrophobicContact CE1-CD2 3.68Å; F443-L498 HydrophobicContact CZ-CD2 3.73Å
444G85.6Confident90.9Very high4 Ų417.8 Ų17.84%0.04110%0.097CC..SBendtrans151.8101175.100000110.7L431 Q446L431-G444 WeakPolarHBondContact CD2-O 3.44Å; G444-Q446 PolarHBondContact O-N 3.48Å
445G84Confident90.6Very high16 Ų1621.4 Ų21.417%0.16512%0.115CC..SBendtrans77.4-61.4-17200000112.8R467 K468G445-R467 VanDerWaalsContact O-CA 3.29Å; G445-R467 WeakPolarHBondContact O-CA 3.32Å; G445-R467 PolarHBondContact O-N 2.84Å; G445-K468 PolarHBondContact N-O 2.86Å
446Q87.4Confident90.5Very high61 Ų6122.6 Ų22.629%0.28512%0.121SC..SBendtrans-118.7137.5172.4-164.570.440.800109.2G444 L448 I459G444-Q446 PolarHBondContact O-N 3.48Å; Q446-L448 HydrophobicContact CG-CD2 4.12Å; Q446-I459 HydrophobicContact CG-CG2 4.15Å
447A91.9Very high90.7Very high2 Ų225.2 Ų25.22%0.01713%0.131CC..  trans-91.4127.9173.600000110.2L442 F443 L460 L465L442-A447 WeakPolarHBondContact O-CA 3.36Å; F443-A447 HydrophobicContact CD1-CB 3.79Å; F443-A447 HydrophobicContact CE1-CB 4.08Å; A447-L460 HydrophobicContact CB-CB 3.88Å; A447-L460 HydrophobicContact CB-CD1 4.3Å; A447-L460 PolarHBondContact O-N 3.04Å; A447-L465 HydrophobicContact CB-CB 3.98Å; A447-L465 HydrophobicContact CB-CD1 3.57Å; A447-L465 HydrophobicContact CB-CG 4.37Å
448L93.6Very high91Very high4 Ų425.7 Ų25.72%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-129138.7-175.9-59.4174000110.2P425 F426 Y441 L442 Q446 W457 T458 I459P425-L448 HydrophobicContact CG-CD1 4.4Å; F426-L448 HydrophobicContact CB-CD1 4.32Å; F426-L448 HydrophobicContact CD2-CD1 4.33Å; F426-L448 HydrophobicContact CD2-CD2 3.95Å; F426-L448 HydrophobicContact CE2-CD2 4.47Å; Y441-L448 CarbonylContact C-O 3.56Å; Y441-L448 WeakPolarHBondContact CA-O 3.38Å; L442-L448 HydrophobicContact CB-CB 4.4Å; L442-L448 PolarHBondContact N-O 3.18Å; L442-L448 PolarHBondContact O-N 2.86Å; Q446-L448 HydrophobicContact CG-CD2 4.12Å; L448-W457 HydrophobicContact CB-CE3 3.94Å; L448-W457 HydrophobicContact CB-CZ3 3.88Å; L448-W457 HydrophobicContact CD1-CE3 4.08Å; L448-W457 HydrophobicContact CD1-CZ3 3.87Å; L448-W457 HydrophobicContact CG-CE3 4.49Å; L448-W457 HydrophobicContact CG-CZ3 4.5Å; L448-T458 WeakPolarHBondContact CA-O 3.37Å; L448-I459 HydrophobicContact CD2-CG1 3.95Å
449R94.1Very high91.2Very high11 Ų1128.1 Ų28.14%0.04214%0.143CC..EExtended strand (participates in β ladder)trans-108.6128.4166.2179.3-172.6177.4-80.9-0.5108.6A439 L440 Y441 D451 W457 T458 L460A439-R449 HydrophobicContact CB-CG 3.84Å; L440-R449 CarbonylContact O-C 3.53Å; L440-R449 WeakPolarHBondContact O-CA 3.33Å; Y441-R449 HydrophobicContact CD1-CB 4.34Å; Y441-R449 HydrophobicContact CE1-CB 4.13Å; Y441-R449 HydrophobicContact CE1-CG 4.11Å; Y441-R449 HydrophobicContact CE2-CG 4.08Å; Y441-R449 WeakPolarHBondContact OH-CD 3.31Å; Y441-R449 PolarHBondContact OH-NE 2.78Å; R449-D451 IonicContact CZ-OD2 2.78Å; R449-D451 IonicContact NH1-OD2 3.43Å; R449-D451 PolarHBondContact NH1-OD2 2.88Å; R449-D451 VanDerWaalsContact NH1-OD2 3.15Å; R449-D451 IonicContact NH2-OD2 3.46Å; R449-D451 PolarHBondContact NH2-OD2 3.04Å; R449-W457 WeakPolarHBondContact O-CA 3.26Å; R449-T458 PolarHBondContact N-O 2.86Å; R449-T458 PolarHBondContact O-N 2.85Å; R449-L460 HydrophobicContact CB-CD1 4.46Å; R449-L460 HydrophobicContact CB-CD2 4.26Å; R449-L460 HydrophobicContact CB-CG 4.44Å
450F94.8Very high91Very high4 Ų429.9 Ų29.92%0.01815%0.152CC..EExtended strand (participates in β ladder)trans-114119.4175176-121.3000110.4V421 S422 A439 L440 M452 D455 W457V421-F450 HydrophobicContact CG2-CE1 4.2Å; S422-F450 VanDerWaalsContact CB-CZ 3.41Å; A439-F450 WeakPolarHBondContact CA-O 3.33Å; A439-F450 WeakPolarHBondContact CB-O 3.49Å; L440-F450 HydrophobicContact CB-CB 4.41Å; L440-F450 HydrophobicContact CD1-CD1 4.31Å; L440-F450 PolarHBondContact N-O 2.66Å; L440-F450 PolarHBondContact O-N 2.96Å; F450-M452 HydrophobicContact CD1-CG 4.12Å; F450-M452 HydrophobicContact CE1-CB 4.33Å; F450-M452 HydrophobicContact CE1-CG 3.98Å; F450-D455 VanDerWaalsContact CE2-OD1 3.28Å; F450-D455 WeakPolarHBondContact CE2-OD1 3.24Å; F450-W457 HydrophobicContact CB-CD2 4.13Å; F450-W457 HydrophobicContact CB-CE3 3.91Å; F450-W457 HydrophobicContact CB-CH2 3.84Å; F450-W457 HydrophobicContact CB-CZ2 4.05Å; F450-W457 HydrophobicContact CB-CZ3 3.76Å; F450-W457 HydrophobicContact CD1-CZ2 4.48Å; F450-W457 AromaticContact CD2-CD1 3.89Å; F450-W457 AromaticContact CD2-CD2 3.82Å; F450-W457 HydrophobicContact CD2-CD2 3.82Å; F450-W457 AromaticContact CD2-CE2 3.42Å; F450-W457 VanDerWaalsContact CD2-CE2 3.42Å; F450-W457 HydrophobicContact CD2-CE3 4.46Å; F450-W457 HydrophobicContact CD2-CG 4.13Å; F450-W457 HydrophobicContact CD2-CH2 4.43Å; F450-W457 AromaticContact CD2-CZ2 3.77Å; F450-W457 HydrophobicContact CD2-CZ2 3.77Å; F450-W457 AromaticContact CD2-NE1 3.46Å; F450-W457 HydrophobicContact CE2-CZ2 4.37Å; F450-W457 AromaticContact CE2-NE1 3.67Å; F450-W457 HydrophobicContact CG-CD2 4.31Å; F450-W457 AromaticContact CG-CE2 3.93Å; F450-W457 HydrophobicContact CG-CH2 4.11Å; F450-W457 AromaticContact CG-CZ2 3.84Å; F450-W457 HydrophobicContact CG-CZ2 3.84Å; F450-W457 HydrophobicContact CG-CZ3 4.45Å
451D91.8Very high90.4Very high0 Ų037.8 Ų37.80%019%0.189CC..EExtended strand (participates in β ladder)trans-93.6111.6175.4-158.9-57000110.2R449 E453 T454 D455 E456R449-D451 IonicContact CZ-OD2 2.78Å; R449-D451 IonicContact NH1-OD2 3.43Å; R449-D451 PolarHBondContact NH1-OD2 2.88Å; R449-D451 VanDerWaalsContact NH1-OD2 3.15Å; R449-D451 IonicContact NH2-OD2 3.46Å; R449-D451 PolarHBondContact NH2-OD2 3.04Å; D451-E453 VanDerWaalsContact C-N 3.32Å; D451-E453 PolarHBondContact O-N 2.88Å; D451-E453 PolarHBondContact OD1-N 3Å; D451-T454 WeakPolarHBondContact CB-OG1 3.45Å; D451-T454 PolarHBondContact O-N 3.48Å; D451-D455 WeakPolarHBondContact O-CA 3.37Å; D451-D455 PolarHBondContact O-N 3Å; D451-E456 PolarHBondContact N-O 3.3Å; D451-E456 PolarHBondContact O-N 2.84Å
452M89.4Confident89.7Confident56 Ų5640.7 Ų40.728%0.27620%0.203SC..THydrogen-bonded Turntrans-73.9-26.5-170.6-45.8-167-50.600113L388 Y393 L440 F450L388-M452 HydrophobicContact CB-CE 4.29Å; L388-M452 HydrophobicContact CD2-CE 3.09Å; L388-M452 HydrophobicContact CD2-CG 4.39Å; L388-M452 HydrophobicContact CD2-SD 3.6Å; L388-M452 VanDerWaalsContact CD2-SD 3.6Å; L388-M452 HydrophobicContact CG-CE 3.58Å; L388-M452 HydrophobicContact CG-SD 4.39Å; Y393-M452 HydrophobicContact CD1-SD 4.3Å; Y393-M452 HydrophobicContact CE1-SD 3.43Å; Y393-M452 WeakPolarHBondContact CE1-SD 3.49Å; Y393-M452 HydrophobicContact CE2-CE 4.4Å; Y393-M452 HydrophobicContact CE2-SD 3.92Å; Y393-M452 WeakPolarHBondContact OH-CE 3.2Å; Y393-M452 PolarHBondContact OH-SD 3.01Å; L440-M452 HydrophobicContact CD1-SD 4.21Å; L440-M452 HydrophobicContact CG-SD 4.17Å; F450-M452 HydrophobicContact CD1-CG 4.12Å; F450-M452 HydrophobicContact CE1-CB 4.33Å; F450-M452 HydrophobicContact CE1-CG 3.98Å
453E87.8Confident88.8Confident68 Ų6849 Ų4932%0.31824%0.242SC..THydrogen-bonded Turntrans-78.4-30.5-178.3-66.6-178.3-142.600110.9R90 L93 K97 D451R90-E453 PolarHBondContact NH1-O 3.33Å; R90-E453 PolarHBondContact NH2-O 2.78Å; L93-E453 WeakPolarHBondContact CD1-OE2 3.42Å; K97-E453 WeakPolarHBondContact CE-OE1 3.46Å; K97-E453 WeakPolarHBondContact CE-OE2 3.41Å; K97-E453 VanDerWaalsContact NZ-CD 3.33Å; K97-E453 IonicContact NZ-OE1 3.78Å; K97-E453 PolarHBondContact NZ-OE1 3.38Å; K97-E453 IonicContact NZ-OE2 3.64Å; K97-E453 PolarHBondContact NZ-OE2 3.25Å; D451-E453 VanDerWaalsContact C-N 3.32Å; D451-E453 PolarHBondContact O-N 2.88Å; D451-E453 PolarHBondContact OD1-N 3Å
454T88.5Confident88Confident10 Ų1050 Ų506%0.06125%0.249CC..THydrogen-bonded Turntrans-102-15.1-17968.70000114.2R90 L94 K97 D451 E456R90-T454 PolarHBondContact NH2-O 3.31Å; L94-T454 HydrophobicContact CD2-CG2 3.67Å; K97-T454 HydrophobicContact CB-CG2 3.88Å; K97-T454 HydrophobicContact CG-CG2 3.75Å; D451-T454 WeakPolarHBondContact CB-OG1 3.45Å; D451-T454 PolarHBondContact O-N 3.48Å; T454-E456 VanDerWaalsContact OG1-CB 3.31Å; T454-E456 WeakPolarHBondContact OG1-CB 3.35Å; T454-E456 VanDerWaalsContact OG1-CG 3.31Å; T454-E456 WeakPolarHBondContact OG1-CG 3.42Å; T454-E456 PolarHBondContact OG1-N 3.44Å; T454-E456 PolarHBondContact OG1-OE2 3.32Å
455D89.9Confident87.7Confident90 Ų9050 Ų5048%0.48125%0.248SC..THydrogen-bonded Turntrans57.437.8-169.1-170.333.5000111.9S422 F450 D451S422-D455 VanDerWaalsContact CB-OD1 3.29Å; S422-D455 WeakPolarHBondContact CB-OD1 3.43Å; S422-D455 PolarHBondContact OG-OD1 2.86Å; F450-D455 VanDerWaalsContact CE2-OD1 3.28Å; F450-D455 WeakPolarHBondContact CE2-OD1 3.24Å; D451-D455 WeakPolarHBondContact O-CA 3.37Å; D451-D455 PolarHBondContact O-N 3Å
456E90Very high87.2Confident69 Ų6953.6 Ų53.632%0.32226%0.26SS..EExtended strand (participates in β ladder)trans-105.5131.2-179.6-68.4177.715300111.4R101 D451 T454R101-E456 IonicContact CZ-OE2 3.91Å; R101-E456 VanDerWaalsContact CZ-OE2 3.24Å; R101-E456 IonicContact NH1-OE2 3.93Å; R101-E456 PolarHBondContact NH1-OE2 2.89Å; R101-E456 IonicContact NH2-OE2 2.69Å; R101-E456 PolarHBondContact NH2-OE2 2.87Å; D451-E456 PolarHBondContact N-O 3.3Å; D451-E456 PolarHBondContact O-N 2.84Å; T454-E456 VanDerWaalsContact OG1-CB 3.31Å; T454-E456 WeakPolarHBondContact OG1-CB 3.35Å; T454-E456 VanDerWaalsContact OG1-CG 3.31Å; T454-E456 WeakPolarHBondContact OG1-CG 3.42Å; T454-E456 PolarHBondContact OG1-N 3.44Å; T454-E456 PolarHBondContact OG1-OE2 3.32Å
457W93.4Very high86.6Confident58 Ų5860.1 Ų60.122%0.2228%0.282CS..EExtended strand (participates in β ladder)trans-97.4132.1171.4-71.487.5000110.1I408 S422 P425 L442 L448 R449 F450I408-W457 HydrophobicContact CD1-CH2 3.94Å; I408-W457 HydrophobicContact CD1-CZ2 4.19Å; I408-W457 HydrophobicContact CG1-CH2 4.04Å; I408-W457 HydrophobicContact CG1-CZ2 3.81Å; S422-W457 PolarHBondContact OG-NE1 3.15Å; S422-W457 VanDerWaalsContact OG-NE1 3.09Å; P425-W457 VanDerWaalsContact CD-CD2 3.46Å; P425-W457 HydrophobicContact CG-CB 4.19Å; P425-W457 HydrophobicContact CG-CD2 4.1Å; P425-W457 HydrophobicContact CG-CE3 4.26Å; P425-W457 HydrophobicContact CG-CG 4.07Å; L442-W457 HydrophobicContact CD1-CH2 3.78Å; L442-W457 HydrophobicContact CD1-CZ3 3.86Å; L448-W457 HydrophobicContact CB-CE3 3.94Å; L448-W457 HydrophobicContact CB-CZ3 3.88Å; L448-W457 HydrophobicContact CD1-CE3 4.08Å; L448-W457 HydrophobicContact CD1-CZ3 3.87Å; L448-W457 HydrophobicContact CG-CE3 4.49Å; L448-W457 HydrophobicContact CG-CZ3 4.5Å; R449-W457 WeakPolarHBondContact O-CA 3.26Å; F450-W457 HydrophobicContact CB-CD2 4.13Å; F450-W457 HydrophobicContact CB-CE3 3.91Å; F450-W457 HydrophobicContact CB-CH2 3.84Å; F450-W457 HydrophobicContact CB-CZ2 4.05Å; F450-W457 HydrophobicContact CB-CZ3 3.76Å; F450-W457 HydrophobicContact CD1-CZ2 4.48Å; F450-W457 AromaticContact CD2-CD1 3.89Å; F450-W457 AromaticContact CD2-CD2 3.82Å; F450-W457 HydrophobicContact CD2-CD2 3.82Å; F450-W457 AromaticContact CD2-CE2 3.42Å; F450-W457 VanDerWaalsContact CD2-CE2 3.42Å; F450-W457 HydrophobicContact CD2-CE3 4.46Å; F450-W457 HydrophobicContact CD2-CG 4.13Å; F450-W457 HydrophobicContact CD2-CH2 4.43Å; F450-W457 AromaticContact CD2-CZ2 3.77Å; F450-W457 HydrophobicContact CD2-CZ2 3.77Å; F450-W457 AromaticContact CD2-NE1 3.46Å; F450-W457 HydrophobicContact CE2-CZ2 4.37Å; F450-W457 AromaticContact CE2-NE1 3.67Å; F450-W457 HydrophobicContact CG-CD2 4.31Å; F450-W457 AromaticContact CG-CE2 3.93Å; F450-W457 HydrophobicContact CG-CH2 4.11Å; F450-W457 AromaticContact CG-CZ2 3.84Å; F450-W457 HydrophobicContact CG-CZ2 3.84Å; F450-W457 HydrophobicContact CG-CZ3 4.45Å
458T91.1Very high86Confident49 Ų4963.1 Ų63.130%0.30130%0.295SS..EExtended strand (participates in β ladder)trans-122.6130174.4-51.60000109L448 R449L448-T458 WeakPolarHBondContact CA-O 3.37Å; R449-T458 PolarHBondContact N-O 2.86Å; R449-T458 PolarHBondContact O-N 2.85Å
459I91.4Very high85.4Confident69 Ų6969 Ų6935%0.35432%0.321SS..EExtended strand (participates in β ladder)trans-83.5130.1174.1-57.6175.7000107.7F426 Q446 L448 E461F426-I459 HydrophobicContact CE2-CD1 3.79Å; F426-I459 HydrophobicContact CE2-CG1 4.31Å; F426-I459 HydrophobicContact CZ-CD1 4.24Å; Q446-I459 HydrophobicContact CG-CG2 4.15Å; L448-I459 HydrophobicContact CD2-CG1 3.95Å; I459-E461 HydrophobicContact CG2-CG 4.09Å
460L88.4Confident85Confident37 Ų3769 Ų6919%0.19432%0.321CS..  trans-93.2102175.7-55.8175.6000108.3Y441 F443 A447 R449 E462 L465 L498Y441-L460 HydrophobicContact CD1-CD1 3.61Å; Y441-L460 HydrophobicContact CE1-CD1 3.76Å; F443-L460 HydrophobicContact CE1-CD1 4.48Å; A447-L460 HydrophobicContact CB-CB 3.88Å; A447-L460 HydrophobicContact CB-CD1 4.3Å; A447-L460 PolarHBondContact O-N 3.04Å; R449-L460 HydrophobicContact CB-CD1 4.46Å; R449-L460 HydrophobicContact CB-CD2 4.26Å; R449-L460 HydrophobicContact CB-CG 4.44Å; L460-E462 PolarHBondContact O-N 3.4Å; L460-L465 HydrophobicContact CB-CD1 4.38Å; L460-L498 HydrophobicContact CD1-CD2 4.42Å
461E82.1Confident84.5Confident170 Ų17070.5 Ų70.579%0.79433%0.332SS*.  trans-87.872.9-177.8-64.4-172.8168.100110.8I459I459-E461 HydrophobicContact CG2-CG 4.09Å
462E80.4Confident84.2Confident71 Ų7170.8 Ų70.833%0.33233%0.334SS..  trans-114.7126.7177-70.2-65.1151.300110.3L460 C464 L465 E466 L498L460-E462 PolarHBondContact O-N 3.4Å; E462-C464 PolarHBondContact O-N 3.4Å; E462-C464 VanDerWaalsContact O-N 3.09Å; E462-L465 HydrophobicContact CB-CB 4.27Å; E462-L465 HydrophobicContact CB-CD1 3.85Å; E462-L465 HydrophobicContact CB-CG 3.82Å; E462-L465 HydrophobicContact CG-CD1 4.23Å; E462-L465 PolarHBondContact O-N 2.83Å; E462-E466 PolarHBondContact O-N 3.42Å; E462-E466 VanDerWaalsContact O-N 3.07Å; E462-L498 HydrophobicContact CG-CD1 4.47Å
463E76.5Confident84.3Confident180 Ų18068.8 Ų68.884%0.84133%0.326SS*.THydrogen-bonded Turntrans-56.2-31.8179.1-67.7-170.8170.400112.1L465E463-L465 PolarHBondContact O-N 3.4Å
464C75.3Confident84.4Confident22 Ų2266.2 Ų66.215%0.14932%0.315CS..THydrogen-bonded Turntrans-70.4-18.5179.7810000113.1E462 K468 V496 C505E462-C464 PolarHBondContact O-N 3.4Å; E462-C464 VanDerWaalsContact O-N 3.09Å; C464-K468 VanDerWaalsContact O-CD 3.23Å; C464-K468 WeakPolarHBondContact O-CD 3.44Å; C464-K468 VanDerWaalsContact O-CE 3.24Å; C464-K468 WeakPolarHBondContact O-CE 3.45Å; C464-K468 PolarHBondContact O-NZ 2.99Å; C464-V496 HydrophobicContact CB-CG1 4.35Å; C464-C505 HydrophobicContact CB-CB 3.69Å; C464-C505 WeakPolarHBondContact CB-SG 3.28Å; C464-C505 WeakPolarHBondContact SG-CB 3.44Å; C464-C505 CovalentContact SG-SG 2Å; C464-C505 PolarHBondContact SG-SG 3.03Å
465L80.9Confident84.4Confident3 Ų367.3 Ų67.32%0.01632%0.32CS..THydrogen-bonded Turntrans-104.8-27.7-177.2-55.7-178.9000112.2F443 A447 L460 E462 E463 R467 K468 F470 L482 L498F443-L465 HydrophobicContact CD1-CD1 4.39Å; F443-L465 HydrophobicContact CD1-CD2 4.4Å; F443-L465 HydrophobicContact CE1-CD1 4.03Å; F443-L465 HydrophobicContact CE1-CD2 4.43Å; A447-L465 HydrophobicContact CB-CB 3.98Å; A447-L465 HydrophobicContact CB-CD1 3.57Å; A447-L465 HydrophobicContact CB-CG 4.37Å; L460-L465 HydrophobicContact CB-CD1 4.38Å; E462-L465 HydrophobicContact CB-CB 4.27Å; E462-L465 HydrophobicContact CB-CD1 3.85Å; E462-L465 HydrophobicContact CB-CG 3.82Å; E462-L465 HydrophobicContact CG-CD1 4.23Å; E462-L465 PolarHBondContact O-N 2.83Å; E463-L465 PolarHBondContact O-N 3.4Å; L465-R467 PolarHBondContact O-N 2.89Å; L465-K468 PolarHBondContact O-N 3.41Å; L465-F470 HydrophobicContact CD2-CE2 4.4Å; L465-F470 HydrophobicContact CD2-CZ 4.05Å; L465-L482 HydrophobicContact CD2-CD1 3.38Å; L465-L498 HydrophobicContact CD1-CD1 4.29Å; L465-L498 HydrophobicContact CD1-CD2 4Å
466E73.6Confident84.1Confident92 Ų9263 Ų6343%0.4330%0.297SS..THydrogen-bonded Turntrans-59126.6-171.3-149-153.8144.500112.1E462 K468E462-E466 PolarHBondContact O-N 3.42Å; E462-E466 VanDerWaalsContact O-N 3.07Å; E466-K468 PolarHBondContact O-N 3.06Å; E466-K468 VanDerWaalsContact O-N 3.08Å
467R73.6Confident83.5Confident197 Ų19761.1 Ų61.174%0.74329%0.292SS*.THydrogen-bonded Turntrans58.321.4175.9-56172.1-166.5-159.5-2.7114.4G445 L465G445-R467 VanDerWaalsContact O-CA 3.29Å; G445-R467 WeakPolarHBondContact O-CA 3.32Å; G445-R467 PolarHBondContact O-N 2.84Å; L465-R467 PolarHBondContact O-N 2.89Å
468K79.3Confident83Confident65 Ų6558.7 Ų58.728%0.28329%0.285SS..  trans-98.9143.3174.5-63.5-170-163.1161.90111.3G445 C464 L465 E466 F470G445-K468 PolarHBondContact N-O 2.86Å; C464-K468 VanDerWaalsContact O-CD 3.23Å; C464-K468 WeakPolarHBondContact O-CD 3.44Å; C464-K468 VanDerWaalsContact O-CE 3.24Å; C464-K468 WeakPolarHBondContact O-CE 3.45Å; C464-K468 PolarHBondContact O-NZ 2.99Å; L465-K468 PolarHBondContact O-N 3.41Å; E466-K468 PolarHBondContact O-N 3.06Å; E466-K468 VanDerWaalsContact O-N 3.08Å; K468-F470 HydrophobicContact CB-CE2 3.98Å; K468-F470 HydrophobicContact CB-CZ 3.89Å
469F80.9Confident82.8Confident128 Ų12858.1 Ų58.156%0.56128%0.279SS*.  trans-103.3137.9169.5-67.3-87.5000108.6S484F469-S484 WeakPolarHBondContact O-CB 3.37Å
470F85.7Confident82.8Confident11 Ų1154.9 Ų54.95%0.04826%0.262CS..  trans-115.7147.9179.5-60.3-80.8000108.3V432 F443 L465 K468 L482 V483 V496V432-F470 HydrophobicContact CG2-CB 3.76Å; F443-F470 HydrophobicContact CB-CD2 3.79Å; F443-F470 HydrophobicContact CB-CE2 4.24Å; L465-F470 HydrophobicContact CD2-CE2 4.4Å; L465-F470 HydrophobicContact CD2-CZ 4.05Å; K468-F470 HydrophobicContact CB-CE2 3.98Å; K468-F470 HydrophobicContact CB-CZ 3.89Å; F470-L482 HydrophobicContact CD1-CB 3.57Å; F470-L482 HydrophobicContact CD1-CD1 4.42Å; F470-L482 HydrophobicContact CD1-CG 4.49Å; F470-L482 HydrophobicContact CD2-CD1 4.45Å; F470-L482 HydrophobicContact CE1-CB 3.62Å; F470-L482 HydrophobicContact CE1-CD1 3.99Å; F470-L482 HydrophobicContact CE1-CG 4.41Å; F470-L482 HydrophobicContact CE2-CD1 4.03Å; F470-L482 HydrophobicContact CG-CB 4.19Å; F470-L482 HydrophobicContact CZ-CB 4.28Å; F470-L482 HydrophobicContact CZ-CD1 3.76Å; F470-V483 CarbonylContact C-O 3.54Å; F470-V483 WeakPolarHBondContact CA-O 3.34Å; F470-V483 WeakPolarHBondContact CB-O 3.2Å; F470-V496 HydrophobicContact CE1-CG2 4.4Å
471C84.4Confident82.9Confident36 Ų3653.6 Ų53.624%0.24326%0.255CS..SBendtrans-103.6-6.3179.457.50000111.7V483 E485 L518C471-V483 PolarHBondContact N-O 3.47Å; C471-V483 PolarHBondContact SG-O 2.67Å; C471-E485 HydrophobicContact CB-CG 4.17Å; C471-L518 HydrophobicContact CB-CB 4.11Å; C471-L518 WeakPolarHBondContact SG-CB 3.47Å; C471-L518 WeakPolarHBondContact SG-CD1 3.38Å
472G86.9Confident83.4Confident5 Ų545.5 Ų45.55%0.05222%0.217CC..EExtended strand (participates in β ladder)trans-167.5144.5178.300000111.3V483 C521G472-V483 PolarHBondContact O-N 3.47Å; G472-C521 VanDerWaalsContact CA-CB 3.47Å
473C91Very high83.8Confident14 Ų1442.2 Ų42.210%0.09520%0.201CC..EExtended strand (participates in β ladder)trans-141.5149.2170.466.20000110.2V432 A433 F443 Y481 L482V432-C473 HydrophobicContact CB-CB 4.03Å; V432-C473 WeakPolarHBondContact CB-SG 3.48Å; V432-C473 HydrophobicContact CG2-CB 3.59Å; V432-C473 VanDerWaalsContact CG2-SG 3.57Å; A433-C473 PolarHBondContact N-SG 2.78Å; A433-C473 PolarHBondContact O-SG 3.32Å; F443-C473 HydrophobicContact CD2-CB 4.37Å; C473-Y481 CarbonylContact C-O 3.5Å; C473-Y481 VanDerWaalsContact CA-O 3.29Å; C473-Y481 WeakPolarHBondContact CA-O 3.35Å; C473-L482 HydrophobicContact CB-CD2 3.35Å
474T88.8Confident84.2Confident14 Ų1433.8 Ų33.89%0.08616%0.162CC..EExtended strand (participates in β ladder)trans-158.8149.3172.1-168.30000111.6L247 V476 Y481 T523L247-T474 HydrophobicContact CD1-CG2 3.5Å; T474-V476 HydrophobicContact CG2-CG2 4.2Å; T474-Y481 PolarHBondContact N-O 3.48Å; T474-Y481 PolarHBondContact O-N 3.36Å; T474-T523 VanDerWaalsContact CB-OG1 3.31Å; T474-T523 WeakPolarHBondContact CB-OG1 3.33Å; T474-T523 WeakPolarHBondContact CG2-OG1 3.23Å; T474-T523 WeakPolarHBondContact OG1-CB 3.41Å; T474-T523 PolarHBondContact OG1-N 3.17Å; T474-T523 PolarHBondContact OG1-OG1 3.39Å
475N88.8Confident84.4Confident34 Ų3436 Ų3618%0.18217%0.171CC..EExtended strand (participates in β ladder)trans-81.5129.3167174.6-5.8000109.7T434 E435 L436 G478 Q479 T523T434-N475 WeakPolarHBondContact OG1-CB 3.25Å; T434-N475 PolarHBondContact OG1-N 2.98Å; T434-N475 VanDerWaalsContact OG1-N 3.08Å; E435-N475 VanDerWaalsContact O-CB 3.28Å; E435-N475 WeakPolarHBondContact O-CB 3.34Å; E435-N475 PolarHBondContact O-ND2 3.43Å; L436-N475 WeakPolarHBondContact CD1-ND2 3.35Å; N475-G478 PolarHBondContact OD1-N 3.34Å; N475-Q479 CarbonylContact C-O 3.58Å; N475-Q479 WeakPolarHBondContact CA-O 3.23Å; N475-T523 WeakPolarHBondContact O-CB 3.43Å; N475-T523 WeakPolarHBondContact O-CG2 3.4Å; N475-T523 PolarHBondContact O-OG1 3.22Å
476V84.4Confident84Confident0 Ų044.6 Ų44.60%020%0.203CC..EExtended strand (participates in β ladder)trans-131.6120.6166.2-179.50000107.8E245 P266 T474 G478 Q479 Y481 T523E245-V476 HydrophobicContact CB-CB 4.48Å; E245-V476 HydrophobicContact CB-CG1 3.48Å; E245-V476 VanDerWaalsContact CB-CG1 3.48Å; P266-V476 HydrophobicContact CB-CG1 4.26Å; P266-V476 HydrophobicContact CG-CB 4.42Å; P266-V476 HydrophobicContact CG-CG1 3.68Å; T474-V476 HydrophobicContact CG2-CG2 4.2Å; V476-G478 PolarHBondContact O-N 2.97Å; V476-Q479 PolarHBondContact N-O 3.26Å; V476-Q479 PolarHBondContact O-N 2.81Å; V476-Q479 VanDerWaalsContact O-O 3.14Å; V476-Y481 HydrophobicContact CB-CD2 3.86Å; V476-Y481 HydrophobicContact CB-CE2 3.78Å; V476-Y481 HydrophobicContact CG1-CE2 4.49Å; V476-Y481 HydrophobicContact CG2-CD2 3.92Å; V476-Y481 HydrophobicContact CG2-CE2 4.26Å; V476-T523 HydrophobicContact CG2-CG2 3.83Å; V476-T523 WeakPolarHBondContact CG2-OG1 3.29Å
477S77.9Confident83.7Confident29 Ų2943.6 Ų43.620%0.20320%0.197CC..THydrogen-bonded Turntrans53.542.5170.6-59.20000111.8T133 E245 Q479T133-S477 WeakPolarHBondContact CG2-O 3.31Å; E245-S477 WeakPolarHBondContact OE2-CA 3.5Å; E245-S477 PolarHBondContact OE2-N 3.44Å; E245-S477 PolarHBondContact OE2-OG 3.48Å; E245-S477 VanDerWaalsContact OE2-OG 3.1Å; S477-Q479 VanDerWaalsContact C-N 3.29Å; S477-Q479 PolarHBondContact O-N 2.61Å
478G81.6Confident83.5Confident7 Ų739.4 Ų39.47%0.07220%0.198CC..THydrogen-bonded Turntrans80.76.1178.700000114.7L436 N475 V476L436-G478 WeakPolarHBondContact CD2-O 3.1Å; N475-G478 PolarHBondContact OD1-N 3.34Å; V476-G478 PolarHBondContact O-N 2.97Å
479Q87.4Confident83Confident37 Ų3743.9 Ų43.917%0.17323%0.225CC..EExtended strand (participates in β ladder)trans-122.3149.1177.6-49.2-179.1-69.700110.4T133 N475 V476 S477 Y481 L497 D499T133-Q479 HydrophobicContact CG2-CG 4.44Å; N475-Q479 CarbonylContact C-O 3.58Å; N475-Q479 WeakPolarHBondContact CA-O 3.23Å; V476-Q479 PolarHBondContact N-O 3.26Å; V476-Q479 PolarHBondContact O-N 2.81Å; V476-Q479 VanDerWaalsContact O-O 3.14Å; S477-Q479 VanDerWaalsContact C-N 3.29Å; S477-Q479 PolarHBondContact O-N 2.61Å; Q479-Y481 HydrophobicContact CB-CE2 4.28Å; Q479-L497 HydrophobicContact CB-CD1 3.62Å; Q479-D499 HydrophobicContact CG-CB 4.37Å; Q479-D499 PolarHBondContact NE2-OD2 2.85Å
480I91.5Very high82.6Confident0 Ų045.5 Ų45.50%023%0.232CC..EExtended strand (participates in β ladder)trans-102.3119.5-178.1-59.6175.8000109.8T434 L436 Y441 F443 L482 L498T434-I480 HydrophobicContact CG2-CD1 3.84Å; T434-I480 HydrophobicContact CG2-CG1 3.95Å; T434-I480 HydrophobicContact CG2-CG2 3.88Å; L436-I480 HydrophobicContact CB-CD1 4.17Å; L436-I480 HydrophobicContact CB-CG1 4.38Å; L436-I480 HydrophobicContact CD2-CD1 3.83Å; L436-I480 HydrophobicContact CD2-CG1 3.71Å; Y441-I480 HydrophobicContact CD1-CD1 3.72Å; Y441-I480 HydrophobicContact CD2-CD1 4.02Å; Y441-I480 HydrophobicContact CE1-CD1 4.16Å; Y441-I480 HydrophobicContact CE2-CD1 4.45Å; Y441-I480 HydrophobicContact CG-CD1 3.64Å; F443-I480 HydrophobicContact CE2-CD1 4.3Å; F443-I480 HydrophobicContact CE2-CG2 3.89Å; F443-I480 HydrophobicContact CZ-CD1 3.98Å; F443-I480 HydrophobicContact CZ-CG2 4Å; I480-L482 HydrophobicContact CG2-CD2 3.73Å; I480-L482 HydrophobicContact CG2-CG 4.02Å; I480-L498 HydrophobicContact CB-CB 4.24Å; I480-L498 HydrophobicContact CD1-CD2 4.38Å; I480-L498 PolarHBondContact N-O 3.34Å; I480-L498 PolarHBondContact O-N 3.04Å
481Y91.1Very high82.1Confident11 Ų1148.6 Ų48.64%0.04326%0.26CS..EExtended strand (participates in β ladder)trans-96.5121.6171.8-70.5-96.8000109.4F264 P266 C473 T474 V476 Q479 M495 L497 I508F264-Y481 HydrophobicContact CE1-CD1 4.32Å; F264-Y481 AromaticContact CE1-CE1 3.81Å; F264-Y481 HydrophobicContact CE1-CE1 3.81Å; P266-Y481 HydrophobicContact CG-CE2 4.48Å; C473-Y481 CarbonylContact C-O 3.5Å; C473-Y481 VanDerWaalsContact CA-O 3.29Å; C473-Y481 WeakPolarHBondContact CA-O 3.35Å; T474-Y481 PolarHBondContact N-O 3.48Å; T474-Y481 PolarHBondContact O-N 3.36Å; V476-Y481 HydrophobicContact CB-CD2 3.86Å; V476-Y481 HydrophobicContact CB-CE2 3.78Å; V476-Y481 HydrophobicContact CG1-CE2 4.49Å; V476-Y481 HydrophobicContact CG2-CD2 3.92Å; V476-Y481 HydrophobicContact CG2-CE2 4.26Å; Q479-Y481 HydrophobicContact CB-CE2 4.28Å; Y481-M495 HydrophobicContact CD1-CE 4.38Å; Y481-M495 HydrophobicContact CD1-CG 4.21Å; Y481-M495 HydrophobicContact CD1-SD 3.91Å; Y481-L497 HydrophobicContact CD1-CD1 4.08Å; Y481-L497 HydrophobicContact CD2-CD1 3.94Å; Y481-L497 HydrophobicContact CE1-CB 4.5Å; Y481-L497 HydrophobicContact CE1-CD1 3.74Å; Y481-L497 HydrophobicContact CE1-CG 4.49Å; Y481-L497 HydrophobicContact CE2-CD1 3.58Å; Y481-L497 HydrophobicContact CG-CD1 4.18Å; Y481-L497 VanDerWaalsContact CZ-CD1 3.47Å; Y481-I508 HydrophobicContact CD1-CD1 4.23Å; Y481-I508 HydrophobicContact CE1-CD1 3.84Å
482L90.8Very high81.6Confident0 Ų048.8 Ų48.80%026%0.261CS..EExtended strand (participates in β ladder)trans-112.1135.6177-57.8175.8000109.6F443 L465 F470 C473 I480 M495 V496F443-L482 HydrophobicContact CB-CD2 4.36Å; F443-L482 HydrophobicContact CD1-CD1 3.76Å; F443-L482 HydrophobicContact CD1-CD2 4.23Å; F443-L482 HydrophobicContact CD2-CD2 3.53Å; F443-L482 HydrophobicContact CE1-CD1 3.88Å; F443-L482 HydrophobicContact CE1-CD2 4.43Å; F443-L482 HydrophobicContact CE2-CD2 3.74Å; F443-L482 HydrophobicContact CG-CD1 4.11Å; F443-L482 HydrophobicContact CG-CD2 3.78Å; F443-L482 HydrophobicContact CZ-CD1 4.31Å; F443-L482 HydrophobicContact CZ-CD2 4.19Å; L465-L482 HydrophobicContact CD2-CD1 3.38Å; F470-L482 HydrophobicContact CD1-CB 3.57Å; F470-L482 HydrophobicContact CD1-CD1 4.42Å; F470-L482 HydrophobicContact CD1-CG 4.49Å; F470-L482 HydrophobicContact CD2-CD1 4.45Å; F470-L482 HydrophobicContact CE1-CB 3.62Å; F470-L482 HydrophobicContact CE1-CD1 3.99Å; F470-L482 HydrophobicContact CE1-CG 4.41Å; F470-L482 HydrophobicContact CE2-CD1 4.03Å; F470-L482 HydrophobicContact CG-CB 4.19Å; F470-L482 HydrophobicContact CZ-CB 4.28Å; F470-L482 HydrophobicContact CZ-CD1 3.76Å; C473-L482 HydrophobicContact CB-CD2 3.35Å; I480-L482 HydrophobicContact CG2-CD2 3.73Å; I480-L482 HydrophobicContact CG2-CG 4.02Å; L482-M495 CarbonylContact O-C 3.59Å; L482-M495 WeakPolarHBondContact O-CA 3.46Å; L482-V496 HydrophobicContact CB-CB 4.25Å; L482-V496 PolarHBondContact N-O 3.26Å; L482-V496 PolarHBondContact O-N 3.02Å
483V89.9Confident81.3Confident1 Ų149.9 Ų49.91%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-119.2130.4-179.8-167.70000109.6I249 F470 C471 G472 N494 I512 L518I249-V483 HydrophobicContact CD1-CG1 4.24Å; I249-V483 HydrophobicContact CD1-CG2 3.85Å; F470-V483 CarbonylContact C-O 3.54Å; F470-V483 WeakPolarHBondContact CA-O 3.34Å; F470-V483 WeakPolarHBondContact CB-O 3.2Å; C471-V483 PolarHBondContact N-O 3.47Å; C471-V483 PolarHBondContact SG-O 2.67Å; G472-V483 PolarHBondContact O-N 3.47Å; V483-N494 WeakPolarHBondContact CA-O 3.49Å; V483-I512 HydrophobicContact CG1-CD1 3.57Å; V483-L518 HydrophobicContact CB-CD1 4.47Å; V483-L518 HydrophobicContact CG1-CD1 3.28Å
484S84.6Confident81Confident4 Ų449.5 Ų49.53%0.02826%0.264CS..EExtended strand (participates in β ladder)trans-125.8153.4178.271.10000111.5F469 R486 P493 N494F469-S484 WeakPolarHBondContact O-CB 3.37Å; S484-R486 VanDerWaalsContact C-N 3.34Å; S484-R486 PolarHBondContact OG-O 3.08Å; S484-P493 CarbonylContact O-C 3.56Å; S484-P493 WeakPolarHBondContact O-CA 3.48Å; S484-N494 PolarHBondContact N-O 2.94Å; S484-N494 PolarHBondContact O-N 2.98Å
485E80.1Confident81Confident69 Ų6948.9 Ų48.932%0.32226%0.261SS..EExtended strand (participates in β ladder)trans-86.2-9.3177.8-56-166.7149.200113.5C471 A491 S492 L516 P517 L518C471-E485 HydrophobicContact CB-CG 4.17Å; E485-A491 CarbonylContact O-C 3.55Å; E485-A491 WeakPolarHBondContact O-CA 3.45Å; E485-S492 CarbonylContact C-O 3.56Å; E485-S492 CarbonylContact O-C 3.58Å; E485-S492 PolarHBondContact O-N 3.27Å; E485-S492 VanDerWaalsContact O-N 3.07Å; E485-L516 HydrophobicContact CB-CD1 4.32Å; E485-L516 HydrophobicContact CB-CD2 3.77Å; E485-L516 HydrophobicContact CG-CD2 3.88Å; E485-L516 WeakPolarHBondContact O-CD1 3.21Å; E485-P517 WeakPolarHBondContact OE1-CA 3.18Å; E485-P517 WeakPolarHBondContact OE1-CB 3.3Å; E485-L518 HydrophobicContact CG-CB 4.44Å; E485-L518 HydrophobicContact CG-CG 4.45Å; E485-L518 PolarHBondContact OE1-N 3.14Å
486R71Confident81Confident182 Ų18247.3 Ų47.369%0.68725%0.252SS*.EExtended strand (participates in β ladder)trans-126.6130.1-176.1-74-179.5151.4-176-6.7110.7S484 K490S484-R486 VanDerWaalsContact C-N 3.34Å; S484-R486 PolarHBondContact OG-O 3.08Å; R486-K490 WeakPolarHBondContact CA-O 3.42Å
487K68Low81.2Confident71 Ų7148 Ų4831%0.30926%0.256SS..EExtended strand (participates in β ladder)trans-109.2106.9164.3-172.1167175.2164.90107.3N489 K490 S492 N494K487-N489 PolarHBondContact O-N 3.15Å; K487-K490 PolarHBondContact N-O 2.88Å; K487-K490 PolarHBondContact O-N 2.97Å; K487-K490 VanDerWaalsContact O-N 3.14Å; K487-S492 WeakPolarHBondContact CB-OG 3.36Å; K487-S492 PolarHBondContact N-O 2.88Å; K487-N494 HydrophobicContact CB-CB 4.11Å
488S69.3Low81.8Confident109 Ų10947.2 Ų47.276%0.76225%0.249SC*.THydrogen-bonded Turntrans55.1-131.1-172-175.90000110.7K490S488-K490 VanDerWaalsContact C-N 3.32Å; S488-K490 PolarHBondContact O-N 2.81Å
489N69.1Low82.2Confident159 Ų15947 Ų4785%0.8525%0.247SC*.THydrogen-bonded Turntrans-84.31.9179.6-70-14.4000114.3K487K487-N489 PolarHBondContact O-N 3.15Å
490K72.8Confident82.1Confident162 Ų16247.3 Ų47.370%0.70425%0.252SS*.EExtended strand (participates in β ladder)trans-104.1133.9179.7-66.5-177.4-179178.30110.5R486 K487 S488 S492R486-K490 WeakPolarHBondContact CA-O 3.42Å; K487-K490 PolarHBondContact N-O 2.88Å; K487-K490 PolarHBondContact O-N 2.97Å; K487-K490 VanDerWaalsContact O-N 3.14Å; S488-K490 VanDerWaalsContact C-N 3.32Å; S488-K490 PolarHBondContact O-N 2.81Å; K490-S492 PolarHBondContact O-N 2.83Å; K490-S492 VanDerWaalsContact O-N 3.08Å
491A75.3Confident82Confident77 Ų7747.6 Ų47.664%0.63625%0.253SS*.EExtended strand (participates in β ladder)trans-7691.8169.900000108.6E485 L516E485-A491 CarbonylContact O-C 3.55Å; E485-A491 WeakPolarHBondContact O-CA 3.45Å; A491-L516 HydrophobicContact CB-CD1 4.15Å
492S74.1Confident81.7Confident40 Ų4048.7 Ų48.728%0.2826%0.259SS..EExtended strand (participates in β ladder)trans-143.2135.7174.358.90000107.5E485 K487 K490 N494E485-S492 CarbonylContact C-O 3.56Å; E485-S492 CarbonylContact O-C 3.58Å; E485-S492 PolarHBondContact O-N 3.27Å; E485-S492 VanDerWaalsContact O-N 3.07Å; K487-S492 WeakPolarHBondContact CB-OG 3.36Å; K487-S492 PolarHBondContact N-O 2.88Å; K490-S492 PolarHBondContact O-N 2.83Å; K490-S492 VanDerWaalsContact O-N 3.08Å; S492-N494 PolarHBondContact O-N 2.81Å
493P79.8Confident80.7Confident28 Ų2855.2 Ų55.218%0.18229%0.294CS..EExtended strand (participates in β ladder)trans-62.5137.218032.3-38.4000109.4S484 I512 L516 L518S484-P493 CarbonylContact O-C 3.56Å; S484-P493 WeakPolarHBondContact O-CA 3.48Å; P493-I512 HydrophobicContact CB-CB 3.77Å; P493-I512 HydrophobicContact CB-CD1 4.12Å; P493-I512 HydrophobicContact CB-CG1 4.4Å; P493-I512 HydrophobicContact CB-CG2 4.09Å; P493-I512 HydrophobicContact CG-CB 3.87Å; P493-I512 HydrophobicContact CG-CG2 4.38Å; P493-I512 VanDerWaalsContact CG-O 3.3Å; P493-I512 WeakPolarHBondContact CG-O 3.34Å; P493-L516 HydrophobicContact CB-CD2 3.86Å; P493-L516 HydrophobicContact CG-CD2 4.47Å; P493-L518 HydrophobicContact CB-CD1 4.14Å
494N85Confident79.8Confident5 Ų559.1 Ų59.13%0.02732%0.318CS..EExtended strand (participates in β ladder)trans-140.5140.6-173.9175.764.8000110.4V483 S484 K487 S492 Q507 I512V483-N494 WeakPolarHBondContact CA-O 3.49Å; S484-N494 PolarHBondContact N-O 2.94Å; S484-N494 PolarHBondContact O-N 2.98Å; K487-N494 HydrophobicContact CB-CB 4.11Å; S492-N494 PolarHBondContact O-N 2.81Å; N494-Q507 PolarHBondContact ND2-NE2 3.4Å; N494-Q507 PolarHBondContact OD1-NE2 3.3Å; N494-I512 VanDerWaalsContact C-CD1 3.43Å
495M88.3Confident79.5Confident1 Ų160.2 Ų60.21%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-114.8134.1179.2-165.7156.863.700109.6L247 F264 W271 Y481 L482 I508 I512L247-M495 HydrophobicContact CD2-SD 4.04Å; F264-M495 HydrophobicContact CD1-CE 3.92Å; F264-M495 HydrophobicContact CD1-SD 4.39Å; F264-M495 HydrophobicContact CD2-CE 4.21Å; F264-M495 HydrophobicContact CE1-CE 3.53Å; F264-M495 HydrophobicContact CE1-SD 4.39Å; F264-M495 HydrophobicContact CE2-CE 3.83Å; F264-M495 HydrophobicContact CG-CE 4.25Å; F264-M495 HydrophobicContact CZ-CE 3.48Å; F264-M495 VanDerWaalsContact CZ-CE 3.48Å; W271-M495 HydrophobicContact CH2-CE 4.41Å; W271-M495 HydrophobicContact CH2-SD 4.28Å; W271-M495 HydrophobicContact CZ2-CE 3.72Å; W271-M495 HydrophobicContact CZ2-SD 4.13Å; Y481-M495 HydrophobicContact CD1-CE 4.38Å; Y481-M495 HydrophobicContact CD1-CG 4.21Å; Y481-M495 HydrophobicContact CD1-SD 3.91Å; L482-M495 CarbonylContact O-C 3.59Å; L482-M495 WeakPolarHBondContact O-CA 3.46Å; M495-I508 HydrophobicContact CB-CB 4.23Å; M495-I508 HydrophobicContact CE-CB 4.26Å; M495-I508 HydrophobicContact CE-CD1 3.49Å; M495-I508 VanDerWaalsContact CE-CD1 3.49Å; M495-I508 HydrophobicContact CE-CG1 4.46Å; M495-I508 HydrophobicContact CE-CG2 3.99Å; M495-I508 HydrophobicContact CG-CD1 4.14Å; M495-I508 PolarHBondContact O-N 3.22Å; M495-I508 HydrophobicContact SD-CD1 4.46Å; M495-I512 HydrophobicContact CB-CD1 3.85Å; M495-I512 HydrophobicContact CB-CG1 4.21Å
496V88.9Confident79.6Confident1 Ų160.4 Ų60.41%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-121.2127.1177.1178.10000107.2C464 F470 L482 C505C464-V496 HydrophobicContact CB-CG1 4.35Å; F470-V496 HydrophobicContact CE1-CG2 4.4Å; L482-V496 HydrophobicContact CB-CB 4.25Å; L482-V496 PolarHBondContact N-O 3.26Å; L482-V496 PolarHBondContact O-N 3.02Å; V496-C505 WeakPolarHBondContact CG1-SG 3.49Å
497L89.2Confident79.9Confident16 Ų1655.6 Ų55.68%0.08431%0.313CS..EExtended strand (participates in β ladder)trans-98.7116.3172.5177.360.9000108.2Q479 Y481 I506 I508Q479-L497 HydrophobicContact CB-CD1 3.62Å; Y481-L497 HydrophobicContact CD1-CD1 4.08Å; Y481-L497 HydrophobicContact CD2-CD1 3.94Å; Y481-L497 HydrophobicContact CE1-CB 4.5Å; Y481-L497 HydrophobicContact CE1-CD1 3.74Å; Y481-L497 HydrophobicContact CE1-CG 4.49Å; Y481-L497 HydrophobicContact CE2-CD1 3.58Å; Y481-L497 HydrophobicContact CG-CD1 4.18Å; Y481-L497 VanDerWaalsContact CZ-CD1 3.47Å; L497-I506 HydrophobicContact CB-CB 4.31Å; L497-I506 PolarHBondContact N-O 2.83Å; L497-I506 PolarHBondContact O-N 3Å; L497-I508 HydrophobicContact CB-CD1 4.13Å; L497-I508 HydrophobicContact CB-CG1 4.44Å
498L90Very high80.3Confident12 Ų1253.5 Ų53.56%0.06331%0.305CS..EExtended strand (participates in β ladder)trans-103.5123169.8176.269.8000108.2F443 L460 E462 L465 I480F443-L498 HydrophobicContact CE1-CD2 3.68Å; F443-L498 HydrophobicContact CZ-CD2 3.73Å; L460-L498 HydrophobicContact CD1-CD2 4.42Å; E462-L498 HydrophobicContact CG-CD1 4.47Å; L465-L498 HydrophobicContact CD1-CD1 4.29Å; L465-L498 HydrophobicContact CD1-CD2 4Å; I480-L498 HydrophobicContact CB-CB 4.24Å; I480-L498 HydrophobicContact CD1-CD2 4.38Å; I480-L498 PolarHBondContact N-O 3.34Å; I480-L498 PolarHBondContact O-N 3.04Å
499D89.2Confident80.1Confident2 Ų256 Ų561%0.01131%0.305CS..  trans-124.4113.2174.9178.7-16.6000107.4H134 Q479 Y501 I502H134-D499 IonicContact CE1-OD2 3.57Å; H134-D499 PolarHBondContact CE1-OD2 3.19Å; H134-D499 IonicContact NE2-OD1 2.64Å; H134-D499 PolarHBondContact NE2-OD1 3.2Å; H134-D499 IonicContact NE2-OD2 3.34Å; H134-D499 PolarHBondContact NE2-OD2 3.21Å; Q479-D499 HydrophobicContact CG-CB 4.37Å; Q479-D499 PolarHBondContact NE2-OD2 2.85Å; D499-Y501 PolarHBondContact O-N 2.63Å; D499-Y501 VanDerWaalsContact O-N 3.09Å; D499-Y501 WeakPolarHBondContact OD1-CB 3.06Å; D499-Y501 WeakPolarHBondContact OD1-CD2 3.26Å; D499-Y501 PolarHBondContact OD1-N 3.05Å; D499-I502 HydrophobicContact CB-CD1 3.75Å; D499-I502 HydrophobicContact CB-CG1 3.68Å; D499-I502 PolarHBondContact O-N 3.03Å
500P86.7Confident79.8Confident43 Ų4353.1 Ų53.128%0.27929%0.289SS..THydrogen-bonded Turntrans-69.5-7.9-17230.9-36.7000113.1L436L436-P500 HydrophobicContact CD2-CG 3.65Å
501Y88.7Confident79.6Confident6 Ų649.5 Ų49.52%0.02429%0.289CS..THydrogen-bonded Turntrans-102.72.4-174.5-51.1-63.9000113.7L103 H104 L105 V130 N437 D499L103-Y501 HydrophobicContact CB-CD1 3.99Å; L103-Y501 HydrophobicContact CB-CE1 3.97Å; H104-Y501 PolarHBondContact CD2-O 2.83Å; H104-Y501 PolarHBondContact NE2-O 3.04Å; L105-Y501 PolarHBondContact N-O 2.81Å; V130-Y501 HydrophobicContact CG1-CD1 4.38Å; V130-Y501 HydrophobicContact CG1-CD2 4.47Å; V130-Y501 HydrophobicContact CG1-CG 4.12Å; V130-Y501 HydrophobicContact CG2-CD1 3.54Å; V130-Y501 HydrophobicContact CG2-CD2 4.03Å; V130-Y501 HydrophobicContact CG2-CE1 3.25Å; V130-Y501 HydrophobicContact CG2-CE2 3.77Å; V130-Y501 HydrophobicContact CG2-CG 3.85Å; N437-Y501 PolarHBondContact ND2-OH 2.75Å; N437-Y501 PolarHBondContact OD1-OH 3.41Å; D499-Y501 PolarHBondContact O-N 2.63Å; D499-Y501 VanDerWaalsContact O-N 3.09Å; D499-Y501 WeakPolarHBondContact OD1-CB 3.06Å; D499-Y501 WeakPolarHBondContact OD1-CD2 3.26Å; D499-Y501 PolarHBondContact OD1-N 3.05Å
502I84.2Confident79.9Confident35 Ų3546.1 Ų46.118%0.17926%0.261CS..SBendtrans-128.2144.2174.363.3179.2000109.2L105 D499 T504 I506L105-I502 HydrophobicContact CD1-CG2 3.5Å; L105-I502 HydrophobicContact CG-CG2 3.86Å; D499-I502 HydrophobicContact CB-CD1 3.75Å; D499-I502 HydrophobicContact CB-CG1 3.68Å; D499-I502 PolarHBondContact O-N 3.03Å; I502-T504 WeakPolarHBondContact CD1-O 3.4Å; I502-T504 PolarHBondContact O-N 3.46Å; I502-I506 HydrophobicContact CD1-CD1 4.12Å
503D71.3Confident80.5Confident137 Ų13746.8 Ų46.873%0.73326%0.264SS*.SBendtrans-72.316.6-179-60.8-35.3000113.8
504T69.8Low80.8Confident82 Ų8245.5 Ų45.550%0.50326%0.256SS..  trans-138.6119.9-173.461.50000112.3I502I502-T504 WeakPolarHBondContact CD1-O 3.4Å; I502-T504 PolarHBondContact O-N 3.46Å
505C78.8Confident80.9Confident27 Ų2747.8 Ų47.818%0.18227%0.271CS..  trans-76.7127.1162.1-176.80000111C464 V496C464-C505 HydrophobicContact CB-CB 3.69Å; C464-C505 WeakPolarHBondContact CB-SG 3.28Å; C464-C505 WeakPolarHBondContact SG-CB 3.44Å; C464-C505 CovalentContact SG-SG 2Å; C464-C505 PolarHBondContact SG-SG 3.03Å; V496-C505 WeakPolarHBondContact CG1-SG 3.49Å
506I81.9Confident80.9Confident74 Ų7449.8 Ų49.838%0.37928%0.281SS..EExtended strand (participates in β ladder)trans-104.1118.7-173.4-57.4172.9000109.4L497 I502 I508L497-I506 HydrophobicContact CB-CB 4.31Å; L497-I506 PolarHBondContact N-O 2.83Å; L497-I506 PolarHBondContact O-N 3Å; I502-I506 HydrophobicContact CD1-CD1 4.12Å; I506-I508 PolarHBondContact O-N 3.39Å
507Q78.3Confident80.8Confident81 Ų8151.3 Ų51.338%0.37929%0.291SS..EExtended strand (participates in β ladder)trans-80.5119.5167.7-173.216814.800109.3N494 E509N494-Q507 PolarHBondContact ND2-NE2 3.4Å; N494-Q507 PolarHBondContact OD1-NE2 3.3Å; Q507-E509 PolarHBondContact O-N 3.07Å
508I76.8Confident80.6Confident26 Ų2651.1 Ų51.113%0.13329%0.29CS..EExtended strand (participates in β ladder)trans-80.3110.5177.5-61.9175.9000107Y481 M495 L497 I506 D510Y481-I508 HydrophobicContact CD1-CD1 4.23Å; Y481-I508 HydrophobicContact CE1-CD1 3.84Å; M495-I508 HydrophobicContact CB-CB 4.23Å; M495-I508 HydrophobicContact CE-CB 4.26Å; M495-I508 HydrophobicContact CE-CD1 3.49Å; M495-I508 VanDerWaalsContact CE-CD1 3.49Å; M495-I508 HydrophobicContact CE-CG1 4.46Å; M495-I508 HydrophobicContact CE-CG2 3.99Å; M495-I508 HydrophobicContact CG-CD1 4.14Å; M495-I508 PolarHBondContact O-N 3.22Å; M495-I508 HydrophobicContact SD-CD1 4.46Å; L497-I508 HydrophobicContact CB-CD1 4.13Å; L497-I508 HydrophobicContact CB-CG1 4.44Å; I506-I508 PolarHBondContact O-N 3.39Å; I508-D510 HydrophobicContact CG2-CB 4.2Å; I508-D510 PolarHBondContact O-N 3.45Å
509E63.5Low80.3Confident163 Ų16353.5 Ų53.576%0.76230%0.298SS*.  trans-72.2-19-173.1-65.8-160.2148.300113.8Q507 A511Q507-E509 PolarHBondContact O-N 3.07Å; E509-A511 PolarHBondContact O-N 3.49Å
510D63.9Low79.9Confident97 Ų9753.9 Ų53.952%0.51930%0.302SS..SBendtrans-59.1125.6178-68.6-37000110.4I508 I512I508-D510 HydrophobicContact CG2-CB 4.2Å; I508-D510 PolarHBondContact O-N 3.45Å; D510-I512 PolarHBondContact O-N 3.08Å
511A67.2Low80Confident86 Ų8652.6 Ų52.671%0.71129%0.294SS*.  trans-60.5114.3176.500000108.6E509 P513E509-A511 PolarHBondContact O-N 3.49Å; A511-P513 VanDerWaalsContact O-CD 3.29Å; A511-P513 WeakPolarHBondContact O-CD 3.48Å; A511-P513 VanDerWaalsContact O-N 3.08Å
512I83.1Confident79.9Confident7 Ų752.9 Ų52.94%0.03630%0.297CS..  trans-55.8119169.6-58.9-176.9000106.6I249 W271 V483 P493 N494 M495 D510 C514I249-I512 HydrophobicContact CD1-CG2 4.4Å; W271-I512 HydrophobicContact CH2-CG1 4.34Å; W271-I512 HydrophobicContact CH2-CG2 3.93Å; W271-I512 HydrophobicContact CZ2-CB 4.34Å; W271-I512 HydrophobicContact CZ2-CG1 3.98Å; W271-I512 HydrophobicContact CZ2-CG2 4.2Å; W271-I512 HydrophobicContact CZ3-CG2 4.36Å; V483-I512 HydrophobicContact CG1-CD1 3.57Å; P493-I512 HydrophobicContact CB-CB 3.77Å; P493-I512 HydrophobicContact CB-CD1 4.12Å; P493-I512 HydrophobicContact CB-CG1 4.4Å; P493-I512 HydrophobicContact CB-CG2 4.09Å; P493-I512 HydrophobicContact CG-CB 3.87Å; P493-I512 HydrophobicContact CG-CG2 4.38Å; P493-I512 VanDerWaalsContact CG-O 3.3Å; P493-I512 WeakPolarHBondContact CG-O 3.34Å; N494-I512 VanDerWaalsContact C-CD1 3.43Å; M495-I512 HydrophobicContact CB-CD1 3.85Å; M495-I512 HydrophobicContact CB-CG1 4.21Å; D510-I512 PolarHBondContact O-N 3.08Å; I512-C514 HydrophobicContact CG2-CB 3.76Å; I512-C514 PolarHBondContact O-N 2.98Å
513P85.9Confident80Confident53 Ų5352.5 Ų52.534%0.34430%0.296SS..  trans-73-12.9-175.429.3-35.1000112.4Y262 W271 A511Y262-P513 HydrophobicContact CD1-CB 4.18Å; Y262-P513 HydrophobicContact CD1-CG 3.56Å; Y262-P513 HydrophobicContact CE1-CB 3.73Å; Y262-P513 HydrophobicContact CE1-CG 3.64Å; Y262-P513 HydrophobicContact CG-CG 4.09Å; W271-P513 HydrophobicContact CB-CG 3.83Å; W271-P513 VanDerWaalsContact CD2-CD 3.46Å; W271-P513 HydrophobicContact CD2-CG 3.86Å; W271-P513 HydrophobicContact CE3-CG 4.04Å; W271-P513 HydrophobicContact CG-CG 3.78Å; A511-P513 VanDerWaalsContact O-CD 3.29Å; A511-P513 WeakPolarHBondContact O-CD 3.48Å; A511-P513 VanDerWaalsContact O-N 3.08Å
514C86.4Confident80.6Confident2 Ų246.1 Ų46.11%0.01426%0.262CS..SBendtrans-68.1127.8-179.6-168.50000112I249 Y262 I512 L518I249-C514 HydrophobicContact CG2-CB 4.14Å; Y262-C514 HydrophobicContact CD2-CB 3.67Å; Y262-C514 HydrophobicContact CE2-CB 4.2Å; Y262-C514 HydrophobicContact CG-CB 4.42Å; I512-C514 HydrophobicContact CG2-CB 3.76Å; I512-C514 PolarHBondContact O-N 2.98Å; C514-L518 HydrophobicContact CB-CD2 3.96Å; C514-L518 VanDerWaalsContact SG-CD2 3.59Å
515P87.3Confident80.7Confident52 Ų5246.8 Ų46.834%0.33826%0.255SS..PPolyproline II helixtrans-68.3150.6176.828.5-34000112.1G251 G252 A260G251-P515 CarbonylContact C-O 3.43Å; G252-P515 PolarHBondContact N-O 2.93Å; A260-P515 HydrophobicContact CB-CG 4.01Å
516L87.5Confident79.9Confident43 Ų4347 Ų4723%0.22525%0.254CS..SBendtrans-79.7158171.7-62-178.6000111.4G252 E485 A491 P493 L518G252-L516 CarbonylContact C-O 3.55Å; E485-L516 HydrophobicContact CB-CD1 4.32Å; E485-L516 HydrophobicContact CB-CD2 3.77Å; E485-L516 HydrophobicContact CG-CD2 3.88Å; E485-L516 WeakPolarHBondContact O-CD1 3.21Å; A491-L516 HydrophobicContact CB-CD1 4.15Å; P493-L516 HydrophobicContact CB-CD2 3.86Å; P493-L516 HydrophobicContact CG-CD2 4.47Å; L516-L518 HydrophobicContact CD2-CD1 4.23Å; L516-L518 HydrophobicContact CD2-CD2 4.35Å; L516-L518 HydrophobicContact CD2-CG 3.78Å
517P87.6Confident78.6Confident34 Ų3449.2 Ų49.222%0.22126%0.258CS..SBendcis-69.1151.4-11.929.4-36.4000112.2G251 G252 E485G251-P517 CarbonylContact C-O 3.53Å; G251-P517 VanDerWaalsContact CA-O 3.28Å; G251-P517 WeakPolarHBondContact CA-O 3.45Å; G252-P517 PolarHBondContact N-O 3.34Å; G252-P517 WeakPolarHBondContact O-CD 3.41Å; E485-P517 WeakPolarHBondContact OE1-CA 3.18Å; E485-P517 WeakPolarHBondContact OE1-CB 3.3Å
518L84.8Confident77.1Confident11 Ų1149.2 Ų49.26%0.05826%0.261CS..EExtended strand (participates in β ladder)trans-85135.1173.7-60.1179.1000108.6I249 C471 V483 E485 P493 C514 L516I249-L518 HydrophobicContact CG2-CD2 3.89Å; C471-L518 HydrophobicContact CB-CB 4.11Å; C471-L518 WeakPolarHBondContact SG-CB 3.47Å; C471-L518 WeakPolarHBondContact SG-CD1 3.38Å; V483-L518 HydrophobicContact CB-CD1 4.47Å; V483-L518 HydrophobicContact CG1-CD1 3.28Å; E485-L518 HydrophobicContact CG-CB 4.44Å; E485-L518 HydrophobicContact CG-CG 4.45Å; E485-L518 PolarHBondContact OE1-N 3.14Å; P493-L518 HydrophobicContact CB-CD1 4.14Å; C514-L518 HydrophobicContact CB-CD2 3.96Å; C514-L518 VanDerWaalsContact SG-CD2 3.59Å; L516-L518 HydrophobicContact CD2-CD1 4.23Å; L516-L518 HydrophobicContact CD2-CD2 4.35Å; L516-L518 HydrophobicContact CD2-CG 3.78Å
519R82.6Confident75.3Confident63 Ų6355.8 Ų55.824%0.23829%0.291CS..EExtended strand (participates in β ladder)trans-117.9-24.9-168.4-58.9-59.4-163.71758.5113.4L250 T283 Y285L250-R519 PolarHBondContact O-N 3.39Å; T283-R519 PolarHBondContact OG1-NH1 3.34Å; T283-R519 PolarHBondContact OG1-NH2 3.17Å; Y285-R519 HydrophobicContact CE1-CB 4.32Å; Y285-R519 HydrophobicContact CE1-CG 4.29Å; Y285-R519 HydrophobicContact CE2-CB 3.58Å; Y285-R519 HydrophobicContact CE2-CG 4.39Å; Y285-R519 VanDerWaalsContact CZ-CB 3.46Å; Y285-R519 WeakPolarHBondContact OH-CB 3.37Å; Y285-R519 VanDerWaalsContact OH-CG 3.31Å; Y285-R519 WeakPolarHBondContact OH-CG 3.49Å
520G82.3Confident74Confident9 Ų954.5 Ų54.59%0.09328%0.283CS..EExtended strand (participates in β ladder)trans-162.5150.1176.300000112.2I249 L250I249-G520 WeakPolarHBondContact CA-O 3.4Å; L250-G520 PolarHBondContact N-O 3.43Å; L250-G520 PolarHBondContact O-N 2.98Å
521C87.6Confident72.4Confident16 Ų1658.9 Ų58.911%0.10830%0.297CS..EExtended strand (participates in β ladder)trans-143.6115.8-178.5-177.20000106.9L247 Y248 G472L247-C521 WeakPolarHBondContact CD1-SG 3.47Å; Y248-C521 WeakPolarHBondContact O-CA 3.34Å; G472-C521 VanDerWaalsContact CA-CB 3.47Å
522V87.6Confident70.6Confident13 Ų1363.1 Ų63.18%0.07930%0.3CS..EExtended strand (participates in β ladder)trans-137.2141.8-176.1-62.70000110.8L247 Y248 V287 A289 V294L247-V522 WeakPolarHBondContact CD1-O 3.27Å; Y248-V522 PolarHBondContact N-O 3.35Å; Y248-V522 PolarHBondContact O-N 2.94Å; V287-V522 HydrophobicContact CB-CG1 4.29Å; V287-V522 HydrophobicContact CG1-CG1 3.92Å; V287-V522 HydrophobicContact CG1-CG2 4.25Å; V287-V522 VanDerWaalsContact O-CG1 3.27Å; V287-V522 WeakPolarHBondContact O-CG1 3.49Å; A289-V522 HydrophobicContact CB-CB 3.97Å; A289-V522 HydrophobicContact CB-CG2 4.02Å; V294-V522 HydrophobicContact CG1-CG2 4.14Å; V294-V522 HydrophobicContact CG2-CG2 4.34Å
523T86.4Confident68.1Low27 Ų2771.4 Ų71.417%0.16634%0.338CS..EExtended strand (participates in β ladder)trans-90.7140.8167.6-70.50000110.8E245 A289 T474 N475 V476E245-T523 HydrophobicContact CB-CG2 4.01Å; E245-T523 HydrophobicContact CG-CG2 4.3Å; A289-T523 VanDerWaalsContact CB-O 3.23Å; A289-T523 WeakPolarHBondContact CB-O 3.27Å; T474-T523 VanDerWaalsContact CB-OG1 3.31Å; T474-T523 WeakPolarHBondContact CB-OG1 3.33Å; T474-T523 WeakPolarHBondContact CG2-OG1 3.23Å; T474-T523 WeakPolarHBondContact OG1-CB 3.41Å; T474-T523 PolarHBondContact OG1-N 3.17Å; T474-T523 PolarHBondContact OG1-OG1 3.39Å; N475-T523 WeakPolarHBondContact O-CB 3.43Å; N475-T523 WeakPolarHBondContact O-CG2 3.4Å; N475-T523 PolarHBondContact O-OG1 3.22Å; V476-T523 HydrophobicContact CG2-CG2 3.83Å; V476-T523 WeakPolarHBondContact CG2-OG1 3.29Å
524M83Confident65.5Low2 Ų282.1 Ų82.11%0.0138%0.379CS..EExtended strand (participates in β ladder)trans-126.7126.8174.6-172.2-173.7-46.200109.7E245 T246 Y248 A289 V294 C317 I526E245-M524 WeakPolarHBondContact CA-O 2.98Å; T246-M524 PolarHBondContact N-O 3.36Å; T246-M524 PolarHBondContact O-N 3.45Å; Y248-M524 HydrophobicContact CD2-CB 4.22Å; Y248-M524 HydrophobicContact CD2-CE 3.52Å; Y248-M524 HydrophobicContact CE2-CB 4.24Å; Y248-M524 HydrophobicContact CE2-CE 3.4Å; Y248-M524 HydrophobicContact CE2-SD 3.92Å; Y248-M524 HydrophobicContact CG-CE 4.24Å; A289-M524 HydrophobicContact CB-CB 4.49Å; V294-M524 HydrophobicContact CB-CE 4.5Å; V294-M524 HydrophobicContact CG2-CE 3.28Å; C317-M524 HydrophobicContact CB-SD 3.96Å; C317-M524 WeakPolarHBondContact SG-CE 3.17Å; C317-M524 PolarHBondContact SG-SD 2.9Å; M524-I526 HydrophobicContact CG-CG1 3.86Å; M524-I526 PolarHBondContact O-N 3.18Å; M524-I526 HydrophobicContact SD-CD1 3.99Å; M524-I526 HydrophobicContact SD-CG1 3.75Å
525R72.5Confident64.5Low96 Ų9686.1 Ų86.136%0.36240%0.398SS..EExtended strand (participates in β ladder)trans-92.888.9177.4-165.9168.9-176.6161.41.9108.6D160 A243 E245 Y527D160-R525 IonicContact OD1-CZ 3.45Å; D160-R525 IonicContact OD1-NH2 2.83Å; D160-R525 PolarHBondContact OD1-NH2 3.08Å; A243-R525 HydrophobicContact CB-CG 3.37Å; E245-R525 HydrophobicContact CG-CB 4.01Å; E245-R525 HydrophobicContact CG-CG 3.75Å; E245-R525 WeakPolarHBondContact OE1-CD 3.5Å; E245-R525 IonicContact OE1-CZ 2.86Å; E245-R525 IonicContact OE1-NE 2.77Å; E245-R525 IonicContact OE1-NH1 3.3Å; R525-Y527 HydrophobicContact CG-CE2 4.41Å; R525-Y527 PolarHBondContact O-N 3.35Å
526I62.7Low63.3Low31 Ų3187.9 Ų87.916%0.15940%0.401CS..EExtended strand (participates in β ladder)trans-82.1112.2-178.5-57.9174.3000108.7A243 S244 M524 L528A243-I526 VanDerWaalsContact CA-O 3.23Å; A243-I526 WeakPolarHBondContact CA-O 2.99Å; S244-I526 PolarHBondContact N-O 3.07Å; S244-I526 VanDerWaalsContact N-O 3.13Å; S244-I526 PolarHBondContact O-N 3.19Å; M524-I526 HydrophobicContact CG-CG1 3.86Å; M524-I526 PolarHBondContact O-N 3.18Å; M524-I526 HydrophobicContact SD-CD1 3.99Å; M524-I526 HydrophobicContact SD-CG1 3.75Å; I526-L528 PolarHBondContact O-N 3.3Å
527Y53.4Low61.9Low121 Ų12190.4 Ų90.448%0.47541%0.411SS..EExtended strand (participates in β ladder)trans-77.2114.4167.3-64.4-84.5000108.1A243 R525 Q529A243-Y527 HydrophobicContact CB-CD1 4.27Å; A243-Y527 HydrophobicContact CB-CE1 4.05Å; R525-Y527 HydrophobicContact CG-CE2 4.41Å; R525-Y527 PolarHBondContact O-N 3.35Å; Y527-Q529 VanDerWaalsContact C-N 3.3Å; Y527-Q529 PolarHBondContact O-N 2.91Å
528L47.7Very low60.4Low82 Ų8293.7 Ų93.743%0.42942%0.422SS..  trans-60.995.5170.9-69.8172.8000108.8I526 K530I526-L528 PolarHBondContact O-N 3.3Å; L528-K530 PolarHBondContact O-N 3.26Å
529Q38.9Very low58.9Low163 Ų16398.9 Ų98.976%0.76245%0.445SS*.  trans-57.5136.5177.4-74.7-173.6-4.200109.7Y527 K531Y527-Q529 VanDerWaalsContact C-N 3.3Å; Y527-Q529 PolarHBondContact O-N 2.91Å; Q529-K531 PolarHBondContact O-N 3.29Å
530K36.3Very low57.3Low136 Ų136101.3 Ų101.359%0.59146%0.458SS*.  trans-55.5107165.8-76.9179.9175.81760107.8L528 F532L528-K530 PolarHBondContact O-N 3.26Å; K530-F532 HydrophobicContact CB-CD2 3.99Å; K530-F532 HydrophobicContact CB-CE2 3.84Å; K530-F532 HydrophobicContact CD-CE2 4.03Å; K530-F532 HydrophobicContact CD-CZ 4Å; K530-F532 PolarHBondContact O-N 3.27Å
531K30.3Very low55.5Low190 Ų190107.9 Ų107.983%0.82649%0.485SS*.  trans-63.894.7157.1-84.3-171.6175.5-176.40106.2Q529 E533Q529-K531 PolarHBondContact O-N 3.29Å; K531-E533 PolarHBondContact O-N 3.24Å
532F29.7Very low53.1Low174 Ų174114.9 Ų114.976%0.76351%0.514SS*.  trans-68.193.5159.3-75.8-84.3000106K530 K534K530-F532 HydrophobicContact CB-CD2 3.99Å; K530-F532 HydrophobicContact CB-CE2 3.84Å; K530-F532 HydrophobicContact CD-CE2 4.03Å; K530-F532 HydrophobicContact CD-CZ 4Å; K530-F532 PolarHBondContact O-N 3.27Å; F532-K534 PolarHBondContact O-N 2.8Å
533E30.2Very low50.2Low181 Ų181123.4 Ų123.485%0.84655%0.55SS*.  trans-62.4121.5158.6-72.4-178.6169.300106.6K531K531-E533 PolarHBondContact O-N 3.24Å
534K31.1Very low46.9Very low278 Ų278132.2 Ų132.2100%1.20959%0.585SS**  trans-74.70175.5-95.4-174176.4178.70111.2F532F532-K534 PolarHBondContact O-N 2.8Å

Retrieved 534 of 534 residues in 110.8 ms (Link to these results)

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