A0A096MCN0_POEFO Loading...

Nectin cell adhesion molecule 1

Cell adhesion molecule that promotes cell-cell contacts and plays important roles in the development of the nervous system. Acts by forming homophilic or heterophilic trans-dimers.

AlphaFold DB , UniProt , Accession A0A096MCN0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 492 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
1M55.6Low64.4Low210 Ų210114.5 Ų114.5100%1.03461%0.614SS**  0-520-80.1-179.5-82.500111.2L3 F4 A5M1-L3 PolarHBondContact O-N 3.39Å; M1-L3 VanDerWaalsContact O-N 3.15Å; M1-F4 PolarHBondContact O-N 3.36Å; M1-A5 PolarHBondContact O-N 3.4Å
2E56.8Low64.1Low166 Ų166113.7 Ų113.778%0.77661%0.609SS**Hα-helixtrans-33.6-56.5173.5-60.3-56.6109.500115.8F4 A5 G6E2-F4 VanDerWaalsContact C-N 3.3Å; E2-F4 PolarHBondContact O-N 3.47Å; E2-A5 PolarHBondContact O-N 3.23Å; E2-A5 VanDerWaalsContact O-N 3.12Å; E2-G6 PolarHBondContact O-N 3.01Å
3L57.3Low63.7Low157 Ų157118.5 Ų118.582%0.82261%0.613SS**Hα-helixtrans-58.9-35-179.4-83156.4000114.2M1 M7M1-L3 PolarHBondContact O-N 3.39Å; M1-L3 VanDerWaalsContact O-N 3.15Å; L3-M7 WeakPolarHBondContact O-CB 3.44Å; L3-M7 PolarHBondContact O-N 3.18Å; L3-M7 VanDerWaalsContact O-N 3.12Å
4F59.8Low63Low147 Ų147116.4 Ų116.465%0.64560%0.603SS**Hα-helixtrans-74.7-38.1176.2-102-93.5000111.5M1 E2 M7 L8M1-F4 PolarHBondContact O-N 3.36Å; E2-F4 VanDerWaalsContact C-N 3.3Å; E2-F4 PolarHBondContact O-N 3.47Å; F4-M7 HydrophobicContact CD1-CE 4.03Å; F4-M7 HydrophobicContact CE1-CE 3.95Å; F4-M7 HydrophobicContact CG-CE 4.41Å; F4-M7 HydrophobicContact CZ-CE 4.27Å; F4-M7 PolarHBondContact O-N 2.92Å; F4-L8 WeakPolarHBondContact O-CB 3.47Å; F4-L8 PolarHBondContact O-N 3.28Å
5A64.3Low62.2Low62 Ų62118.4 Ų118.451%0.51261%0.608SS.*Hα-helixtrans-65.6-43.7176.200000111.7M1 E2 L8 A9M1-A5 PolarHBondContact O-N 3.4Å; E2-A5 PolarHBondContact O-N 3.23Å; E2-A5 VanDerWaalsContact O-N 3.12Å; A5-L8 PolarHBondContact O-N 2.88Å; A5-A9 VanDerWaalsContact O-CB 3.32Å; A5-A9 WeakPolarHBondContact O-CB 3.4Å; A5-A9 PolarHBondContact O-N 2.86Å
6G71.6Confident61.4Low43 Ų43118.1 Ų118.144%0.44361%0.613SS.*Hα-helixtrans-62.2-41.5174.400000112.8E2 A9 F10E2-G6 PolarHBondContact O-N 3.01Å; G6-A9 PolarHBondContact O-N 3.41Å; G6-F10 WeakPolarHBondContact O-CB 3.47Å; G6-F10 PolarHBondContact O-N 2.86Å
7M71.5Confident60.4Low99 Ų99119.7 Ų119.749%0.48862%0.617SS.*Hα-helixtrans-67.6-38.6176-172.317160.200112.4L3 F4 F10 L11L3-M7 WeakPolarHBondContact O-CB 3.44Å; L3-M7 PolarHBondContact O-N 3.18Å; L3-M7 VanDerWaalsContact O-N 3.12Å; F4-M7 HydrophobicContact CD1-CE 4.03Å; F4-M7 HydrophobicContact CE1-CE 3.95Å; F4-M7 HydrophobicContact CG-CE 4.41Å; F4-M7 HydrophobicContact CZ-CE 4.27Å; F4-M7 PolarHBondContact O-N 2.92Å; M7-F10 PolarHBondContact O-N 3.01Å; M7-L11 HydrophobicContact CG-CD1 4.27Å; M7-L11 WeakPolarHBondContact O-CB 3.5Å; M7-L11 VanDerWaalsContact O-CG 3.26Å; M7-L11 WeakPolarHBondContact O-CG 3.45Å; M7-L11 PolarHBondContact O-N 3.46Å
8L69Low59.7Low105 Ų105116.7 Ų116.755%0.5561%0.613SS.*Hα-helixtrans-68.6-38.9174.9-131.2117.7000111.8F4 A5 L11 L12F4-L8 WeakPolarHBondContact O-CB 3.47Å; F4-L8 PolarHBondContact O-N 3.28Å; A5-L8 PolarHBondContact O-N 2.88Å; L8-L11 PolarHBondContact O-N 2.95Å; L8-L12 HydrophobicContact CD2-CD1 4.25Å; L8-L12 WeakPolarHBondContact O-CB 3.34Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.3Å; L8-L12 PolarHBondContact O-N 2.97Å
9A68.8Low59.3Low56 Ų56117.2 Ų117.246%0.46362%0.621SS.*Hα-helixtrans-65.8-39.317400000111.9A5 G6 L12 W13A5-A9 VanDerWaalsContact O-CB 3.32Å; A5-A9 WeakPolarHBondContact O-CB 3.4Å; A5-A9 PolarHBondContact O-N 2.86Å; G6-A9 PolarHBondContact O-N 3.41Å; A9-L12 PolarHBondContact O-N 3.04Å; A9-W13 WeakPolarHBondContact O-CB 3.37Å; A9-W13 PolarHBondContact O-N 2.92Å
10F68Low59.2Low118 Ų118119.8 Ų119.852%0.51863%0.629SS.*Hα-helixtrans-69.1-39.4175.2-164.4-103.8000112G6 M7 W13 L14G6-F10 WeakPolarHBondContact O-CB 3.47Å; G6-F10 PolarHBondContact O-N 2.86Å; M7-F10 PolarHBondContact O-N 3.01Å; F10-W13 HydrophobicContact CD2-CE3 4.17Å; F10-W13 HydrophobicContact CE2-CE3 4.29Å; F10-W13 PolarHBondContact O-N 3.37Å; F10-L14 HydrophobicContact CD1-CD1 3.66Å; F10-L14 HydrophobicContact CD1-CG 4.26Å; F10-L14 HydrophobicContact CE1-CD1 3.65Å; F10-L14 HydrophobicContact CE1-CG 4.16Å; F10-L14 WeakPolarHBondContact O-CB 3.48Å; F10-L14 VanDerWaalsContact O-CG 3.31Å; F10-L14 WeakPolarHBondContact O-CG 3.3Å; F10-L14 PolarHBondContact O-N 2.88Å
11L65.5Low59.5Low96 Ų96115.5 Ų115.550%0.50361%0.614SS.*Hα-helixtrans-64.4-40.9171.3-74.1167.7000111.8M7 L8 W13 L14 Q15M7-L11 HydrophobicContact CG-CD1 4.27Å; M7-L11 WeakPolarHBondContact O-CB 3.5Å; M7-L11 VanDerWaalsContact O-CG 3.26Å; M7-L11 WeakPolarHBondContact O-CG 3.45Å; M7-L11 PolarHBondContact O-N 3.46Å; L8-L11 PolarHBondContact O-N 2.95Å; L11-W13 VanDerWaalsContact C-N 3.33Å; L11-L14 PolarHBondContact O-N 2.92Å; L11-Q15 WeakPolarHBondContact O-CB 3.46Å; L11-Q15 WeakPolarHBondContact O-CG 3.35Å; L11-Q15 PolarHBondContact O-N 2.94Å
12L61.1Low60.8Low105 Ų105106.5 Ų106.555%0.5557%0.569SS.*Hα-helixtrans-63.8-36.9172-79.3163.5000111.7L8 A9 Q15 V16L8-L12 HydrophobicContact CD2-CD1 4.25Å; L8-L12 WeakPolarHBondContact O-CB 3.34Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.3Å; L8-L12 PolarHBondContact O-N 2.97Å; A9-L12 PolarHBondContact O-N 3.04Å; L12-Q15 CarbonylContact O-C 3.56Å; L12-Q15 PolarHBondContact O-N 2.82Å; L12-V16 VanDerWaalsContact O-CG2 3.31Å; L12-V16 WeakPolarHBondContact O-CG2 3.39Å; L12-V16 PolarHBondContact O-N 3.25Å
13W58.3Low62.3Low176 Ų176101.3 Ų101.367%0.66755%0.551SS**Hα-helixtrans-71.1-38.7177.4-160.526.1000112.1A9 F10 L11 Q15 V16 Q17A9-W13 WeakPolarHBondContact O-CB 3.37Å; A9-W13 PolarHBondContact O-N 2.92Å; F10-W13 HydrophobicContact CD2-CE3 4.17Å; F10-W13 HydrophobicContact CE2-CE3 4.29Å; F10-W13 PolarHBondContact O-N 3.37Å; L11-W13 VanDerWaalsContact C-N 3.33Å; W13-Q15 VanDerWaalsContact C-N 3.31Å; W13-Q15 PolarHBondContact O-N 2.98Å; W13-V16 PolarHBondContact O-N 3.45Å; W13-Q17 PolarHBondContact O-N 2.89Å
14L54.3Low64Low90 Ų9094.1 Ų94.147%0.47151%0.514SS..Hα-helixtrans-62.8-35.1168.6-74166.7000112.3F10 L11 Q17F10-L14 HydrophobicContact CD1-CD1 3.66Å; F10-L14 HydrophobicContact CD1-CG 4.26Å; F10-L14 HydrophobicContact CE1-CD1 3.65Å; F10-L14 HydrophobicContact CE1-CG 4.16Å; F10-L14 WeakPolarHBondContact O-CB 3.48Å; F10-L14 VanDerWaalsContact O-CG 3.31Å; F10-L14 WeakPolarHBondContact O-CG 3.3Å; F10-L14 PolarHBondContact O-N 2.88Å; L11-L14 PolarHBondContact O-N 2.92Å; L14-Q17 CarbonylContact O-C 3.26Å; L14-Q17 PolarHBondContact O-N 2.89Å
15Q51.8Low65.6Low146 Ų14691.4 Ų91.468%0.68250%0.503SS*.Hα-helixtrans-76.5-25.3174-69.4-79-31.900112.8L11 L12 W13 A18L11-Q15 WeakPolarHBondContact O-CB 3.46Å; L11-Q15 WeakPolarHBondContact O-CG 3.35Å; L11-Q15 PolarHBondContact O-N 2.94Å; L12-Q15 CarbonylContact O-C 3.56Å; L12-Q15 PolarHBondContact O-N 2.82Å; W13-Q15 VanDerWaalsContact C-N 3.31Å; W13-Q15 PolarHBondContact O-N 2.98Å; Q15-A18 WeakPolarHBondContact O-CB 3.42Å; Q15-A18 PolarHBondContact O-N 2.87Å
16V49.4Very low67.1Low114 Ų11489.5 Ų89.569%0.69148%0.484SS*.Hα-helixtrans-77.9-24.6169.9170.30000111.3L12 W13 A18L12-V16 VanDerWaalsContact O-CG2 3.31Å; L12-V16 WeakPolarHBondContact O-CG2 3.39Å; L12-V16 PolarHBondContact O-N 3.25Å; W13-V16 PolarHBondContact O-N 3.45Å; V16-A18 PolarHBondContact O-N 3.41Å
17Q44.2Very low68.3Low145 Ų14589.6 Ų89.668%0.67847%0.474SS*.THydrogen-bonded Turntrans-7627.5155.8-66-158.4-12.600112.8W13 L14 V19W13-Q17 PolarHBondContact O-N 2.89Å; L14-Q17 CarbonylContact O-C 3.26Å; L14-Q17 PolarHBondContact O-N 2.89Å; Q17-V19 PolarHBondContact O-N 3.3Å
18A47.2Very low69.2Low65 Ų6589.5 Ų89.554%0.53748%0.483SS..  trans-49.3107155.600000108Q15 V16 H20Q15-A18 WeakPolarHBondContact O-CB 3.42Å; Q15-A18 PolarHBondContact O-N 2.87Å; V16-A18 PolarHBondContact O-N 3.41Å; A18-H20 PolarHBondContact O-N 3.49Å
19V51.8Low70.4Confident127 Ų12788 Ų8877%0.7748%0.481SS*.  trans-37109.3-176.3179.40000109.3Q17 G21Q17-V19 PolarHBondContact O-N 3.3Å; V19-G21 PolarHBondContact O-N 3.29Å
20H57.1Low71.8Confident168 Ų16888.4 Ų88.478%0.77847%0.473SS*.  trans-58.3103.9151.2-77.159.3000103.6A18 N46A18-H20 PolarHBondContact O-N 3.49Å; H20-N46 PolarHBondContact O-ND2 3.39Å
21G66.8Low73.1Confident30 Ų3085.9 Ų85.931%0.30947%0.47SS..  trans-95.1165.4-179.300000110.7V19 S23 N46V19-G21 PolarHBondContact O-N 3.29Å; G21-S23 PolarHBondContact O-N 3Å; G21-N46 PolarHBondContact N-ND2 3.38Å; G21-N46 PolarHBondContact O-ND2 3.3Å
22Q82.3Confident74.6Confident21 Ų2181.6 Ų81.610%0.09845%0.449CS..  trans-58.3122.5165.2-71.7165.95.300109.1F44 N46 P49Q22-F44 HydrophobicContact CB-CE1 4.49Å; Q22-F44 HydrophobicContact CB-CE2 4.45Å; Q22-F44 HydrophobicContact CB-CZ 3.81Å; Q22-F44 HydrophobicContact CG-CE1 4.34Å; Q22-F44 HydrophobicContact CG-CZ 3.99Å; Q22-N46 WeakPolarHBondContact CG-O 3.42Å; Q22-P49 PolarHBondContact NE2-O 2.97Å
23S88.2Confident76.3Confident57 Ų5778.9 Ų78.940%0.39943%0.433SS..EExtended strand (participates in β ladder)trans-146.5161.1-177.156.80000112G21 V45G21-S23 PolarHBondContact O-N 3Å; S23-V45 PolarHBondContact N-O 2.9Å; S23-V45 WeakPolarHBondContact O-CG2 3.45Å; S23-V45 PolarHBondContact O-N 3.35Å; S23-V45 VanDerWaalsContact OG-CG2 3.29Å; S23-V45 WeakPolarHBondContact OG-CG2 3.13Å
24V93.1Very high78.1Confident7 Ų773.6 Ų73.64%0.04242%0.42CS..EExtended strand (participates in β ladder)trans-102.9113.1177.3-177.40000108.2M26 C42 F44 Y123 R131 N133V24-M26 HydrophobicContact CG1-CG 4.04Å; V24-M26 HydrophobicContact CG1-SD 4.34Å; V24-C42 WeakPolarHBondContact CG1-SG 3.42Å; V24-F44 HydrophobicContact CG2-CD2 4.35Å; V24-Y123 HydrophobicContact CB-CD2 4.45Å; V24-Y123 HydrophobicContact CG1-CD2 4.01Å; V24-Y123 HydrophobicContact CG1-CE2 4.05Å; V24-Y123 HydrophobicContact CG2-CD2 3.58Å; V24-Y123 HydrophobicContact CG2-CE2 4.33Å; V24-Y123 HydrophobicContact CG2-CG 4.32Å; V24-R131 HydrophobicContact CG2-CB 3.8Å; V24-R131 WeakPolarHBondContact CG2-O 3.47Å; V24-N133 HydrophobicContact CB-CB 3.91Å; V24-N133 HydrophobicContact CG1-CB 4.12Å; V24-N133 WeakPolarHBondContact O-CB 3.45Å; V24-N133 PolarHBondContact O-ND2 3.45Å
25Q94.4Very high80Confident89 Ų8971.6 Ų71.642%0.41642%0.421SS..EExtended strand (participates in β ladder)trans-84.9120.9178.1-170.4177.818.600110.2I43 V45Q25-I43 PolarHBondContact N-O 3.4Å; Q25-I43 PolarHBondContact O-N 2.97Å; Q25-V45 HydrophobicContact CB-CG1 4.05Å; Q25-V45 HydrophobicContact CB-CG2 4.37Å
26M95.3Very high82.1Confident22 Ų2267.3 Ų67.311%0.10841%0.405CS..EExtended strand (participates in β ladder)trans-137.4163.1176.1-59.1-172.474.300110.2V24 R41 C42 W58 C121 N133 V135V24-M26 HydrophobicContact CG1-CG 4.04Å; V24-M26 HydrophobicContact CG1-SD 4.34Å; M26-R41 WeakPolarHBondContact CG-O 3.16Å; M26-C42 HydrophobicContact CE-CB 4.3Å; M26-C42 HydrophobicContact CG-CB 4.35Å; M26-W58 HydrophobicContact CE-CH2 3.34Å; M26-W58 HydrophobicContact CE-CZ2 4.3Å; M26-W58 HydrophobicContact CE-CZ3 3.52Å; M26-C121 HydrophobicContact CE-CB 3.72Å; M26-C121 HydrophobicContact SD-CB 3.58Å; M26-C121 VanDerWaalsContact SD-CB 3.58Å; M26-N133 HydrophobicContact CG-CB 4.03Å; M26-N133 HydrophobicContact SD-CB 3.82Å; M26-V135 HydrophobicContact CE-CB 4.06Å; M26-V135 HydrophobicContact CE-CG1 3.62Å
27D95.3Very high84.4Confident46 Ų4667.9 Ų67.925%0.24640%0.4CS..  trans-73.5143.1165.6-61.6-89.7000110.4K30 R41 V135D27-K30 HydrophobicContact CB-CD 4.31Å; D27-K30 HydrophobicContact CB-CG 4.23Å; D27-K30 IonicContact OD1-NZ 3.53Å; D27-K30 PolarHBondContact OD1-NZ 2.9Å; D27-K30 WeakPolarHBondContact OD2-CE 3.32Å; D27-K30 IonicContact OD2-NZ 3.12Å; D27-K30 PolarHBondContact OD2-NZ 3.49Å; D27-R41 WeakPolarHBondContact OD2-CB 3.31Å; D27-V135 HydrophobicContact CB-CG2 4.36Å; D27-V135 WeakPolarHBondContact O-CB 3.37Å; D27-V135 WeakPolarHBondContact O-CG2 3.3Å
28S90.6Very high86.9Confident97 Ų9761.7 Ų61.768%0.67837%0.372SS*.SBendtrans-72.1-30178.457.50000113.4N136S28-N136 PolarHBondContact O-N 2.95Å
29S95.8Very high89.2Confident72 Ų7262 Ų6250%0.50336%0.362SS..EExtended strand (participates in β ladder)trans-148.7151.6170.158.50000111.5N136S29-N136 CarbonylContact C-O 3.55Å; S29-N136 VanDerWaalsContact CA-O 3.32Å; S29-N136 WeakPolarHBondContact CA-O 3.3Å
30K96.8Very high91.4Very high65 Ų6556 Ų5628%0.28333%0.326SS..EExtended strand (participates in β ladder)trans-133.1154.3169.7-77.6-60.3-166.1-146.70109.5D27 L40 V135 N136 L137 T138D27-K30 HydrophobicContact CB-CD 4.31Å; D27-K30 HydrophobicContact CB-CG 4.23Å; D27-K30 IonicContact OD1-NZ 3.53Å; D27-K30 PolarHBondContact OD1-NZ 2.9Å; D27-K30 WeakPolarHBondContact OD2-CE 3.32Å; D27-K30 IonicContact OD2-NZ 3.12Å; D27-K30 PolarHBondContact OD2-NZ 3.49Å; K30-L40 HydrophobicContact CB-CD2 3.93Å; K30-L40 HydrophobicContact CG-CD2 3.99Å; K30-V135 HydrophobicContact CB-CG2 4.15Å; K30-V135 HydrophobicContact CG-CG2 3.96Å; K30-N136 PolarHBondContact N-O 3.26Å; K30-N136 VanDerWaalsContact O-O 3.13Å; K30-L137 HydrophobicContact CB-CD1 4.23Å; K30-L137 WeakPolarHBondContact O-CA 3.47Å; K30-T138 PolarHBondContact O-N 2.85Å
31S96.4Very high93.3Very high65 Ų6552.9 Ų52.946%0.45531%0.307SS..EExtended strand (participates in β ladder)trans-144.3145.4173.765.50000111.5T138 F140S31-T138 WeakPolarHBondContact CA-O 3.5Å; S31-T138 WeakPolarHBondContact CB-O 3.41Å; S31-F140 WeakPolarHBondContact OG-CE2 3.33Å
32G96.4Very high94.7Very high7 Ų751.5 Ų51.57%0.07229%0.292CS..EExtended strand (participates in β ladder)trans-147.9172174.100000111.7T138 F140G32-T138 PolarHBondContact N-O 2.93Å; G32-F140 PolarHBondContact O-N 2.87Å
33F96.6Very high95.3Very high47 Ų4752 Ų5221%0.20630%0.296CS..EExtended strand (participates in β ladder)trans-93.2149.6175.8-69.5-80.7000111G35 T36 F140 R142 Y226F33-G35 PolarHBondContact O-N 3.46Å; F33-T36 HydrophobicContact CB-CG2 3.82Å; F33-T36 PolarHBondContact N-OG1 2.97Å; F33-T36 VanDerWaalsContact N-OG1 3.07Å; F33-T36 WeakPolarHBondContact O-CB 3.38Å; F33-T36 PolarHBondContact O-N 3.36Å; F33-T36 PolarHBondContact O-OG1 3.46Å; F33-F140 CarbonylContact C-O 3.36Å; F33-F140 VanDerWaalsContact CA-O 3.27Å; F33-F140 WeakPolarHBondContact CA-O 3.5Å; F33-F140 HydrophobicContact CD1-CB 3.59Å; F33-F140 HydrophobicContact CE1-CB 3.68Å; F33-F140 HydrophobicContact CE1-CG 4.5Å; F33-F140 HydrophobicContact CG-CB 4.37Å; F33-R142 HydrophobicContact CD1-CG 3.68Å; F33-R142 HydrophobicContact CE1-CG 3.7Å; F33-R142 HydrophobicContact CG-CG 4.5Å; F33-Y226 AromaticContact CE1-CE1 3.92Å; F33-Y226 HydrophobicContact CE1-CE1 3.92Å; F33-Y226 WeakPolarHBondContact CE1-OH 3.45Å
34V96.5Very high95.5Very high66 Ų6649.6 Ų49.640%0.428%0.278SS..THydrogen-bonded Turntrans-51.5134.2168.7178.30000109.6T36 L111 L113 V139 F140 A141V34-T36 VanDerWaalsContact C-N 3.3Å; V34-T36 PolarHBondContact O-N 2.93Å; V34-L111 CarbonylContact C-O 3.38Å; V34-L111 VanDerWaalsContact CA-O 3.31Å; V34-L111 WeakPolarHBondContact CA-O 3.38Å; V34-L113 HydrophobicContact CG2-CD2 3.78Å; V34-L113 HydrophobicContact CG2-CG 3.72Å; V34-V139 HydrophobicContact CG2-CG1 3.71Å; V34-F140 PolarHBondContact N-O 2.79Å; V34-A141 HydrophobicContact CG2-CB 4.29Å
35G94.9Very high95.3Very high47 Ų4751.3 Ų51.349%0.48529%0.288SS..THydrogen-bonded Turntrans83.5-7.1-177.200000115.5F33 N110 L111F33-G35 PolarHBondContact O-N 3.46Å; G35-N110 WeakPolarHBondContact CA-OD1 3.38Å; G35-L111 PolarHBondContact N-O 2.79Å
36T95.8Very high94.6Very high56 Ų5650 Ų5034%0.34428%0.284SS..SBendtrans-96.9160.3-17965.30000113.1F33 V34 L111F33-T36 HydrophobicContact CB-CG2 3.82Å; F33-T36 PolarHBondContact N-OG1 2.97Å; F33-T36 VanDerWaalsContact N-OG1 3.07Å; F33-T36 WeakPolarHBondContact O-CB 3.38Å; F33-T36 PolarHBondContact O-N 3.36Å; F33-T36 PolarHBondContact O-OG1 3.46Å; V34-T36 VanDerWaalsContact C-N 3.3Å; V34-T36 PolarHBondContact O-N 2.93Å; T36-L111 WeakPolarHBondContact O-CB 3.39Å; T36-L111 PolarHBondContact O-N 2.87Å; T36-L111 VanDerWaalsContact O-N 3.15Å
37Q96.6Very high93.3Very high127 Ų12751.4 Ų51.459%0.59330%0.296SS*.  trans-81.3135.8173-177.6-179.7-29.100110.8V107 F108Q37-V107 HydrophobicContact CG-CG1 3.53Å; Q37-F108 CarbonylContact C-O 3.54Å; Q37-F108 WeakPolarHBondContact CA-O 3.04Å; Q37-F108 WeakPolarHBondContact CG-O 3.39Å
38V96.9Very high92.2Very high14 Ų1455 Ų559%0.08532%0.315CS..EExtended strand (participates in β ladder)trans-137.2135.5176.71760000110.8L40 V107 F108 L111 L137V38-L40 HydrophobicContact CG1-CD2 4.25Å; V38-V107 WeakPolarHBondContact O-CA 3.45Å; V38-F108 PolarHBondContact N-O 2.83Å; V38-F108 PolarHBondContact O-N 3.28Å; V38-L111 HydrophobicContact CG2-CD2 3.89Å; V38-L137 HydrophobicContact CG1-CD1 4.19Å
39E96.4Very high91.2Very high72 Ų7254.7 Ų54.734%0.33631%0.311SS..EExtended strand (participates in β ladder)trans-99.5130.7173.6-50.7-168.9153.200110.9K91 T105 I106 V107E39-K91 WeakPolarHBondContact OE1-CD 3.42Å; E39-K91 VanDerWaalsContact OE1-CE 3.28Å; E39-K91 WeakPolarHBondContact OE1-CE 3.46Å; E39-K91 IonicContact OE1-NZ 2.79Å; E39-K91 PolarHBondContact OE1-NZ 2.91Å; E39-K91 IonicContact OE2-NZ 3.11Å; E39-K91 PolarHBondContact OE2-NZ 3.31Å; E39-T105 HydrophobicContact CB-CG2 4.22Å; E39-I106 WeakPolarHBondContact CA-O 3.03Å; E39-V107 HydrophobicContact CG-CG1 4.43Å; E39-V107 HydrophobicContact CG-CG2 4.12Å
40L97.5Very high90.5Very high0 Ų056.6 Ų56.60%032%0.322CS..EExtended strand (participates in β ladder)trans-104103.2168.6-57.6-171.7000108.3K30 V38 W58 T105 I106 F108 Y119 V135 L137K30-L40 HydrophobicContact CB-CD2 3.93Å; K30-L40 HydrophobicContact CG-CD2 3.99Å; V38-L40 HydrophobicContact CG1-CD2 4.25Å; L40-W58 HydrophobicContact CB-CH2 3.5Å; L40-W58 HydrophobicContact CB-CZ2 4.34Å; L40-W58 HydrophobicContact CB-CZ3 3.95Å; L40-W58 HydrophobicContact CD1-CH2 4.47Å; L40-W58 HydrophobicContact CD1-CZ3 4.07Å; L40-W58 WeakPolarHBondContact O-CH2 3.39Å; L40-W58 WeakPolarHBondContact O-CZ2 3.02Å; L40-T105 WeakPolarHBondContact O-CA 3.43Å; L40-I106 HydrophobicContact CB-CG1 4.01Å; L40-I106 HydrophobicContact CD1-CD1 4.36Å; L40-I106 PolarHBondContact N-O 2.7Å; L40-I106 PolarHBondContact O-N 2.82Å; L40-F108 HydrophobicContact CD1-CD2 4.44Å; L40-F108 HydrophobicContact CD1-CE2 3.74Å; L40-F108 HydrophobicContact CG-CD2 4.41Å; L40-F108 HydrophobicContact CG-CE2 4.18Å; L40-Y119 HydrophobicContact CD1-CD1 4.19Å; L40-Y119 HydrophobicContact CD1-CD2 4Å; L40-Y119 HydrophobicContact CD1-CG 3.75Å; L40-V135 HydrophobicContact CB-CG1 4.3Å; L40-V135 HydrophobicContact CD1-CG1 4.04Å; L40-V135 HydrophobicContact CD2-CG1 4.13Å; L40-V135 HydrophobicContact CD2-CG2 4.46Å; L40-V135 HydrophobicContact CG-CG1 4.4Å; L40-L137 HydrophobicContact CD1-CD2 4.36Å; L40-L137 HydrophobicContact CD2-CD1 4.28Å; L40-L137 HydrophobicContact CD2-CD2 4.42Å
41R96.4Very high90Very high104 Ų10454.5 Ų54.539%0.39232%0.315SS..  trans-68.1132-176.8-171.8178.6179.6-167.8-1.6110.9M26 D27 I43 T105M26-R41 WeakPolarHBondContact CG-O 3.16Å; D27-R41 WeakPolarHBondContact OD2-CB 3.31Å; R41-I43 HydrophobicContact CG-CD1 4.28Å; R41-I43 HydrophobicContact CG-CG1 4.19Å; R41-I43 VanDerWaalsContact NE-CD1 3.34Å; R41-T105 WeakPolarHBondContact CA-OG1 3.27Å
42C96.1Very high89.6Confident0 Ų058.8 Ų58.80%033%0.325CS..EExtended strand (participates in β ladder)trans-146114.8170.2-174.10000110.9V24 M26 W58 T104 T105 C121 Y123V24-C42 WeakPolarHBondContact CG1-SG 3.42Å; M26-C42 HydrophobicContact CE-CB 4.3Å; M26-C42 HydrophobicContact CG-CB 4.35Å; C42-W58 HydrophobicContact CB-CH2 3.87Å; C42-W58 HydrophobicContact CB-CZ2 3.27Å; C42-T104 PolarHBondContact O-N 2.03Å; C42-T105 PolarHBondContact N-OG1 2.87Å; C42-T105 PolarHBondContact O-N 2.92Å; C42-C121 HydrophobicContact CB-CB 3.78Å; C42-C121 WeakPolarHBondContact CB-SG 3.43Å; C42-C121 WeakPolarHBondContact SG-CB 3.43Å; C42-C121 CovalentContact SG-SG 2.02Å; C42-C121 PolarHBondContact SG-SG 2.9Å; C42-Y123 VanDerWaalsContact SG-CE2 3.54Å
43I94.5Very high89.3Confident32 Ų3259.4 Ų59.416%0.16433%0.326CS..EExtended strand (participates in β ladder)trans-131.2130-176.4-59-174.4000109.4Q25 R41 V45 E102 D103Q25-I43 PolarHBondContact N-O 3.4Å; Q25-I43 PolarHBondContact O-N 2.97Å; R41-I43 HydrophobicContact CG-CD1 4.28Å; R41-I43 HydrophobicContact CG-CG1 4.19Å; R41-I43 VanDerWaalsContact NE-CD1 3.34Å; I43-V45 HydrophobicContact CG2-CG1 3.94Å; I43-E102 CarbonylContact C-O 3.51Å; I43-E102 VanDerWaalsContact CA-O 3.25Å; I43-E102 WeakPolarHBondContact CA-O 3.2Å; I43-E102 WeakPolarHBondContact CG2-O 3.24Å; I43-D103 HydrophobicContact CD1-CB 4.48Å; I43-D103 HydrophobicContact CG1-CB 4.15Å
44F92.6Very high89.1Confident7 Ų759.8 Ų59.83%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-80.2120.8170.1-168.9-95.9000109.5Q22 V24 S47 V51 I53 E102 Y123 T125 R131Q22-F44 HydrophobicContact CB-CE1 4.49Å; Q22-F44 HydrophobicContact CB-CE2 4.45Å; Q22-F44 HydrophobicContact CB-CZ 3.81Å; Q22-F44 HydrophobicContact CG-CE1 4.34Å; Q22-F44 HydrophobicContact CG-CZ 3.99Å; V24-F44 HydrophobicContact CG2-CD2 4.35Å; F44-S47 WeakPolarHBondContact CD1-OG 3.41Å; F44-S47 WeakPolarHBondContact CE1-OG 3.05Å; F44-V51 HydrophobicContact CE1-CG2 3.74Å; F44-V51 HydrophobicContact CZ-CG2 3.81Å; F44-I53 HydrophobicContact CB-CD1 4.47Å; F44-E102 PolarHBondContact N-O 2.89Å; F44-Y123 HydrophobicContact CB-CD1 3.85Å; F44-Y123 HydrophobicContact CB-CD2 4.29Å; F44-Y123 HydrophobicContact CB-CE1 3.56Å; F44-Y123 HydrophobicContact CB-CE2 3.99Å; F44-Y123 HydrophobicContact CB-CG 4.21Å; F44-Y123 AromaticContact CD2-CD1 3.86Å; F44-Y123 HydrophobicContact CD2-CD1 3.86Å; F44-Y123 HydrophobicContact CD2-CD2 4.12Å; F44-Y123 HydrophobicContact CD2-CE1 4.45Å; F44-Y123 AromaticContact CD2-CG 3.68Å; F44-Y123 HydrophobicContact CD2-CG 3.68Å; F44-Y123 HydrophobicContact CG-CD1 4.1Å; F44-Y123 HydrophobicContact CG-CE1 4.31Å; F44-Y123 HydrophobicContact CG-CG 4.32Å; F44-Y123 PolarHBondContact N-OH 3.01Å; F44-T125 HydrophobicContact CE2-CG2 3.86Å; F44-T125 HydrophobicContact CZ-CG2 3.98Å; F44-R131 HydrophobicContact CE2-CB 4.4Å; F44-R131 HydrophobicContact CE2-CG 4.32Å
45V89.6Confident88.9Confident42 Ų4259.6 Ų59.626%0.25533%0.33SS..EExtended strand (participates in β ladder)trans-114.9148.4-178.2-61.90000111.5S23 Q25 I43S23-V45 PolarHBondContact N-O 2.9Å; S23-V45 WeakPolarHBondContact O-CG2 3.45Å; S23-V45 PolarHBondContact O-N 3.35Å; S23-V45 VanDerWaalsContact OG-CG2 3.29Å; S23-V45 WeakPolarHBondContact OG-CG2 3.13Å; Q25-V45 HydrophobicContact CB-CG1 4.05Å; Q25-V45 HydrophobicContact CB-CG2 4.37Å; I43-V45 HydrophobicContact CG2-CG1 3.94Å
46N79.1Confident89Confident62 Ų6257.4 Ų57.433%0.33231%0.306SS..  trans61.965.7170.9-179.540.4000114.4H20 G21 Q22 N48H20-N46 PolarHBondContact O-ND2 3.39Å; G21-N46 PolarHBondContact N-ND2 3.38Å; G21-N46 PolarHBondContact O-ND2 3.3Å; Q22-N46 WeakPolarHBondContact CG-O 3.42Å; N46-N48 PolarHBondContact O-N 3Å
47S69.3Low89Confident52 Ų5255 Ų5536%0.36429%0.292SS..  trans-7450.9174.2-46.90000113.2F44 P49 P50F44-S47 WeakPolarHBondContact CD1-OG 3.41Å; F44-S47 WeakPolarHBondContact CE1-OG 3.05Å; S47-P49 CarbonylContact C-O 3.59Å; S47-P49 VanDerWaalsContact C-O 3.26Å; S47-P49 CarbonylContact O-C 3.36Å; S47-P49 VanDerWaalsContact O-O 3.1Å; S47-P50 WeakPolarHBondContact O-CA 3.44Å; S47-P50 VanDerWaalsContact O-N 3.16Å
48N70.8Confident89.1Confident121 Ų12149 Ų4965%0.64726%0.264SS*.SBendtrans-118.2119174.9-167.913.4000110.5N46N46-N48 PolarHBondContact O-N 3Å
49P70.8Confident89.1Confident90 Ų9049.3 Ų49.358%0.58426%0.264SS*.SBendcis-62157.9-6.529-36.4000112.4Q22 S47 V51Q22-P49 PolarHBondContact NE2-O 2.97Å; S47-P49 CarbonylContact C-O 3.59Å; S47-P49 VanDerWaalsContact C-O 3.26Å; S47-P49 CarbonylContact O-C 3.36Å; S47-P49 VanDerWaalsContact O-O 3.1Å; P49-V51 PolarHBondContact O-N 3.07Å
50P80.2Confident89.1Confident112 Ų11246.7 Ų46.773%0.72725%0.252SS*.  trans-59.3125.7-179.423-33.3000111.3S47S47-P50 WeakPolarHBondContact O-CA 3.44Å; S47-P50 VanDerWaalsContact O-N 3.16Å
51V86.6Confident89Confident22 Ų2249.4 Ų49.413%0.13327%0.266CS..  trans-115.9147.6177.5-75.10000110.6F44 P49 T125 A128F44-V51 HydrophobicContact CE1-CG2 3.74Å; F44-V51 HydrophobicContact CZ-CG2 3.81Å; P49-V51 PolarHBondContact O-N 3.07Å; V51-T125 HydrophobicContact CG2-CG2 4.41Å; V51-A128 HydrophobicContact CG1-CB 3.66Å
52K87.5Confident88.5Confident155 Ų15546.4 Ų46.467%0.67426%0.261SS*.EExtended strand (participates in β ladder)trans-89.8123.6171.4-170.6172.8-178.3178.20109.1S54 T125 F126K52-S54 PolarHBondContact O-N 3.17Å; K52-T125 WeakPolarHBondContact O-CA 3.04Å; K52-F126 PolarHBondContact N-O 3.46Å; K52-F126 PolarHBondContact O-N 3.35Å
53I90.9Very high87.9Confident20 Ų2054.3 Ų54.310%0.10330%0.303CS..EExtended strand (participates in β ladder)trans-74.1119.8169.9-62.3162.5000107.4F44 V56 P74 M101 Y123 T125F44-I53 HydrophobicContact CB-CD1 4.47Å; I53-V56 HydrophobicContact CG2-CG2 3.7Å; I53-P74 WeakPolarHBondContact O-CG 3.41Å; I53-M101 HydrophobicContact CB-CB 4.48Å; I53-M101 HydrophobicContact CD1-CB 4.05Å; I53-M101 HydrophobicContact CG2-CB 4.16Å; I53-M101 HydrophobicContact CG2-SD 4.35Å; I53-Y123 HydrophobicContact CD1-CD1 3.98Å; I53-Y123 HydrophobicContact CD1-CE1 3.87Å; I53-Y123 HydrophobicContact CG1-CD1 4.08Å; I53-Y123 HydrophobicContact CG1-CE1 4.45Å; I53-Y123 HydrophobicContact CG2-CD1 3.89Å; I53-Y123 HydrophobicContact CG2-CE1 4.3Å; I53-T125 HydrophobicContact CG1-CG2 4.34Å
54S91.9Very high87.5Confident54 Ų5456.1 Ų56.138%0.37833%0.33SS..EExtended strand (participates in β ladder)trans-90.7-39-178.5-64.20000111.8K52 N73 P74 T124K52-S54 PolarHBondContact O-N 3.17Å; S54-N73 PolarHBondContact O-ND2 2.78Å; S54-P74 WeakPolarHBondContact O-CD 2.84Å; S54-T124 PolarHBondContact N-O 3.35Å
55Q93.6Very high87.4Confident63 Ų6360.2 Ų60.229%0.29436%0.355SS..EExtended strand (participates in β ladder)trans-164.9147.9178.9-179.9179.4-65.900109.3T57 T71 A72 T124Q55-T57 PolarHBondContact NE2-OG1 3.3Å; Q55-T71 HydrophobicContact CG-CG2 3.46Å; Q55-T71 VanDerWaalsContact CG-CG2 3.46Å; Q55-A72 CarbonylContact C-O 3.5Å; Q55-A72 WeakPolarHBondContact CA-O 3.29Å; Q55-T124 WeakPolarHBondContact CA-OG1 3.07Å; Q55-T124 WeakPolarHBondContact CB-OG1 3.39Å; Q55-T124 PolarHBondContact N-OG1 3.3Å; Q55-T124 PolarHBondContact O-N 2.85Å; Q55-T124 PolarHBondContact O-OG1 2.93Å
56V95.8Very high87.6Confident0 Ų063 Ų630%036%0.364CS..EExtended strand (participates in β ladder)trans-117.1131.7168.7-167.60000109.7I53 T71 A72 T104 E122 Y123I53-V56 HydrophobicContact CG2-CG2 3.7Å; V56-T71 CarbonylContact O-C 3.46Å; V56-T71 WeakPolarHBondContact O-CA 3.31Å; V56-A72 PolarHBondContact N-O 2.73Å; V56-A72 PolarHBondContact O-N 2.83Å; V56-T104 HydrophobicContact CB-CG2 3.97Å; V56-T104 HydrophobicContact CG1-CG2 3.99Å; V56-T104 WeakPolarHBondContact CG1-OG1 3.48Å; V56-T104 HydrophobicContact CG2-CG2 3.78Å; V56-E122 CarbonylContact C-O 3.51Å; V56-E122 VanDerWaalsContact CA-O 3.32Å; V56-E122 WeakPolarHBondContact CA-O 3.34Å; V56-E122 WeakPolarHBondContact CG1-O 3.42Å; V56-Y123 HydrophobicContact CB-CD1 4.46Å; V56-Y123 HydrophobicContact CB-CE1 4.41Å; V56-Y123 HydrophobicContact CG1-CD1 4.28Å; V56-Y123 HydrophobicContact CG1-CD2 4.06Å; V56-Y123 HydrophobicContact CG1-CE1 4.18Å; V56-Y123 HydrophobicContact CG1-CE2 4Å; V56-Y123 HydrophobicContact CG1-CG 4.22Å; V56-Y123 HydrophobicContact CG2-CD1 3.42Å; V56-Y123 VanDerWaalsContact CG2-CD1 3.42Å; V56-Y123 HydrophobicContact CG2-CE1 3.34Å; V56-Y123 HydrophobicContact CG2-CG 4.1Å
57T96.5Very high88.4Confident6 Ų663.7 Ų63.74%0.03737%0.365CS..EExtended strand (participates in β ladder)trans-123.9120.6-175.8-45.40000110Q55 Q59 E122Q55-T57 PolarHBondContact NE2-OG1 3.3Å; T57-Q59 HydrophobicContact CG2-CG 3.92Å; T57-E122 PolarHBondContact N-O 2.65Å; T57-E122 PolarHBondContact O-N 3.33Å
58W97.8Very high89.6Confident0 Ų064.4 Ų64.40%037%0.365CS..EExtended strand (participates in β ladder)trans-90.3130.9166.6-82.393.4000110.1M26 L40 C42 V69 A70 F90 T104 I106 I120 C121 V135M26-W58 HydrophobicContact CE-CH2 3.34Å; M26-W58 HydrophobicContact CE-CZ2 4.3Å; M26-W58 HydrophobicContact CE-CZ3 3.52Å; L40-W58 HydrophobicContact CB-CH2 3.5Å; L40-W58 HydrophobicContact CB-CZ2 4.34Å; L40-W58 HydrophobicContact CB-CZ3 3.95Å; L40-W58 HydrophobicContact CD1-CH2 4.47Å; L40-W58 HydrophobicContact CD1-CZ3 4.07Å; L40-W58 WeakPolarHBondContact O-CH2 3.39Å; L40-W58 WeakPolarHBondContact O-CZ2 3.02Å; C42-W58 HydrophobicContact CB-CH2 3.87Å; C42-W58 HydrophobicContact CB-CZ2 3.27Å; W58-V69 HydrophobicContact CB-CB 4.22Å; W58-V69 PolarHBondContact O-N 2.97Å; W58-A70 HydrophobicContact CB-CB 4.42Å; W58-A70 PolarHBondContact N-O 2.81Å; W58-A70 PolarHBondContact O-N 3.34Å; W58-F90 AromaticContact CD1-CE1 3.85Å; W58-T104 PolarHBondContact NE1-O 2.7Å; W58-I106 HydrophobicContact CB-CD1 4.41Å; W58-I106 HydrophobicContact CD2-CD1 3.57Å; W58-I106 HydrophobicContact CD2-CG1 3.95Å; W58-I106 HydrophobicContact CD2-CG2 4.36Å; W58-I106 HydrophobicContact CE3-CD1 3.69Å; W58-I106 HydrophobicContact CE3-CG1 4.24Å; W58-I106 HydrophobicContact CG-CD1 3.93Å; W58-I106 HydrophobicContact CG-CG1 4.49Å; W58-I106 HydrophobicContact CG-CG2 4.16Å; W58-I106 HydrophobicContact CH2-CD1 4.32Å; W58-I106 HydrophobicContact CH2-CG1 4Å; W58-I106 HydrophobicContact CZ2-CD1 4.24Å; W58-I106 HydrophobicContact CZ2-CG1 3.71Å; W58-I106 HydrophobicContact CZ2-CG2 4.5Å; W58-I106 HydrophobicContact CZ3-CD1 4.08Å; W58-I106 HydrophobicContact CZ3-CG1 4.27Å; W58-I120 WeakPolarHBondContact CA-O 3.28Å; W58-C121 HydrophobicContact CD2-CB 4Å; W58-C121 HydrophobicContact CE3-CB 4.02Å; W58-C121 HydrophobicContact CH2-CB 4.09Å; W58-C121 HydrophobicContact CZ2-CB 4.04Å; W58-C121 HydrophobicContact CZ3-CB 4.06Å; W58-V135 HydrophobicContact CZ3-CG1 4.4Å
59Q97Very high90.9Very high22 Ų2258.7 Ų58.710%0.10333%0.334CS..EExtended strand (participates in β ladder)trans-129.8142.7-179.6-49.2-174.5-59.500110.1T57 K66 Q67 N68 Y119 I120T57-Q59 HydrophobicContact CG2-CG 3.92Å; Q59-K66 VanDerWaalsContact OE1-NZ 3.11Å; Q59-Q67 CarbonylContact C-O 3.55Å; Q59-Q67 VanDerWaalsContact CA-O 3.29Å; Q59-Q67 WeakPolarHBondContact CA-O 3.33Å; Q59-N68 PolarHBondContact NE2-OD1 2.99Å; Q59-Y119 CarbonylContact O-C 3.58Å; Q59-Y119 WeakPolarHBondContact O-CA 3.22Å; Q59-I120 HydrophobicContact CB-CB 4.37Å; Q59-I120 PolarHBondContact N-O 3.22Å; Q59-I120 PolarHBondContact O-N 3.11Å
60K96.3Very high92.1Very high17 Ų1754.4 Ų54.47%0.07431%0.307CS..EExtended strand (participates in β ladder)trans-99.6124.1171-176.3-177.4-177.2-173.50108.5Q67 V69 F84 S114 A117 Y119K60-Q67 PolarHBondContact N-O 3.22Å; K60-Q67 PolarHBondContact O-N 3.47Å; K60-V69 HydrophobicContact CB-CG2 3.67Å; K60-F84 HydrophobicContact CD-CZ 3.92Å; K60-S114 PolarHBondContact NZ-O 3.5Å; K60-A117 HydrophobicContact CD-CB 4.08Å; K60-A117 HydrophobicContact CG-CB 3.58Å; K60-Y119 HydrophobicContact CB-CD1 4.16Å; K60-Y119 HydrophobicContact CB-CE1 3.82Å; K60-Y119 HydrophobicContact CD-CE1 4.25Å; K60-Y119 HydrophobicContact CG-CD1 4.47Å; K60-Y119 HydrophobicContact CG-CE1 3.94Å; K60-Y119 HydrophobicContact CG-CE2 4.31Å
61L94.9Very high92.8Very high57 Ų5750.2 Ų50.230%0.29828%0.279SS..EExtended strand (participates in β ladder)trans-92108.4173-177.265.2000108.9T65 K66 A118 I120 M134L61-T65 WeakPolarHBondContact CA-O 3.16Å; L61-K66 HydrophobicContact CD1-CG 4.19Å; L61-A118 HydrophobicContact CB-CB 4.35Å; L61-A118 PolarHBondContact N-O 3.32Å; L61-I120 HydrophobicContact CB-CD1 4.26Å; L61-M134 HydrophobicContact CD2-SD 4.23Å
62S87.1Confident93.2Very high41 Ų4149.2 Ų49.229%0.28727%0.273SS..EExtended strand (participates in β ladder)trans-129.1121-178.1-172.70000109.6G64 T65S62-G64 PolarHBondContact O-N 3.49Å; S62-T65 PolarHBondContact N-O 3.22Å; S62-T65 PolarHBondContact O-N 3.42Å; S62-T65 PolarHBondContact O-OG1 3.07Å
63N83.3Confident93.4Very high166 Ų16643 Ų4389%0.88825%0.247SC*.THydrogen-bonded Turntrans48.841.3-178.7-60.7-12.2000113.6T65N63-T65 VanDerWaalsContact C-N 3.26Å; N63-T65 PolarHBondContact O-N 2.74Å
64G85.7Confident93.2Very high70 Ų7043.2 Ų43.272%0.72225%0.25SC*.THydrogen-bonded Turntrans79.7-6.3-178.400000115.7S62S62-G64 PolarHBondContact O-N 3.49Å
65T91.4Very high93Very high92 Ų9246.4 Ų46.456%0.56427%0.268SS*.EExtended strand (participates in β ladder)trans-96.3135.3176.864.70000111.5L61 S62 N63L61-T65 WeakPolarHBondContact CA-O 3.16Å; S62-T65 PolarHBondContact N-O 3.22Å; S62-T65 PolarHBondContact O-N 3.42Å; S62-T65 PolarHBondContact O-OG1 3.07Å; N63-T65 VanDerWaalsContact C-N 3.26Å; N63-T65 PolarHBondContact O-N 2.74Å
66K94.1Very high92.8Very high100 Ų10050.5 Ų50.544%0.43529%0.291SS..EExtended strand (participates in β ladder)trans-88.3114.2171.7-73.9-176.3163.6-148.20109.2Q59 L61 I120 E132Q59-K66 VanDerWaalsContact OE1-NZ 3.11Å; L61-K66 HydrophobicContact CD1-CG 4.19Å; K66-I120 HydrophobicContact CD-CD1 4.41Å; K66-I120 VanDerWaalsContact CE-CD1 3.47Å; K66-I120 HydrophobicContact CG-CD1 4.42Å; K66-E132 IonicContact NZ-OE1 3.64Å; K66-E132 IonicContact NZ-OE2 3.6Å; K66-E132 PolarHBondContact NZ-OE2 3.37Å
67Q94.9Very high92.4Very high77 Ų7752.1 Ų52.136%0.3631%0.307SS..EExtended strand (participates in β ladder)trans-102.8125.3171.8-177.9-175.118.700109.6Q59 K60 V69Q59-Q67 CarbonylContact C-O 3.55Å; Q59-Q67 VanDerWaalsContact CA-O 3.29Å; Q59-Q67 WeakPolarHBondContact CA-O 3.33Å; K60-Q67 PolarHBondContact N-O 3.22Å; K60-Q67 PolarHBondContact O-N 3.47Å; Q67-V69 PolarHBondContact O-N 2.91Å
68N95.6Very high92.2Very high68 Ų6854.9 Ų54.936%0.36432%0.324SS..EExtended strand (participates in β ladder)trans-66.3135174.1-69-16.2000110.5Q59 L81Q59-N68 PolarHBondContact NE2-OD1 2.99Å; N68-L81 HydrophobicContact CB-CD1 3.56Å
69V96.4Very high92Very high0 Ų057.9 Ų57.90%034%0.344CS..EExtended strand (participates in β ladder)trans-106.9-56-176.9175.20000110W58 K60 Q67 L81 F84 V88 Y119W58-V69 HydrophobicContact CB-CB 4.22Å; W58-V69 PolarHBondContact O-N 2.97Å; K60-V69 HydrophobicContact CB-CG2 3.67Å; Q67-V69 PolarHBondContact O-N 2.91Å; V69-L81 PolarHBondContact O-N 2.91Å; V69-F84 HydrophobicContact CB-CD2 4.21Å; V69-F84 HydrophobicContact CB-CE2 4.42Å; V69-F84 HydrophobicContact CG1-CB 4.18Å; V69-F84 HydrophobicContact CG1-CD1 4.3Å; V69-F84 HydrophobicContact CG1-CD2 3.84Å; V69-F84 HydrophobicContact CG1-CE2 4.32Å; V69-F84 HydrophobicContact CG1-CG 3.83Å; V69-F84 HydrophobicContact CG2-CD2 4.19Å; V69-F84 HydrophobicContact CG2-CE2 3.89Å; V69-F84 HydrophobicContact CG2-CZ 4.29Å; V69-V88 HydrophobicContact CG1-CG1 4.46Å; V69-Y119 HydrophobicContact CG2-CD1 4.27Å; V69-Y119 HydrophobicContact CG2-CE1 3.97Å
70A96.3Very high91.9Very high0 Ų058.7 Ų58.70%035%0.349CS..EExtended strand (participates in β ladder)trans-151.2151.1-178.900000110.5W58 S79 I80 F90W58-A70 HydrophobicContact CB-CB 4.42Å; W58-A70 PolarHBondContact N-O 2.81Å; W58-A70 PolarHBondContact O-N 3.34Å; A70-S79 CarbonylContact C-O 3.59Å; A70-S79 VanDerWaalsContact CA-O 3.29Å; A70-S79 WeakPolarHBondContact CA-O 3.44Å; A70-I80 HydrophobicContact CB-CB 4.48Å; A70-I80 HydrophobicContact CB-CG1 3.99Å; A70-I80 HydrophobicContact CB-CG2 4.44Å; A70-F90 HydrophobicContact CB-CE2 3.78Å; A70-F90 HydrophobicContact CB-CZ 3.86Å
71T95.6Very high91.8Very high25 Ų2561.2 Ų61.215%0.15336%0.363CS..EExtended strand (participates in β ladder)trans-134.6132.7179.9-570000109Q55 V56 V78 S79Q55-T71 HydrophobicContact CG-CG2 3.46Å; Q55-T71 VanDerWaalsContact CG-CG2 3.46Å; V56-T71 CarbonylContact O-C 3.46Å; V56-T71 WeakPolarHBondContact O-CA 3.31Å; T71-V78 WeakPolarHBondContact O-CA 3.37Å; T71-S79 PolarHBondContact N-O 3.05Å; T71-S79 PolarHBondContact O-N 2.93Å
72A94.3Very high91.7Very high0 Ų062.9 Ų62.90%038%0.379CS..EExtended strand (participates in β ladder)trans-115.1126.5170.400000109Q55 V56 V78 F90 L96 M101Q55-A72 CarbonylContact C-O 3.5Å; Q55-A72 WeakPolarHBondContact CA-O 3.29Å; V56-A72 PolarHBondContact N-O 2.73Å; V56-A72 PolarHBondContact O-N 2.83Å; A72-V78 HydrophobicContact CB-CG2 4.35Å; A72-F90 HydrophobicContact CB-CE1 4.12Å; A72-F90 HydrophobicContact CB-CE2 4.36Å; A72-F90 HydrophobicContact CB-CZ 3.89Å; A72-L96 HydrophobicContact CB-CD1 4.09Å; A72-M101 HydrophobicContact CB-CE 4.05Å
73N92.3Very high91.9Very high24 Ų2464.9 Ų64.913%0.12839%0.391CS..EExtended strand (participates in β ladder)trans-129.2134.5179.6179.3-66.5000109S54 T75 L76 G77 M101S54-N73 PolarHBondContact O-ND2 2.78Å; N73-T75 VanDerWaalsContact C-N 3.27Å; N73-T75 PolarHBondContact O-N 3.4Å; N73-T75 PolarHBondContact OD1-N 3.5Å; N73-T75 PolarHBondContact OD1-OG1 2.8Å; N73-T75 VanDerWaalsContact OD1-OG1 3.08Å; N73-L76 HydrophobicContact CB-CB 4.06Å; N73-L76 PolarHBondContact OD1-N 2.89Å; N73-G77 PolarHBondContact N-O 3.16Å; N73-G77 WeakPolarHBondContact O-CA 3.46Å; N73-G77 PolarHBondContact O-N 2.59Å; N73-M101 VanDerWaalsContact C-CE 3.47Å
74P87.5Confident92.4Very high25 Ų2557 Ų5716%0.16235%0.349CS..THydrogen-bonded Turntrans-57.9-34.9-175.8-23.931.9000114.3I53 S54 H99 M101I53-P74 WeakPolarHBondContact O-CG 3.41Å; S54-P74 WeakPolarHBondContact O-CD 2.84Å; P74-H99 PolarHBondContact O-CE1 3.38Å; P74-H99 PolarHBondContact O-ND1 2.59Å; P74-M101 HydrophobicContact CB-CE 4.5Å; P74-M101 HydrophobicContact CG-CE 4.22Å; P74-M101 HydrophobicContact CG-SD 3.71Å
75T87Confident92.7Very high122 Ų12260.6 Ų60.675%0.74835%0.345SS*.THydrogen-bonded Turntrans-101.5-33.6-175.956.60000113.3N73N73-T75 VanDerWaalsContact C-N 3.27Å; N73-T75 PolarHBondContact O-N 3.4Å; N73-T75 PolarHBondContact OD1-N 3.5Å; N73-T75 PolarHBondContact OD1-OG1 2.8Å; N73-T75 VanDerWaalsContact OD1-OG1 3.08Å
76L88.3Confident92.7Very high149 Ų14965 Ų6578%0.7836%0.36SS*.THydrogen-bonded Turntrans-91-7.6-179.8-56.2177.2000113.5N73N73-L76 HydrophobicContact CB-CB 4.06Å; N73-L76 PolarHBondContact OD1-N 2.89Å
77G88.3Confident92.7Very high33 Ų3361.6 Ų61.634%0.3434%0.344SS..EExtended strand (participates in β ladder)trans77.9-145.5179.500000113.5N73N73-G77 PolarHBondContact N-O 3.16Å; N73-G77 WeakPolarHBondContact O-CA 3.46Å; N73-G77 PolarHBondContact O-N 2.59Å
78V91.9Very high92.8Very high65 Ų6558.2 Ų58.239%0.39433%0.329SS..EExtended strand (participates in β ladder)trans-107.1133-174164.40000110.6T71 A72 I80 F90 L96T71-V78 WeakPolarHBondContact O-CA 3.37Å; A72-V78 HydrophobicContact CB-CG2 4.35Å; V78-I80 HydrophobicContact CG1-CD1 4.11Å; V78-I80 HydrophobicContact CG1-CG1 4.16Å; V78-F90 HydrophobicContact CB-CD2 4.44Å; V78-F90 HydrophobicContact CG1-CD2 3.58Å; V78-F90 HydrophobicContact CG1-CE2 3.7Å; V78-F90 HydrophobicContact CG2-CD2 3.95Å; V78-F90 HydrophobicContact CG2-CE2 4.21Å; V78-L96 HydrophobicContact CG2-CD1 3.88Å
79S93.2Very high92.7Very high62 Ų6256.2 Ų56.243%0.43432%0.324SS..EExtended strand (participates in β ladder)trans-125.7134.9171-176.10000110A70 T71A70-S79 CarbonylContact C-O 3.59Å; A70-S79 VanDerWaalsContact CA-O 3.29Å; A70-S79 WeakPolarHBondContact CA-O 3.44Å; T71-S79 PolarHBondContact N-O 3.05Å; T71-S79 PolarHBondContact O-N 2.93Å
80I95.1Very high92.7Very high39 Ų3957 Ų5720%0.233%0.327CS..EExtended strand (participates in β ladder)trans-127.3126.4176.4-57.4144.8000107.3A70 V78 F84 V88A70-I80 HydrophobicContact CB-CB 4.48Å; A70-I80 HydrophobicContact CB-CG1 3.99Å; A70-I80 HydrophobicContact CB-CG2 4.44Å; V78-I80 HydrophobicContact CG1-CD1 4.11Å; V78-I80 HydrophobicContact CG1-CG1 4.16Å; I80-F84 HydrophobicContact CG2-CB 3.97Å; I80-V88 VanDerWaalsContact CD1-O 3.32Å; I80-V88 WeakPolarHBondContact CD1-O 3.44Å; I80-V88 HydrophobicContact CG2-CB 4.42Å
81L94.6Very high92.5Very high70 Ų7062.2 Ų62.237%0.36635%0.35SS..  trans-91.1153.3-172.1-59.2-179.5000111.6N68 V69 F84 K85N68-L81 HydrophobicContact CB-CD1 3.56Å; V69-L81 PolarHBondContact O-N 2.91Å; L81-F84 WeakPolarHBondContact O-CA 3.29Å; L81-F84 WeakPolarHBondContact O-CB 3.37Å; L81-F84 PolarHBondContact O-N 3.16Å; L81-K85 PolarHBondContact O-N 3.24Å
82S92.1Very high92.2Very high92 Ų9265.1 Ų65.164%0.64336%0.362SS*.THydrogen-bonded Turntrans-64.7140.6171.6-61.50000110.6
83P92.6Very high91.6Very high83 Ų8367.2 Ų67.254%0.53938%0.379SS..THydrogen-bonded Turncis-92.520.47.938.2-38.5000115
84F94.2Very high91.1Very high1 Ų168.4 Ų68.40%0.00439%0.393CS..THydrogen-bonded Turntrans-94.6-15.4-173-55.4-73.9000114.4K60 V69 I80 L81 E86 R87 V88 F108K60-F84 HydrophobicContact CD-CZ 3.92Å; V69-F84 HydrophobicContact CB-CD2 4.21Å; V69-F84 HydrophobicContact CB-CE2 4.42Å; V69-F84 HydrophobicContact CG1-CB 4.18Å; V69-F84 HydrophobicContact CG1-CD1 4.3Å; V69-F84 HydrophobicContact CG1-CD2 3.84Å; V69-F84 HydrophobicContact CG1-CE2 4.32Å; V69-F84 HydrophobicContact CG1-CG 3.83Å; V69-F84 HydrophobicContact CG2-CD2 4.19Å; V69-F84 HydrophobicContact CG2-CE2 3.89Å; V69-F84 HydrophobicContact CG2-CZ 4.29Å; I80-F84 HydrophobicContact CG2-CB 3.97Å; L81-F84 WeakPolarHBondContact O-CA 3.29Å; L81-F84 WeakPolarHBondContact O-CB 3.37Å; L81-F84 PolarHBondContact O-N 3.16Å; F84-E86 PolarHBondContact O-N 3.14Å; F84-R87 PolarHBondContact O-N 3.2Å; F84-V88 HydrophobicContact CB-CB 4.07Å; F84-V88 HydrophobicContact CB-CG2 3.8Å; F84-V88 HydrophobicContact CD1-CG2 3.94Å; F84-V88 HydrophobicContact CG-CG2 4.27Å; F84-V88 PolarHBondContact O-N 2.76Å; F84-F108 HydrophobicContact CD1-CE1 4.21Å; F84-F108 HydrophobicContact CE1-CE1 4.34Å
85K91.4Very high90.8Very high145 Ų14568 Ų6863%0.6339%0.391SS*.THydrogen-bonded Turntrans-45.1-36.6-171.2-168.7179.7179.3-174.10116.4L81L81-K85 PolarHBondContact O-N 3.24Å
86E91Very high90.5Very high186 Ų18662.4 Ų62.487%0.86936%0.356SS*.THydrogen-bonded Turntrans-102-9.5-177.9-64.3176.2-178.700113.7F84F84-E86 PolarHBondContact O-N 3.14Å
87R94.6Very high89.9Confident28 Ų2862.5 Ų62.511%0.10635%0.353CS..THydrogen-bonded Turntrans-117.4-14.3-171-56.8-169.3-56.5113.8-1.7114.1F84 F108 S109 N110 D115F84-R87 PolarHBondContact O-N 3.2Å; R87-F108 CarbonylContact O-C 3.41Å; R87-F108 VanDerWaalsContact O-CA 3.32Å; R87-F108 WeakPolarHBondContact O-CA 3.48Å; R87-S109 PolarHBondContact O-N 3.03Å; R87-N110 PolarHBondContact NH1-O 2.88Å; R87-D115 IonicContact CZ-OD1 2.79Å; R87-D115 IonicContact CZ-OD2 3.43Å; R87-D115 IonicContact NH1-OD1 2.81Å; R87-D115 IonicContact NH1-OD2 3.66Å; R87-D115 PolarHBondContact NH1-OD2 2.86Å; R87-D115 IonicContact NH2-OD1 3.58Å; R87-D115 PolarHBondContact NH2-OD1 3.04Å; R87-D115 IonicContact NH2-OD2 2.69Å; R87-D115 PolarHBondContact NH2-OD2 2.99Å
88V95.8Very high89.5Confident6 Ų668.9 Ų68.94%0.03637%0.367CS..EExtended strand (participates in β ladder)trans-123.4133-179.3179.40000109.4V69 I80 F84 I106 V107 F108V69-V88 HydrophobicContact CG1-CG1 4.46Å; I80-V88 VanDerWaalsContact CD1-O 3.32Å; I80-V88 WeakPolarHBondContact CD1-O 3.44Å; I80-V88 HydrophobicContact CG2-CB 4.42Å; F84-V88 HydrophobicContact CB-CB 4.07Å; F84-V88 HydrophobicContact CB-CG2 3.8Å; F84-V88 HydrophobicContact CD1-CG2 3.94Å; F84-V88 HydrophobicContact CG-CG2 4.27Å; F84-V88 PolarHBondContact O-N 2.76Å; V88-I106 HydrophobicContact CG1-CB 4.03Å; V88-I106 HydrophobicContact CG1-CD1 4.04Å; V88-I106 HydrophobicContact CG1-CG2 4.41Å; V88-V107 VanDerWaalsContact CA-O 3.29Å; V88-V107 WeakPolarHBondContact CA-O 2.98Å; V88-F108 HydrophobicContact CG2-CD1 3.66Å; V88-F108 HydrophobicContact CG2-CD2 4.35Å; V88-F108 HydrophobicContact CG2-CE1 3.53Å; V88-F108 HydrophobicContact CG2-CE2 4.22Å; V88-F108 HydrophobicContact CG2-CG 4.06Å; V88-F108 HydrophobicContact CG2-CZ 3.82Å
89G94.9Very high88.9Confident26 Ų2671.6 Ų71.627%0.26838%0.375SS..EExtended strand (participates in β ladder)trans-140.8158.7173.200000111.9I106 V107G89-I106 CarbonylContact O-C 3.49Å; G89-I106 WeakPolarHBondContact O-CA 3.42Å; G89-V107 PolarHBondContact N-O 2.71Å; G89-V107 PolarHBondContact O-N 2.76Å
90F95.1Very high88.4Confident15 Ų1573.8 Ų73.87%0.06638%0.378CS..EExtended strand (participates in β ladder)trans-78.9129.3172.2-72.6-88.9000110.3W58 A70 A72 V78 Q92 A93 L96 I106W58-F90 AromaticContact CD1-CE1 3.85Å; A70-F90 HydrophobicContact CB-CE2 3.78Å; A70-F90 HydrophobicContact CB-CZ 3.86Å; A72-F90 HydrophobicContact CB-CE1 4.12Å; A72-F90 HydrophobicContact CB-CE2 4.36Å; A72-F90 HydrophobicContact CB-CZ 3.89Å; V78-F90 HydrophobicContact CB-CD2 4.44Å; V78-F90 HydrophobicContact CG1-CD2 3.58Å; V78-F90 HydrophobicContact CG1-CE2 3.7Å; V78-F90 HydrophobicContact CG2-CD2 3.95Å; V78-F90 HydrophobicContact CG2-CE2 4.21Å; F90-Q92 PolarHBondContact O-N 2.71Å; F90-A93 PolarHBondContact O-N 2.86Å; F90-L96 HydrophobicContact CB-CD1 3.59Å; F90-L96 HydrophobicContact CD1-CD1 3.68Å; F90-L96 HydrophobicContact CD2-CD1 4.16Å; F90-L96 HydrophobicContact CE1-CD1 4.38Å; F90-L96 HydrophobicContact CG-CD1 3.53Å; F90-I106 HydrophobicContact CD1-CG2 3.72Å; F90-I106 HydrophobicContact CE1-CG2 3.69Å; F90-I106 HydrophobicContact CG-CG2 4.2Å; F90-I106 HydrophobicContact CZ-CG2 4.15Å
91K93.1Very high87.9Confident110 Ų11072 Ų7248%0.47837%0.369SS..THydrogen-bonded Turntrans-56-40.1-178.7-175.2169.8-178.8161.30112.5E39 T105 V107E39-K91 WeakPolarHBondContact OE1-CD 3.42Å; E39-K91 VanDerWaalsContact OE1-CE 3.28Å; E39-K91 WeakPolarHBondContact OE1-CE 3.46Å; E39-K91 IonicContact OE1-NZ 2.79Å; E39-K91 PolarHBondContact OE1-NZ 2.91Å; E39-K91 IonicContact OE2-NZ 3.11Å; E39-K91 PolarHBondContact OE2-NZ 3.31Å; K91-T105 HydrophobicContact CB-CG2 4.15Å; K91-T105 WeakPolarHBondContact CB-O 3.33Å; K91-T105 HydrophobicContact CD-CG2 4.01Å; K91-T105 PolarHBondContact N-O 2.97Å; K91-V107 HydrophobicContact CB-CG2 3.79Å; K91-V107 HydrophobicContact CG-CG2 4.29Å
92Q88.8Confident87.6Confident86 Ų8673.5 Ų73.540%0.40237%0.374SS..THydrogen-bonded Turntrans-111.343.2-177.2-53.7-155.446.100112.4F90 A94 A95 L96 D103F90-Q92 PolarHBondContact O-N 2.71Å; Q92-A94 PolarHBondContact O-N 3.37Å; Q92-A95 HydrophobicContact CB-CB 3.93Å; Q92-A95 WeakPolarHBondContact O-CA 3.25Å; Q92-A95 WeakPolarHBondContact O-CB 3.48Å; Q92-A95 PolarHBondContact O-N 2.76Å; Q92-L96 PolarHBondContact O-N 3.25Å; Q92-D103 PolarHBondContact NE2-OD2 2.83Å
93A82.9Confident87.7Confident44 Ų4470.7 Ų70.736%0.36435%0.352SS..Hα-helixtrans-50.2-36-177.100000114.4F90 L96 Q97F90-A93 PolarHBondContact O-N 2.86Å; A93-L96 PolarHBondContact O-N 2.79Å; A93-Q97 WeakPolarHBondContact O-CG 3.4Å; A93-Q97 PolarHBondContact O-N 2.9Å
94A81.1Confident87.7Confident50 Ų5066.8 Ų66.841%0.41333%0.327SS..Hα-helixtrans-74.6-19176.900000114.5Q92 R98Q92-A94 PolarHBondContact O-N 3.37Å; A94-R98 PolarHBondContact O-NH1 2.93Å
95A80.6Confident87.8Confident15 Ų1567 Ų6712%0.12433%0.328CS..Hα-helixtrans-79.4-41.1170.800000110.5Q92 Q97 R98 H99 Q100Q92-A95 HydrophobicContact CB-CB 3.93Å; Q92-A95 WeakPolarHBondContact O-CA 3.25Å; Q92-A95 WeakPolarHBondContact O-CB 3.48Å; Q92-A95 PolarHBondContact O-N 2.76Å; A95-Q97 VanDerWaalsContact C-N 3.27Å; A95-Q97 PolarHBondContact O-N 2.81Å; A95-R98 CarbonylContact O-C 3.53Å; A95-R98 WeakPolarHBondContact O-CA 3.32Å; A95-R98 WeakPolarHBondContact O-CB 3.46Å; A95-R98 PolarHBondContact O-N 3.19Å; A95-H99 PolarHBondContact O-N 2.85Å; A95-Q100 CarbonylContact C-O 3.46Å; A95-Q100 HydrophobicContact CB-CB 4.2Å; A95-Q100 PolarHBondContact O-N 2.89Å; A95-Q100 VanDerWaalsContact O-N 3.08Å
96L80.9Confident88.1Confident5 Ų560.1 Ų60.13%0.02630%0.298CS..Hα-helixtrans-58.5-38.6174.8-56.7178.1000112.1A72 V78 F90 Q92 A93 R98 H99 Q100 M101 T104A72-L96 HydrophobicContact CB-CD1 4.09Å; V78-L96 HydrophobicContact CG2-CD1 3.88Å; F90-L96 HydrophobicContact CB-CD1 3.59Å; F90-L96 HydrophobicContact CD1-CD1 3.68Å; F90-L96 HydrophobicContact CD2-CD1 4.16Å; F90-L96 HydrophobicContact CE1-CD1 4.38Å; F90-L96 HydrophobicContact CG-CD1 3.53Å; Q92-L96 PolarHBondContact O-N 3.25Å; A93-L96 PolarHBondContact O-N 2.79Å; L96-R98 PolarHBondContact O-N 3.29Å; L96-H99 PolarHBondContact O-N 2.93Å; L96-H99 VanDerWaalsContact O-N 3.1Å; L96-Q100 PolarHBondContact N-O 2.91Å; L96-M101 HydrophobicContact CB-CE 4.2Å; L96-M101 HydrophobicContact CD2-CB 4.42Å; L96-M101 HydrophobicContact CD2-CE 4.26Å; L96-M101 HydrophobicContact CD2-CG 4.01Å; L96-T104 HydrophobicContact CD2-CG2 3.89Å
97Q75.4Confident88.4Confident152 Ų15252 Ų5271%0.7126%0.262SS*.THydrogen-bonded Turntrans-64.2-22.8172.5-73.7175-10.600113.9A93 A95 H99A93-Q97 WeakPolarHBondContact O-CG 3.4Å; A93-Q97 PolarHBondContact O-N 2.9Å; A95-Q97 VanDerWaalsContact C-N 3.27Å; A95-Q97 PolarHBondContact O-N 2.81Å; Q97-H99 VanDerWaalsContact C-N 3.32Å
98R79.8Confident88.5Confident166 Ų16650.7 Ų50.763%0.62626%0.257SS*.THydrogen-bonded Turntrans-9617.8174.2-64.3-179.6178.891.7-8.4112.4A94 A95 L96 Q100A94-R98 PolarHBondContact O-NH1 2.93Å; A95-R98 CarbonylContact O-C 3.53Å; A95-R98 WeakPolarHBondContact O-CA 3.32Å; A95-R98 WeakPolarHBondContact O-CB 3.46Å; A95-R98 PolarHBondContact O-N 3.19Å; L96-R98 PolarHBondContact O-N 3.29Å; R98-Q100 PolarHBondContact O-N 3.13Å; R98-Q100 VanDerWaalsContact O-N 3.16Å
99H79.3Confident88.5Confident123 Ų12353.9 Ų53.957%0.56928%0.279SS*.THydrogen-bonded Turntrans60.414.3-176.7-43.1-56.9000115.5P74 A95 L96 Q97 M101P74-H99 PolarHBondContact O-CE1 3.38Å; P74-H99 PolarHBondContact O-ND1 2.59Å; A95-H99 PolarHBondContact O-N 2.85Å; L96-H99 PolarHBondContact O-N 2.93Å; L96-H99 VanDerWaalsContact O-N 3.1Å; Q97-H99 VanDerWaalsContact C-N 3.32Å; H99-M101 PolarHBondContact O-N 2.8Å
100Q83.6Confident88.5Confident107 Ų10756.2 Ų56.250%0.529%0.285SS..  trans-85.6105.9172-66.7169.627.100107.6A95 L96 R98 E102A95-Q100 CarbonylContact C-O 3.46Å; A95-Q100 HydrophobicContact CB-CB 4.2Å; A95-Q100 PolarHBondContact O-N 2.89Å; A95-Q100 VanDerWaalsContact O-N 3.08Å; L96-Q100 PolarHBondContact N-O 2.91Å; R98-Q100 PolarHBondContact O-N 3.13Å; R98-Q100 VanDerWaalsContact O-N 3.16Å; Q100-E102 VanDerWaalsContact C-OE2 3.31Å; Q100-E102 WeakPolarHBondContact CA-OE2 3.49Å
101M85.1Confident88.5Confident3 Ų355.5 Ų55.52%0.01528%0.282CS..  trans-118.611.1-171.5-64.5-154.2152.600113.5I53 A72 N73 P74 L96 H99 D103 Y123I53-M101 HydrophobicContact CB-CB 4.48Å; I53-M101 HydrophobicContact CD1-CB 4.05Å; I53-M101 HydrophobicContact CG2-CB 4.16Å; I53-M101 HydrophobicContact CG2-SD 4.35Å; A72-M101 HydrophobicContact CB-CE 4.05Å; N73-M101 VanDerWaalsContact C-CE 3.47Å; P74-M101 HydrophobicContact CB-CE 4.5Å; P74-M101 HydrophobicContact CG-CE 4.22Å; P74-M101 HydrophobicContact CG-SD 3.71Å; L96-M101 HydrophobicContact CB-CE 4.2Å; L96-M101 HydrophobicContact CD2-CB 4.42Å; L96-M101 HydrophobicContact CD2-CE 4.26Å; L96-M101 HydrophobicContact CD2-CG 4.01Å; H99-M101 PolarHBondContact O-N 2.8Å; M101-D103 VanDerWaalsContact C-N 3.29Å; M101-D103 PolarHBondContact O-N 3.48Å; M101-Y123 VanDerWaalsContact O-CE1 3.25Å; M101-Y123 WeakPolarHBondContact O-CE1 3.4Å; M101-Y123 PolarHBondContact O-OH 2.86Å; M101-Y123 VanDerWaalsContact O-OH 3.09Å
102E88.3Confident88.6Confident101 Ų10153.8 Ų53.847%0.47228%0.276SS..SBendtrans-62.1-36.2-180-63.775.8-169.400111.7I43 F44 Q100 Y123I43-E102 CarbonylContact C-O 3.51Å; I43-E102 VanDerWaalsContact CA-O 3.25Å; I43-E102 WeakPolarHBondContact CA-O 3.2Å; I43-E102 WeakPolarHBondContact CG2-O 3.24Å; F44-E102 PolarHBondContact N-O 2.89Å; Q100-E102 VanDerWaalsContact C-OE2 3.31Å; Q100-E102 WeakPolarHBondContact CA-OE2 3.49Å; E102-Y123 PolarHBondContact O-OH 3.35Å; E102-Y123 VanDerWaalsContact O-OH 3.14Å
103D92.3Very high88.9Confident33 Ų3351.7 Ų51.718%0.17627%0.267CS..BIsolated β-bridgetrans-114.8114.4172.4-176.90.6000110.9I43 Q92 M101 T105I43-D103 HydrophobicContact CD1-CB 4.48Å; I43-D103 HydrophobicContact CG1-CB 4.15Å; Q92-D103 PolarHBondContact NE2-OD2 2.83Å; M101-D103 VanDerWaalsContact C-N 3.29Å; M101-D103 PolarHBondContact O-N 3.48Å; D103-T105 WeakPolarHBondContact OD1-CB 2.8Å; D103-T105 PolarHBondContact OD1-N 2.8Å; D103-T105 PolarHBondContact OD1-OG1 2.81Å
104T94.4Very high89.4Confident1 Ų153.2 Ų53.21%0.00628%0.275CS..  trans-117.128.3175.8580000112.9C42 V56 W58 L96 I106 Y123C42-T104 PolarHBondContact O-N 2.03Å; V56-T104 HydrophobicContact CB-CG2 3.97Å; V56-T104 HydrophobicContact CG1-CG2 3.99Å; V56-T104 WeakPolarHBondContact CG1-OG1 3.48Å; V56-T104 HydrophobicContact CG2-CG2 3.78Å; W58-T104 PolarHBondContact NE1-O 2.7Å; L96-T104 HydrophobicContact CD2-CG2 3.89Å; T104-I106 PolarHBondContact O-N 3.31Å; T104-Y123 HydrophobicContact CG2-CE1 4.38Å; T104-Y123 PolarHBondContact N-OH 2.89Å; T104-Y123 PolarHBondContact OG1-OH 2.98Å
105T96.3Very high90Very high6 Ų651 Ų514%0.03726%0.256CS..  trans-48.9125.2172.7-64.90000111.4E39 L40 R41 C42 K91 D103E39-T105 HydrophobicContact CB-CG2 4.22Å; L40-T105 WeakPolarHBondContact O-CA 3.43Å; R41-T105 WeakPolarHBondContact CA-OG1 3.27Å; C42-T105 PolarHBondContact N-OG1 2.87Å; C42-T105 PolarHBondContact O-N 2.92Å; K91-T105 HydrophobicContact CB-CG2 4.15Å; K91-T105 WeakPolarHBondContact CB-O 3.33Å; K91-T105 HydrophobicContact CD-CG2 4.01Å; K91-T105 PolarHBondContact N-O 2.97Å; D103-T105 WeakPolarHBondContact OD1-CB 2.8Å; D103-T105 PolarHBondContact OD1-N 2.8Å; D103-T105 PolarHBondContact OD1-OG1 2.81Å
106I96.4Very high90.7Very high0 Ų054.1 Ų54.10%027%0.268CS..EExtended strand (participates in β ladder)trans-99.4153.2173.360.7172.5000111.3E39 L40 W58 V88 G89 F90 T104 F108E39-I106 WeakPolarHBondContact CA-O 3.03Å; L40-I106 HydrophobicContact CB-CG1 4.01Å; L40-I106 HydrophobicContact CD1-CD1 4.36Å; L40-I106 PolarHBondContact N-O 2.7Å; L40-I106 PolarHBondContact O-N 2.82Å; W58-I106 HydrophobicContact CB-CD1 4.41Å; W58-I106 HydrophobicContact CD2-CD1 3.57Å; W58-I106 HydrophobicContact CD2-CG1 3.95Å; W58-I106 HydrophobicContact CD2-CG2 4.36Å; W58-I106 HydrophobicContact CE3-CD1 3.69Å; W58-I106 HydrophobicContact CE3-CG1 4.24Å; W58-I106 HydrophobicContact CG-CD1 3.93Å; W58-I106 HydrophobicContact CG-CG1 4.49Å; W58-I106 HydrophobicContact CG-CG2 4.16Å; W58-I106 HydrophobicContact CH2-CD1 4.32Å; W58-I106 HydrophobicContact CH2-CG1 4Å; W58-I106 HydrophobicContact CZ2-CD1 4.24Å; W58-I106 HydrophobicContact CZ2-CG1 3.71Å; W58-I106 HydrophobicContact CZ2-CG2 4.5Å; W58-I106 HydrophobicContact CZ3-CD1 4.08Å; W58-I106 HydrophobicContact CZ3-CG1 4.27Å; V88-I106 HydrophobicContact CG1-CB 4.03Å; V88-I106 HydrophobicContact CG1-CD1 4.04Å; V88-I106 HydrophobicContact CG1-CG2 4.41Å; G89-I106 CarbonylContact O-C 3.49Å; G89-I106 WeakPolarHBondContact O-CA 3.42Å; F90-I106 HydrophobicContact CD1-CG2 3.72Å; F90-I106 HydrophobicContact CE1-CG2 3.69Å; F90-I106 HydrophobicContact CG-CG2 4.2Å; F90-I106 HydrophobicContact CZ-CG2 4.15Å; T104-I106 PolarHBondContact O-N 3.31Å; I106-F108 HydrophobicContact CD1-CE2 4.02Å
107V96.9Very high91.4Very high16 Ų1654.6 Ų54.610%0.09727%0.273CS..EExtended strand (participates in β ladder)trans-123.7121.6-178.6-174.10000108.2Q37 V38 E39 V88 G89 K91Q37-V107 HydrophobicContact CG-CG1 3.53Å; V38-V107 WeakPolarHBondContact O-CA 3.45Å; E39-V107 HydrophobicContact CG-CG1 4.43Å; E39-V107 HydrophobicContact CG-CG2 4.12Å; V88-V107 VanDerWaalsContact CA-O 3.29Å; V88-V107 WeakPolarHBondContact CA-O 2.98Å; G89-V107 PolarHBondContact N-O 2.71Å; G89-V107 PolarHBondContact O-N 2.76Å; K91-V107 HydrophobicContact CB-CG2 3.79Å; K91-V107 HydrophobicContact CG-CG2 4.29Å
108F97.4Very high92.4Very high0 Ų048 Ų480%024%0.244CC..EExtended strand (participates in β ladder)trans-82.4119.6163.7-75-103.8000107.9Q37 V38 L40 F84 R87 V88 I106 L111 D115 Y119 L137Q37-F108 CarbonylContact C-O 3.54Å; Q37-F108 WeakPolarHBondContact CA-O 3.04Å; Q37-F108 WeakPolarHBondContact CG-O 3.39Å; V38-F108 PolarHBondContact N-O 2.83Å; V38-F108 PolarHBondContact O-N 3.28Å; L40-F108 HydrophobicContact CD1-CD2 4.44Å; L40-F108 HydrophobicContact CD1-CE2 3.74Å; L40-F108 HydrophobicContact CG-CD2 4.41Å; L40-F108 HydrophobicContact CG-CE2 4.18Å; F84-F108 HydrophobicContact CD1-CE1 4.21Å; F84-F108 HydrophobicContact CE1-CE1 4.34Å; R87-F108 CarbonylContact O-C 3.41Å; R87-F108 VanDerWaalsContact O-CA 3.32Å; R87-F108 WeakPolarHBondContact O-CA 3.48Å; V88-F108 HydrophobicContact CG2-CD1 3.66Å; V88-F108 HydrophobicContact CG2-CD2 4.35Å; V88-F108 HydrophobicContact CG2-CE1 3.53Å; V88-F108 HydrophobicContact CG2-CE2 4.22Å; V88-F108 HydrophobicContact CG2-CG 4.06Å; V88-F108 HydrophobicContact CG2-CZ 3.82Å; I106-F108 HydrophobicContact CD1-CE2 4.02Å; F108-L111 HydrophobicContact CD1-CD1 4.29Å; F108-L111 HydrophobicContact CG-CD1 4.44Å; F108-D115 HydrophobicContact CE1-CB 4.2Å; F108-Y119 HydrophobicContact CE2-CE1 4.4Å; F108-Y119 AromaticContact CZ-CE1 3.7Å; F108-Y119 HydrophobicContact CZ-CE1 3.7Å; F108-Y119 AromaticContact CZ-CZ 3.7Å; F108-L137 HydrophobicContact CE2-CD2 4.42Å
109S95.3Very high93.2Very high73 Ų7340 Ų4051%0.5121%0.214SC..SBendtrans-79.2-31.4178-51.30000112.8R87R87-S109 PolarHBondContact O-N 3.03Å
110N94.9Very high94.1Very high75 Ų7534.5 Ų34.540%0.40119%0.189SC..SBendtrans-144.697.1-179.6177.6-0.4000109.2G35 R87G35-N110 WeakPolarHBondContact CA-OD1 3.38Å; R87-N110 PolarHBondContact NH1-O 2.88Å
111L95.9Very high94.7Very high0 Ų029.4 Ų29.40%017%0.165CC..  trans-72.7134.3-178.2-17267.5000112.3V34 G35 T36 V38 F108 D115 L137 V139V34-L111 CarbonylContact C-O 3.38Å; V34-L111 VanDerWaalsContact CA-O 3.31Å; V34-L111 WeakPolarHBondContact CA-O 3.38Å; G35-L111 PolarHBondContact N-O 2.79Å; T36-L111 WeakPolarHBondContact O-CB 3.39Å; T36-L111 PolarHBondContact O-N 2.87Å; T36-L111 VanDerWaalsContact O-N 3.15Å; V38-L111 HydrophobicContact CG2-CD2 3.89Å; F108-L111 HydrophobicContact CD1-CD1 4.29Å; F108-L111 HydrophobicContact CG-CD1 4.44Å; L111-D115 HydrophobicContact CD1-CB 3.84Å; L111-L137 HydrophobicContact CD1-CD2 3.87Å; L111-L137 HydrophobicContact CD1-CG 4.49Å; L111-V139 HydrophobicContact CD1-CG2 4.02Å; L111-V139 HydrophobicContact CD2-CB 4.42Å; L111-V139 HydrophobicContact CD2-CG1 3.93Å; L111-V139 HydrophobicContact CD2-CG2 4Å; L111-V139 HydrophobicContact CG-CG1 4Å; L111-V139 HydrophobicContact CG-CG2 3.97Å
112Q95.1Very high95.3Very high74 Ų7431 Ų3135%0.34617%0.172SC..  trans-116.7156.1178.9-64.1178.10.700111.3S114 D115Q112-S114 PolarHBondContact O-N 2.54Å; Q112-D115 WeakPolarHBondContact CB-OD2 3.17Å; Q112-D115 PolarHBondContact N-OD2 2.69Å; Q112-D115 WeakPolarHBondContact O-CB 3.33Å; Q112-D115 PolarHBondContact O-N 3.44Å
113L94.8Very high95.6Very high42 Ų4226.2 Ų26.222%0.2215%0.15CC..G310 helixtrans-56.7-35.2176.6-72.4168.7000112.9V34 D115 E116 V139 A141 K174 N198 T200V34-L113 HydrophobicContact CG2-CD2 3.78Å; V34-L113 HydrophobicContact CG2-CG 3.72Å; L113-D115 PolarHBondContact O-N 2.89Å; L113-E116 WeakPolarHBondContact O-CB 2.98Å; L113-E116 PolarHBondContact O-N 2.85Å; L113-V139 HydrophobicContact CD2-CG1 4.21Å; L113-A141 HydrophobicContact CD2-CB 4.33Å; L113-K174 HydrophobicContact CD2-CD 4.05Å; L113-N198 HydrophobicContact CD1-CB 4.25Å; L113-T200 HydrophobicContact CD1-CG2 3.63Å; L113-T200 HydrophobicContact CD2-CG2 4.26Å
114S93.4Very high95.7Very high76 Ų7625.9 Ų25.953%0.53115%0.149SC..G310 helixtrans-68.5-14.3176.5480000113.9K60 Q112 E116K60-S114 PolarHBondContact NZ-O 3.5Å; Q112-S114 PolarHBondContact O-N 2.54Å; S114-E116 VanDerWaalsContact C-N 3.26Å
115D94.3Very high95.6Very high2 Ų226.2 Ų26.21%0.01115%0.152CC..G310 helixtrans-79.8-6.3174.9-59.9-42.2000112.6R87 F108 L111 Q112 L113 A117 Y119R87-D115 IonicContact CZ-OD1 2.79Å; R87-D115 IonicContact CZ-OD2 3.43Å; R87-D115 IonicContact NH1-OD1 2.81Å; R87-D115 IonicContact NH1-OD2 3.66Å; R87-D115 PolarHBondContact NH1-OD2 2.86Å; R87-D115 IonicContact NH2-OD1 3.58Å; R87-D115 PolarHBondContact NH2-OD1 3.04Å; R87-D115 IonicContact NH2-OD2 2.69Å; R87-D115 PolarHBondContact NH2-OD2 2.99Å; F108-D115 HydrophobicContact CE1-CB 4.2Å; L111-D115 HydrophobicContact CD1-CB 3.84Å; Q112-D115 WeakPolarHBondContact CB-OD2 3.17Å; Q112-D115 PolarHBondContact N-OD2 2.69Å; Q112-D115 WeakPolarHBondContact O-CB 3.33Å; Q112-D115 PolarHBondContact O-N 3.44Å; L113-D115 PolarHBondContact O-N 2.89Å; D115-A117 PolarHBondContact O-N 3.24Å; D115-A117 VanDerWaalsContact O-N 3.1Å; D115-Y119 VanDerWaalsContact O-CE2 3.27Å; D115-Y119 WeakPolarHBondContact O-CE2 3.38Å; D115-Y119 PolarHBondContact O-OH 3.46Å
116E94.9Very high95.3Very high81 Ų8133 Ų3338%0.37918%0.18SC..  trans-63.6112.4174.4-179.4165.3-134.900111.3L113 S114 L137 V139 K174L113-E116 WeakPolarHBondContact O-CB 2.98Å; L113-E116 PolarHBondContact O-N 2.85Å; S114-E116 VanDerWaalsContact C-N 3.26Å; E116-L137 WeakPolarHBondContact CA-O 3.47Å; E116-V139 HydrophobicContact CB-CB 4.33Å; E116-V139 HydrophobicContact CB-CG2 3.91Å; E116-K174 IonicContact OE1-NZ 3.6Å; E116-K174 PolarHBondContact OE1-NZ 3.27Å; E116-K174 WeakPolarHBondContact OE2-CE 3.27Å; E116-K174 IonicContact OE2-NZ 2.67Å; E116-K174 PolarHBondContact OE2-NZ 3.17Å
117A95.4Very high94.9Very high16 Ų1637.9 Ų37.913%0.13221%0.213CC..EExtended strand (participates in β ladder)trans-169.9173.6-177.400000110.6K60 D115 Y119 L137K60-A117 HydrophobicContact CD-CB 4.08Å; K60-A117 HydrophobicContact CG-CB 3.58Å; D115-A117 PolarHBondContact O-N 3.24Å; D115-A117 VanDerWaalsContact O-N 3.1Å; A117-Y119 HydrophobicContact CB-CD2 4.39Å; A117-Y119 HydrophobicContact CB-CE2 3.92Å; A117-L137 PolarHBondContact N-O 3.28Å; A117-L137 PolarHBondContact O-N 3.12Å
118A96.2Very high94.5Very high12 Ų1238.7 Ų38.710%0.09922%0.221CC..EExtended strand (participates in β ladder)trans-86.3134.316100000109.5L61 M134 V135 N136L61-A118 HydrophobicContact CB-CB 4.35Å; L61-A118 PolarHBondContact N-O 3.32Å; A118-M134 HydrophobicContact CB-CE 4.03Å; A118-M134 HydrophobicContact CB-CG 3.92Å; A118-M134 HydrophobicContact CB-SD 3.55Å; A118-M134 VanDerWaalsContact CB-SD 3.55Å; A118-V135 WeakPolarHBondContact CA-O 3.13Å; A118-N136 WeakPolarHBondContact CB-OD1 3.47Å
119Y97.2Very high94.1Very high0 Ų040.1 Ų40.10%024%0.235CC..EExtended strand (participates in β ladder)trans-113.3128.4178.3-75.1-99.1000109.8L40 Q59 K60 V69 F108 D115 A117 M134 V135 L137L40-Y119 HydrophobicContact CD1-CD1 4.19Å; L40-Y119 HydrophobicContact CD1-CD2 4Å; L40-Y119 HydrophobicContact CD1-CG 3.75Å; Q59-Y119 CarbonylContact O-C 3.58Å; Q59-Y119 WeakPolarHBondContact O-CA 3.22Å; K60-Y119 HydrophobicContact CB-CD1 4.16Å; K60-Y119 HydrophobicContact CB-CE1 3.82Å; K60-Y119 HydrophobicContact CD-CE1 4.25Å; K60-Y119 HydrophobicContact CG-CD1 4.47Å; K60-Y119 HydrophobicContact CG-CE1 3.94Å; K60-Y119 HydrophobicContact CG-CE2 4.31Å; V69-Y119 HydrophobicContact CG2-CD1 4.27Å; V69-Y119 HydrophobicContact CG2-CE1 3.97Å; F108-Y119 HydrophobicContact CE2-CE1 4.4Å; F108-Y119 AromaticContact CZ-CE1 3.7Å; F108-Y119 HydrophobicContact CZ-CE1 3.7Å; F108-Y119 AromaticContact CZ-CZ 3.7Å; D115-Y119 VanDerWaalsContact O-CE2 3.27Å; D115-Y119 WeakPolarHBondContact O-CE2 3.38Å; D115-Y119 PolarHBondContact O-OH 3.46Å; A117-Y119 HydrophobicContact CB-CD2 4.39Å; A117-Y119 HydrophobicContact CB-CE2 3.92Å; Y119-M134 CarbonylContact O-C 3.58Å; Y119-M134 VanDerWaalsContact O-CA 3.27Å; Y119-M134 WeakPolarHBondContact O-CA 3.17Å; Y119-M134 WeakPolarHBondContact O-CG 3.44Å; Y119-V135 PolarHBondContact N-O 2.79Å; Y119-V135 PolarHBondContact O-N 3.45Å; Y119-L137 HydrophobicContact CD2-CB 3.97Å; Y119-L137 HydrophobicContact CD2-CD2 4.26Å; Y119-L137 HydrophobicContact CE2-CB 4.05Å; Y119-L137 HydrophobicContact CE2-CD2 3.78Å
120I97.3Very high94Very high7 Ų740.6 Ų40.64%0.03623%0.232CC..EExtended strand (participates in β ladder)trans-104.2135.4-179.4-58169.6000107.9W58 Q59 L61 K66 E132 N133 M134W58-I120 WeakPolarHBondContact CA-O 3.28Å; Q59-I120 HydrophobicContact CB-CB 4.37Å; Q59-I120 PolarHBondContact N-O 3.22Å; Q59-I120 PolarHBondContact O-N 3.11Å; L61-I120 HydrophobicContact CB-CD1 4.26Å; K66-I120 HydrophobicContact CD-CD1 4.41Å; K66-I120 VanDerWaalsContact CE-CD1 3.47Å; K66-I120 HydrophobicContact CG-CD1 4.42Å; I120-E132 HydrophobicContact CG2-CB 3.88Å; I120-E132 HydrophobicContact CG2-CG 4.27Å; I120-E132 WeakPolarHBondContact CG2-OE2 3.35Å; I120-N133 WeakPolarHBondContact CA-O 3.49Å; I120-M134 HydrophobicContact CD1-SD 4.48Å; I120-M134 HydrophobicContact CG1-CB 4.22Å; I120-M134 HydrophobicContact CG1-CG 3.81Å; I120-M134 HydrophobicContact CG1-SD 4Å
121C97.5Very high93.9Very high0 Ų041.1 Ų41.10%023%0.229CC..EExtended strand (participates in β ladder)trans-116.7113171.4-177.80000108.4M26 C42 W58 E132 N133M26-C121 HydrophobicContact CE-CB 3.72Å; M26-C121 HydrophobicContact SD-CB 3.58Å; M26-C121 VanDerWaalsContact SD-CB 3.58Å; C42-C121 HydrophobicContact CB-CB 3.78Å; C42-C121 WeakPolarHBondContact CB-SG 3.43Å; C42-C121 WeakPolarHBondContact SG-CB 3.43Å; C42-C121 CovalentContact SG-SG 2.02Å; C42-C121 PolarHBondContact SG-SG 2.9Å; W58-C121 HydrophobicContact CD2-CB 4Å; W58-C121 HydrophobicContact CE3-CB 4.02Å; W58-C121 HydrophobicContact CH2-CB 4.09Å; W58-C121 HydrophobicContact CZ2-CB 4.04Å; W58-C121 HydrophobicContact CZ3-CB 4.06Å; C121-E132 VanDerWaalsContact O-CA 3.28Å; C121-E132 WeakPolarHBondContact O-CA 3.36Å; C121-N133 PolarHBondContact N-O 3.04Å; C121-N133 PolarHBondContact O-N 3.49Å
122E97.1Very high93.9Very high36 Ų3645.9 Ų45.917%0.16825%0.251CS..EExtended strand (participates in β ladder)trans-107.4120.7-178.3-177.9-173.154.200110.5V56 T57 T124 N130 E132V56-E122 CarbonylContact C-O 3.51Å; V56-E122 VanDerWaalsContact CA-O 3.32Å; V56-E122 WeakPolarHBondContact CA-O 3.34Å; V56-E122 WeakPolarHBondContact CG1-O 3.42Å; T57-E122 PolarHBondContact N-O 2.65Å; T57-E122 PolarHBondContact O-N 3.33Å; E122-T124 HydrophobicContact CG-CG2 4.42Å; E122-N130 HydrophobicContact CG-CB 4.26Å; E122-N130 PolarHBondContact OE2-ND2 3.26Å; E122-E132 HydrophobicContact CB-CB 4.01Å; E122-E132 HydrophobicContact CG-CB 4.25Å
123Y95.4Very high93.9Very high0 Ų045.7 Ų45.70%025%0.252CS..EExtended strand (participates in β ladder)trans-92.7119.6165.4-80.8-97.9000109.7V24 C42 F44 I53 V56 M101 E102 T104 N130 R131V24-Y123 HydrophobicContact CB-CD2 4.45Å; V24-Y123 HydrophobicContact CG1-CD2 4.01Å; V24-Y123 HydrophobicContact CG1-CE2 4.05Å; V24-Y123 HydrophobicContact CG2-CD2 3.58Å; V24-Y123 HydrophobicContact CG2-CE2 4.33Å; V24-Y123 HydrophobicContact CG2-CG 4.32Å; C42-Y123 VanDerWaalsContact SG-CE2 3.54Å; F44-Y123 HydrophobicContact CB-CD1 3.85Å; F44-Y123 HydrophobicContact CB-CD2 4.29Å; F44-Y123 HydrophobicContact CB-CE1 3.56Å; F44-Y123 HydrophobicContact CB-CE2 3.99Å; F44-Y123 HydrophobicContact CB-CG 4.21Å; F44-Y123 AromaticContact CD2-CD1 3.86Å; F44-Y123 HydrophobicContact CD2-CD1 3.86Å; F44-Y123 HydrophobicContact CD2-CD2 4.12Å; F44-Y123 HydrophobicContact CD2-CE1 4.45Å; F44-Y123 AromaticContact CD2-CG 3.68Å; F44-Y123 HydrophobicContact CD2-CG 3.68Å; F44-Y123 HydrophobicContact CG-CD1 4.1Å; F44-Y123 HydrophobicContact CG-CE1 4.31Å; F44-Y123 HydrophobicContact CG-CG 4.32Å; F44-Y123 PolarHBondContact N-OH 3.01Å; I53-Y123 HydrophobicContact CD1-CD1 3.98Å; I53-Y123 HydrophobicContact CD1-CE1 3.87Å; I53-Y123 HydrophobicContact CG1-CD1 4.08Å; I53-Y123 HydrophobicContact CG1-CE1 4.45Å; I53-Y123 HydrophobicContact CG2-CD1 3.89Å; I53-Y123 HydrophobicContact CG2-CE1 4.3Å; V56-Y123 HydrophobicContact CB-CD1 4.46Å; V56-Y123 HydrophobicContact CB-CE1 4.41Å; V56-Y123 HydrophobicContact CG1-CD1 4.28Å; V56-Y123 HydrophobicContact CG1-CD2 4.06Å; V56-Y123 HydrophobicContact CG1-CE1 4.18Å; V56-Y123 HydrophobicContact CG1-CE2 4Å; V56-Y123 HydrophobicContact CG1-CG 4.22Å; V56-Y123 HydrophobicContact CG2-CD1 3.42Å; V56-Y123 VanDerWaalsContact CG2-CD1 3.42Å; V56-Y123 HydrophobicContact CG2-CE1 3.34Å; V56-Y123 HydrophobicContact CG2-CG 4.1Å; M101-Y123 VanDerWaalsContact O-CE1 3.25Å; M101-Y123 WeakPolarHBondContact O-CE1 3.4Å; M101-Y123 PolarHBondContact O-OH 2.86Å; M101-Y123 VanDerWaalsContact O-OH 3.09Å; E102-Y123 PolarHBondContact O-OH 3.35Å; E102-Y123 VanDerWaalsContact O-OH 3.14Å; T104-Y123 HydrophobicContact CG2-CE1 4.38Å; T104-Y123 PolarHBondContact N-OH 2.89Å; T104-Y123 PolarHBondContact OG1-OH 2.98Å; Y123-N130 CarbonylContact O-C 3.55Å; Y123-N130 VanDerWaalsContact O-CA 3.28Å; Y123-N130 WeakPolarHBondContact O-CA 3.31Å; Y123-R131 PolarHBondContact N-O 3.26Å; Y123-R131 PolarHBondContact O-N 2.99Å
124T94Very high94Very high26 Ų2647.1 Ų47.116%0.1626%0.258CS..EExtended strand (participates in β ladder)trans-91.3122.3167.968.70000108.7S54 Q55 E122S54-T124 PolarHBondContact N-O 3.35Å; Q55-T124 WeakPolarHBondContact CA-OG1 3.07Å; Q55-T124 WeakPolarHBondContact CB-OG1 3.39Å; Q55-T124 PolarHBondContact N-OG1 3.3Å; Q55-T124 PolarHBondContact O-N 2.85Å; Q55-T124 PolarHBondContact O-OG1 2.93Å; E122-T124 HydrophobicContact CG-CG2 4.42Å
125T92.2Very high94.1Very high9 Ų943.5 Ų43.56%0.05523%0.233CC..EExtended strand (participates in β ladder)trans-129.5148.6-17576.80000112F44 V51 K52 I53 G129F44-T125 HydrophobicContact CE2-CG2 3.86Å; F44-T125 HydrophobicContact CZ-CG2 3.98Å; V51-T125 HydrophobicContact CG2-CG2 4.41Å; K52-T125 WeakPolarHBondContact O-CA 3.04Å; I53-T125 HydrophobicContact CG1-CG2 4.34Å; T125-G129 PolarHBondContact N-O 3.15Å; T125-G129 WeakPolarHBondContact O-CA 3.49Å; T125-G129 PolarHBondContact O-N 2.79Å; T125-G129 PolarHBondContact OG1-O 2.67Å
126F88.6Confident94.2Very high147 Ų14747 Ų4765%0.64525%0.252SS*.EExtended strand (participates in β ladder)trans-116.4133.7173.9-173.1-92.2000110.6K52K52-F126 PolarHBondContact N-O 3.46Å; K52-F126 PolarHBondContact O-N 3.35Å
127P89.8Confident94.3Very high104 Ų10443.3 Ų43.368%0.67524%0.235SC*.THydrogen-bonded Turncis-88.10.3-1.635.5-36.9000115G129P127-G129 VanDerWaalsContact C-N 3.28Å; P127-G129 PolarHBondContact O-N 3.02Å
128A86.9Confident94.3Very high33 Ų3344.9 Ų44.927%0.27324%0.243SC..THydrogen-bonded Turntrans-77.8-1.6-166.400000116.4V51 R131V51-A128 HydrophobicContact CG1-CB 3.66Å; A128-R131 PolarHBondContact O-NH1 2.86Å; A128-R131 PolarHBondContact O-NH2 3.01Å; A128-R131 VanDerWaalsContact O-NH2 3.13Å
129G90Very high94.4Very high29 Ų2944.3 Ų44.330%0.29924%0.238SC..EExtended strand (participates in β ladder)trans80.8-159.1178.200000113.4T125 P127T125-G129 PolarHBondContact N-O 3.15Å; T125-G129 WeakPolarHBondContact O-CA 3.49Å; T125-G129 PolarHBondContact O-N 2.79Å; T125-G129 PolarHBondContact OG1-O 2.67Å; P127-G129 VanDerWaalsContact C-N 3.28Å; P127-G129 PolarHBondContact O-N 3.02Å
130N93.3Very high94.4Very high83 Ų8345.4 Ų45.444%0.44424%0.243SC..EExtended strand (participates in β ladder)trans-86.5146.7-175.7-63.38.8000111.5E122 Y123E122-N130 HydrophobicContact CG-CB 4.26Å; E122-N130 PolarHBondContact OE2-ND2 3.26Å; Y123-N130 CarbonylContact O-C 3.55Å; Y123-N130 VanDerWaalsContact O-CA 3.28Å; Y123-N130 WeakPolarHBondContact O-CA 3.31Å
131R93.5Very high94.3Very high87 Ų8745.6 Ų45.633%0.32825%0.245SC..EExtended strand (participates in β ladder)trans-131.5127.2166.2-62.3-65.2179.4-78.1-9.1107.5V24 F44 Y123 A128V24-R131 HydrophobicContact CG2-CB 3.8Å; V24-R131 WeakPolarHBondContact CG2-O 3.47Å; F44-R131 HydrophobicContact CE2-CB 4.4Å; F44-R131 HydrophobicContact CE2-CG 4.32Å; Y123-R131 PolarHBondContact N-O 3.26Å; Y123-R131 PolarHBondContact O-N 2.99Å; A128-R131 PolarHBondContact O-NH1 2.86Å; A128-R131 PolarHBondContact O-NH2 3.01Å; A128-R131 VanDerWaalsContact O-NH2 3.13Å
132E94.8Very high94.3Very high99 Ų9951.7 Ų51.746%0.46327%0.269SS..EExtended strand (participates in β ladder)trans-124.4156.2174.365.2173.1-153.600111.2K66 I120 C121 E122K66-E132 IonicContact NZ-OE1 3.64Å; K66-E132 IonicContact NZ-OE2 3.6Å; K66-E132 PolarHBondContact NZ-OE2 3.37Å; I120-E132 HydrophobicContact CG2-CB 3.88Å; I120-E132 HydrophobicContact CG2-CG 4.27Å; I120-E132 WeakPolarHBondContact CG2-OE2 3.35Å; C121-E132 VanDerWaalsContact O-CA 3.28Å; C121-E132 WeakPolarHBondContact O-CA 3.36Å; E122-E132 HydrophobicContact CB-CB 4.01Å; E122-E132 HydrophobicContact CG-CB 4.25Å
133N95.8Very high94.2Very high70 Ų7050.6 Ų50.637%0.37427%0.265SS..EExtended strand (participates in β ladder)trans-144.7171.9165.8-164.90.4000108.5V24 M26 I120 C121V24-N133 HydrophobicContact CB-CB 3.91Å; V24-N133 HydrophobicContact CG1-CB 4.12Å; V24-N133 WeakPolarHBondContact O-CB 3.45Å; V24-N133 PolarHBondContact O-ND2 3.45Å; M26-N133 HydrophobicContact CG-CB 4.03Å; M26-N133 HydrophobicContact SD-CB 3.82Å; I120-N133 WeakPolarHBondContact CA-O 3.49Å; C121-N133 PolarHBondContact N-O 3.04Å; C121-N133 PolarHBondContact O-N 3.49Å
134M95.5Very high94.2Very high72 Ų7257.2 Ų57.236%0.35530%0.297SS..EExtended strand (participates in β ladder)trans-138.6140.6-169.1-168.4177.876.200112.7L61 A118 Y119 I120L61-M134 HydrophobicContact CD2-SD 4.23Å; A118-M134 HydrophobicContact CB-CE 4.03Å; A118-M134 HydrophobicContact CB-CG 3.92Å; A118-M134 HydrophobicContact CB-SD 3.55Å; A118-M134 VanDerWaalsContact CB-SD 3.55Å; Y119-M134 CarbonylContact O-C 3.58Å; Y119-M134 VanDerWaalsContact O-CA 3.27Å; Y119-M134 WeakPolarHBondContact O-CA 3.17Å; Y119-M134 WeakPolarHBondContact O-CG 3.44Å; I120-M134 HydrophobicContact CD1-SD 4.48Å; I120-M134 HydrophobicContact CG1-CB 4.22Å; I120-M134 HydrophobicContact CG1-CG 3.81Å; I120-M134 HydrophobicContact CG1-SD 4Å
135V96.9Very high94.3Very high1 Ų157.5 Ų57.51%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-119.3132.8172.660.10000110.6M26 D27 K30 L40 W58 A118 Y119M26-V135 HydrophobicContact CE-CB 4.06Å; M26-V135 HydrophobicContact CE-CG1 3.62Å; D27-V135 HydrophobicContact CB-CG2 4.36Å; D27-V135 WeakPolarHBondContact O-CB 3.37Å; D27-V135 WeakPolarHBondContact O-CG2 3.3Å; K30-V135 HydrophobicContact CB-CG2 4.15Å; K30-V135 HydrophobicContact CG-CG2 3.96Å; L40-V135 HydrophobicContact CB-CG1 4.3Å; L40-V135 HydrophobicContact CD1-CG1 4.04Å; L40-V135 HydrophobicContact CD2-CG1 4.13Å; L40-V135 HydrophobicContact CD2-CG2 4.46Å; L40-V135 HydrophobicContact CG-CG1 4.4Å; W58-V135 HydrophobicContact CZ3-CG1 4.4Å; A118-V135 WeakPolarHBondContact CA-O 3.13Å; Y119-V135 PolarHBondContact N-O 2.79Å; Y119-V135 PolarHBondContact O-N 3.45Å
136N96.8Very high94.5Very high76 Ų7663.1 Ų63.141%0.40632%0.319SS..EExtended strand (participates in β ladder)trans-85.2118.6171.7-68-58.3000110.4S28 S29 K30 A118S28-N136 PolarHBondContact O-N 2.95Å; S29-N136 CarbonylContact C-O 3.55Å; S29-N136 VanDerWaalsContact CA-O 3.32Å; S29-N136 WeakPolarHBondContact CA-O 3.3Å; K30-N136 PolarHBondContact N-O 3.26Å; K30-N136 VanDerWaalsContact O-O 3.13Å; A118-N136 WeakPolarHBondContact CB-OD1 3.47Å
137L96.7Very high94.8Very high3 Ų357.1 Ų57.12%0.01629%0.293CS..EExtended strand (participates in β ladder)trans-100108.6178177.955.8000110.9K30 V38 L40 F108 L111 E116 A117 Y119K30-L137 HydrophobicContact CB-CD1 4.23Å; K30-L137 WeakPolarHBondContact O-CA 3.47Å; V38-L137 HydrophobicContact CG1-CD1 4.19Å; L40-L137 HydrophobicContact CD1-CD2 4.36Å; L40-L137 HydrophobicContact CD2-CD1 4.28Å; L40-L137 HydrophobicContact CD2-CD2 4.42Å; F108-L137 HydrophobicContact CE2-CD2 4.42Å; L111-L137 HydrophobicContact CD1-CD2 3.87Å; L111-L137 HydrophobicContact CD1-CG 4.49Å; E116-L137 WeakPolarHBondContact CA-O 3.47Å; A117-L137 PolarHBondContact N-O 3.28Å; A117-L137 PolarHBondContact O-N 3.12Å; Y119-L137 HydrophobicContact CD2-CB 3.97Å; Y119-L137 HydrophobicContact CD2-CD2 4.26Å; Y119-L137 HydrophobicContact CE2-CB 4.05Å; Y119-L137 HydrophobicContact CE2-CD2 3.78Å
138T95.9Very high95Very high49 Ų4955.1 Ų55.130%0.30128%0.279SS..EExtended strand (participates in β ladder)trans-97.1123.4175.6-54.90000111.2K30 S31 G32 F140K30-T138 PolarHBondContact O-N 2.85Å; S31-T138 WeakPolarHBondContact CA-O 3.5Å; S31-T138 WeakPolarHBondContact CB-O 3.41Å; G32-T138 PolarHBondContact N-O 2.93Å; T138-F140 HydrophobicContact CG2-CD1 4.2Å; T138-F140 HydrophobicContact CG2-CE1 3.55Å; T138-F140 HydrophobicContact CG2-CZ 3.96Å
139V96.8Very high95.4Very high0 Ų056.5 Ų56.50%028%0.282CS..EExtended strand (participates in β ladder)trans-98.1129.6-179.9-172.20000110.9V34 L111 L113 E116 K174V34-V139 HydrophobicContact CG2-CG1 3.71Å; L111-V139 HydrophobicContact CD1-CG2 4.02Å; L111-V139 HydrophobicContact CD2-CB 4.42Å; L111-V139 HydrophobicContact CD2-CG1 3.93Å; L111-V139 HydrophobicContact CD2-CG2 4Å; L111-V139 HydrophobicContact CG-CG1 4Å; L111-V139 HydrophobicContact CG-CG2 3.97Å; L113-V139 HydrophobicContact CD2-CG1 4.21Å; E116-V139 HydrophobicContact CB-CB 4.33Å; E116-V139 HydrophobicContact CB-CG2 3.91Å; V139-K174 PolarHBondContact O-NZ 2.91Å
140F97Very high95.5Very high22 Ų2259 Ų5910%0.09629%0.291CS..EExtended strand (participates in β ladder)trans-106.8144.3177.6-62.1-42.8000111.9S31 G32 F33 V34 T138 K174 R227S31-F140 WeakPolarHBondContact OG-CE2 3.33Å; G32-F140 PolarHBondContact O-N 2.87Å; F33-F140 CarbonylContact C-O 3.36Å; F33-F140 VanDerWaalsContact CA-O 3.27Å; F33-F140 WeakPolarHBondContact CA-O 3.5Å; F33-F140 HydrophobicContact CD1-CB 3.59Å; F33-F140 HydrophobicContact CE1-CB 3.68Å; F33-F140 HydrophobicContact CE1-CG 4.5Å; F33-F140 HydrophobicContact CG-CB 4.37Å; V34-F140 PolarHBondContact N-O 2.79Å; T138-F140 HydrophobicContact CG2-CD1 4.2Å; T138-F140 HydrophobicContact CG2-CE1 3.55Å; T138-F140 HydrophobicContact CG2-CZ 3.96Å; F140-K174 WeakPolarHBondContact CA-O 3.09Å; F140-R227 VanDerWaalsContact CE2-CZ 3.47Å
141A96.8Very high95.4Very high11 Ų1157.2 Ų57.29%0.09129%0.286CS..BIsolated β-bridgetrans-119.7123.1172.200000109.3V34 L113 N172 K174 T200 Y226V34-A141 HydrophobicContact CG2-CB 4.29Å; L113-A141 HydrophobicContact CD2-CB 4.33Å; A141-N172 WeakPolarHBondContact CB-O 3.44Å; A141-K174 HydrophobicContact CB-CB 3.97Å; A141-K174 PolarHBondContact N-O 3.29Å; A141-K174 PolarHBondContact O-N 3.01Å; A141-T200 HydrophobicContact CB-CG2 4.08Å; A141-Y226 PolarHBondContact O-OH 3.27Å
142R95.9Very high95.3Very high129 Ų12958.2 Ų58.249%0.48730%0.303SS..  trans-69.9127.5173.7-69.7-179.6171.6-84.4-2.1108.5F33 Y226 E229F33-R142 HydrophobicContact CD1-CG 3.68Å; F33-R142 HydrophobicContact CE1-CG 3.7Å; F33-R142 HydrophobicContact CG-CG 4.5Å; R142-Y226 HydrophobicContact CG-CE1 4.24Å; R142-E229 IonicContact CZ-OE1 2.6Å; R142-E229 IonicContact CZ-OE2 2.67Å; R142-E229 IonicContact NH1-OE1 2.8Å; R142-E229 PolarHBondContact NH1-OE1 2.91Å; R142-E229 IonicContact NH1-OE2 2.91Å; R142-E229 PolarHBondContact NH1-OE2 3.02Å; R142-E229 IonicContact NH2-OE1 2.67Å; R142-E229 PolarHBondContact NH2-OE1 2.78Å
143P96.6Very high95.1Very high13 Ų1356 Ų568%0.08430%0.297CS..  trans-74.4146.2-178.429-34.3000112.1S170 A171 Y226P143-S170 WeakPolarHBondContact CB-OG 3.46Å; P143-A171 CarbonylContact C-O 3.14Å; P143-A171 WeakPolarHBondContact CA-O 3.38Å; P143-Y226 VanDerWaalsContact CD-CD2 3.5Å; P143-Y226 HydrophobicContact CG-CD2 3.85Å; P143-Y226 HydrophobicContact CG-CE2 4.46Å; P143-Y226 HydrophobicContact CG-CG 3.91Å
144M95.4Very high94.9Very high139 Ų13952.9 Ų52.969%0.68528%0.28SS*.EExtended strand (participates in β ladder)trans-87109.5170-168.6-176.7-169.200109.5A171M144-A171 PolarHBondContact N-O 2.96Å; M144-A171 PolarHBondContact O-N 3.15Å
145T95.8Very high94.7Very high32 Ų3251.6 Ų51.620%0.19628%0.276CS..EExtended strand (participates in β ladder)trans-88.7138178.4-62.60000111T169 V224 I231T145-T169 CarbonylContact C-O 3.58Å; T145-T169 WeakPolarHBondContact CA-O 3.27Å; T145-V224 HydrophobicContact CG2-CB 4.31Å; T145-V224 HydrophobicContact CG2-CG2 3.55Å; T145-I231 HydrophobicContact CG2-CG2 4.17Å
146R95.3Very high94.4Very high126 Ų12652.1 Ų52.148%0.47528%0.28SS..EExtended strand (participates in β ladder)trans-145135.3170.560.1178.6-173.9-115.42.3111.6T169R146-T169 PolarHBondContact N-O 2.9Å; R146-T169 PolarHBondContact O-N 2.91Å
147M95Very high93.5Very high21 Ų2157.5 Ų57.510%0.10330%0.295CS..EExtended strand (participates in β ladder)trans-93.5138161-172.77786.700110.4A166 C168 W181 C222 D233 V235M147-A166 HydrophobicContact SD-CB 4.16Å; M147-C168 HydrophobicContact SD-CB 4.15Å; M147-W181 HydrophobicContact CE-CE3 4.45Å; M147-W181 HydrophobicContact CE-CH2 4.21Å; M147-W181 HydrophobicContact CE-CZ3 3.6Å; M147-W181 HydrophobicContact SD-CH2 3.67Å; M147-W181 HydrophobicContact SD-CZ3 3.65Å; M147-C222 HydrophobicContact CE-CB 3.31Å; M147-C222 VanDerWaalsContact CE-N 3.3Å; M147-C222 HydrophobicContact SD-CB 4.16Å; M147-D233 HydrophobicContact CB-CB 4.08Å; M147-D233 VanDerWaalsContact CB-CG 3.49Å; M147-D233 WeakPolarHBondContact CB-OD2 3.42Å; M147-D233 WeakPolarHBondContact CE-O 3.37Å; M147-D233 PolarHBondContact N-OD2 2.86Å; M147-D233 VanDerWaalsContact N-OD2 3.07Å; M147-V235 HydrophobicContact CE-CG2 4.29Å; M147-V235 HydrophobicContact CG-CB 4.48Å; M147-V235 HydrophobicContact CG-CG1 3.66Å; M147-V235 HydrophobicContact CG-CG2 4.05Å; M147-V235 HydrophobicContact SD-CG2 4.35Å
148T95.1Very high92.2Very high63 Ų6360.7 Ų60.739%0.38733%0.328SS..EExtended strand (participates in β ladder)trans-136.8127.1171.757.50000110.5A166 T167T148-A166 CarbonylContact O-C 3.57Å; T148-A166 WeakPolarHBondContact O-CA 3.35Å; T148-T167 PolarHBondContact N-O 3.08Å; T148-T167 PolarHBondContact O-N 2.85Å; T148-T167 PolarHBondContact OG1-O 2.86Å
149L94.8Very high91.2Very high61 Ų6167.2 Ų67.232%0.31935%0.352SS..EExtended strand (participates in β ladder)trans-68147.3166.6-72.7170.2000110.4S151 V165 A166 V235 L237L149-S151 VanDerWaalsContact C-N 3.31Å; L149-V165 WeakPolarHBondContact CD2-O 3.4Å; L149-A166 HydrophobicContact CD2-CB 4.31Å; L149-V235 HydrophobicContact CD1-CB 4.44Å; L149-V235 HydrophobicContact CD1-CG1 4.5Å; L149-V235 HydrophobicContact CD2-CB 4.01Å; L149-V235 HydrophobicContact CD2-CG1 4.46Å; L149-V235 HydrophobicContact CD2-CG2 3.74Å; L149-V235 HydrophobicContact CG-CB 4.16Å; L149-V235 HydrophobicContact CG-CG1 4.12Å; L149-V235 HydrophobicContact CG-CG2 4.3Å; L149-L237 HydrophobicContact CD2-CD2 3.79Å
150T92.3Very high90.5Very high82 Ų8276.3 Ų76.350%0.50339%0.392SS..SBendtrans-73-27.1176-60.50000112.2T164 V165T150-T164 VanDerWaalsContact CB-O 3.29Å; T150-T164 WeakPolarHBondContact CB-O 3.5Å; T150-T164 PolarHBondContact OG1-O 3.34Å; T150-V165 PolarHBondContact N-O 3.42Å
151S91.1Very high90.1Very high46 Ų4683 Ų8332%0.32242%0.416SS..  trans-153.9146.8173.5177.60000108.8L149 T153L149-S151 VanDerWaalsContact C-N 3.31Å; S151-T153 VanDerWaalsContact CB-O 3.29Å; S151-T153 WeakPolarHBondContact CB-O 3.09Å; S151-T153 PolarHBondContact O-N 3.04Å; S151-T153 PolarHBondContact OG-N 3.01Å; S151-T153 PolarHBondContact OG-O 2.84Å
152P90.8Very high89.8Confident108 Ų10886.7 Ų86.770%0.70144%0.435SS*.SBendtrans-63.2-25.617327-36000112.9
153T90.6Very high89.6Confident52 Ų5283.3 Ų83.332%0.31943%0.425SS..SBendtrans-132.2132.2174.752.60000110.3S151S151-T153 VanDerWaalsContact CB-O 3.29Å; S151-T153 WeakPolarHBondContact CB-O 3.09Å; S151-T153 PolarHBondContact O-N 3.04Å; S151-T153 PolarHBondContact OG-N 3.01Å; S151-T153 PolarHBondContact OG-O 2.84Å
154I91.8Very high89.5Confident5 Ų584.9 Ų84.93%0.02644%0.435CS..EExtended strand (participates in β ladder)trans-110.6125.7-178.8-64.6153.7000107.8M163 V165 P211 L237 N238 V239 Q240I154-M163 HydrophobicContact CG2-SD 3.98Å; I154-V165 HydrophobicContact CD1-CB 3.77Å; I154-V165 HydrophobicContact CD1-CG1 3.71Å; I154-V165 HydrophobicContact CG1-CG1 4.48Å; I154-V165 HydrophobicContact CG2-CG1 4.44Å; I154-P211 HydrophobicContact CG2-CB 3.65Å; I154-P211 HydrophobicContact CG2-CG 3.54Å; I154-L237 HydrophobicContact CD1-CD2 4.15Å; I154-N238 PolarHBondContact N-O 2.85Å; I154-V239 HydrophobicContact CB-CG2 4.23Å; I154-V239 HydrophobicContact CD1-CG2 4.46Å; I154-V239 HydrophobicContact CG2-CG1 4.49Å; I154-V239 HydrophobicContact CG2-CG2 4.39Å; I154-V239 CarbonylContact O-C 3.52Å; I154-V239 VanDerWaalsContact O-CA 3.27Å; I154-V239 WeakPolarHBondContact O-CA 3.13Å; I154-Q240 PolarHBondContact O-N 2.85Å
155V91.9Very high89.5Confident44 Ų4478.3 Ų78.327%0.26740%0.403SS..EExtended strand (participates in β ladder)trans-96.5115.4179.7179.70000110.5R157 I318V155-R157 HydrophobicContact CG1-CG 3.99Å; V155-R157 PolarHBondContact O-N 2.98Å; V155-R157 VanDerWaalsContact O-N 3.08Å; V155-I318 HydrophobicContact CG1-CD1 4.02Å; V155-I318 HydrophobicContact CG1-CG2 4.25Å; V155-I318 HydrophobicContact CG2-CD1 4.25Å
156A89.4Confident89.5Confident12 Ų1276.8 Ų76.810%0.09939%0.393CS..  trans-71.494.5166.500000109.2P211 V239 Q240A156-P211 HydrophobicContact CB-CB 4.17Å; A156-P211 VanDerWaalsContact CB-O 3.31Å; A156-P211 WeakPolarHBondContact CB-O 3.43Å; A156-V239 HydrophobicContact CB-CG1 3.91Å; A156-Q240 WeakPolarHBondContact CB-O 3.41Å; A156-Q240 PolarHBondContact N-O 2.87Å
157R78.8Confident89.6Confident190 Ų19071.1 Ų71.172%0.71737%0.372SS*.  trans-79.5149.6175.2-60-178.7-172.8-97.32.1109.6V155 K159V155-R157 HydrophobicContact CG1-CG 3.99Å; V155-R157 PolarHBondContact O-N 2.98Å; V155-R157 VanDerWaalsContact O-N 3.08Å; R157-K159 CarbonylContact O-C 3.56Å; R157-K159 PolarHBondContact O-N 2.97Å
158G68.4Low89.7Confident69 Ų6970.1 Ų70.171%0.71137%0.367SS*.SBendtrans-57.4-18.4179.900000115.8
159K76.1Confident89.9Confident187 Ų18767.3 Ų67.381%0.81335%0.35SS*.SBendtrans-85.2111166.3-70-172.6178.1-176.40109.9R157 R161R157-K159 CarbonylContact O-C 3.56Å; R157-K159 PolarHBondContact O-N 2.97Å; K159-R161 PolarHBondContact O-N 2.76Å
160K82.2Confident90Very high191 Ų19164.4 Ų64.483%0.8334%0.335SS*.  trans-58.695.6173-67-176.8-179-179.30110.5V210K160-V210 HydrophobicContact CB-CG1 3.89Å; K160-V210 HydrophobicContact CG-CG1 4.22Å
161R87.8Confident90.3Very high161 Ų16160.9 Ų60.961%0.60831%0.314SS*.  trans-123132.1179.4-168.5-178.672.683.8-17.1110.4K159 M163K159-R161 PolarHBondContact O-N 2.76Å; R161-M163 PolarHBondContact O-N 2.82Å
162N90.5Very high90.5Very high90 Ų9062.5 Ų62.548%0.48132%0.319SS..  trans-57.5128.1169.3-73.9-0.6000110.4V208 V210N162-V208 HydrophobicContact CB-CG1 3.74Å; N162-V210 WeakPolarHBondContact OD1-CG2 3.38Å
163M91.3Very high90.8Very high57 Ų5757.3 Ų57.328%0.28129%0.286SS..EExtended strand (participates in β ladder)trans-135.9135.1179.1172.6169.9-80.900109.6I154 R161 V165 V208 V209 P211I154-M163 HydrophobicContact CG2-SD 3.98Å; R161-M163 PolarHBondContact O-N 2.82Å; M163-V165 PolarHBondContact O-N 3.37Å; M163-V208 WeakPolarHBondContact O-CA 3.47Å; M163-V209 PolarHBondContact N-O 3.07Å; M163-V209 PolarHBondContact O-N 3.3Å; M163-V209 VanDerWaalsContact O-O 3.12Å; M163-P211 HydrophobicContact CB-CG 4.15Å; M163-P211 HydrophobicContact SD-CG 4.38Å
164T94.6Very high91.1Very high47 Ų4756.4 Ų56.429%0.28828%0.277SS..EExtended strand (participates in β ladder)trans-65.9123.6166.6-49.90000109.1T150 Y207T150-T164 VanDerWaalsContact CB-O 3.29Å; T150-T164 WeakPolarHBondContact CB-O 3.5Å; T150-T164 PolarHBondContact OG1-O 3.34Å; T164-Y207 WeakPolarHBondContact CA-O 3.03Å
165V95.5Very high91.3Very high1 Ų158.5 Ų58.51%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-104.5-33-179.7-65.40000112.5L149 T150 I154 M163 Y207 V209 L220 L237L149-V165 WeakPolarHBondContact CD2-O 3.4Å; T150-V165 PolarHBondContact N-O 3.42Å; I154-V165 HydrophobicContact CD1-CB 3.77Å; I154-V165 HydrophobicContact CD1-CG1 3.71Å; I154-V165 HydrophobicContact CG1-CG1 4.48Å; I154-V165 HydrophobicContact CG2-CG1 4.44Å; M163-V165 PolarHBondContact O-N 3.37Å; V165-Y207 HydrophobicContact CG2-CD1 4.27Å; V165-Y207 PolarHBondContact N-O 3.45Å; V165-V209 HydrophobicContact CB-CG1 4.34Å; V165-V209 HydrophobicContact CG1-CG1 3.54Å; V165-V209 HydrophobicContact CG2-CG1 3.82Å; V165-L220 HydrophobicContact CG2-CD2 4.07Å; V165-L237 HydrophobicContact CB-CD1 4.37Å; V165-L237 HydrophobicContact CB-CD2 4.11Å; V165-L237 HydrophobicContact CG2-CD1 4.06Å; V165-L237 HydrophobicContact CG2-CD2 4.17Å
166A96.4Very high91.5Very high0 Ų059.4 Ų59.40%030%0.298CS..EExtended strand (participates in β ladder)trans-143.5156.6176.700000111.4M147 T148 L149 W181 S206 Y207 L220 V235M147-A166 HydrophobicContact SD-CB 4.16Å; T148-A166 CarbonylContact O-C 3.57Å; T148-A166 WeakPolarHBondContact O-CA 3.35Å; L149-A166 HydrophobicContact CD2-CB 4.31Å; A166-W181 HydrophobicContact CB-CH2 4.08Å; A166-W181 HydrophobicContact CB-CZ3 4.28Å; A166-S206 WeakPolarHBondContact O-CA 3.42Å; A166-Y207 PolarHBondContact O-N 2.82Å; A166-L220 HydrophobicContact CB-CD2 3.62Å; A166-V235 HydrophobicContact CB-CG2 4.26Å
167T97.4Very high91.9Very high6 Ų658.9 Ų58.94%0.03729%0.294CS..EExtended strand (participates in β ladder)trans-129.4127.5171.9-63.60000108.3T148 R204 S205T148-T167 PolarHBondContact N-O 3.08Å; T148-T167 PolarHBondContact O-N 2.85Å; T148-T167 PolarHBondContact OG1-O 2.86Å; T167-R204 HydrophobicContact CG2-CG 3.7Å; T167-R204 VanDerWaalsContact CG2-NE 3.27Å; T167-S205 CarbonylContact C-O 3.55Å; T167-S205 WeakPolarHBondContact CA-O 3.34Å
168C97.7Very high92.8Very high0 Ų053.8 Ų53.80%028%0.284CS..EExtended strand (participates in β ladder)trans-102.8127.5167.4-169.40000108.6M147 I179 W181 S205 C222M147-C168 HydrophobicContact SD-CB 4.15Å; C168-I179 HydrophobicContact CB-CG2 4.4Å; C168-W181 HydrophobicContact CB-CH2 3.74Å; C168-W181 HydrophobicContact CB-CZ2 3.73Å; C168-S205 PolarHBondContact N-O 3.43Å; C168-S205 PolarHBondContact O-N 2.9Å; C168-C222 HydrophobicContact CB-CB 3.57Å; C168-C222 WeakPolarHBondContact CB-SG 3.29Å; C168-C222 WeakPolarHBondContact SG-CB 3.47Å; C168-C222 CovalentContact SG-SG 2.03Å; C168-C222 PolarHBondContact SG-SG 3.44Å
169T97.8Very high94.1Very high5 Ų551.5 Ų51.53%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-121.1127.5176.8-47.10000109.6T145 R146 A171 T202T145-T169 CarbonylContact C-O 3.58Å; T145-T169 WeakPolarHBondContact CA-O 3.27Å; R146-T169 PolarHBondContact N-O 2.9Å; R146-T169 PolarHBondContact O-N 2.91Å; T169-A171 HydrophobicContact CG2-CB 4.44Å; T169-T202 HydrophobicContact CG2-CG2 3.93Å
170S98.1Very high95.1Very high0 Ų049.3 Ų49.30%025%0.246CC..EExtended strand (participates in β ladder)trans-111.997.2170.2-175.30000107.9P143 S177 T202 V203 V224P143-S170 WeakPolarHBondContact CB-OG 3.46Å; S170-S177 VanDerWaalsContact CB-OG 3.24Å; S170-S177 WeakPolarHBondContact CB-OG 3.42Å; S170-S177 PolarHBondContact OG-OG 2.97Å; S170-T202 WeakPolarHBondContact O-CA 3.37Å; S170-V203 PolarHBondContact N-O 2.82Å; S170-V203 PolarHBondContact O-N 3.37Å; S170-V224 WeakPolarHBondContact OG-CG1 3.24Å
171A97.3Very high95.8Very high7 Ų742.2 Ų42.26%0.05821%0.213CC..EExtended strand (participates in β ladder)trans-93.4145.1-169.500000112.9P143 M144 T169 G173 T202P143-A171 CarbonylContact C-O 3.14Å; P143-A171 WeakPolarHBondContact CA-O 3.38Å; M144-A171 PolarHBondContact N-O 2.96Å; M144-A171 PolarHBondContact O-N 3.15Å; T169-A171 HydrophobicContact CG2-CB 4.44Å; A171-G173 VanDerWaalsContact C-N 3.3Å; A171-G173 PolarHBondContact O-N 3.12Å; A171-T202 HydrophobicContact CB-CG2 4.19Å
172N96.4Very high96.2Very high80 Ų8037.6 Ų37.643%0.42821%0.206SC..EExtended strand (participates in β ladder)trans59.330.9169.1-50.8-26.7000115.4A141 N196 T202A141-N172 WeakPolarHBondContact CB-O 3.44Å; N172-N196 PolarHBondContact OD1-ND2 2.92Å; N172-N196 VanDerWaalsContact OD1-ND2 3.13Å; N172-T202 PolarHBondContact N-OG1 2.89Å; N172-T202 VanDerWaalsContact N-OG1 3.13Å; N172-T202 PolarHBondContact OD1-OG1 3.24Å
173G96.6Very high96.4Very high0 Ų035.2 Ų35.20%020%0.195CC..EExtended strand (participates in β ladder)trans-76.1139.6176.700000112.8A171 P175 V201A171-G173 VanDerWaalsContact C-N 3.3Å; A171-G173 PolarHBondContact O-N 3.12Å; G173-P175 CarbonylContact C-O 3.54Å; G173-V201 PolarHBondContact N-O 3.38Å; G173-V201 PolarHBondContact O-N 2.92Å
174K96.6Very high96.5Very high32 Ų3239.9 Ų39.914%0.13922%0.22CC..BIsolated β-bridgetrans-138.9115.9165.2-176.7164.5-178.8-84.10109.9L113 E116 V139 F140 A141 T200 Y226L113-K174 HydrophobicContact CD2-CD 4.05Å; E116-K174 IonicContact OE1-NZ 3.6Å; E116-K174 PolarHBondContact OE1-NZ 3.27Å; E116-K174 WeakPolarHBondContact OE2-CE 3.27Å; E116-K174 IonicContact OE2-NZ 2.67Å; E116-K174 PolarHBondContact OE2-NZ 3.17Å; V139-K174 PolarHBondContact O-NZ 2.91Å; F140-K174 WeakPolarHBondContact CA-O 3.09Å; A141-K174 HydrophobicContact CB-CB 3.97Å; A141-K174 PolarHBondContact N-O 3.29Å; A141-K174 PolarHBondContact O-N 3.01Å; K174-T200 HydrophobicContact CB-CG2 4.25Å; K174-Y226 PolarHBondContact O-OH 3.43Å
175P96.3Very high96.4Very high49 Ų4938.3 Ų38.332%0.31821%0.21SC..SBendcis-62.7173-7.430.9-38.1000112.9G173 Y226 R227G173-P175 CarbonylContact C-O 3.54Å; P175-Y226 HydrophobicContact CG-CE2 4.43Å; P175-Y226 VanDerWaalsContact O-CE2 3.3Å; P175-Y226 WeakPolarHBondContact O-CE2 3.12Å; P175-R227 HydrophobicContact CG-CG 4.3Å
176P96.8Very high96.2Very high63 Ų6348.1 Ų48.141%0.40925%0.252SS..PPolyproline II helixtrans-56143.7172.9-20.531000112V201 V203P176-V201 HydrophobicContact CB-CB 4.19Å; P176-V201 HydrophobicContact CB-CG1 4.17Å; P176-V201 HydrophobicContact CG-CB 3.88Å; P176-V201 HydrophobicContact CG-CG1 4.13Å; P176-V201 HydrophobicContact CG-CG2 3.88Å; P176-V203 HydrophobicContact CB-CG2 4.34Å
177S97.3Very high95.9Very high2 Ų249.5 Ų49.51%0.01427%0.266CS..PPolyproline II helixtrans-94145.3172.460.10000111.2S170 T225S170-S177 VanDerWaalsContact CB-OG 3.24Å; S170-S177 WeakPolarHBondContact CB-OG 3.42Å; S170-S177 PolarHBondContact OG-OG 2.97Å; S177-T225 WeakPolarHBondContact CA-O 3.31Å
178T97.1Very high95.8Very high82 Ų8255.8 Ų55.850%0.50330%0.295SS..EExtended strand (participates in β ladder)trans-87139.7173.759.80000111.1V224 T225T178-V224 CarbonylContact O-C 3.51Å; T178-V224 WeakPolarHBondContact O-CA 3.44Å; T178-T225 PolarHBondContact N-O 2.81Å; T178-T225 PolarHBondContact O-N 3.25Å
179I97.7Very high95.7Very high21 Ų2158.5 Ų58.511%0.10832%0.318CS..EExtended strand (participates in β ladder)trans-108.9132.4175-56.9-172.4000109.3C168 V203 C222 V224C168-I179 HydrophobicContact CB-CG2 4.4Å; I179-V203 HydrophobicContact CD1-CB 4.2Å; I179-V203 HydrophobicContact CD1-CG1 3.82Å; I179-V203 WeakPolarHBondContact CD1-O 3.43Å; I179-V203 HydrophobicContact CG1-CB 4.49Å; I179-V203 HydrophobicContact CG1-CG1 3.93Å; I179-C222 VanDerWaalsContact CG2-SG 3.57Å; I179-V224 HydrophobicContact CG1-CG2 4.24Å
180K96.6Very high95.6Very high142 Ų14261.7 Ų61.762%0.61734%0.337SS*.EExtended strand (participates in β ladder)trans-130.4150.7169.4-67-171176.7-173.40110.2I223K180-I223 PolarHBondContact N-O 3.24Å; K180-I223 PolarHBondContact O-N 3.5Å
181W96.7Very high95.5Very high41 Ų4166.6 Ų66.616%0.15536%0.363CS..EExtended strand (participates in β ladder)trans-103.4146.4174.2-63.989.1000110.7M147 A166 C168 A189 S205 Y207 L220 T221 C222M147-W181 HydrophobicContact CE-CE3 4.45Å; M147-W181 HydrophobicContact CE-CH2 4.21Å; M147-W181 HydrophobicContact CE-CZ3 3.6Å; M147-W181 HydrophobicContact SD-CH2 3.67Å; M147-W181 HydrophobicContact SD-CZ3 3.65Å; A166-W181 HydrophobicContact CB-CH2 4.08Å; A166-W181 HydrophobicContact CB-CZ3 4.28Å; C168-W181 HydrophobicContact CB-CH2 3.74Å; C168-W181 HydrophobicContact CB-CZ2 3.73Å; W181-A189 VanDerWaalsContact CD1-CB 3.43Å; W181-A189 HydrophobicContact CG-CB 4.43Å; W181-S205 PolarHBondContact NE1-OG 2.84Å; W181-Y207 HydrophobicContact CB-CD2 4.04Å; W181-Y207 HydrophobicContact CB-CE2 4Å; W181-Y207 AromaticContact CD1-CD2 3.9Å; W181-Y207 AromaticContact CD2-CD2 3.71Å; W181-Y207 HydrophobicContact CD2-CD2 3.71Å; W181-Y207 HydrophobicContact CD2-CG 4.27Å; W181-Y207 HydrophobicContact CE3-CD2 4.23Å; W181-Y207 HydrophobicContact CE3-CG 4.43Å; W181-Y207 AromaticContact CG-CD2 3.61Å; W181-Y207 HydrophobicContact CG-CD2 3.61Å; W181-Y207 HydrophobicContact CG-CE2 4.07Å; W181-L220 HydrophobicContact CD2-CD1 4.38Å; W181-L220 HydrophobicContact CE3-CD1 3.51Å; W181-L220 HydrophobicContact CE3-CD2 4.21Å; W181-L220 HydrophobicContact CE3-CG 3.71Å; W181-L220 HydrophobicContact CZ3-CD1 3.99Å; W181-L220 HydrophobicContact CZ3-CD2 3.83Å; W181-L220 HydrophobicContact CZ3-CG 3.66Å; W181-T221 CarbonylContact C-O 3.52Å; W181-T221 WeakPolarHBondContact CA-O 3.05Å; W181-C222 HydrophobicContact CE3-CB 4.29Å; W181-C222 HydrophobicContact CZ3-CB 4.16Å
182S96.3Very high95.5Very high65 Ų6571.7 Ų71.746%0.45539%0.386SS..EExtended strand (participates in β ladder)trans-130.1114.3171.9178.60000108.9T221S182-T221 PolarHBondContact N-O 2.85Å; S182-T221 WeakPolarHBondContact O-CB 3.33Å; S182-T221 PolarHBondContact O-N 2.82Å
183T94.5Very high95.5Very high39 Ų3973.4 Ų73.424%0.23939%0.391CS..  trans-165.2163.1-177.3-171.60000110.2L185 Y207 K219 L220T183-L185 HydrophobicContact CG2-CB 3.88Å; T183-L185 WeakPolarHBondContact OG1-CD1 3.31Å; T183-L185 WeakPolarHBondContact OG1-CG 3.37Å; T183-L185 PolarHBondContact OG1-N 3.03Å; T183-Y207 HydrophobicContact CG2-CE1 4.16Å; T183-Y207 HydrophobicContact CG2-CE2 4.32Å; T183-Y207 WeakPolarHBondContact CG2-OH 3.47Å; T183-K219 PolarHBondContact OG1-O 2.96Å; T183-L220 HydrophobicContact CG2-CD1 3.67Å
184L92.7Very high95.5Very high155 Ų15576.5 Ų76.581%0.81241%0.41SS*.SBendtrans-91.4-4.5170-59175.9000112.3
185L93.2Very high95.5Very high15 Ų1584.3 Ų84.38%0.07944%0.439CS..  trans-68.7133-179.7-67167.9000111.2T183 G187 Y207 T215 Q218 L220 L237T183-L185 HydrophobicContact CG2-CB 3.88Å; T183-L185 WeakPolarHBondContact OG1-CD1 3.31Å; T183-L185 WeakPolarHBondContact OG1-CG 3.37Å; T183-L185 PolarHBondContact OG1-N 3.03Å; L185-G187 PolarHBondContact O-N 2.96Å; L185-G187 VanDerWaalsContact O-N 3.15Å; L185-Y207 HydrophobicContact CB-CE1 4.12Å; L185-Y207 PolarHBondContact O-OH 2.93Å; L185-T215 HydrophobicContact CD2-CG2 3.63Å; L185-Q218 HydrophobicContact CD1-CB 4.23Å; L185-Q218 HydrophobicContact CD2-CB 3.74Å; L185-Q218 HydrophobicContact CD2-CG 3.83Å; L185-Q218 HydrophobicContact CG-CB 4.02Å; L185-L220 HydrophobicContact CD1-CB 4.44Å; L185-L237 HydrophobicContact CD1-CD1 3.53Å; L185-L237 HydrophobicContact CD1-CG 4.44Å
186K90.3Very high95.5Very high207 Ų20783.5 Ų83.590%0.943%0.431SS*.  trans-81.587.8170.2-65.1-178-179.3-178.70109.1
187G91.6Very high95.4Very high28 Ų2887.5 Ų87.529%0.28946%0.458SS..  trans-144.2176.1178.300000112.3L185 Y207 V208L185-G187 PolarHBondContact O-N 2.96Å; L185-G187 VanDerWaalsContact O-N 3.15Å; G187-Y207 PolarHBondContact N-OH 2.68Å; G187-Y207 PolarHBondContact O-OH 2.99Å; G187-V208 CarbonylContact C-O 3.52Å; G187-V208 VanDerWaalsContact CA-O 3.22Å; G187-V208 WeakPolarHBondContact CA-O 3.43Å
188E94.8Very high95.1Very high139 Ų13991.5 Ų91.565%0.6548%0.479SS*.EExtended strand (participates in β ladder)trans-113.1142.3-177.9-69.2175.3-177.300110.5V208E188-V208 PolarHBondContact N-O 2.98Å; E188-V208 PolarHBondContact O-N 3.03Å
189A95.8Very high94.8Very high57 Ų5789 Ų8947%0.47147%0.47SS..EExtended strand (participates in β ladder)trans-104.7120.2175.300000109.8W181 Y207W181-A189 VanDerWaalsContact CD1-CB 3.43Å; W181-A189 HydrophobicContact CG-CB 4.43Å; A189-Y207 HydrophobicContact CB-CD2 4.08Å; A189-Y207 HydrophobicContact CB-CE2 4.36Å
190T95.7Very high94.7Very high71 Ų7188.1 Ų88.144%0.43647%0.465SS..EExtended strand (participates in β ladder)trans-82.1149.9167.265.60000109.7S205 S206 V208T190-S205 CarbonylContact O-C 3.5Å; T190-S205 WeakPolarHBondContact O-CA 3.38Å; T190-S205 VanDerWaalsContact O-CB 3.31Å; T190-S205 WeakPolarHBondContact O-CB 3.48Å; T190-S205 PolarHBondContact O-OG 3.12Å; T190-S206 PolarHBondContact N-O 2.92Å; T190-S206 PolarHBondContact O-N 2.87Å; T190-S206 VanDerWaalsContact O-N 3.11Å; T190-S206 WeakPolarHBondContact OG1-CB 2.98Å; T190-S206 PolarHBondContact OG1-N 3.43Å; T190-S206 PolarHBondContact OG1-O 2.87Å; T190-V208 HydrophobicContact CG2-CG2 4.25Å
191L96.4Very high94.8Very high104 Ų10481.9 Ų81.955%0.54544%0.438SS..EExtended strand (participates in β ladder)trans-129.2132.9174.8-170.171.5000109V203L191-V203 HydrophobicContact CD1-CG1 3.61Å; L191-V203 HydrophobicContact CG-CG1 4.46Å
192Q96.6Very high94.8Very high114 Ų11481 Ų8153%0.53344%0.438SS..EExtended strand (participates in β ladder)trans-134.5124.3176.1-174.4-179.621.800108.5R204Q192-R204 PolarHBondContact N-O 3.34Å; Q192-R204 PolarHBondContact O-N 3.4Å
193E96.4Very high94.9Very high116 Ų11678 Ų7854%0.54242%0.416SS..EExtended strand (participates in β ladder)trans-104.7142.8172.6-58.3-162.617100109.9V201 V203E193-V201 HydrophobicContact CB-CG1 4.38Å; E193-V203 HydrophobicContact CG-CG1 4.29Å; E193-V203 HydrophobicContact CG-CG2 4.14Å
194T97.1Very high95Very high64 Ų6481.5 Ų81.539%0.39343%0.425SS..EExtended strand (participates in β ladder)trans-136.3115.9178.9-570000108.6V201 T202T194-V201 WeakPolarHBondContact O-CA 3.31Å; T194-T202 PolarHBondContact N-O 2.65Å; T194-T202 PolarHBondContact O-N 3.01Å
195R96.9Very high95.3Very high197 Ų19774.3 Ų74.374%0.74339%0.388SS*.EExtended strand (participates in β ladder)trans-80.8122.6175.1-179.4177.5-73.5-103.22.5109.1V201R195-V201 HydrophobicContact CB-CG2 4.45Å
196N95.9Very high95.5Very high31 Ų3174.3 Ų74.317%0.16639%0.39CS..  trans-84.3154.3179.5-57.9-42.2000110.4N172 N198 G199 T200 T202N172-N196 PolarHBondContact OD1-ND2 2.92Å; N172-N196 VanDerWaalsContact OD1-ND2 3.13Å; N196-N198 WeakPolarHBondContact CB-OD1 3.22Å; N196-N198 PolarHBondContact O-N 2.84Å; N196-N198 VanDerWaalsContact O-N 3.14Å; N196-G199 PolarHBondContact O-N 2.83Å; N196-T200 WeakPolarHBondContact CB-O 3.43Å; N196-T200 PolarHBondContact N-O 2.88Å; N196-T200 PolarHBondContact ND2-OG1 2.85Å; N196-T202 PolarHBondContact ND2-OG1 2.8Å
197P93.3Very high95.8Very high148 Ų14865.2 Ų65.296%0.96135%0.35SS*.THydrogen-bonded Turntrans-58.6-27.3179.4-26.535.4000114.6G199P197-G199 PolarHBondContact O-N 2.78Å
198N91.9Very high96Very high86 Ų8665 Ų6546%0.4634%0.342SS..THydrogen-bonded Turntrans-80.411.5177.368.23.6000114.3L113 N196 T200L113-N198 HydrophobicContact CD1-CB 4.25Å; N196-N198 WeakPolarHBondContact CB-OD1 3.22Å; N196-N198 PolarHBondContact O-N 2.84Å; N196-N198 VanDerWaalsContact O-N 3.14Å; N198-T200 PolarHBondContact O-N 2.03Å; N198-T200 WeakPolarHBondContact OD1-CB 3.12Å; N198-T200 PolarHBondContact OD1-N 3Å; N198-T200 VanDerWaalsContact OD1-N 3.11Å; N198-T200 PolarHBondContact OD1-OG1 2.87Å
199G90.5Very high96Very high30 Ų3058.6 Ų58.631%0.30931%0.313SS..SBendtrans78.4-3.6179.100000115.6N196 P197N196-G199 PolarHBondContact O-N 2.83Å; P197-G199 PolarHBondContact O-N 2.78Å
200T96.3Very high95.9Very high2 Ų258.3 Ų58.31%0.01231%0.305CS..  trans-78.6164.9169.767.80000111.4L113 A141 K174 N196 N198L113-T200 HydrophobicContact CD1-CG2 3.63Å; L113-T200 HydrophobicContact CD2-CG2 4.26Å; A141-T200 HydrophobicContact CB-CG2 4.08Å; K174-T200 HydrophobicContact CB-CG2 4.25Å; N196-T200 WeakPolarHBondContact CB-O 3.43Å; N196-T200 PolarHBondContact N-O 2.88Å; N196-T200 PolarHBondContact ND2-OG1 2.85Å; N198-T200 PolarHBondContact O-N 2.03Å; N198-T200 WeakPolarHBondContact OD1-CB 3.12Å; N198-T200 PolarHBondContact OD1-N 3Å; N198-T200 VanDerWaalsContact OD1-N 3.11Å; N198-T200 PolarHBondContact OD1-OG1 2.87Å
201V97.4Very high95.8Very high10 Ų1055.6 Ų55.66%0.06129%0.289CS..EExtended strand (participates in β ladder)trans-125.6132.8176.8178.90000109.8G173 P176 E193 T194 R195 V203G173-V201 PolarHBondContact N-O 3.38Å; G173-V201 PolarHBondContact O-N 2.92Å; P176-V201 HydrophobicContact CB-CB 4.19Å; P176-V201 HydrophobicContact CB-CG1 4.17Å; P176-V201 HydrophobicContact CG-CB 3.88Å; P176-V201 HydrophobicContact CG-CG1 4.13Å; P176-V201 HydrophobicContact CG-CG2 3.88Å; E193-V201 HydrophobicContact CB-CG1 4.38Å; T194-V201 WeakPolarHBondContact O-CA 3.31Å; R195-V201 HydrophobicContact CB-CG2 4.45Å; V201-V203 HydrophobicContact CG1-CG2 4.1Å
202T97.8Very high95.6Very high23 Ų2352.3 Ų52.314%0.14128%0.275CS..EExtended strand (participates in β ladder)trans-99.8122.8169.8-68.30000108.5T169 S170 A171 N172 T194 N196T169-T202 HydrophobicContact CG2-CG2 3.93Å; S170-T202 WeakPolarHBondContact O-CA 3.37Å; A171-T202 HydrophobicContact CB-CG2 4.19Å; N172-T202 PolarHBondContact N-OG1 2.89Å; N172-T202 VanDerWaalsContact N-OG1 3.13Å; N172-T202 PolarHBondContact OD1-OG1 3.24Å; T194-T202 PolarHBondContact N-O 2.65Å; T194-T202 PolarHBondContact O-N 3.01Å; N196-T202 PolarHBondContact ND2-OG1 2.8Å
203V97.8Very high95.4Very high1 Ų151.1 Ų51.11%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-107.1124.7176.4-175.80000108.2S170 P176 I179 L191 E193 V201S170-V203 PolarHBondContact N-O 2.82Å; S170-V203 PolarHBondContact O-N 3.37Å; P176-V203 HydrophobicContact CB-CG2 4.34Å; I179-V203 HydrophobicContact CD1-CB 4.2Å; I179-V203 HydrophobicContact CD1-CG1 3.82Å; I179-V203 WeakPolarHBondContact CD1-O 3.43Å; I179-V203 HydrophobicContact CG1-CB 4.49Å; I179-V203 HydrophobicContact CG1-CG1 3.93Å; L191-V203 HydrophobicContact CD1-CG1 3.61Å; L191-V203 HydrophobicContact CG-CG1 4.46Å; E193-V203 HydrophobicContact CG-CG1 4.29Å; E193-V203 HydrophobicContact CG-CG2 4.14Å; V201-V203 HydrophobicContact CG1-CG2 4.1Å
204R97.5Very high95.2Very high113 Ų11351.3 Ų51.343%0.42627%0.266SS..EExtended strand (participates in β ladder)trans-120.2128.1178.6-176.4-178.1179.71656.3108.7T167 Q192T167-R204 HydrophobicContact CG2-CG 3.7Å; T167-R204 VanDerWaalsContact CG2-NE 3.27Å; Q192-R204 PolarHBondContact N-O 3.34Å; Q192-R204 PolarHBondContact O-N 3.4Å
205S97.8Very high95.1Very high4 Ų448.7 Ų48.73%0.02825%0.25CS..EExtended strand (participates in β ladder)trans-121.6139.1171.1-174.10000110.1T167 C168 W181 T190T167-S205 CarbonylContact C-O 3.55Å; T167-S205 WeakPolarHBondContact CA-O 3.34Å; C168-S205 PolarHBondContact N-O 3.43Å; C168-S205 PolarHBondContact O-N 2.9Å; W181-S205 PolarHBondContact NE1-OG 2.84Å; T190-S205 CarbonylContact O-C 3.5Å; T190-S205 WeakPolarHBondContact O-CA 3.38Å; T190-S205 VanDerWaalsContact O-CB 3.31Å; T190-S205 WeakPolarHBondContact O-CB 3.48Å; T190-S205 PolarHBondContact O-OG 3.12Å
206S97.1Very high95Very high16 Ų1640.7 Ų40.711%0.11222%0.221CC..EExtended strand (participates in β ladder)trans-124.1129.5179.6-41.40000109.8A166 T190A166-S206 WeakPolarHBondContact O-CA 3.42Å; T190-S206 PolarHBondContact N-O 2.92Å; T190-S206 PolarHBondContact O-N 2.87Å; T190-S206 VanDerWaalsContact O-N 3.11Å; T190-S206 WeakPolarHBondContact OG1-CB 2.98Å; T190-S206 PolarHBondContact OG1-N 3.43Å; T190-S206 PolarHBondContact OG1-O 2.87Å
207Y97.1Very high94.9Very high15 Ų1546.6 Ų46.66%0.05925%0.246CC..EExtended strand (participates in β ladder)trans-93.8123.6-178.3-155.5-98.2000110.2T164 V165 A166 W181 T183 L185 G187 A189 L220T164-Y207 WeakPolarHBondContact CA-O 3.03Å; V165-Y207 HydrophobicContact CG2-CD1 4.27Å; V165-Y207 PolarHBondContact N-O 3.45Å; A166-Y207 PolarHBondContact O-N 2.82Å; W181-Y207 HydrophobicContact CB-CD2 4.04Å; W181-Y207 HydrophobicContact CB-CE2 4Å; W181-Y207 AromaticContact CD1-CD2 3.9Å; W181-Y207 AromaticContact CD2-CD2 3.71Å; W181-Y207 HydrophobicContact CD2-CD2 3.71Å; W181-Y207 HydrophobicContact CD2-CG 4.27Å; W181-Y207 HydrophobicContact CE3-CD2 4.23Å; W181-Y207 HydrophobicContact CE3-CG 4.43Å; W181-Y207 AromaticContact CG-CD2 3.61Å; W181-Y207 HydrophobicContact CG-CD2 3.61Å; W181-Y207 HydrophobicContact CG-CE2 4.07Å; T183-Y207 HydrophobicContact CG2-CE1 4.16Å; T183-Y207 HydrophobicContact CG2-CE2 4.32Å; T183-Y207 WeakPolarHBondContact CG2-OH 3.47Å; L185-Y207 HydrophobicContact CB-CE1 4.12Å; L185-Y207 PolarHBondContact O-OH 2.93Å; G187-Y207 PolarHBondContact N-OH 2.68Å; G187-Y207 PolarHBondContact O-OH 2.99Å; A189-Y207 HydrophobicContact CB-CD2 4.08Å; A189-Y207 HydrophobicContact CB-CE2 4.36Å; Y207-L220 HydrophobicContact CD1-CD1 3.85Å; Y207-L220 HydrophobicContact CD1-CD2 3.92Å; Y207-L220 HydrophobicContact CD2-CD1 4.21Å; Y207-L220 HydrophobicContact CE1-CD1 4.08Å; Y207-L220 HydrophobicContact CE2-CD1 4.44Å; Y207-L220 HydrophobicContact CG-CD1 3.92Å; Y207-L220 HydrophobicContact CG-CD2 4.05Å
208V95.6Very high95Very high23 Ų2342.7 Ų42.714%0.13921%0.214CC..EExtended strand (participates in β ladder)trans-115.4128.7-173.4-176.70000109.1N162 M163 G187 E188 T190N162-V208 HydrophobicContact CB-CG1 3.74Å; M163-V208 WeakPolarHBondContact O-CA 3.47Å; G187-V208 CarbonylContact C-O 3.52Å; G187-V208 VanDerWaalsContact CA-O 3.22Å; G187-V208 WeakPolarHBondContact CA-O 3.43Å; E188-V208 PolarHBondContact N-O 2.98Å; E188-V208 PolarHBondContact O-N 3.03Å; T190-V208 HydrophobicContact CG2-CG2 4.25Å
209V94.8Very high95.2Very high6 Ų644.3 Ų44.34%0.03622%0.217CC..EExtended strand (participates in β ladder)trans-146.2159.5179.165.40000109.5M163 V165 P211 T215M163-V209 PolarHBondContact N-O 3.07Å; M163-V209 PolarHBondContact O-N 3.3Å; M163-V209 VanDerWaalsContact O-O 3.12Å; V165-V209 HydrophobicContact CB-CG1 4.34Å; V165-V209 HydrophobicContact CG1-CG1 3.54Å; V165-V209 HydrophobicContact CG2-CG1 3.82Å; V209-P211 WeakPolarHBondContact O-CD 3.34Å; V209-T215 HydrophobicContact CG2-CG2 4.21Å
210V94.2Very high95.4Very high50 Ų5042.9 Ų42.930%0.30320%0.203SC..  trans-82.5114.6164.2-178.80000107.5K160 N162 S212K160-V210 HydrophobicContact CB-CG1 3.89Å; K160-V210 HydrophobicContact CG-CG1 4.22Å; N162-V210 WeakPolarHBondContact OD1-CG2 3.38Å; V210-S212 PolarHBondContact O-N 3.37Å
211P93.9Very high95.5Very high15 Ų1543.8 Ų43.810%0.09721%0.208CC..  trans-67.1132.5-179.9-18.132.2000111I154 A156 M163 V209 V239I154-P211 HydrophobicContact CG2-CB 3.65Å; I154-P211 HydrophobicContact CG2-CG 3.54Å; A156-P211 HydrophobicContact CB-CB 4.17Å; A156-P211 VanDerWaalsContact CB-O 3.31Å; A156-P211 WeakPolarHBondContact CB-O 3.43Å; M163-P211 HydrophobicContact CB-CG 4.15Å; M163-P211 HydrophobicContact SD-CG 4.38Å; V209-P211 WeakPolarHBondContact O-CD 3.34Å; P211-V239 HydrophobicContact CB-CG1 3.84Å
212S92.9Very high95.5Very high35 Ų3543.3 Ų43.325%0.24521%0.205CC..  trans-146.8174.6178.274.60000111.6V210 E214 T215V210-S212 PolarHBondContact O-N 3.37Å; S212-E214 VanDerWaalsContact C-N 3.27Å; S212-E214 WeakPolarHBondContact CB-OE2 3.32Å; S212-E214 PolarHBondContact O-N 2.85Å; S212-E214 PolarHBondContact OG-N 3.33Å; S212-E214 PolarHBondContact OG-OE2 2.81Å; S212-T215 PolarHBondContact N-OG1 2.85Å; S212-T215 PolarHBondContact O-N 2.65Å; S212-T215 PolarHBondContact O-OG1 3.33Å
213R91.9Very high95.5Very high88 Ų8843.1 Ų43.133%0.33220%0.203SC..G310 helixtrans-54.3-42.5175.4173.7172.4170.8-102-14.7112.1T215 H216 Y241 E244 D268R213-T215 PolarHBondContact O-N 2.97Å; R213-H216 VanDerWaalsContact O-CB 3.28Å; R213-H216 WeakPolarHBondContact O-CB 3.33Å; R213-H216 PolarHBondContact O-N 2.82Å; R213-H216 VanDerWaalsContact O-N 3.11Å; R213-Y241 HydrophobicContact CB-CD1 4.41Å; R213-Y241 HydrophobicContact CB-CD2 4Å; R213-Y241 HydrophobicContact CB-CE1 4.45Å; R213-Y241 HydrophobicContact CB-CE2 4.04Å; R213-Y241 HydrophobicContact CB-CG 4.21Å; R213-Y241 HydrophobicContact CG-CD2 4.16Å; R213-Y241 HydrophobicContact CG-CE1 4.31Å; R213-Y241 HydrophobicContact CG-CE2 3.67Å; R213-E244 WeakPolarHBondContact CD-OE2 3.34Å; R213-E244 IonicContact CZ-OE2 3.55Å; R213-E244 IonicContact NE-OE2 2.7Å; R213-E244 IonicContact NH1-OE1 2.99Å; R213-E244 IonicContact NH1-OE2 3.38Å; R213-E244 PolarHBondContact NH1-OE2 2.87Å; R213-D268 IonicContact CZ-OD2 2.98Å; R213-D268 IonicContact NE-OD2 2.82Å; R213-D268 PolarHBondContact NE-OD2 3.13Å; R213-D268 IonicContact NH2-OD2 3.47Å; R213-D268 PolarHBondContact NH2-OD2 2.86Å
214E92.2Very high95.5Very high120 Ų12043.1 Ų43.156%0.56120%0.203SC*.G310 helixtrans-69.3-15.6-179.6-51.271.8-152.500113.2S212 Q218S212-E214 VanDerWaalsContact C-N 3.27Å; S212-E214 WeakPolarHBondContact CB-OE2 3.32Å; S212-E214 PolarHBondContact O-N 2.85Å; S212-E214 PolarHBondContact OG-N 3.33Å; S212-E214 PolarHBondContact OG-OE2 2.81Å; E214-Q218 WeakPolarHBondContact O-CG 3.42Å; E214-Q218 PolarHBondContact O-NE2 3.11Å
215T93.7Very high95.5Very high10 Ų1039.3 Ų39.36%0.06119%0.193CC..G310 helixtrans-89-12.7174.767.90000113.4L185 V209 S212 R213 Q218 V239L185-T215 HydrophobicContact CD2-CG2 3.63Å; V209-T215 HydrophobicContact CG2-CG2 4.21Å; S212-T215 PolarHBondContact N-OG1 2.85Å; S212-T215 PolarHBondContact O-N 2.65Å; S212-T215 PolarHBondContact O-OG1 3.33Å; R213-T215 PolarHBondContact O-N 2.97Å; T215-Q218 PolarHBondContact O-N 2.81Å; T215-V239 WeakPolarHBondContact OG1-CG2 3.48Å
216H95.2Very high95.4Very high29 Ų2939.3 Ų39.313%0.13419%0.192CC..THydrogen-bonded Turntrans-66.8140.4175.3179.477000111.3R213 Q218 V239 Y241 N270R213-H216 VanDerWaalsContact O-CB 3.28Å; R213-H216 WeakPolarHBondContact O-CB 3.33Å; R213-H216 PolarHBondContact O-N 2.82Å; R213-H216 VanDerWaalsContact O-N 3.11Å; H216-Q218 PolarHBondContact O-N 3.48Å; H216-V239 HydrophobicContact CB-CB 4.15Å; H216-V239 PolarHBondContact ND1-N 3.43Å; H216-V239 PolarHBondContact ND1-O 3.17Å; H216-Y241 HydrophobicContact CB-CD1 4.44Å; H216-Y241 HydrophobicContact CB-CE1 3.81Å; H216-Y241 AromaticContact CG-CE1 3.89Å; H216-N270 PolarHBondContact CE1-ND2 2.84Å; H216-N270 PolarHBondContact ND1-ND2 2.84Å
217K94.9Very high95.3Very high155 Ų15545.3 Ų45.367%0.67421%0.212SC*.THydrogen-bonded Turntrans59.36.5-176.2-73.2163.1-179.3164.40115.4V236 L237K217-V236 WeakPolarHBondContact O-CG1 3.31Å; K217-L237 PolarHBondContact N-O 3.22Å
218Q95.4Very high95.2Very high65 Ų6547.6 Ų47.630%0.30424%0.24SC..  trans-73.7138.8176.7-64.5-7142.100111.6L185 E214 T215 H216 L237L185-Q218 HydrophobicContact CD1-CB 4.23Å; L185-Q218 HydrophobicContact CD2-CB 3.74Å; L185-Q218 HydrophobicContact CD2-CG 3.83Å; L185-Q218 HydrophobicContact CG-CB 4.02Å; E214-Q218 WeakPolarHBondContact O-CG 3.42Å; E214-Q218 PolarHBondContact O-NE2 3.11Å; T215-Q218 PolarHBondContact O-N 2.81Å; H216-Q218 PolarHBondContact O-N 3.48Å; Q218-L237 PolarHBondContact O-N 2.81Å
219K95.2Very high95.1Very high120 Ų12050.6 Ų50.652%0.52225%0.253SS..EExtended strand (participates in β ladder)trans-83.5133.1176.4-170.9177.9179.6-1790110.6T183 S234T183-K219 PolarHBondContact OG1-O 2.96Å; K219-S234 WeakPolarHBondContact CE-OG 3.26Å
220L95.7Very high95.2Very high0 Ų058 Ų580%028%0.28CS..EExtended strand (participates in β ladder)trans-124115.8175.8179.261.6000108.7V165 A166 W181 T183 L185 Y207 S234 V235V165-L220 HydrophobicContact CG2-CD2 4.07Å; A166-L220 HydrophobicContact CB-CD2 3.62Å; W181-L220 HydrophobicContact CD2-CD1 4.38Å; W181-L220 HydrophobicContact CE3-CD1 3.51Å; W181-L220 HydrophobicContact CE3-CD2 4.21Å; W181-L220 HydrophobicContact CE3-CG 3.71Å; W181-L220 HydrophobicContact CZ3-CD1 3.99Å; W181-L220 HydrophobicContact CZ3-CD2 3.83Å; W181-L220 HydrophobicContact CZ3-CG 3.66Å; T183-L220 HydrophobicContact CG2-CD1 3.67Å; L185-L220 HydrophobicContact CD1-CB 4.44Å; Y207-L220 HydrophobicContact CD1-CD1 3.85Å; Y207-L220 HydrophobicContact CD1-CD2 3.92Å; Y207-L220 HydrophobicContact CD2-CD1 4.21Å; Y207-L220 HydrophobicContact CE1-CD1 4.08Å; Y207-L220 HydrophobicContact CE2-CD1 4.44Å; Y207-L220 HydrophobicContact CG-CD1 3.92Å; Y207-L220 HydrophobicContact CG-CD2 4.05Å; L220-S234 WeakPolarHBondContact O-CA 3.31Å; L220-V235 HydrophobicContact CB-CG2 4.27Å; L220-V235 PolarHBondContact N-O 2.82Å; L220-V235 PolarHBondContact O-N 2.9Å
221T96.9Very high95.2Very high21 Ų2158.7 Ų58.713%0.12928%0.281CS..EExtended strand (participates in β ladder)trans-111.8127.8-175.4-500000110.2W181 S182 I223 D233 S234W181-T221 CarbonylContact C-O 3.52Å; W181-T221 WeakPolarHBondContact CA-O 3.05Å; S182-T221 PolarHBondContact N-O 2.85Å; S182-T221 WeakPolarHBondContact O-CB 3.33Å; S182-T221 PolarHBondContact O-N 2.82Å; T221-I223 HydrophobicContact CG2-CG1 4.28Å; T221-D233 CarbonylContact C-O 3.55Å; T221-D233 WeakPolarHBondContact CA-O 3.31Å; T221-S234 WeakPolarHBondContact CG2-OG 3.38Å; T221-S234 PolarHBondContact OG1-OG 2.85Å
222C97.3Very high95.3Very high0 Ų062.2 Ų62.20%030%0.303CS..EExtended strand (participates in β ladder)trans-91.6138.1165.9178.30000109.2M147 C168 I179 W181 T232 D233M147-C222 HydrophobicContact CE-CB 3.31Å; M147-C222 VanDerWaalsContact CE-N 3.3Å; M147-C222 HydrophobicContact SD-CB 4.16Å; C168-C222 HydrophobicContact CB-CB 3.57Å; C168-C222 WeakPolarHBondContact CB-SG 3.29Å; C168-C222 WeakPolarHBondContact SG-CB 3.47Å; C168-C222 CovalentContact SG-SG 2.03Å; C168-C222 PolarHBondContact SG-SG 3.44Å; I179-C222 VanDerWaalsContact CG2-SG 3.57Å; W181-C222 HydrophobicContact CE3-CB 4.29Å; W181-C222 HydrophobicContact CZ3-CB 4.16Å; C222-T232 VanDerWaalsContact O-CA 3.31Å; C222-T232 WeakPolarHBondContact O-CA 3.29Å; C222-D233 PolarHBondContact N-O 2.88Å; C222-D233 PolarHBondContact O-N 2.65Å
223I97.4Very high95.4Very high20 Ų2063.4 Ų63.410%0.10331%0.306CS..EExtended strand (participates in β ladder)trans-123.6103.9177.5-55.7174.3000106.7K180 T221 T232K180-I223 PolarHBondContact N-O 3.24Å; K180-I223 PolarHBondContact O-N 3.5Å; T221-I223 HydrophobicContact CG2-CG1 4.28Å; I223-T232 HydrophobicContact CB-CG2 4.44Å; I223-T232 HydrophobicContact CG1-CG2 4.05Å; I223-T232 HydrophobicContact CG2-CG2 4.24Å
224V98Very high95.6Very high0 Ų061.4 Ų61.40%031%0.306CS..EExtended strand (participates in β ladder)trans-92.2124.7172.6-1770000108.1T145 S170 T178 I179 I231T145-V224 HydrophobicContact CG2-CB 4.31Å; T145-V224 HydrophobicContact CG2-CG2 3.55Å; S170-V224 WeakPolarHBondContact OG-CG1 3.24Å; T178-V224 CarbonylContact O-C 3.51Å; T178-V224 WeakPolarHBondContact O-CA 3.44Å; I179-V224 HydrophobicContact CG1-CG2 4.24Å; V224-I231 HydrophobicContact CB-CB 4.42Å; V224-I231 PolarHBondContact N-O 2.87Å; V224-I231 PolarHBondContact O-N 2.91Å
225T97.8Very high95.7Very high34 Ų3456.9 Ų56.921%0.20929%0.286CS..EExtended strand (participates in β ladder)trans-112.4121.2175.5-51.20000109.8S177 T178 E229 R230S177-T225 WeakPolarHBondContact CA-O 3.31Å; T178-T225 PolarHBondContact N-O 2.81Å; T178-T225 PolarHBondContact O-N 3.25Å; T225-E229 WeakPolarHBondContact CA-O 3.37Å; T225-R230 HydrophobicContact CG2-CG 4.3Å
226Y97Very high95.8Very high3 Ų360.5 Ų60.51%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-131.8117.6-178.9173.5-95.8000109.7F33 A141 R142 P143 K174 P175 G228 E229F33-Y226 AromaticContact CE1-CE1 3.92Å; F33-Y226 HydrophobicContact CE1-CE1 3.92Å; F33-Y226 WeakPolarHBondContact CE1-OH 3.45Å; A141-Y226 PolarHBondContact O-OH 3.27Å; R142-Y226 HydrophobicContact CG-CE1 4.24Å; P143-Y226 VanDerWaalsContact CD-CD2 3.5Å; P143-Y226 HydrophobicContact CG-CD2 3.85Å; P143-Y226 HydrophobicContact CG-CE2 4.46Å; P143-Y226 HydrophobicContact CG-CG 3.91Å; K174-Y226 PolarHBondContact O-OH 3.43Å; P175-Y226 HydrophobicContact CG-CE2 4.43Å; P175-Y226 VanDerWaalsContact O-CE2 3.3Å; P175-Y226 WeakPolarHBondContact O-CE2 3.12Å; Y226-G228 PolarHBondContact O-N 2.89Å; Y226-E229 PolarHBondContact N-O 2.82Å; Y226-E229 WeakPolarHBondContact O-CB 3.44Å; Y226-E229 PolarHBondContact O-N 3.24Å
227R94.5Very high95.8Very high143 Ų14359.2 Ų59.254%0.5430%0.302SS..THydrogen-bonded Turntrans49.729.7-178-62-171.759.977.36.8115F140 P175F140-R227 VanDerWaalsContact CE2-CZ 3.47Å; P175-R227 HydrophobicContact CG-CG 4.3Å
228G93.7Very high95.8Very high63 Ų6354.8 Ų54.865%0.64929%0.286SS*.THydrogen-bonded Turntrans93.7-21.8-177.700000114.6Y226Y226-G228 PolarHBondContact O-N 2.89Å
229E94.6Very high95.8Very high85 Ų8551.7 Ų51.740%0.39727%0.272SS..EExtended strand (participates in β ladder)trans-68.9139.3170.4-60.6176.4-166.100109.9R142 T225 Y226R142-E229 IonicContact CZ-OE1 2.6Å; R142-E229 IonicContact CZ-OE2 2.67Å; R142-E229 IonicContact NH1-OE1 2.8Å; R142-E229 PolarHBondContact NH1-OE1 2.91Å; R142-E229 IonicContact NH1-OE2 2.91Å; R142-E229 PolarHBondContact NH1-OE2 3.02Å; R142-E229 IonicContact NH2-OE1 2.67Å; R142-E229 PolarHBondContact NH2-OE1 2.78Å; T225-E229 WeakPolarHBondContact CA-O 3.37Å; Y226-E229 PolarHBondContact N-O 2.82Å; Y226-E229 WeakPolarHBondContact O-CB 3.44Å; Y226-E229 PolarHBondContact O-N 3.24Å
230R95.9Very high95.8Very high163 Ų16348 Ų4862%0.61526%0.256SS*.EExtended strand (participates in β ladder)trans-114.6118179.8-67.8171.964.9100.4-8.9109.8T225T225-R230 HydrophobicContact CG2-CG 4.3Å
231I95.3Very high95.8Very high64 Ų6448.8 Ų48.833%0.32826%0.259SS..EExtended strand (participates in β ladder)trans-107.3123.9176.1-58167.3000106.9T145 V224T145-I231 HydrophobicContact CG2-CG2 4.17Å; V224-I231 HydrophobicContact CB-CB 4.42Å; V224-I231 PolarHBondContact N-O 2.87Å; V224-I231 PolarHBondContact O-N 2.91Å
232T96.1Very high95.7Very high88 Ų8850.5 Ų50.554%0.5427%0.266SS..EExtended strand (participates in β ladder)trans-122.6133-176.460.40000111.6C222 I223C222-T232 VanDerWaalsContact O-CA 3.31Å; C222-T232 WeakPolarHBondContact O-CA 3.29Å; I223-T232 HydrophobicContact CB-CG2 4.44Å; I223-T232 HydrophobicContact CG1-CG2 4.05Å; I223-T232 HydrophobicContact CG2-CG2 4.24Å
233D95.3Very high95.6Very high61 Ų6150.7 Ų50.733%0.32627%0.267SS..EExtended strand (participates in β ladder)trans-133145.7177.7-166.7-1.9000109.3M147 T221 C222M147-D233 HydrophobicContact CB-CB 4.08Å; M147-D233 VanDerWaalsContact CB-CG 3.49Å; M147-D233 WeakPolarHBondContact CB-OD2 3.42Å; M147-D233 WeakPolarHBondContact CE-O 3.37Å; M147-D233 PolarHBondContact N-OD2 2.86Å; M147-D233 VanDerWaalsContact N-OD2 3.07Å; T221-D233 CarbonylContact C-O 3.55Å; T221-D233 WeakPolarHBondContact CA-O 3.31Å; C222-D233 PolarHBondContact N-O 2.88Å; C222-D233 PolarHBondContact O-N 2.65Å
234S95.1Very high95.5Very high46 Ų4653.1 Ų53.132%0.32228%0.278SS..EExtended strand (participates in β ladder)trans-138.3135.3-167.4-67.10000112.6K219 L220 T221K219-S234 WeakPolarHBondContact CE-OG 3.26Å; L220-S234 WeakPolarHBondContact O-CA 3.31Å; T221-S234 WeakPolarHBondContact CG2-OG 3.38Å; T221-S234 PolarHBondContact OG1-OG 2.85Å
235V94.8Very high95.4Very high24 Ų2454.1 Ų54.115%0.14528%0.284CS..EExtended strand (participates in β ladder)trans-124.5154.7170.8-710000110.9M147 L149 A166 L220M147-V235 HydrophobicContact CE-CG2 4.29Å; M147-V235 HydrophobicContact CG-CB 4.48Å; M147-V235 HydrophobicContact CG-CG1 3.66Å; M147-V235 HydrophobicContact CG-CG2 4.05Å; M147-V235 HydrophobicContact SD-CG2 4.35Å; L149-V235 HydrophobicContact CD1-CB 4.44Å; L149-V235 HydrophobicContact CD1-CG1 4.5Å; L149-V235 HydrophobicContact CD2-CB 4.01Å; L149-V235 HydrophobicContact CD2-CG1 4.46Å; L149-V235 HydrophobicContact CD2-CG2 3.74Å; L149-V235 HydrophobicContact CG-CB 4.16Å; L149-V235 HydrophobicContact CG-CG1 4.12Å; L149-V235 HydrophobicContact CG-CG2 4.3Å; A166-V235 HydrophobicContact CB-CG2 4.26Å; L220-V235 HydrophobicContact CB-CG2 4.27Å; L220-V235 PolarHBondContact N-O 2.82Å; L220-V235 PolarHBondContact O-N 2.9Å
236V95.3Very high95.3Very high87 Ų8758.1 Ų58.153%0.52730%0.298SS..EExtended strand (participates in β ladder)trans-111.4128.4174.3177.70000108.3K217 N238K217-V236 WeakPolarHBondContact O-CG1 3.31Å; V236-N238 PolarHBondContact O-N 2.99Å
237L95.4Very high95.3Very high1 Ų159.4 Ų59.41%0.00531%0.305CS..  trans-79.3119.7-175-58.9-173.4000112L149 I154 V165 L185 K217 Q218 V239L149-L237 HydrophobicContact CD2-CD2 3.79Å; I154-L237 HydrophobicContact CD1-CD2 4.15Å; V165-L237 HydrophobicContact CB-CD1 4.37Å; V165-L237 HydrophobicContact CB-CD2 4.11Å; V165-L237 HydrophobicContact CG2-CD1 4.06Å; V165-L237 HydrophobicContact CG2-CD2 4.17Å; L185-L237 HydrophobicContact CD1-CD1 3.53Å; L185-L237 HydrophobicContact CD1-CG 4.44Å; K217-L237 PolarHBondContact N-O 3.22Å; Q218-L237 PolarHBondContact O-N 2.81Å; L237-V239 HydrophobicContact CB-CG2 4.03Å; L237-V239 PolarHBondContact O-N 2.94Å
238N95.7Very high95.4Very high63 Ų6357 Ų5734%0.33730%0.3SS..  trans-91.685.9168.6-171.96.2000110.5I154 V236 N270I154-N238 PolarHBondContact N-O 2.85Å; V236-N238 PolarHBondContact O-N 2.99Å; N238-N270 PolarHBondContact OD1-ND2 2.74Å
239V95.2Very high95.3Very high0 Ų056 Ų560%029%0.289CS..EExtended strand (participates in β ladder)trans-92.8122.6177.5-173.30000110.3I154 A156 P211 T215 H216 L237 Y241 N270I154-V239 HydrophobicContact CB-CG2 4.23Å; I154-V239 HydrophobicContact CD1-CG2 4.46Å; I154-V239 HydrophobicContact CG2-CG1 4.49Å; I154-V239 HydrophobicContact CG2-CG2 4.39Å; I154-V239 CarbonylContact O-C 3.52Å; I154-V239 VanDerWaalsContact O-CA 3.27Å; I154-V239 WeakPolarHBondContact O-CA 3.13Å; A156-V239 HydrophobicContact CB-CG1 3.91Å; P211-V239 HydrophobicContact CB-CG1 3.84Å; T215-V239 WeakPolarHBondContact OG1-CG2 3.48Å; H216-V239 HydrophobicContact CB-CB 4.15Å; H216-V239 PolarHBondContact ND1-N 3.43Å; H216-V239 PolarHBondContact ND1-O 3.17Å; L237-V239 HydrophobicContact CB-CG2 4.03Å; L237-V239 PolarHBondContact O-N 2.94Å; V239-Y241 WeakPolarHBondContact O-CD1 3.37Å; V239-N270 PolarHBondContact O-ND2 2.87Å
240Q95.3Very high95.3Very high43 Ų4354.3 Ų54.320%0.20128%0.281CS..EExtended strand (participates in β ladder)trans-92.3138.2173.1-67.9179.1-7.900110.1I154 A156 N270 I318I154-Q240 PolarHBondContact O-N 2.85Å; A156-Q240 WeakPolarHBondContact CB-O 3.41Å; A156-Q240 PolarHBondContact N-O 2.87Å; Q240-N270 CarbonylContact C-O 3.56Å; Q240-N270 WeakPolarHBondContact CA-O 3.4Å; Q240-N270 VanDerWaalsContact CB-O 3.27Å; Q240-N270 WeakPolarHBondContact CB-O 3.36Å; Q240-I318 HydrophobicContact CB-CD1 3.91Å; Q240-I318 HydrophobicContact CB-CG1 4.02Å
241Y94.6Very high95.1Very high16 Ų1650.7 Ų50.76%0.06327%0.274CS..EExtended strand (participates in β ladder)trans-149.9157.1-174.354.1-87.1000111.1R213 H216 V239 D268 N270 N316R213-Y241 HydrophobicContact CB-CD1 4.41Å; R213-Y241 HydrophobicContact CB-CD2 4Å; R213-Y241 HydrophobicContact CB-CE1 4.45Å; R213-Y241 HydrophobicContact CB-CE2 4.04Å; R213-Y241 HydrophobicContact CB-CG 4.21Å; R213-Y241 HydrophobicContact CG-CD2 4.16Å; R213-Y241 HydrophobicContact CG-CE1 4.31Å; R213-Y241 HydrophobicContact CG-CE2 3.67Å; H216-Y241 HydrophobicContact CB-CD1 4.44Å; H216-Y241 HydrophobicContact CB-CE1 3.81Å; H216-Y241 AromaticContact CG-CE1 3.89Å; V239-Y241 WeakPolarHBondContact O-CD1 3.37Å; Y241-D268 PolarHBondContact OH-OD1 3.47Å; Y241-N270 HydrophobicContact CD1-CB 4.01Å; Y241-N270 HydrophobicContact CE1-CB 3.58Å; Y241-N270 PolarHBondContact N-O 3.13Å; Y241-N270 VanDerWaalsContact O-O 3.06Å; Y241-N316 PolarHBondContact O-ND2 3.25Å
242E95Very high94.8Very high57 Ų5748.7 Ų48.727%0.26627%0.269SS..EExtended strand (participates in β ladder)trans-68.2157.6174.462.1-168.8-164.900112.7I318 R321E242-I318 HydrophobicContact CB-CG2 4.42Å; E242-R321 HydrophobicContact CB-CG 4.32Å; E242-R321 VanDerWaalsContact CD-NE 3.32Å; E242-R321 HydrophobicContact CG-CG 4.21Å; E242-R321 IonicContact OE1-CZ 2.7Å; E242-R321 IonicContact OE1-NE 3.52Å; E242-R321 PolarHBondContact OE1-NE 3.5Å; E242-R321 IonicContact OE1-NH2 2.76Å; E242-R321 PolarHBondContact OE1-NH2 2.93Å; E242-R321 IonicContact OE2-CZ 3.63Å; E242-R321 IonicContact OE2-NE 2.69Å; E242-R321 IonicContact OE2-NH1 3.35Å; E242-R321 IonicContact OE2-NH2 3.14Å; E242-R321 PolarHBondContact OE2-NH2 3.27Å
243P96Very high94.6Very high3 Ų345.2 Ų45.22%0.01925%0.247CC..EExtended strand (participates in β ladder)trans-71.4132.7-169.4-1933.3000114.9V245 A267 D268 A269 V273 A314 N316 G319 R321P243-V245 HydrophobicContact CB-CG2 4.26Å; P243-A267 HydrophobicContact CB-CB 4.13Å; P243-D268 CarbonylContact C-O 3.58Å; P243-D268 WeakPolarHBondContact CA-O 3.44Å; P243-A269 HydrophobicContact CB-CB 3.91Å; P243-A269 HydrophobicContact CG-CB 3.99Å; P243-V273 HydrophobicContact CB-CG2 3.95Å; P243-V273 HydrophobicContact CG-CG2 3.88Å; P243-A314 HydrophobicContact CB-CB 4.13Å; P243-A314 HydrophobicContact CG-CB 4.42Å; P243-N316 HydrophobicContact CG-CB 4.05Å; P243-G319 WeakPolarHBondContact CD-O 3.21Å; P243-R321 WeakPolarHBondContact O-CB 3.5Å; P243-R321 WeakPolarHBondContact O-CG 3.3Å
244E94.6Very high94.5Very high71 Ų7142.4 Ų42.433%0.33223%0.232SC..EExtended strand (participates in β ladder)trans-90106.9166.8-170.8-173.9134.400109.4R213 K246 A267 D268R213-E244 WeakPolarHBondContact CD-OE2 3.34Å; R213-E244 IonicContact CZ-OE2 3.55Å; R213-E244 IonicContact NE-OE2 2.7Å; R213-E244 IonicContact NH1-OE1 2.99Å; R213-E244 IonicContact NH1-OE2 3.38Å; R213-E244 PolarHBondContact NH1-OE2 2.87Å; E244-K246 WeakPolarHBondContact OE1-CE 3.19Å; E244-K246 IonicContact OE1-NZ 3.86Å; E244-K246 PolarHBondContact OE1-NZ 2.98Å; E244-A267 WeakPolarHBondContact O-CA 3.42Å; E244-D268 PolarHBondContact N-O 3.21Å; E244-D268 PolarHBondContact O-N 3.27Å
245V96.4Very high94.3Very high21 Ų2143.5 Ų43.513%0.12723%0.229CC..EExtended strand (participates in β ladder)trans-97.2131.6-169.9-1690000112.2P243 C265 R266 A267 C312 A314 R321P243-V245 HydrophobicContact CB-CG2 4.26Å; V245-C265 WeakPolarHBondContact CG1-SG 3.42Å; V245-R266 CarbonylContact C-O 3.53Å; V245-R266 WeakPolarHBondContact CA-O 3.4Å; V245-A267 HydrophobicContact CG2-CB 4.18Å; V245-C312 HydrophobicContact CG1-CB 4.36Å; V245-A314 HydrophobicContact CG2-CB 3.64Å; V245-R321 HydrophobicContact CG2-CB 4Å
246K96.3Very high94.2Very high118 Ų11844.4 Ų44.451%0.51323%0.233SC..EExtended strand (participates in β ladder)trans-133.8141.4174.5-64.7177.5-175.9164.40109.2E244 R266E244-K246 WeakPolarHBondContact OE1-CE 3.19Å; E244-K246 IonicContact OE1-NZ 3.86Å; E244-K246 PolarHBondContact OE1-NZ 2.98Å; K246-R266 PolarHBondContact N-O 2.9Å; K246-R266 PolarHBondContact O-N 2.65Å; K246-R266 VanDerWaalsContact O-O 3.04Å
247I96.6Very high94Very high30 Ų3045.9 Ų45.915%0.15424%0.238CC..EExtended strand (participates in β ladder)trans-108.8123.6176.9-61.9168.3000108.6L263 W278 C312 V325I247-L263 HydrophobicContact CG2-CB 3.95Å; I247-L263 HydrophobicContact CG2-CD2 4.23Å; I247-L263 HydrophobicContact CG2-CG 4.47Å; I247-W278 HydrophobicContact CD1-CH2 4.12Å; I247-W278 HydrophobicContact CD1-CZ3 3.85Å; I247-W278 HydrophobicContact CG1-CH2 4.08Å; I247-W278 HydrophobicContact CG1-CZ3 4.33Å; I247-W278 HydrophobicContact CG2-CH2 3.79Å; I247-W278 HydrophobicContact CG2-CZ3 4.31Å; I247-C312 HydrophobicContact CD1-CB 3.88Å; I247-C312 HydrophobicContact CG1-CB 4.04Å; I247-V325 HydrophobicContact CB-CB 4.2Å; I247-V325 HydrophobicContact CB-CG1 4.09Å; I247-V325 HydrophobicContact CD1-CB 4.31Å; I247-V325 HydrophobicContact CD1-CG1 3.93Å; I247-V325 HydrophobicContact CG2-CB 4.18Å; I247-V325 HydrophobicContact CG2-CG1 3.61Å
248E95.8Very high93.8Very high93 Ų9348.5 Ų48.544%0.43525%0.248SC..EExtended strand (participates in β ladder)trans-103.7160.3177.2-61.7176161.400110.3L263 T264 R266E248-L263 CarbonylContact O-C 3.52Å; E248-L263 WeakPolarHBondContact O-CA 3.21Å; E248-T264 PolarHBondContact N-O 2.6Å; E248-T264 PolarHBondContact O-N 2.75Å; E248-R266 HydrophobicContact CG-CG 3.99Å; E248-R266 WeakPolarHBondContact OE1-CG 3.35Å; E248-R266 IonicContact OE1-NE 3.02Å; E248-R266 VanDerWaalsContact OE2-CG 3.29Å; E248-R266 WeakPolarHBondContact OE2-CG 3.43Å; E248-R266 IonicContact OE2-CZ 2.68Å; E248-R266 IonicContact OE2-NE 3.81Å; E248-R266 PolarHBondContact OE2-NE 2.67Å; E248-R266 IonicContact OE2-NH2 2.76Å; E248-R266 PolarHBondContact OE2-NH2 3.11Å
249G92.9Very high93.5Very high41 Ų4151.4 Ų51.442%0.42326%0.26SS..  trans107.1-19.1170.400000115.7W254 Q262G249-W254 PolarHBondContact O-NE1 3.02Å; G249-Q262 WeakPolarHBondContact CA-O 3.42Å
250F94.1Very high93.2Very high51 Ų5158.3 Ų58.322%0.22430%0.296CS..  trans-81.9116.5163.4-173.5-117.4000109.3W254 L263 V325 D326 V327F250-W254 AromaticContact CD2-CD1 3.75Å; F250-W254 AromaticContact CD2-CD2 3.9Å; F250-W254 HydrophobicContact CD2-CD2 3.9Å; F250-W254 AromaticContact CD2-CE2 3.83Å; F250-W254 AromaticContact CD2-CG 3.86Å; F250-W254 HydrophobicContact CD2-CG 3.86Å; F250-W254 HydrophobicContact CD2-CZ2 4.46Å; F250-W254 AromaticContact CD2-NE1 3.75Å; F250-W254 HydrophobicContact CE2-CB 4.12Å; F250-W254 HydrophobicContact CE2-CD2 4.26Å; F250-W254 AromaticContact CE2-CG 3.87Å; F250-W254 HydrophobicContact CE2-CG 3.87Å; F250-L263 HydrophobicContact CB-CD2 3.84Å; F250-V325 HydrophobicContact CB-CG2 3.93Å; F250-V325 HydrophobicContact CD1-CG2 4.08Å; F250-V325 HydrophobicContact CG-CG2 4.29Å; F250-D326 VanDerWaalsContact CE1-O 3.29Å; F250-D326 WeakPolarHBondContact CE1-O 3.07Å; F250-V327 HydrophobicContact CD2-CB 4.33Å; F250-V327 HydrophobicContact CD2-CG1 4.08Å; F250-V327 HydrophobicContact CD2-CG2 4.01Å; F250-V327 HydrophobicContact CE2-CB 4.3Å; F250-V327 HydrophobicContact CE2-CG1 3.92Å; F250-V327 HydrophobicContact CE2-CG2 4.48Å; F250-V327 HydrophobicContact CG-CG2 4.29Å
251D91.1Very high93.1Very high87 Ų8756.6 Ų56.647%0.46529%0.289SS..  trans-102.512.4-178.6625.4000112.8N253 W254 R258D251-N253 PolarHBondContact O-N 2.8Å; D251-N253 VanDerWaalsContact O-N 3.16Å; D251-N253 WeakPolarHBondContact OD1-CA 3.46Å; D251-N253 PolarHBondContact OD1-N 2.64Å; D251-W254 VanDerWaalsContact OD1-CD1 3.3Å; D251-R258 VanDerWaalsContact CG-NH1 3.25Å; D251-R258 IonicContact OD1-CZ 3.89Å; D251-R258 IonicContact OD1-NH1 2.89Å; D251-R258 PolarHBondContact OD1-NH1 3.27Å; D251-R258 IonicContact OD1-NH2 3.99Å; D251-R258 IonicContact OD2-CZ 3.24Å; D251-R258 VanDerWaalsContact OD2-CZ 3.24Å; D251-R258 IonicContact OD2-NH1 2.8Å; D251-R258 PolarHBondContact OD2-NH1 2.69Å; D251-R258 IonicContact OD2-NH2 2.73Å; D251-R258 PolarHBondContact OD2-NH2 3.01Å
252G90.6Very high93.1Very high21 Ų2159.5 Ų59.522%0.21630%0.303CS..SBendtrans74.2-13.1-172.800000114.6M334G252-M334 WeakPolarHBondContact O-CE 3.28Å
253N90.4Very high93.1Very high16 Ų1656.8 Ų56.89%0.08629%0.29CS..  trans-115.944.6-168.9-173.238.3000112.1D251 Y255 R258 P333 M334D251-N253 PolarHBondContact O-N 2.8Å; D251-N253 VanDerWaalsContact O-N 3.16Å; D251-N253 WeakPolarHBondContact OD1-CA 3.46Å; D251-N253 PolarHBondContact OD1-N 2.64Å; N253-Y255 VanDerWaalsContact O-CD1 3.31Å; N253-Y255 WeakPolarHBondContact O-CD1 3.46Å; N253-R258 PolarHBondContact O-NH1 3.07Å; N253-P333 WeakPolarHBondContact OD1-CA 3.49Å; N253-M334 HydrophobicContact CB-CE 4.09Å; N253-M334 PolarHBondContact OD1-N 2.8Å
254W93.1Very high93.2Very high1 Ų157.2 Ų57.20%0.00429%0.293CS..  trans-80.7123.5171.8-72.625.7000108.4G249 F250 D251 V261 L263 F298 V302 V327 I329 T330G249-W254 PolarHBondContact O-NE1 3.02Å; F250-W254 AromaticContact CD2-CD1 3.75Å; F250-W254 AromaticContact CD2-CD2 3.9Å; F250-W254 HydrophobicContact CD2-CD2 3.9Å; F250-W254 AromaticContact CD2-CE2 3.83Å; F250-W254 AromaticContact CD2-CG 3.86Å; F250-W254 HydrophobicContact CD2-CG 3.86Å; F250-W254 HydrophobicContact CD2-CZ2 4.46Å; F250-W254 AromaticContact CD2-NE1 3.75Å; F250-W254 HydrophobicContact CE2-CB 4.12Å; F250-W254 HydrophobicContact CE2-CD2 4.26Å; F250-W254 AromaticContact CE2-CG 3.87Å; F250-W254 HydrophobicContact CE2-CG 3.87Å; D251-W254 VanDerWaalsContact OD1-CD1 3.3Å; W254-V261 HydrophobicContact CD2-CB 4.22Å; W254-V261 HydrophobicContact CD2-CG1 4.3Å; W254-V261 HydrophobicContact CD2-CG2 4.23Å; W254-V261 HydrophobicContact CE3-CB 4.39Å; W254-V261 HydrophobicContact CE3-CG2 3.91Å; W254-V261 HydrophobicContact CH2-CB 3.87Å; W254-V261 HydrophobicContact CH2-CG2 3.65Å; W254-V261 HydrophobicContact CZ2-CB 3.66Å; W254-V261 HydrophobicContact CZ2-CG1 4.45Å; W254-V261 HydrophobicContact CZ2-CG2 3.98Å; W254-V261 HydrophobicContact CZ3-CB 4.23Å; W254-V261 HydrophobicContact CZ3-CG2 3.61Å; W254-L263 HydrophobicContact CH2-CD2 3.95Å; W254-L263 HydrophobicContact CH2-CG 3.98Å; W254-L263 HydrophobicContact CZ2-CD2 3.86Å; W254-L263 HydrophobicContact CZ2-CG 4.35Å; W254-F298 AromaticContact CH2-CD2 3.83Å; W254-F298 HydrophobicContact CH2-CD2 3.83Å; W254-F298 AromaticContact CH2-CE2 3.62Å; W254-F298 HydrophobicContact CH2-CE2 3.62Å; W254-F298 HydrophobicContact CH2-CG 4.49Å; W254-F298 HydrophobicContact CH2-CZ 4.07Å; W254-F298 HydrophobicContact CZ3-CD1 4.46Å; W254-F298 HydrophobicContact CZ3-CD2 4.15Å; W254-F298 HydrophobicContact CZ3-CE1 4.29Å; W254-F298 HydrophobicContact CZ3-CE2 4.01Å; W254-F298 HydrophobicContact CZ3-CG 4.39Å; W254-F298 HydrophobicContact CZ3-CZ 4.06Å; W254-V302 HydrophobicContact CE3-CG2 4.48Å; W254-V327 HydrophobicContact CD2-CG1 4.15Å; W254-V327 HydrophobicContact CE3-CG1 3.49Å; W254-V327 VanDerWaalsContact CE3-CG1 3.49Å; W254-V327 HydrophobicContact CZ3-CG1 3.82Å; W254-I329 WeakPolarHBondContact O-CA 3.37Å; W254-T330 PolarHBondContact O-N 2.89Å; W254-T330 PolarHBondContact O-OG1 3.43Å
255Y92.4Very high93.3Very high69 Ų6953.9 Ų53.927%0.27128%0.277SS..BIsolated β-bridgetrans-132156.6-176.161.2-92.8000111.4N253 N257 R258 V302 T330 P333N253-Y255 VanDerWaalsContact O-CD1 3.31Å; N253-Y255 WeakPolarHBondContact O-CD1 3.46Å; Y255-N257 PolarHBondContact O-N 3.36Å; Y255-R258 HydrophobicContact CD1-CB 4.36Å; Y255-R258 HydrophobicContact CD2-CB 4.11Å; Y255-R258 HydrophobicContact CE1-CB 4.16Å; Y255-R258 HydrophobicContact CE1-CG 4.11Å; Y255-R258 HydrophobicContact CE2-CB 3.91Å; Y255-R258 HydrophobicContact CG-CB 4.32Å; Y255-R258 WeakPolarHBondContact O-CB 3.45Å; Y255-R258 PolarHBondContact O-N 3.47Å; Y255-V302 WeakPolarHBondContact O-CB 3.27Å; Y255-T330 CarbonylContact C-O 3.59Å; Y255-T330 WeakPolarHBondContact CA-O 2.96Å; Y255-T330 WeakPolarHBondContact CB-OG1 3.18Å; Y255-P333 HydrophobicContact CD1-CB 3.7Å; Y255-P333 HydrophobicContact CE1-CB 3.8Å; Y255-P333 HydrophobicContact CG-CB 4.15Å
256L92.3Very high93.3Very high43 Ų4359 Ų5923%0.22529%0.294CS..THydrogen-bonded Turntrans-52.2137.3-178.6-66.3177.6000112.2R258 V302 Y304 I329 T330 E331L256-R258 PolarHBondContact O-N 2.94Å; L256-V302 WeakPolarHBondContact CA-O 3.34Å; L256-Y304 HydrophobicContact CD1-CE2 3.82Å; L256-Y304 HydrophobicContact CD2-CD1 4.43Å; L256-Y304 HydrophobicContact CD2-CD2 3.99Å; L256-Y304 HydrophobicContact CD2-CE1 4.47Å; L256-Y304 HydrophobicContact CD2-CE2 4.06Å; L256-Y304 HydrophobicContact CD2-CG 4.2Å; L256-Y304 HydrophobicContact CG-CE2 4.43Å; L256-I329 HydrophobicContact CD2-CG2 4.21Å; L256-T330 PolarHBondContact N-O 2.84Å; L256-E331 HydrophobicContact CD1-CG 4.27Å
257N90.4Very high93.3Very high118 Ų11854.3 Ų54.363%0.63128%0.278SS*.THydrogen-bonded Turntrans65.94.3-177-53.1-63.6000116.5Y255 P301 V302Y255-N257 PolarHBondContact O-N 3.36Å; N257-P301 HydrophobicContact CB-CB 4.47Å; N257-V302 PolarHBondContact N-O 3.29Å
258R90.8Very high93.2Very high56 Ų5656.2 Ų56.221%0.21129%0.288CS..  trans-59.6140165.2-172.3177176.8174.1-4.3109.3D251 N253 Y255 L256 V261 P301 V302D251-R258 VanDerWaalsContact CG-NH1 3.25Å; D251-R258 IonicContact OD1-CZ 3.89Å; D251-R258 IonicContact OD1-NH1 2.89Å; D251-R258 PolarHBondContact OD1-NH1 3.27Å; D251-R258 IonicContact OD1-NH2 3.99Å; D251-R258 IonicContact OD2-CZ 3.24Å; D251-R258 VanDerWaalsContact OD2-CZ 3.24Å; D251-R258 IonicContact OD2-NH1 2.8Å; D251-R258 PolarHBondContact OD2-NH1 2.69Å; D251-R258 IonicContact OD2-NH2 2.73Å; D251-R258 PolarHBondContact OD2-NH2 3.01Å; N253-R258 PolarHBondContact O-NH1 3.07Å; Y255-R258 HydrophobicContact CD1-CB 4.36Å; Y255-R258 HydrophobicContact CD2-CB 4.11Å; Y255-R258 HydrophobicContact CE1-CB 4.16Å; Y255-R258 HydrophobicContact CE1-CG 4.11Å; Y255-R258 HydrophobicContact CE2-CB 3.91Å; Y255-R258 HydrophobicContact CG-CB 4.32Å; Y255-R258 WeakPolarHBondContact O-CB 3.45Å; Y255-R258 PolarHBondContact O-N 3.47Å; L256-R258 PolarHBondContact O-N 2.94Å; R258-V261 HydrophobicContact CG-CG1 3.85Å; R258-P301 CarbonylContact O-C 3.59Å; R258-P301 WeakPolarHBondContact O-CA 3.45Å; R258-V302 HydrophobicContact CB-CB 4.29Å; R258-V302 HydrophobicContact CB-CG2 4.12Å; R258-V302 WeakPolarHBondContact O-CG2 3.29Å; R258-V302 PolarHBondContact O-N 2.89Å
259Q90.1Very high93.2Very high125 Ų12552.5 Ų52.558%0.58427%0.273SS*.  trans-116166.4-179.9-63.8-177.15.400111.2V261Q259-V261 VanDerWaalsContact C-N 3.32Å; Q259-V261 PolarHBondContact O-N 3.44Å
260N88.6Confident93.4Very high145 Ų14551.8 Ų51.878%0.77526%0.26SS*.SBendtrans57.838.6173-53-46.3000114
261V92.4Very high93.5Very high7 Ų751.2 Ų51.24%0.04226%0.261CS..  trans-87.6146.4172.7-55.50000111W254 R258 Q259 F298 V302W254-V261 HydrophobicContact CD2-CB 4.22Å; W254-V261 HydrophobicContact CD2-CG1 4.3Å; W254-V261 HydrophobicContact CD2-CG2 4.23Å; W254-V261 HydrophobicContact CE3-CB 4.39Å; W254-V261 HydrophobicContact CE3-CG2 3.91Å; W254-V261 HydrophobicContact CH2-CB 3.87Å; W254-V261 HydrophobicContact CH2-CG2 3.65Å; W254-V261 HydrophobicContact CZ2-CB 3.66Å; W254-V261 HydrophobicContact CZ2-CG1 4.45Å; W254-V261 HydrophobicContact CZ2-CG2 3.98Å; W254-V261 HydrophobicContact CZ3-CB 4.23Å; W254-V261 HydrophobicContact CZ3-CG2 3.61Å; R258-V261 HydrophobicContact CG-CG1 3.85Å; Q259-V261 VanDerWaalsContact C-N 3.32Å; Q259-V261 PolarHBondContact O-N 3.44Å; V261-F298 HydrophobicContact CG2-CB 3.72Å; V261-F298 HydrophobicContact CG2-CD2 4.07Å; V261-F298 HydrophobicContact CG2-CG 3.97Å; V261-F298 PolarHBondContact O-N 2.82Å; V261-V302 HydrophobicContact CB-CG2 4.46Å; V261-V302 HydrophobicContact CG1-CG2 4Å; V261-V302 HydrophobicContact CG2-CG2 3.58Å
262Q94.9Very high93.7Very high76 Ų7651.6 Ų51.636%0.35527%0.269SS..EExtended strand (participates in β ladder)trans-149.2152.9-179.761.117873.700110.6G249 T264 T295 L296 F297G249-Q262 WeakPolarHBondContact CA-O 3.42Å; Q262-T264 PolarHBondContact NE2-OG1 3.33Å; Q262-T295 HydrophobicContact CB-CG2 4.11Å; Q262-T295 HydrophobicContact CG-CG2 4.47Å; Q262-L296 CarbonylContact C-O 3.53Å; Q262-L296 VanDerWaalsContact CA-O 3.25Å; Q262-L296 WeakPolarHBondContact CA-O 3.18Å; Q262-F297 HydrophobicContact CB-CD1 4.14Å; Q262-F297 HydrophobicContact CB-CE1 4.41Å; Q262-F297 VanDerWaalsContact OE1-CE1 3.29Å
263L96.1Very high94Very high0 Ų051.8 Ų51.80%027%0.266CS..EExtended strand (participates in β ladder)trans-112.7127.1167.6-61.2175.2000109.5I247 E248 F250 W254 W278 T295 L296 F298 Y310 V325 V327I247-L263 HydrophobicContact CG2-CB 3.95Å; I247-L263 HydrophobicContact CG2-CD2 4.23Å; I247-L263 HydrophobicContact CG2-CG 4.47Å; E248-L263 CarbonylContact O-C 3.52Å; E248-L263 WeakPolarHBondContact O-CA 3.21Å; F250-L263 HydrophobicContact CB-CD2 3.84Å; W254-L263 HydrophobicContact CH2-CD2 3.95Å; W254-L263 HydrophobicContact CH2-CG 3.98Å; W254-L263 HydrophobicContact CZ2-CD2 3.86Å; W254-L263 HydrophobicContact CZ2-CG 4.35Å; L263-W278 HydrophobicContact CB-CH2 3.66Å; L263-W278 HydrophobicContact CB-CZ2 4.32Å; L263-W278 HydrophobicContact CB-CZ3 4.21Å; L263-W278 HydrophobicContact CD1-CZ3 4.39Å; L263-W278 WeakPolarHBondContact O-CZ2 3.2Å; L263-T295 CarbonylContact O-C 3.52Å; L263-T295 WeakPolarHBondContact O-CA 3.32Å; L263-T295 WeakPolarHBondContact O-CG2 3.39Å; L263-L296 HydrophobicContact CB-CB 4.27Å; L263-L296 HydrophobicContact CD1-CD2 4.4Å; L263-L296 PolarHBondContact N-O 2.83Å; L263-L296 PolarHBondContact O-N 2.89Å; L263-F298 HydrophobicContact CD1-CE2 4.17Å; L263-F298 HydrophobicContact CD1-CZ 4.13Å; L263-F298 HydrophobicContact CG-CE2 3.94Å; L263-F298 HydrophobicContact CG-CZ 4.4Å; L263-Y310 HydrophobicContact CD1-CD1 4.31Å; L263-Y310 HydrophobicContact CD1-CD2 4.05Å; L263-Y310 HydrophobicContact CD1-CG 3.81Å; L263-V325 HydrophobicContact CD1-CG1 3.85Å; L263-V325 HydrophobicContact CD2-CG1 4.35Å; L263-V327 HydrophobicContact CD1-CG2 4.07Å; L263-V327 HydrophobicContact CD2-CG2 4.48Å
264T96.8Very high94.3Very high13 Ų1356.1 Ų56.18%0.0829%0.293CS..EExtended strand (participates in β ladder)trans-112120-178.4-56.60000109.7E248 Q262 R266E248-T264 PolarHBondContact N-O 2.6Å; E248-T264 PolarHBondContact O-N 2.75Å; Q262-T264 PolarHBondContact NE2-OG1 3.33Å; T264-R266 PolarHBondContact O-N 2.67Å
265C96.8Very high94.4Very high0 Ų060 Ų600%031%0.313CS..EExtended strand (participates in β ladder)trans-85.3112.9177.8-173.40000110.2V245 Y276 W278 N294 C312V245-C265 WeakPolarHBondContact CG1-SG 3.42Å; C265-Y276 HydrophobicContact CB-CD1 4.11Å; C265-Y276 HydrophobicContact CB-CE1 4.24Å; C265-W278 HydrophobicContact CB-CH2 4.13Å; C265-W278 HydrophobicContact CB-CZ2 3.58Å; C265-N294 HydrophobicContact CB-CB 4.46Å; C265-N294 VanDerWaalsContact CB-O 3.27Å; C265-N294 WeakPolarHBondContact CB-O 3.35Å; C265-N294 PolarHBondContact N-O 3.47Å; C265-N294 WeakPolarHBondContact O-CB 3.21Å; C265-N294 PolarHBondContact O-ND2 3.06Å; C265-C312 HydrophobicContact CB-CB 3.73Å; C265-C312 WeakPolarHBondContact CB-SG 3.43Å; C265-C312 WeakPolarHBondContact SG-CB 3.44Å; C265-C312 CovalentContact SG-SG 2.03Å; C265-C312 PolarHBondContact SG-SG 2.83Å
266R96.5Very high94.5Very high129 Ų12959.9 Ų59.949%0.48731%0.312SS..EExtended strand (participates in β ladder)trans-95.9132169.4-60.3-58.2-176.9-176.3-2.9108.8V245 K246 E248 T264V245-R266 CarbonylContact C-O 3.53Å; V245-R266 WeakPolarHBondContact CA-O 3.4Å; K246-R266 PolarHBondContact N-O 2.9Å; K246-R266 PolarHBondContact O-N 2.65Å; K246-R266 VanDerWaalsContact O-O 3.04Å; E248-R266 HydrophobicContact CG-CG 3.99Å; E248-R266 WeakPolarHBondContact OE1-CG 3.35Å; E248-R266 IonicContact OE1-NE 3.02Å; E248-R266 VanDerWaalsContact OE2-CG 3.29Å; E248-R266 WeakPolarHBondContact OE2-CG 3.43Å; E248-R266 IonicContact OE2-CZ 2.68Å; E248-R266 IonicContact OE2-NE 3.81Å; E248-R266 PolarHBondContact OE2-NE 2.67Å; E248-R266 IonicContact OE2-NH2 2.76Å; E248-R266 PolarHBondContact OE2-NH2 3.11Å; T264-R266 PolarHBondContact O-N 2.67Å
267A96.2Very high94.6Very high20 Ų2061.5 Ų61.517%0.16532%0.318CS..EExtended strand (participates in β ladder)trans-136113.617600000109.3P243 E244 V245 V273 Y276 A314P243-A267 HydrophobicContact CB-CB 4.13Å; E244-A267 WeakPolarHBondContact O-CA 3.42Å; V245-A267 HydrophobicContact CG2-CB 4.18Å; A267-V273 HydrophobicContact CB-CG2 3.73Å; A267-Y276 HydrophobicContact CB-CE1 3.95Å; A267-A314 HydrophobicContact CB-CB 3.72Å
268D95.6Very high94.9Very high69 Ų6956.5 Ų56.537%0.36929%0.291SS..EExtended strand (participates in β ladder)trans-86.4122.1175.6-169.812000109.5R213 Y241 P243 E244R213-D268 IonicContact CZ-OD2 2.98Å; R213-D268 IonicContact NE-OD2 2.82Å; R213-D268 PolarHBondContact NE-OD2 3.13Å; R213-D268 IonicContact NH2-OD2 3.47Å; R213-D268 PolarHBondContact NH2-OD2 2.86Å; Y241-D268 PolarHBondContact OH-OD1 3.47Å; P243-D268 CarbonylContact C-O 3.58Å; P243-D268 WeakPolarHBondContact CA-O 3.44Å; E244-D268 PolarHBondContact N-O 3.21Å; E244-D268 PolarHBondContact O-N 3.27Å
269A95.8Very high95Very high15 Ų1558.9 Ų58.912%0.12430%0.303CS..EExtended strand (participates in β ladder)trans-156.4146.1-168.200000111.7P243 P271 V273 N316P243-A269 HydrophobicContact CB-CB 3.91Å; P243-A269 HydrophobicContact CG-CB 3.99Å; A269-P271 CarbonylContact C-O 3.37Å; A269-V273 HydrophobicContact CB-CG2 3.79Å; A269-N316 HydrophobicContact CB-CB 4.44Å
270N96.6Very high95.1Very high26 Ų2654.4 Ų54.414%0.13928%0.283CS..EExtended strand (participates in β ladder)trans-133.5119.5167.1-178.338.1000110.3H216 N238 V239 Q240 Y241H216-N270 PolarHBondContact CE1-ND2 2.84Å; H216-N270 PolarHBondContact ND1-ND2 2.84Å; N238-N270 PolarHBondContact OD1-ND2 2.74Å; V239-N270 PolarHBondContact O-ND2 2.87Å; Q240-N270 CarbonylContact C-O 3.56Å; Q240-N270 WeakPolarHBondContact CA-O 3.4Å; Q240-N270 VanDerWaalsContact CB-O 3.27Å; Q240-N270 WeakPolarHBondContact CB-O 3.36Å; Y241-N270 HydrophobicContact CD1-CB 4.01Å; Y241-N270 HydrophobicContact CE1-CB 3.58Å; Y241-N270 PolarHBondContact N-O 3.13Å; Y241-N270 VanDerWaalsContact O-O 3.06Å
271P96.1Very high95.1Very high39 Ų3952.8 Ų52.825%0.25327%0.273SS..SBendcis-64.1167.5-4.331.4-35.7000111.9A269 N316A269-P271 CarbonylContact C-O 3.37Å; P271-N316 WeakPolarHBondContact O-CB 3.38Å; P271-N316 PolarHBondContact O-ND2 3.14Å
272P96.3Very high94.6Very high96 Ų9659.5 Ų59.562%0.62331%0.309SS*.PPolyproline II helixtrans-53.9154.4178.9-27.235.9000113.8T274P272-T274 PolarHBondContact O-N 2.56Å
273V96.3Very high93.9Very high25 Ų2558.2 Ų58.215%0.15232%0.316CS..PPolyproline II helixtrans-63.8131.5175.4174.50000110.4P243 A267 A269 I275 Y276 A314 I315P243-V273 HydrophobicContact CB-CG2 3.95Å; P243-V273 HydrophobicContact CG-CG2 3.88Å; A267-V273 HydrophobicContact CB-CG2 3.73Å; A269-V273 HydrophobicContact CB-CG2 3.79Å; V273-I275 VanDerWaalsContact CG1-O 3.31Å; V273-I275 WeakPolarHBondContact CG1-O 3.09Å; V273-Y276 HydrophobicContact CB-CE2 4Å; V273-Y276 HydrophobicContact CG1-CD1 4.34Å; V273-Y276 HydrophobicContact CG1-CD2 3.87Å; V273-Y276 HydrophobicContact CG1-CE1 4.03Å; V273-Y276 HydrophobicContact CG1-CE2 3.49Å; V273-Y276 VanDerWaalsContact CG1-CE2 3.49Å; V273-Y276 HydrophobicContact CG1-CG 4.28Å; V273-A314 HydrophobicContact CG1-CB 4.03Å; V273-A314 HydrophobicContact CG2-CB 4.19Å; V273-I315 WeakPolarHBondContact CA-O 3.25Å; V273-I315 WeakPolarHBondContact CG1-O 3.27Å
274T95.6Very high93.3Very high107 Ų10763.1 Ų63.166%0.65635%0.351SS*.  trans-98-30179.753.50000112.6P272 I315P272-T274 PolarHBondContact O-N 2.56Å; T274-I315 PolarHBondContact N-O 2.88Å; T274-I315 PolarHBondContact OG1-O 3.23Å
275I95.3Very high92.9Very high83 Ų8364.7 Ų64.743%0.42636%0.358SS..EExtended strand (participates in β ladder)trans-136.4132.3-176.6-56.1172.5000109.9V273 Q277 I315V273-I275 VanDerWaalsContact CG1-O 3.31Å; V273-I275 WeakPolarHBondContact CG1-O 3.09Å; I275-Q277 HydrophobicContact CG2-CG 4Å; I275-I315 HydrophobicContact CB-CB 4.24Å; I275-I315 HydrophobicContact CB-CD1 4.24Å; I275-I315 HydrophobicContact CB-CG1 4.48Å; I275-I315 HydrophobicContact CG2-CD1 4.26Å; I275-I315 PolarHBondContact N-O 3.43Å; I275-I315 PolarHBondContact O-N 3.46Å
276Y96Very high92.3Very high65 Ų6565.7 Ų65.726%0.25537%0.365SS..EExtended strand (participates in β ladder)trans-111.6137.4165.3-69.4-89.3000109.1C265 A267 V273 N294 V313 A314C265-Y276 HydrophobicContact CB-CD1 4.11Å; C265-Y276 HydrophobicContact CB-CE1 4.24Å; A267-Y276 HydrophobicContact CB-CE1 3.95Å; V273-Y276 HydrophobicContact CB-CE2 4Å; V273-Y276 HydrophobicContact CG1-CD1 4.34Å; V273-Y276 HydrophobicContact CG1-CD2 3.87Å; V273-Y276 HydrophobicContact CG1-CE1 4.03Å; V273-Y276 HydrophobicContact CG1-CE2 3.49Å; V273-Y276 VanDerWaalsContact CG1-CE2 3.49Å; V273-Y276 HydrophobicContact CG1-CG 4.28Å; Y276-N294 HydrophobicContact CD1-CB 3.83Å; Y276-N294 HydrophobicContact CD2-CB 3.8Å; Y276-N294 HydrophobicContact CE1-CB 3.84Å; Y276-N294 HydrophobicContact CE2-CB 3.82Å; Y276-N294 HydrophobicContact CG-CB 3.8Å; Y276-V313 CarbonylContact C-O 3.51Å; Y276-V313 WeakPolarHBondContact CA-O 3.41Å; Y276-A314 HydrophobicContact CD1-CB 4.26Å; Y276-A314 HydrophobicContact CE1-CB 4.16Å
277Q94.4Very high91.7Very high77 Ų7765.9 Ų65.936%0.3639%0.386SS..EExtended strand (participates in β ladder)trans-131134.2171.1-53.1179.9-3.900109.7I275 V313I275-Q277 HydrophobicContact CG2-CG 4Å; Q277-V313 HydrophobicContact CB-CB 4.18Å; Q277-V313 HydrophobicContact CB-CG2 4.47Å; Q277-V313 PolarHBondContact N-O 3.28Å; Q277-V313 PolarHBondContact O-N 3.03Å
278W95.3Very high91.2Very high13 Ų1366.7 Ų66.75%0.04939%0.387CS..EExtended strand (participates in β ladder)trans-102.6140.4173-73.996.7000110.9I247 L263 C265 L285 I291 N294 L296 V311 C312I247-W278 HydrophobicContact CD1-CH2 4.12Å; I247-W278 HydrophobicContact CD1-CZ3 3.85Å; I247-W278 HydrophobicContact CG1-CH2 4.08Å; I247-W278 HydrophobicContact CG1-CZ3 4.33Å; I247-W278 HydrophobicContact CG2-CH2 3.79Å; I247-W278 HydrophobicContact CG2-CZ3 4.31Å; L263-W278 HydrophobicContact CB-CH2 3.66Å; L263-W278 HydrophobicContact CB-CZ2 4.32Å; L263-W278 HydrophobicContact CB-CZ3 4.21Å; L263-W278 HydrophobicContact CD1-CZ3 4.39Å; L263-W278 WeakPolarHBondContact O-CZ2 3.2Å; C265-W278 HydrophobicContact CB-CH2 4.13Å; C265-W278 HydrophobicContact CB-CZ2 3.58Å; W278-L285 HydrophobicContact CB-CD1 4.01Å; W278-I291 HydrophobicContact CB-CD1 3.98Å; W278-I291 HydrophobicContact CB-CG1 4.24Å; W278-I291 HydrophobicContact CG-CG1 4.47Å; W278-N294 WeakPolarHBondContact CZ2-O 3.31Å; W278-N294 PolarHBondContact NE1-O 2.78Å; W278-L296 HydrophobicContact CB-CD1 3.93Å; W278-L296 HydrophobicContact CD2-CB 3.94Å; W278-L296 HydrophobicContact CD2-CD1 4.24Å; W278-L296 HydrophobicContact CD2-CD2 4.13Å; W278-L296 HydrophobicContact CD2-CG 4.35Å; W278-L296 HydrophobicContact CE3-CB 4.33Å; W278-L296 HydrophobicContact CE3-CD2 3.89Å; W278-L296 HydrophobicContact CG-CB 4.32Å; W278-L296 HydrophobicContact CG-CD1 3.87Å; W278-L296 HydrophobicContact CG-CG 4.49Å; W278-L296 HydrophobicContact CH2-CB 4.36Å; W278-L296 HydrophobicContact CZ2-CB 3.98Å; W278-L296 HydrophobicContact CZ3-CD2 4.28Å; W278-V311 WeakPolarHBondContact CA-O 3.27Å; W278-C312 HydrophobicContact CD2-CB 4.29Å; W278-C312 HydrophobicContact CE3-CB 4.06Å; W278-C312 HydrophobicContact CH2-CB 4.12Å; W278-C312 HydrophobicContact CZ2-CB 4.33Å; W278-C312 HydrophobicContact CZ3-CB 3.98Å
279K92.8Very high91Very high106 Ų10664.6 Ų64.646%0.46138%0.377SS..EExtended strand (participates in β ladder)trans-142152.5177.6-58.3-177.3-175.2178.40109.2V311 V313K279-V311 HydrophobicContact CB-CB 4.5Å; K279-V311 PolarHBondContact N-O 3.33Å; K279-V311 PolarHBondContact O-N 3.28Å; K279-V313 HydrophobicContact CD-CG2 4.4Å
280L92.9Very high90.8Very high32 Ų3266.9 Ų66.917%0.16839%0.385CS..EExtended strand (participates in β ladder)trans-99.2135.8165.9-168.172.4000107.2N282 G283 S284 L285 Y310L280-N282 VanDerWaalsContact C-N 3.28Å; L280-N282 PolarHBondContact O-N 2.87Å; L280-G283 VanDerWaalsContact O-O 3.12Å; L280-S284 WeakPolarHBondContact CD2-O 3.44Å; L280-L285 HydrophobicContact CB-CD2 4.46Å; L280-Y310 HydrophobicContact CD1-CD1 3.94Å; L280-Y310 HydrophobicContact CD1-CD2 4.16Å; L280-Y310 HydrophobicContact CD1-CE1 3.76Å; L280-Y310 HydrophobicContact CD1-CE2 3.98Å; L280-Y310 HydrophobicContact CD1-CG 4.13Å
281L88.7Confident90.6Very high110 Ų11069.5 Ų69.558%0.57640%0.398SS*.THydrogen-bonded Turntrans-61.9-37.6-172.6-168.672.2000112.5T309 V311L281-T309 HydrophobicContact CB-CG2 3.99Å; L281-T309 HydrophobicContact CD2-CG2 3.97Å; L281-T309 PolarHBondContact N-O 3.17Å; L281-V311 HydrophobicContact CB-CG2 4.35Å; L281-V311 HydrophobicContact CD1-CG2 4.15Å
282N82.1Confident90.3Very high148 Ų14872.7 Ų72.779%0.79141%0.408SS*.THydrogen-bonded Turntrans-112.824.2-172.3-63.8-16.3000113.5L280L280-N282 VanDerWaalsContact C-N 3.28Å; L280-N282 PolarHBondContact O-N 2.87Å
283G79.3Confident90.1Very high49 Ų4975 Ų7551%0.50542%0.415SS..BIsolated β-bridgetrans172.6-166.8178.900000115.3L280L280-G283 VanDerWaalsContact O-O 3.12Å
284S85Confident89.9Confident104 Ų10475.3 Ų75.373%0.72742%0.416SS*.PPolyproline II helixtrans-76.5157.2165.552.30000111L280L280-S284 WeakPolarHBondContact CD2-O 3.44Å
285L87.7Confident90Very high46 Ų4670.8 Ų70.824%0.24139%0.389CS..PPolyproline II helixtrans-60.2142.3167.7-70.6169.3000110.2W278 L280 I291 L296 Y310W278-L285 HydrophobicContact CB-CD1 4.01Å; L280-L285 HydrophobicContact CB-CD2 4.46Å; L285-I291 HydrophobicContact CD1-CD1 3.81Å; L285-I291 HydrophobicContact CD1-CG1 4.34Å; L285-L296 HydrophobicContact CD1-CD1 4.26Å; L285-L296 HydrophobicContact CD2-CD1 4.37Å; L285-L296 HydrophobicContact CD2-CD2 4.24Å; L285-Y310 HydrophobicContact CD2-CD1 4.18Å; L285-Y310 HydrophobicContact CD2-CE1 4.17Å
286P84.5Confident89.9Confident21 Ų2166.9 Ų66.914%0.13637%0.368CS..PPolyproline II helixtrans-58.9149.2175.9-2535000112.7N288 V289 L306P286-N288 WeakPolarHBondContact CB-OD1 3.46Å; P286-N288 PolarHBondContact O-N 2.82Å; P286-V289 HydrophobicContact CB-CG2 3.99Å; P286-V289 HydrophobicContact CG-CG2 4.3Å; P286-V289 WeakPolarHBondContact O-CB 3.41Å; P286-V289 PolarHBondContact O-N 3.15Å; P286-L306 HydrophobicContact CB-CD2 3.81Å; P286-L306 HydrophobicContact CG-CD2 3.82Å
287S84.2Confident89.9Confident132 Ų13266.9 Ų66.992%0.92337%0.37SS*.THydrogen-bonded Turntrans-68.7-21.5-175.6560000114V289S287-V289 PolarHBondContact O-N 2.95Å
288N85.8Confident89.8Confident37 Ų3763.9 Ų63.920%0.19836%0.355CS..THydrogen-bonded Turntrans-85.222.4173.761.6-20.9000113P286 K299 L306P286-N288 WeakPolarHBondContact CB-OD1 3.46Å; P286-N288 PolarHBondContact O-N 2.82Å; N288-K299 VanDerWaalsContact O-CB 3.31Å; N288-K299 WeakPolarHBondContact O-CB 3.37Å; N288-K299 PolarHBondContact O-N 2.82Å; N288-L306 WeakPolarHBondContact OD1-CD2 3.34Å
289V90.3Very high89.5Confident25 Ų2568.5 Ų68.515%0.15238%0.376CS..EExtended strand (participates in β ladder)trans-119.9138.3-179.6178.50000111.4P286 S287 L296 F297 F298 L306P286-V289 HydrophobicContact CB-CG2 3.99Å; P286-V289 HydrophobicContact CG-CG2 4.3Å; P286-V289 WeakPolarHBondContact O-CB 3.41Å; P286-V289 PolarHBondContact O-N 3.15Å; S287-V289 PolarHBondContact O-N 2.95Å; V289-L296 HydrophobicContact CG1-CD1 3.24Å; V289-L296 HydrophobicContact CG1-CD2 4.09Å; V289-L296 HydrophobicContact CG1-CG 3.4Å; V289-L296 VanDerWaalsContact CG1-CG 3.4Å; V289-F297 CarbonylContact C-O 3.59Å; V289-F297 WeakPolarHBondContact CA-O 3.36Å; V289-F298 HydrophobicContact CG2-CD1 3.56Å; V289-F298 HydrophobicContact CG2-CE1 3.72Å; V289-F298 HydrophobicContact CG2-CG 4.31Å; V289-L306 HydrophobicContact CG2-CD2 4.31Å
290E91.8Very high89.2Confident63 Ų6365.5 Ų65.529%0.29438%0.375SS..EExtended strand (participates in β ladder)trans-123.6125.9177.4-177.2177.9-178.900111.1K292 F297 K299E290-K292 HydrophobicContact CG-CG 4.22Å; E290-K292 WeakPolarHBondContact OE1-CE 3.14Å; E290-K292 IonicContact OE1-NZ 3.53Å; E290-K292 IonicContact OE2-NZ 3.94Å; E290-F297 PolarHBondContact N-O 3.22Å; E290-F297 PolarHBondContact O-N 2.95Å; E290-K299 WeakPolarHBondContact OE2-CE 3.06Å; E290-K299 IonicContact OE2-NZ 2.71Å; E290-K299 PolarHBondContact OE2-NZ 2.93Å
291I92.8Very high89.1Confident82 Ų8266.5 Ų66.542%0.42138%0.383SS..EExtended strand (participates in β ladder)trans-86.9123.8172-58.2165.1000108.6W278 L285 L296W278-I291 HydrophobicContact CB-CD1 3.98Å; W278-I291 HydrophobicContact CB-CG1 4.24Å; W278-I291 HydrophobicContact CG-CG1 4.47Å; L285-I291 HydrophobicContact CD1-CD1 3.81Å; L285-I291 HydrophobicContact CD1-CG1 4.34Å; I291-L296 HydrophobicContact CG1-CD1 3.57Å
292K90.3Very high89.3Confident105 Ų10561.3 Ų61.346%0.45736%0.356SS..EExtended strand (participates in β ladder)trans-124116.7163.3-54.5-178.9178.9178.10109.1E290 N294 T295 F297E290-K292 HydrophobicContact CG-CG 4.22Å; E290-K292 WeakPolarHBondContact OE1-CE 3.14Å; E290-K292 IonicContact OE1-NZ 3.53Å; E290-K292 IonicContact OE2-NZ 3.94Å; K292-N294 PolarHBondContact O-N 2.9Å; K292-N294 VanDerWaalsContact O-N 3.13Å; K292-T295 PolarHBondContact N-O 2.02Å; K292-T295 PolarHBondContact O-N 2.94Å; K292-F297 HydrophobicContact CB-CD2 4.21Å; K292-F297 HydrophobicContact CB-CE2 3.87Å; K292-F297 HydrophobicContact CD-CD2 4.24Å; K292-F297 HydrophobicContact CD-CE2 4.1Å; K292-F297 HydrophobicContact CG-CD2 4.11Å; K292-F297 HydrophobicContact CG-CE2 4.14Å
293N90.2Very high89.8Confident144 Ų14456.3 Ų56.377%0.7733%0.331SS*.THydrogen-bonded Turntrans52.3-114.4-176.4-57.2-24000111.7
294N94Very high90.2Very high33 Ų3359.8 Ų59.818%0.17633%0.33CS..THydrogen-bonded Turntrans-92.72.9179.371.1-38.5000113.8C265 Y276 W278 K292C265-N294 HydrophobicContact CB-CB 4.46Å; C265-N294 VanDerWaalsContact CB-O 3.27Å; C265-N294 WeakPolarHBondContact CB-O 3.35Å; C265-N294 PolarHBondContact N-O 3.47Å; C265-N294 WeakPolarHBondContact O-CB 3.21Å; C265-N294 PolarHBondContact O-ND2 3.06Å; Y276-N294 HydrophobicContact CD1-CB 3.83Å; Y276-N294 HydrophobicContact CD2-CB 3.8Å; Y276-N294 HydrophobicContact CE1-CB 3.84Å; Y276-N294 HydrophobicContact CE2-CB 3.82Å; Y276-N294 HydrophobicContact CG-CB 3.8Å; W278-N294 WeakPolarHBondContact CZ2-O 3.31Å; W278-N294 PolarHBondContact NE1-O 2.78Å; K292-N294 PolarHBondContact O-N 2.9Å; K292-N294 VanDerWaalsContact O-N 3.13Å
295T95.8Very high90.3Very high12 Ų1259.7 Ų59.77%0.07432%0.321CS..EExtended strand (participates in β ladder)trans-117.7136.7-170.8-55.40000111.6Q262 L263 K292 F297Q262-T295 HydrophobicContact CB-CG2 4.11Å; Q262-T295 HydrophobicContact CG-CG2 4.47Å; L263-T295 CarbonylContact O-C 3.52Å; L263-T295 WeakPolarHBondContact O-CA 3.32Å; L263-T295 WeakPolarHBondContact O-CG2 3.39Å; K292-T295 PolarHBondContact N-O 2.02Å; K292-T295 PolarHBondContact O-N 2.94Å; T295-F297 HydrophobicContact CG2-CD2 3.9Å; T295-F297 HydrophobicContact CG2-CE1 4.13Å; T295-F297 HydrophobicContact CG2-CE2 3.38Å; T295-F297 HydrophobicContact CG2-CG 4.45Å; T295-F297 HydrophobicContact CG2-CZ 3.53Å
296L94.8Very high90.4Very high0 Ų057.6 Ų57.60%031%0.31CS..EExtended strand (participates in β ladder)trans-104.4109.5177.9-165.471000108.6Q262 L263 W278 L285 V289 I291 F298 Y310Q262-L296 CarbonylContact C-O 3.53Å; Q262-L296 VanDerWaalsContact CA-O 3.25Å; Q262-L296 WeakPolarHBondContact CA-O 3.18Å; L263-L296 HydrophobicContact CB-CB 4.27Å; L263-L296 HydrophobicContact CD1-CD2 4.4Å; L263-L296 PolarHBondContact N-O 2.83Å; L263-L296 PolarHBondContact O-N 2.89Å; W278-L296 HydrophobicContact CB-CD1 3.93Å; W278-L296 HydrophobicContact CD2-CB 3.94Å; W278-L296 HydrophobicContact CD2-CD1 4.24Å; W278-L296 HydrophobicContact CD2-CD2 4.13Å; W278-L296 HydrophobicContact CD2-CG 4.35Å; W278-L296 HydrophobicContact CE3-CB 4.33Å; W278-L296 HydrophobicContact CE3-CD2 3.89Å; W278-L296 HydrophobicContact CG-CB 4.32Å; W278-L296 HydrophobicContact CG-CD1 3.87Å; W278-L296 HydrophobicContact CG-CG 4.49Å; W278-L296 HydrophobicContact CH2-CB 4.36Å; W278-L296 HydrophobicContact CZ2-CB 3.98Å; W278-L296 HydrophobicContact CZ3-CD2 4.28Å; L285-L296 HydrophobicContact CD1-CD1 4.26Å; L285-L296 HydrophobicContact CD2-CD1 4.37Å; L285-L296 HydrophobicContact CD2-CD2 4.24Å; V289-L296 HydrophobicContact CG1-CD1 3.24Å; V289-L296 HydrophobicContact CG1-CD2 4.09Å; V289-L296 HydrophobicContact CG1-CG 3.4Å; V289-L296 VanDerWaalsContact CG1-CG 3.4Å; I291-L296 HydrophobicContact CG1-CD1 3.57Å; L296-F298 HydrophobicContact CD2-CE2 4.11Å; L296-F298 HydrophobicContact CD2-CZ 3.83Å; L296-F298 HydrophobicContact CG-CE2 4.2Å; L296-F298 HydrophobicContact CG-CZ 4.32Å; L296-Y310 HydrophobicContact CD2-CD1 3.51Å; L296-Y310 HydrophobicContact CD2-CE1 3.84Å; L296-Y310 HydrophobicContact CD2-CG 4.46Å
297F94.4Very high90.7Very high66 Ų6658.8 Ų58.829%0.28932%0.322SS..EExtended strand (participates in β ladder)trans-98129.4-177.8-69.2-90.1000110.7Q262 V289 E290 K292 T295Q262-F297 HydrophobicContact CB-CD1 4.14Å; Q262-F297 HydrophobicContact CB-CE1 4.41Å; Q262-F297 VanDerWaalsContact OE1-CE1 3.29Å; V289-F297 CarbonylContact C-O 3.59Å; V289-F297 WeakPolarHBondContact CA-O 3.36Å; E290-F297 PolarHBondContact N-O 3.22Å; E290-F297 PolarHBondContact O-N 2.95Å; K292-F297 HydrophobicContact CB-CD2 4.21Å; K292-F297 HydrophobicContact CB-CE2 3.87Å; K292-F297 HydrophobicContact CD-CD2 4.24Å; K292-F297 HydrophobicContact CD-CE2 4.1Å; K292-F297 HydrophobicContact CG-CD2 4.11Å; K292-F297 HydrophobicContact CG-CE2 4.14Å; T295-F297 HydrophobicContact CG2-CD2 3.9Å; T295-F297 HydrophobicContact CG2-CE1 4.13Å; T295-F297 HydrophobicContact CG2-CE2 3.38Å; T295-F297 HydrophobicContact CG2-CG 4.45Å; T295-F297 HydrophobicContact CG2-CZ 3.53Å
298F93Very high91.1Very high13 Ų1353.7 Ų53.76%0.05729%0.291CS..EExtended strand (participates in β ladder)trans-96.3122.4177-63.3-99.8000109.3W254 V261 L263 V289 L296 L306 Y310W254-F298 AromaticContact CH2-CD2 3.83Å; W254-F298 HydrophobicContact CH2-CD2 3.83Å; W254-F298 AromaticContact CH2-CE2 3.62Å; W254-F298 HydrophobicContact CH2-CE2 3.62Å; W254-F298 HydrophobicContact CH2-CG 4.49Å; W254-F298 HydrophobicContact CH2-CZ 4.07Å; W254-F298 HydrophobicContact CZ3-CD1 4.46Å; W254-F298 HydrophobicContact CZ3-CD2 4.15Å; W254-F298 HydrophobicContact CZ3-CE1 4.29Å; W254-F298 HydrophobicContact CZ3-CE2 4.01Å; W254-F298 HydrophobicContact CZ3-CG 4.39Å; W254-F298 HydrophobicContact CZ3-CZ 4.06Å; V261-F298 HydrophobicContact CG2-CB 3.72Å; V261-F298 HydrophobicContact CG2-CD2 4.07Å; V261-F298 HydrophobicContact CG2-CG 3.97Å; V261-F298 PolarHBondContact O-N 2.82Å; L263-F298 HydrophobicContact CD1-CE2 4.17Å; L263-F298 HydrophobicContact CD1-CZ 4.13Å; L263-F298 HydrophobicContact CG-CE2 3.94Å; L263-F298 HydrophobicContact CG-CZ 4.4Å; V289-F298 HydrophobicContact CG2-CD1 3.56Å; V289-F298 HydrophobicContact CG2-CE1 3.72Å; V289-F298 HydrophobicContact CG2-CG 4.31Å; L296-F298 HydrophobicContact CD2-CE2 4.11Å; L296-F298 HydrophobicContact CD2-CZ 3.83Å; L296-F298 HydrophobicContact CG-CE2 4.2Å; L296-F298 HydrophobicContact CG-CZ 4.32Å; F298-L306 HydrophobicContact CD1-CD1 3.86Å; F298-L306 HydrophobicContact CD1-CD2 3.78Å; F298-L306 HydrophobicContact CD1-CG 4.29Å; F298-L306 HydrophobicContact CE1-CD2 4.08Å; F298-Y310 AromaticContact CE1-CE1 4Å; F298-Y310 HydrophobicContact CE1-CE1 4Å; F298-Y310 AromaticContact CE1-CZ 3.8Å; F298-Y310 WeakPolarHBondContact CE1-OH 2.95Å; F298-Y310 HydrophobicContact CZ-CD1 4.4Å; F298-Y310 AromaticContact CZ-CE1 3.81Å; F298-Y310 HydrophobicContact CZ-CE1 3.81Å; F298-Y310 HydrophobicContact CZ-CE2 4.43Å; F298-Y310 AromaticContact CZ-CZ 3.84Å
299K89.4Confident91.6Very high110 Ų11053.3 Ų53.348%0.47829%0.29SS..PPolyproline II helixtrans-90.7124.2-177.2-67179168.6169.80110.3N288 E290N288-K299 VanDerWaalsContact O-CB 3.31Å; N288-K299 WeakPolarHBondContact O-CB 3.37Å; N288-K299 PolarHBondContact O-N 2.82Å; E290-K299 WeakPolarHBondContact OE2-CE 3.06Å; E290-K299 IonicContact OE2-NZ 2.71Å; E290-K299 PolarHBondContact OE2-NZ 2.93Å
300G87.3Confident91.8Very high43 Ų4352.1 Ų52.144%0.44328%0.282SS..SBendtrans88.3-164.8177.800000113.5
301P90.5Very high92Very high53 Ų5350 Ų5034%0.34427%0.274SS..SBendtrans-69148.7177.827.4-32.8000112.1N257 R258 T303N257-P301 HydrophobicContact CB-CB 4.47Å; R258-P301 CarbonylContact O-C 3.59Å; R258-P301 WeakPolarHBondContact O-CA 3.45Å; P301-T303 PolarHBondContact O-N 3.25Å
302V92.3Very high92.1Very high1 Ų146.1 Ų46.11%0.00625%0.254CS..  trans-66.2129.3169.1169.40000110.2W254 Y255 L256 N257 R258 V261 I329W254-V302 HydrophobicContact CE3-CG2 4.48Å; Y255-V302 WeakPolarHBondContact O-CB 3.27Å; L256-V302 WeakPolarHBondContact CA-O 3.34Å; N257-V302 PolarHBondContact N-O 3.29Å; R258-V302 HydrophobicContact CB-CB 4.29Å; R258-V302 HydrophobicContact CB-CG2 4.12Å; R258-V302 WeakPolarHBondContact O-CG2 3.29Å; R258-V302 PolarHBondContact O-N 2.89Å; V261-V302 HydrophobicContact CB-CG2 4.46Å; V261-V302 HydrophobicContact CG1-CG2 4Å; V261-V302 HydrophobicContact CG2-CG2 3.58Å; V302-I329 HydrophobicContact CG1-CD1 3.85Å; V302-I329 HydrophobicContact CG1-CG1 4.16Å; V302-I329 HydrophobicContact CG1-CG2 3.79Å
303T91.6Very high92.4Very high43 Ų4341.8 Ų41.826%0.26424%0.236SC..  trans-134.5157.2-177.450.10000110.3P301 D305 L306 I329P301-T303 PolarHBondContact O-N 3.25Å; T303-D305 VanDerWaalsContact C-N 3.25Å; T303-D305 WeakPolarHBondContact CB-OD1 3.33Å; T303-D305 PolarHBondContact O-N 3.27Å; T303-D305 VanDerWaalsContact O-N 3.16Å; T303-D305 PolarHBondContact OG1-OD1 2.85Å; T303-L306 WeakPolarHBondContact O-CB 3.34Å; T303-L306 PolarHBondContact O-N 2.83Å; T303-I329 WeakPolarHBondContact O-CD1 3.41Å
304Y89.3Confident92.7Very high123 Ų12334.9 Ų34.948%0.48220%0.199SC..G310 helixtrans-59.4-28.5-171.3-78.1-61.1000115.4L256 L306 A307 I329 E331L256-Y304 HydrophobicContact CD1-CE2 3.82Å; L256-Y304 HydrophobicContact CD2-CD1 4.43Å; L256-Y304 HydrophobicContact CD2-CD2 3.99Å; L256-Y304 HydrophobicContact CD2-CE1 4.47Å; L256-Y304 HydrophobicContact CD2-CE2 4.06Å; L256-Y304 HydrophobicContact CD2-CG 4.2Å; L256-Y304 HydrophobicContact CG-CE2 4.43Å; Y304-L306 PolarHBondContact O-N 3.4Å; Y304-A307 WeakPolarHBondContact O-CB 3.13Å; Y304-A307 PolarHBondContact O-N 2.9Å; Y304-A307 VanDerWaalsContact O-N 3.14Å; Y304-I329 HydrophobicContact CD1-CB 4.47Å; Y304-I329 HydrophobicContact CD1-CG2 4.26Å; Y304-E331 WeakPolarHBondContact OH-CG 3.49Å; Y304-E331 PolarHBondContact OH-OE1 2.69Å
305D87.4Confident92.8Very high102 Ų10235.2 Ų35.255%0.54520%0.2SC..G310 helixtrans-65.8-14.5176.458-64.8000114T303 A307T303-D305 VanDerWaalsContact C-N 3.25Å; T303-D305 WeakPolarHBondContact CB-OD1 3.33Å; T303-D305 PolarHBondContact O-N 3.27Å; T303-D305 VanDerWaalsContact O-N 3.16Å; T303-D305 PolarHBondContact OG1-OD1 2.85Å; D305-A307 VanDerWaalsContact C-N 3.32Å
306L89.3Confident92.8Very high1 Ų135 Ų351%0.00520%0.199CC..G310 helixtrans-81.8-8.5173.6-61.7178.8000113.5P286 N288 V289 F298 T303 Y304 Y310 I329P286-L306 HydrophobicContact CB-CD2 3.81Å; P286-L306 HydrophobicContact CG-CD2 3.82Å; N288-L306 WeakPolarHBondContact OD1-CD2 3.34Å; V289-L306 HydrophobicContact CG2-CD2 4.31Å; F298-L306 HydrophobicContact CD1-CD1 3.86Å; F298-L306 HydrophobicContact CD1-CD2 3.78Å; F298-L306 HydrophobicContact CD1-CG 4.29Å; F298-L306 HydrophobicContact CE1-CD2 4.08Å; T303-L306 WeakPolarHBondContact O-CB 3.34Å; T303-L306 PolarHBondContact O-N 2.83Å; Y304-L306 PolarHBondContact O-N 3.4Å; L306-Y310 WeakPolarHBondContact O-CE2 3.36Å; L306-Y310 PolarHBondContact O-OH 3.1Å; L306-I329 HydrophobicContact CB-CD1 3.73Å
307A90.9Very high92.8Very high47 Ų4738.1 Ų38.139%0.38823%0.231SC..  trans-71135.9178.700000111.1Y304 D305 V327 I329Y304-A307 WeakPolarHBondContact O-CB 3.13Å; Y304-A307 PolarHBondContact O-N 2.9Å; Y304-A307 VanDerWaalsContact O-N 3.14Å; D305-A307 VanDerWaalsContact C-N 3.32Å; A307-V327 WeakPolarHBondContact CA-O 3.29Å; A307-I329 HydrophobicContact CB-CD1 3.95Å; A307-I329 HydrophobicContact CB-CG1 4.08Å
308G92.3Very high92.8Very high25 Ų2537.4 Ų37.426%0.25823%0.23SC..EExtended strand (participates in β ladder)trans154.5179.7178.500000114.8Y310 V327G308-Y310 WeakPolarHBondContact O-CD2 3.42Å; G308-V327 PolarHBondContact N-O 3.29Å; G308-V327 PolarHBondContact O-N 2.81Å
309T95.2Very high92.7Very high29 Ų2937.7 Ų37.718%0.17824%0.237CC..EExtended strand (participates in β ladder)trans-90.3105.8-177.3-52.20000110.7L281 V324 V325 D326L281-T309 HydrophobicContact CB-CG2 3.99Å; L281-T309 HydrophobicContact CD2-CG2 3.97Å; L281-T309 PolarHBondContact N-O 3.17Å; T309-V324 HydrophobicContact CG2-CG1 3.27Å; T309-V325 WeakPolarHBondContact CA-O 3.25Å; T309-D326 VanDerWaalsContact CB-OD1 3.24Å; T309-D326 WeakPolarHBondContact CB-OD1 3.36Å; T309-D326 WeakPolarHBondContact CG2-OD1 3.32Å; T309-D326 PolarHBondContact OG1-OD1 2.8Å
310Y94.9Very high93Very high0 Ų035.6 Ų35.60%023%0.233CC..EExtended strand (participates in β ladder)trans-90.6132.3178-68.1-94.3000110.6L263 L280 L285 L296 F298 L306 G308 V324 V325 V327L263-Y310 HydrophobicContact CD1-CD1 4.31Å; L263-Y310 HydrophobicContact CD1-CD2 4.05Å; L263-Y310 HydrophobicContact CD1-CG 3.81Å; L280-Y310 HydrophobicContact CD1-CD1 3.94Å; L280-Y310 HydrophobicContact CD1-CD2 4.16Å; L280-Y310 HydrophobicContact CD1-CE1 3.76Å; L280-Y310 HydrophobicContact CD1-CE2 3.98Å; L280-Y310 HydrophobicContact CD1-CG 4.13Å; L285-Y310 HydrophobicContact CD2-CD1 4.18Å; L285-Y310 HydrophobicContact CD2-CE1 4.17Å; L296-Y310 HydrophobicContact CD2-CD1 3.51Å; L296-Y310 HydrophobicContact CD2-CE1 3.84Å; L296-Y310 HydrophobicContact CD2-CG 4.46Å; F298-Y310 AromaticContact CE1-CE1 4Å; F298-Y310 HydrophobicContact CE1-CE1 4Å; F298-Y310 AromaticContact CE1-CZ 3.8Å; F298-Y310 WeakPolarHBondContact CE1-OH 2.95Å; F298-Y310 HydrophobicContact CZ-CD1 4.4Å; F298-Y310 AromaticContact CZ-CE1 3.81Å; F298-Y310 HydrophobicContact CZ-CE1 3.81Å; F298-Y310 HydrophobicContact CZ-CE2 4.43Å; F298-Y310 AromaticContact CZ-CZ 3.84Å; L306-Y310 WeakPolarHBondContact O-CE2 3.36Å; L306-Y310 PolarHBondContact O-OH 3.1Å; G308-Y310 WeakPolarHBondContact O-CD2 3.42Å; Y310-V324 WeakPolarHBondContact O-CA 3.46Å; Y310-V325 PolarHBondContact N-O 3Å; Y310-V325 PolarHBondContact O-N 2.79Å; Y310-V327 HydrophobicContact CD2-CB 4.03Å; Y310-V327 HydrophobicContact CD2-CG2 3.6Å; Y310-V327 HydrophobicContact CE2-CB 3.91Å; Y310-V327 HydrophobicContact CE2-CG2 3.86Å
311V96Very high93.4Very high18 Ų1838.6 Ų38.611%0.10923%0.231CC..EExtended strand (participates in β ladder)trans-117.9123.5-177.7-174.40000109.4W278 K279 L281 T322 G323 V324W278-V311 WeakPolarHBondContact CA-O 3.27Å; K279-V311 HydrophobicContact CB-CB 4.5Å; K279-V311 PolarHBondContact N-O 3.33Å; K279-V311 PolarHBondContact O-N 3.28Å; L281-V311 HydrophobicContact CB-CG2 4.35Å; L281-V311 HydrophobicContact CD1-CG2 4.15Å; V311-T322 HydrophobicContact CG1-CG2 4.43Å; V311-G323 WeakPolarHBondContact CA-O 3.48Å; V311-V324 HydrophobicContact CG1-CG2 4.44Å; V311-V324 HydrophobicContact CG2-CG2 4.29Å
312C96.2Very high93.6Very high0 Ų040.1 Ų40.10%024%0.239CC..EExtended strand (participates in β ladder)trans-100.6126.1167.2175.30000109.6V245 I247 C265 W278 T322 G323V245-C312 HydrophobicContact CG1-CB 4.36Å; I247-C312 HydrophobicContact CD1-CB 3.88Å; I247-C312 HydrophobicContact CG1-CB 4.04Å; C265-C312 HydrophobicContact CB-CB 3.73Å; C265-C312 WeakPolarHBondContact CB-SG 3.43Å; C265-C312 WeakPolarHBondContact SG-CB 3.44Å; C265-C312 CovalentContact SG-SG 2.03Å; C265-C312 PolarHBondContact SG-SG 2.83Å; W278-C312 HydrophobicContact CD2-CB 4.29Å; W278-C312 HydrophobicContact CE3-CB 4.06Å; W278-C312 HydrophobicContact CH2-CB 4.12Å; W278-C312 HydrophobicContact CZ2-CB 4.33Å; W278-C312 HydrophobicContact CZ3-CB 3.98Å; C312-T322 CarbonylContact O-C 3.32Å; C312-T322 WeakPolarHBondContact O-CA 3.38Å; C312-G323 PolarHBondContact N-O 2.92Å; C312-G323 PolarHBondContact O-N 3.23Å
313V96Very high93.8Very high14 Ų1440.4 Ų40.49%0.08524%0.242CC..EExtended strand (participates in β ladder)trans-101.1122.3170.7-168.10000108.4Y276 Q277 K279 I315 T320 T322Y276-V313 CarbonylContact C-O 3.51Å; Y276-V313 WeakPolarHBondContact CA-O 3.41Å; Q277-V313 HydrophobicContact CB-CB 4.18Å; Q277-V313 HydrophobicContact CB-CG2 4.47Å; Q277-V313 PolarHBondContact N-O 3.28Å; Q277-V313 PolarHBondContact O-N 3.03Å; K279-V313 HydrophobicContact CD-CG2 4.4Å; V313-I315 HydrophobicContact CG1-CG1 4.38Å; V313-T320 HydrophobicContact CG1-CG2 3.44Å; V313-T320 VanDerWaalsContact CG1-CG2 3.44Å; V313-T322 HydrophobicContact CB-CG2 4.32Å; V313-T322 HydrophobicContact CG1-CG2 4.12Å; V313-T322 HydrophobicContact CG2-CG2 4.02Å
314A97.1Very high94Very high0 Ų042.3 Ų42.30%025%0.254CS..EExtended strand (participates in β ladder)trans-114135.6174.400000110.2P243 V245 A267 V273 Y276 T320 R321P243-A314 HydrophobicContact CB-CB 4.13Å; P243-A314 HydrophobicContact CG-CB 4.42Å; V245-A314 HydrophobicContact CG2-CB 3.64Å; A267-A314 HydrophobicContact CB-CB 3.72Å; V273-A314 HydrophobicContact CG1-CB 4.03Å; V273-A314 HydrophobicContact CG2-CB 4.19Å; Y276-A314 HydrophobicContact CD1-CB 4.26Å; Y276-A314 HydrophobicContact CE1-CB 4.16Å; A314-T320 WeakPolarHBondContact O-CA 3.35Å; A314-R321 PolarHBondContact N-O 3.14Å; A314-R321 PolarHBondContact O-N 3.44Å
315I95.9Very high94.3Very high39 Ų3937.5 Ų37.520%0.224%0.237CC..EExtended strand (participates in β ladder)trans-126.2128.7-175.1-49.7176.6000109.4V273 T274 I275 V313 T320V273-I315 WeakPolarHBondContact CA-O 3.25Å; V273-I315 WeakPolarHBondContact CG1-O 3.27Å; T274-I315 PolarHBondContact N-O 2.88Å; T274-I315 PolarHBondContact OG1-O 3.23Å; I275-I315 HydrophobicContact CB-CB 4.24Å; I275-I315 HydrophobicContact CB-CD1 4.24Å; I275-I315 HydrophobicContact CB-CG1 4.48Å; I275-I315 HydrophobicContact CG2-CD1 4.26Å; I275-I315 PolarHBondContact N-O 3.43Å; I275-I315 PolarHBondContact O-N 3.46Å; V313-I315 HydrophobicContact CG1-CG1 4.38Å; I315-T320 HydrophobicContact CG1-CG2 3.94Å
316N95.9Very high94.7Very high8 Ų837.6 Ų37.64%0.04324%0.238CC..  trans-125.3-179.2166.482.9-16.5000111.1Y241 P243 A269 P271 I318 G319Y241-N316 PolarHBondContact O-ND2 3.25Å; P243-N316 HydrophobicContact CG-CB 4.05Å; A269-N316 HydrophobicContact CB-CB 4.44Å; P271-N316 WeakPolarHBondContact O-CB 3.38Å; P271-N316 PolarHBondContact O-ND2 3.14Å; N316-I318 PolarHBondContact O-N 3.19Å; N316-I318 WeakPolarHBondContact OD1-CA 3.44Å; N316-I318 WeakPolarHBondContact OD1-CB 3.34Å; N316-I318 PolarHBondContact OD1-N 2.87Å; N316-G319 PolarHBondContact N-O 2.83Å; N316-G319 PolarHBondContact O-N 3.33Å; N316-G319 PolarHBondContact OD1-N 3.09Å; N316-G319 PolarHBondContact OD1-O 3.38Å
317G94.4Very high94.9Very high66 Ų6637.9 Ų37.968%0.6824%0.239SC*.SBendtrans-65.1-3.3179.300000116.2
318I93.5Very high95Very high51 Ų5140 Ų4026%0.26224%0.244SC..SBendtrans-105.7-35.5176.7-56.1-57.5000111.5V155 Q240 E242 N316V155-I318 HydrophobicContact CG1-CD1 4.02Å; V155-I318 HydrophobicContact CG1-CG2 4.25Å; V155-I318 HydrophobicContact CG2-CD1 4.25Å; Q240-I318 HydrophobicContact CB-CD1 3.91Å; Q240-I318 HydrophobicContact CB-CG1 4.02Å; E242-I318 HydrophobicContact CB-CG2 4.42Å; N316-I318 PolarHBondContact O-N 3.19Å; N316-I318 WeakPolarHBondContact OD1-CA 3.44Å; N316-I318 WeakPolarHBondContact OD1-CB 3.34Å; N316-I318 PolarHBondContact OD1-N 2.87Å
319G92.3Very high95Very high19 Ų1939.8 Ų39.820%0.19624%0.237CC..  trans175.8-171.7178.400000115.1P243 N316P243-G319 WeakPolarHBondContact CD-O 3.21Å; N316-G319 PolarHBondContact N-O 2.83Å; N316-G319 PolarHBondContact O-N 3.33Å; N316-G319 PolarHBondContact OD1-N 3.09Å; N316-G319 PolarHBondContact OD1-O 3.38Å
320T95.1Very high94.9Very high66 Ų6640.2 Ų40.241%0.40524%0.239SC..EExtended strand (participates in β ladder)trans-118.5134.2-176.2-58.80000110.2V313 A314 I315V313-T320 HydrophobicContact CG1-CG2 3.44Å; V313-T320 VanDerWaalsContact CG1-CG2 3.44Å; A314-T320 WeakPolarHBondContact O-CA 3.35Å; I315-T320 HydrophobicContact CG1-CG2 3.94Å
321R95.1Very high94.5Very high106 Ų10646.3 Ų46.340%0.427%0.268SS..EExtended strand (participates in β ladder)trans-139.3159.6176.7-75.6-71.3174.5-90.69110.8E242 P243 V245 A314E242-R321 HydrophobicContact CB-CG 4.32Å; E242-R321 VanDerWaalsContact CD-NE 3.32Å; E242-R321 HydrophobicContact CG-CG 4.21Å; E242-R321 IonicContact OE1-CZ 2.7Å; E242-R321 IonicContact OE1-NE 3.52Å; E242-R321 PolarHBondContact OE1-NE 3.5Å; E242-R321 IonicContact OE1-NH2 2.76Å; E242-R321 PolarHBondContact OE1-NH2 2.93Å; E242-R321 IonicContact OE2-CZ 3.63Å; E242-R321 IonicContact OE2-NE 2.69Å; E242-R321 IonicContact OE2-NH1 3.35Å; E242-R321 IonicContact OE2-NH2 3.14Å; E242-R321 PolarHBondContact OE2-NH2 3.27Å; P243-R321 WeakPolarHBondContact O-CB 3.5Å; P243-R321 WeakPolarHBondContact O-CG 3.3Å; V245-R321 HydrophobicContact CG2-CB 4Å; A314-R321 PolarHBondContact N-O 3.14Å; A314-R321 PolarHBondContact O-N 3.44Å
322T95.8Very high94Very high85 Ų8552.9 Ų52.952%0.52130%0.295SS..EExtended strand (participates in β ladder)trans-129.7132.5-172.153.60000111.4V311 C312 V313V311-T322 HydrophobicContact CG1-CG2 4.43Å; C312-T322 CarbonylContact O-C 3.32Å; C312-T322 WeakPolarHBondContact O-CA 3.38Å; V313-T322 HydrophobicContact CB-CG2 4.32Å; V313-T322 HydrophobicContact CG1-CG2 4.12Å; V313-T322 HydrophobicContact CG2-CG2 4.02Å
323G95.8Very high93.4Very high6 Ų656.3 Ų56.36%0.06232%0.317CS..EExtended strand (participates in β ladder)trans-102.6151.1165.700000110V311 C312V311-G323 WeakPolarHBondContact CA-O 3.48Å; C312-G323 PolarHBondContact N-O 2.92Å; C312-G323 PolarHBondContact O-N 3.23Å
324V96.2Very high92.5Very high84 Ų8460 Ų6051%0.50934%0.335SS..EExtended strand (participates in β ladder)trans-132.7141.1-177.9-1750000109T309 Y310 V311T309-V324 HydrophobicContact CG2-CG1 3.27Å; Y310-V324 WeakPolarHBondContact O-CA 3.46Å; V311-V324 HydrophobicContact CG1-CG2 4.44Å; V311-V324 HydrophobicContact CG2-CG2 4.29Å
325V96Very high91.4Very high22 Ų2266 Ų6613%0.13337%0.374CS..EExtended strand (participates in β ladder)trans-139.2132.9169.865.50000110.2I247 F250 L263 T309 Y310 V327I247-V325 HydrophobicContact CB-CB 4.2Å; I247-V325 HydrophobicContact CB-CG1 4.09Å; I247-V325 HydrophobicContact CD1-CB 4.31Å; I247-V325 HydrophobicContact CD1-CG1 3.93Å; I247-V325 HydrophobicContact CG2-CB 4.18Å; I247-V325 HydrophobicContact CG2-CG1 3.61Å; F250-V325 HydrophobicContact CB-CG2 3.93Å; F250-V325 HydrophobicContact CD1-CG2 4.08Å; F250-V325 HydrophobicContact CG-CG2 4.29Å; L263-V325 HydrophobicContact CD1-CG1 3.85Å; L263-V325 HydrophobicContact CD2-CG1 4.35Å; T309-V325 WeakPolarHBondContact CA-O 3.25Å; Y310-V325 PolarHBondContact N-O 3Å; Y310-V325 PolarHBondContact O-N 2.79Å; V325-V327 HydrophobicContact CG1-CG2 4.42Å
326D95.2Very high89.7Confident104 Ų10472.3 Ų72.356%0.55640%0.402SS*.EExtended strand (participates in β ladder)trans-92.7110.2174.1-65.4-49.5000109.4F250 T309F250-D326 VanDerWaalsContact CE1-O 3.29Å; F250-D326 WeakPolarHBondContact CE1-O 3.07Å; T309-D326 VanDerWaalsContact CB-OD1 3.24Å; T309-D326 WeakPolarHBondContact CB-OD1 3.36Å; T309-D326 WeakPolarHBondContact CG2-OD1 3.32Å; T309-D326 PolarHBondContact OG1-OD1 2.8Å
327V93.9Very high87.9Confident6 Ų674.6 Ų74.64%0.03643%0.427CS..EExtended strand (participates in β ladder)trans-91.1112.3176.9175.40000108.6F250 W254 L263 A307 G308 Y310 V325 I329F250-V327 HydrophobicContact CD2-CB 4.33Å; F250-V327 HydrophobicContact CD2-CG1 4.08Å; F250-V327 HydrophobicContact CD2-CG2 4.01Å; F250-V327 HydrophobicContact CE2-CB 4.3Å; F250-V327 HydrophobicContact CE2-CG1 3.92Å; F250-V327 HydrophobicContact CE2-CG2 4.48Å; F250-V327 HydrophobicContact CG-CG2 4.29Å; W254-V327 HydrophobicContact CD2-CG1 4.15Å; W254-V327 HydrophobicContact CE3-CG1 3.49Å; W254-V327 VanDerWaalsContact CE3-CG1 3.49Å; W254-V327 HydrophobicContact CZ3-CG1 3.82Å; L263-V327 HydrophobicContact CD1-CG2 4.07Å; L263-V327 HydrophobicContact CD2-CG2 4.48Å; A307-V327 WeakPolarHBondContact CA-O 3.29Å; G308-V327 PolarHBondContact N-O 3.29Å; G308-V327 PolarHBondContact O-N 2.81Å; Y310-V327 HydrophobicContact CD2-CB 4.03Å; Y310-V327 HydrophobicContact CD2-CG2 3.6Å; Y310-V327 HydrophobicContact CE2-CB 3.91Å; Y310-V327 HydrophobicContact CE2-CG2 3.86Å; V325-V327 HydrophobicContact CG1-CG2 4.42Å; V327-I329 HydrophobicContact CG1-CG1 4.39Å
328N92.5Very high86.1Confident91 Ų9176.6 Ų76.649%0.48743%0.428SS..  trans-96.9158.6166.270.234.1000110.5
329I92.7Very high84.1Confident22 Ų2280.9 Ų80.911%0.11346%0.459CS..  trans-133.2134.3-177-60.2178.1000108.8W254 L256 V302 T303 Y304 L306 A307 V327W254-I329 WeakPolarHBondContact O-CA 3.37Å; L256-I329 HydrophobicContact CD2-CG2 4.21Å; V302-I329 HydrophobicContact CG1-CD1 3.85Å; V302-I329 HydrophobicContact CG1-CG1 4.16Å; V302-I329 HydrophobicContact CG1-CG2 3.79Å; T303-I329 WeakPolarHBondContact O-CD1 3.41Å; Y304-I329 HydrophobicContact CD1-CB 4.47Å; Y304-I329 HydrophobicContact CD1-CG2 4.26Å; L306-I329 HydrophobicContact CB-CD1 3.73Å; A307-I329 HydrophobicContact CB-CD1 3.95Å; A307-I329 HydrophobicContact CB-CG1 4.08Å; V327-I329 HydrophobicContact CG1-CG1 4.39Å
330T91.6Very high82.2Confident37 Ų3781.8 Ų81.823%0.22747%0.469CS..BIsolated β-bridgetrans-112.7154.4-176.552.60000111.1W254 Y255 L256 K332W254-T330 PolarHBondContact O-N 2.89Å; W254-T330 PolarHBondContact O-OG1 3.43Å; Y255-T330 CarbonylContact C-O 3.59Å; Y255-T330 WeakPolarHBondContact CA-O 2.96Å; Y255-T330 WeakPolarHBondContact CB-OG1 3.18Å; L256-T330 PolarHBondContact N-O 2.84Å; T330-K332 VanDerWaalsContact C-N 3.32Å; T330-K332 PolarHBondContact O-N 2.79Å; T330-K332 PolarHBondContact OG1-O 2.96Å
331E87.9Confident79.9Confident129 Ų12981.5 Ų81.560%0.60348%0.479SS*.SBendtrans-67.4-35.2176.2-74.7-166.9162.300113.1L256 Y304L256-E331 HydrophobicContact CD1-CG 4.27Å; Y304-E331 WeakPolarHBondContact OH-CG 3.49Å; Y304-E331 PolarHBondContact OH-OE1 2.69Å
332K85Confident77.7Confident155 Ų15582.8 Ų82.867%0.67450%0.499SS*.SBendtrans-137147.9-171.7-64.2177.6-174.3170.80108.2T330 M334T330-K332 VanDerWaalsContact C-N 3.32Å; T330-K332 PolarHBondContact O-N 2.79Å; T330-K332 PolarHBondContact OG1-O 2.96Å; K332-M334 PolarHBondContact O-N 2.87Å
333P84.3Confident75.5Confident73 Ų7385 Ų8547%0.47451%0.506SS..  trans-53132.3174.422.3-33.2000110N253 Y255N253-P333 WeakPolarHBondContact OD1-CA 3.49Å; Y255-P333 HydrophobicContact CD1-CB 3.7Å; Y255-P333 HydrophobicContact CE1-CB 3.8Å; Y255-P333 HydrophobicContact CG-CB 4.15Å
334M76.2Confident73.2Confident92 Ų9287.3 Ų87.345%0.45353%0.53SS..  trans-58.2140.4172.8-74.5-169.2-67.100109.5G252 N253 K332 Q336G252-M334 WeakPolarHBondContact O-CE 3.28Å; N253-M334 HydrophobicContact CB-CE 4.09Å; N253-M334 PolarHBondContact OD1-N 2.8Å; K332-M334 PolarHBondContact O-N 2.87Å; M334-Q336 PolarHBondContact O-N 3.2Å
335P73.8Confident71.3Confident125 Ų12589.6 Ų89.681%0.81254%0.538SS*.  trans-62.6108175.426-32.8000108.6G337P335-G337 PolarHBondContact O-N 2.97Å
336Q60.1Low69.2Low172 Ų17294.8 Ų94.880%0.80456%0.564SS**  trans-66.891.6165.9-66.3-173.611.500107M334M334-Q336 PolarHBondContact O-N 3.2Å
337G58.3Low67.2Low55 Ų5591.9 Ų91.957%0.56756%0.558SS**  trans-55.2142.6173.300000109.5P335P335-G337 PolarHBondContact O-N 2.97Å
338P55.9Low65.5Low108 Ų10893.1 Ų93.170%0.70157%0.572SS**  trans-56139.1179.523.1-33.1000110G340 G341P338-G340 VanDerWaalsContact C-N 3.33Å; P338-G340 PolarHBondContact O-N 2.8Å; P338-G341 PolarHBondContact O-N 2.84Å
339P52Low64.2Low141 Ų14193.4 Ų93.492%0.91658%0.578SS**THydrogen-bonded Turntrans-65.591.9-178.926.8-34.2000109.9
340G53.1Low63.1Low39 Ų3996.5 Ų96.540%0.40260%0.597SS.*THydrogen-bonded Turntrans159.1-14.5-171.600000115.5P338 V342 I343P338-G340 VanDerWaalsContact C-N 3.33Å; P338-G340 PolarHBondContact O-N 2.8Å; G340-V342 PolarHBondContact O-N 2.65Å; G340-I343 PolarHBondContact O-N 3.13Å
341G47Very low62.2Low60 Ų6097 Ų9762%0.61961%0.605SS**THydrogen-bonded Turntrans-55.6-21.1-175.800000116.7P338P338-G341 PolarHBondContact O-N 2.84Å
342V47.6Very low61.8Low133 Ų13395.8 Ų95.881%0.80660%0.602SS**THydrogen-bonded Turntrans-85.1-13.6179.7-147.20000113.2G340G340-V342 PolarHBondContact O-N 2.65Å
343I50.1Low61.5Low131 Ų13190.4 Ų90.467%0.67259%0.59SS**Hα-helixtrans-82.8-30-177.1-58.6178.1000111.5G340 I345 L346 G347G340-I343 PolarHBondContact O-N 3.13Å; I343-I345 PolarHBondContact O-N 2.83Å; I343-L346 PolarHBondContact O-N 2.81Å; I343-G347 PolarHBondContact O-N 3.18Å; I343-G347 VanDerWaalsContact O-N 3.07Å
344G48.7Very low61.4Low55 Ų5592.5 Ų92.557%0.56760%0.597SS**Hα-helixtrans-62.8-35.6-175.800000114.5G348G344-G348 PolarHBondContact O-N 3.16Å
345I54.7Low61.9Low132 Ų13293.9 Ų93.968%0.67761%0.605SS**Hα-helixtrans-70.8-39.1-178.6-57.4178.3000110.7I343 V349I343-I345 PolarHBondContact O-N 2.83Å; I345-V349 WeakPolarHBondContact O-CG2 3.49Å; I345-V349 PolarHBondContact O-N 3.08Å
346L51.9Low62.5Low131 Ų13192.6 Ų92.669%0.68659%0.59SS**Hα-helixtrans-74-38.6178.5-155.969.8000111.8I343 V349 V350I343-L346 PolarHBondContact O-N 2.81Å; L346-V349 PolarHBondContact O-N 2.81Å; L346-V350 WeakPolarHBondContact O-CG2 3.47Å; L346-V350 PolarHBondContact O-N 2.93Å
347G54.4Low63.7Low42 Ų4286.1 Ų86.143%0.43357%0.569SS.*Hα-helixtrans-62.6-41.1174.100000113.3I343 V350 A351I343-G347 PolarHBondContact O-N 3.18Å; I343-G347 VanDerWaalsContact O-N 3.07Å; G347-V350 PolarHBondContact O-N 2.8Å; G347-A351 WeakPolarHBondContact O-CB 3.28Å; G347-A351 PolarHBondContact O-N 3.05Å
348G57.3Low65.1Low32 Ų3287.8 Ų87.833%0.3357%0.568SS.*Hα-helixtrans-62.7-42.7176.800000113.3G344 A351 I352G344-G348 PolarHBondContact O-N 3.16Å; G348-A351 PolarHBondContact O-N 3.37Å; G348-I352 WeakPolarHBondContact O-CB 3.42Å; G348-I352 VanDerWaalsContact O-CG1 3.3Å; G348-I352 WeakPolarHBondContact O-CG1 3.36Å; G348-I352 PolarHBondContact O-N 3.1Å
349V65.6Low66.5Low98 Ų9885.5 Ų85.559%0.59456%0.558SS**Hα-helixtrans-66.4-38.9177.8174.90000111.6I345 L346 G353I345-V349 WeakPolarHBondContact O-CG2 3.49Å; I345-V349 PolarHBondContact O-N 3.08Å; L346-V349 PolarHBondContact O-N 2.81Å; V349-G353 PolarHBondContact O-N 3.34Å
350V70.1Confident68.2Low86 Ų8682.2 Ų82.252%0.52154%0.536SS..Hα-helixtrans-66.3-42.5175173.80000111.5L346 G347 G353 L354L346-V350 WeakPolarHBondContact O-CG2 3.47Å; L346-V350 PolarHBondContact O-N 2.93Å; G347-V350 PolarHBondContact O-N 2.8Å; V350-G353 PolarHBondContact O-N 3.31Å; V350-L354 HydrophobicContact CG1-CD1 4.12Å; V350-L354 WeakPolarHBondContact O-CG 3.35Å; V350-L354 PolarHBondContact O-N 3.2Å
351A72.1Confident69.6Low48 Ų4884.2 Ų84.240%0.39754%0.54SS..Hα-helixtrans-63-44.717700000112.3G347 G348 L354 I355G347-A351 WeakPolarHBondContact O-CB 3.28Å; G347-A351 PolarHBondContact O-N 3.05Å; G348-A351 PolarHBondContact O-N 3.37Å; A351-L354 PolarHBondContact O-N 3.45Å; A351-I355 VanDerWaalsContact O-CG1 3.3Å; A351-I355 WeakPolarHBondContact O-CG1 3.45Å; A351-I355 PolarHBondContact O-N 2.91Å
352I79.3Confident71.5Confident104 Ų10485.6 Ų85.653%0.53354%0.536SS..Hα-helixtrans-64.8-41.7176.1-67.7166.3000110.7G348 L354 I355 I356G348-I352 WeakPolarHBondContact O-CB 3.42Å; G348-I352 VanDerWaalsContact O-CG1 3.3Å; G348-I352 WeakPolarHBondContact O-CG1 3.36Å; G348-I352 PolarHBondContact O-N 3.1Å; I352-L354 PolarHBondContact O-N 2.91Å; I352-I355 PolarHBondContact O-N 3.44Å; I352-I356 HydrophobicContact CG2-CD1 3.74Å; I352-I356 HydrophobicContact CG2-CG1 4.41Å; I352-I356 WeakPolarHBondContact O-CG1 3.36Å; I352-I356 PolarHBondContact O-N 2.86Å
353G79.6Confident73.3Confident42 Ų4285.1 Ų85.143%0.43352%0.524SS..Hα-helixtrans-60-41.8175.100000113.2V349 V350 G357V349-G353 PolarHBondContact O-N 3.34Å; V350-G353 PolarHBondContact O-N 3.31Å; G353-G357 PolarHBondContact O-N 2.88Å
354L82.5Confident74.7Confident117 Ų11784.6 Ų84.661%0.61352%0.52SS*.Hα-helixtrans-66-43.2174.8-74170.2000112.1V350 A351 I352 I356 G357 V358V350-L354 HydrophobicContact CG1-CD1 4.12Å; V350-L354 WeakPolarHBondContact O-CG 3.35Å; V350-L354 PolarHBondContact O-N 3.2Å; A351-L354 PolarHBondContact O-N 3.45Å; I352-L354 PolarHBondContact O-N 2.91Å; L354-I356 PolarHBondContact O-N 2.9Å; L354-G357 PolarHBondContact O-N 2.99Å; L354-V358 WeakPolarHBondContact O-CG2 3.32Å; L354-V358 PolarHBondContact O-N 3.3Å
355I85.3Confident76.3Confident120 Ų12085.8 Ų85.862%0.61552%0.516SS*.Hα-helixtrans-62.4-43.4177.3-68.5164.2000110.9A351 I352 V358 A359A351-I355 VanDerWaalsContact O-CG1 3.3Å; A351-I355 WeakPolarHBondContact O-CG1 3.45Å; A351-I355 PolarHBondContact O-N 2.91Å; I352-I355 PolarHBondContact O-N 3.44Å; I355-V358 PolarHBondContact O-N 3.04Å; I355-A359 WeakPolarHBondContact O-CB 3.32Å; I355-A359 PolarHBondContact O-N 2.81Å
356I86.8Confident77.5Confident98 Ų9884.6 Ų84.650%0.50351%0.507SS..Hα-helixtrans-65.5-41.6175.7-66.6169.6000110.8I352 L354 V358 A359 V360I352-I356 HydrophobicContact CG2-CD1 3.74Å; I352-I356 HydrophobicContact CG2-CG1 4.41Å; I352-I356 WeakPolarHBondContact O-CG1 3.36Å; I352-I356 PolarHBondContact O-N 2.86Å; L354-I356 PolarHBondContact O-N 2.9Å; I356-V358 PolarHBondContact O-N 2.84Å; I356-A359 PolarHBondContact O-N 2.87Å; I356-V360 HydrophobicContact CG2-CG2 4.29Å; I356-V360 WeakPolarHBondContact O-CB 3.47Å; I356-V360 WeakPolarHBondContact O-CG2 3.35Å; I356-V360 PolarHBondContact O-N 3.42Å
357G85.7Confident78.7Confident36 Ų3686 Ų8637%0.37150%0.504SS..Hα-helixtrans-60.4-41.5175.400000113.3G353 L354 T361G353-G357 PolarHBondContact O-N 2.88Å; L354-G357 PolarHBondContact O-N 2.99Å; G357-T361 WeakPolarHBondContact O-CB 3.33Å; G357-T361 WeakPolarHBondContact O-CG2 3.32Å; G357-T361 PolarHBondContact O-N 2.92Å; G357-T361 PolarHBondContact O-OG1 2.71Å
358V87.1Confident79.3Confident90 Ų9093.3 Ų93.355%0.54552%0.518SS..Hα-helixtrans-66-43.9173.6173.20000111L354 I355 I356 V360 T361 V362L354-V358 WeakPolarHBondContact O-CG2 3.32Å; L354-V358 PolarHBondContact O-N 3.3Å; I355-V358 PolarHBondContact O-N 3.04Å; I356-V358 PolarHBondContact O-N 2.84Å; V358-V360 PolarHBondContact O-N 2.87Å; V358-T361 WeakPolarHBondContact CA-OG1 3.36Å; V358-T361 PolarHBondContact O-N 2.84Å; V358-T361 PolarHBondContact O-OG1 2.97Å; V358-V362 HydrophobicContact CG1-CG2 4.36Å; V358-V362 WeakPolarHBondContact O-CB 3.41Å; V358-V362 VanDerWaalsContact O-CG2 3.3Å; V358-V362 WeakPolarHBondContact O-CG2 3.37Å; V358-V362 PolarHBondContact O-N 3.02Å
359A86.3Confident79.6Confident60 Ų6098 Ų9850%0.49653%0.532SS..Hα-helixtrans-61.7-42.917700000112.6I355 I356 F363I355-A359 WeakPolarHBondContact O-CB 3.32Å; I355-A359 PolarHBondContact O-N 2.81Å; I356-A359 PolarHBondContact O-N 2.87Å; A359-F363 VanDerWaalsContact O-CB 3.3Å; A359-F363 WeakPolarHBondContact O-CB 3.42Å; A359-F363 PolarHBondContact O-N 2.8Å
360V87.4Confident79.4Confident72 Ų7299 Ų9944%0.43653%0.53SS..Hα-helixtrans-67.4-41177.7171.50000111.6I356 V358 F363 M364I356-V360 HydrophobicContact CG2-CG2 4.29Å; I356-V360 WeakPolarHBondContact O-CB 3.47Å; I356-V360 WeakPolarHBondContact O-CG2 3.35Å; I356-V360 PolarHBondContact O-N 3.42Å; V358-V360 PolarHBondContact O-N 2.87Å; V360-F363 PolarHBondContact O-N 3.06Å; V360-M364 WeakPolarHBondContact O-CB 3.29Å; V360-M364 WeakPolarHBondContact O-CG 3.49Å; V360-M364 PolarHBondContact O-N 2.77Å
361T83.1Confident78.7Confident81 Ų81102.6 Ų102.650%0.49754%0.538SS..Hα-helixtrans-67.8-42177.146.60000112G357 V358 F363 M364 V365G357-T361 WeakPolarHBondContact O-CB 3.33Å; G357-T361 WeakPolarHBondContact O-CG2 3.32Å; G357-T361 PolarHBondContact O-N 2.92Å; G357-T361 PolarHBondContact O-OG1 2.71Å; V358-T361 WeakPolarHBondContact CA-OG1 3.36Å; V358-T361 PolarHBondContact O-N 2.84Å; V358-T361 PolarHBondContact O-OG1 2.97Å; T361-F363 PolarHBondContact O-N 3.49Å; T361-M364 PolarHBondContact O-N 3.22Å; T361-V365 WeakPolarHBondContact O-CG2 3.35Å; T361-V365 PolarHBondContact O-N 2.85Å
362V85.6Confident77.7Confident89 Ų89105.7 Ų105.754%0.53955%0.552SS.*Hα-helixtrans-59.7-45.4171.6170.80000111.1V358 M364 V365 H366V358-V362 HydrophobicContact CG1-CG2 4.36Å; V358-V362 WeakPolarHBondContact O-CB 3.41Å; V358-V362 VanDerWaalsContact O-CG2 3.3Å; V358-V362 WeakPolarHBondContact O-CG2 3.37Å; V358-V362 PolarHBondContact O-N 3.02Å; V362-M364 PolarHBondContact O-N 2.87Å; V362-V365 PolarHBondContact O-N 2.83Å; V362-H366 WeakPolarHBondContact O-CB 3.48Å; V362-H366 PolarHBondContact O-N 3.33Å
363F85.3Confident76.2Confident124 Ų124111.6 Ų111.654%0.54457%0.568SS.*Hα-helixtrans-62.3-40.9176.8-177.4-107.9000112.6A359 V360 T361 H366 R367A359-F363 VanDerWaalsContact O-CB 3.3Å; A359-F363 WeakPolarHBondContact O-CB 3.42Å; A359-F363 PolarHBondContact O-N 2.8Å; V360-F363 PolarHBondContact O-N 3.06Å; T361-F363 PolarHBondContact O-N 3.49Å; F363-H366 PolarHBondContact O-N 2.92Å; F363-R367 HydrophobicContact CE1-CG 4.35Å; F363-R367 HydrophobicContact CE2-CG 4.49Å; F363-R367 HydrophobicContact CZ-CG 4.27Å; F363-R367 WeakPolarHBondContact O-CG 3.28Å; F363-R367 PolarHBondContact O-N 2.81Å
364M80.4Confident74.7Confident119 Ų119115.3 Ų115.359%0.58658%0.582SS**Hα-helixtrans-66.5-39.1174.7-78.1-163.9169.200112.8V360 T361 V362 R368V360-M364 WeakPolarHBondContact O-CB 3.29Å; V360-M364 WeakPolarHBondContact O-CG 3.49Å; V360-M364 PolarHBondContact O-N 2.77Å; T361-M364 PolarHBondContact O-N 3.22Å; V362-M364 PolarHBondContact O-N 2.87Å; M364-R368 WeakPolarHBondContact O-CB 3.46Å; M364-R368 WeakPolarHBondContact O-CG 3.08Å; M364-R368 PolarHBondContact O-N 2.74Å
365V81.4Confident72.9Confident81 Ų81117.5 Ų117.549%0.49159%0.589SS.*Hα-helixtrans-65.3-42.5174.1170.70000110.6T361 V362 R368 Q369T361-V365 WeakPolarHBondContact O-CG2 3.35Å; T361-V365 PolarHBondContact O-N 2.85Å; V362-V365 PolarHBondContact O-N 2.83Å; V365-R368 PolarHBondContact O-N 2.76Å; V365-Q369 PolarHBondContact O-N 2.95Å
366H79.4Confident70.8Confident106 Ų106118.1 Ų118.149%0.49160%0.599SS.*Hα-helixtrans-65.6-39.8178.1-156.1-68.6000112.2V362 F363 Q370V362-H366 WeakPolarHBondContact O-CB 3.48Å; V362-H366 PolarHBondContact O-N 3.33Å; F363-H366 PolarHBondContact O-N 2.92Å; H366-Q370 WeakPolarHBondContact O-CG 3.29Å; H366-Q370 PolarHBondContact O-N 3.03Å
367R76.9Confident68.5Low162 Ų162120 Ų12061%0.61161%0.61SS**Hα-helixtrans-68.1-33.8171.3-71.3-16984.3171.18.2112.7F363 K371F363-R367 HydrophobicContact CE1-CG 4.35Å; F363-R367 HydrophobicContact CE2-CG 4.49Å; F363-R367 HydrophobicContact CZ-CG 4.27Å; F363-R367 WeakPolarHBondContact O-CG 3.28Å; F363-R367 PolarHBondContact O-N 2.81Å; R367-K371 PolarHBondContact O-N 3.08Å
368R68.5Low66.1Low194 Ų194125.3 Ų125.373%0.73263%0.63SS**Hα-helixtrans-65-48.4173.2-81.8-179.5169.6-165.2-3.6111.2M364 V365 Q370 K371 T372M364-R368 WeakPolarHBondContact O-CB 3.46Å; M364-R368 WeakPolarHBondContact O-CG 3.08Å; M364-R368 PolarHBondContact O-N 2.74Å; V365-R368 PolarHBondContact O-N 2.76Å; R368-Q370 VanDerWaalsContact C-N 3.32Å; R368-Q370 PolarHBondContact O-N 2.92Å; R368-K371 CarbonylContact O-C 3.55Å; R368-K371 WeakPolarHBondContact O-CA 3.4Å; R368-K371 WeakPolarHBondContact O-CB 3.5Å; R368-K371 PolarHBondContact O-N 2.85Å; R368-T372 PolarHBondContact O-N 2.87Å; R368-T372 PolarHBondContact O-OG1 2.79Å
369Q63.7Low63.8Low132 Ų132128.4 Ų128.462%0.61764%0.644SS**Hα-helixtrans-60.9-37.6175.6-73.6-172.9-8.600112.8V365 K371 T372V365-Q369 PolarHBondContact O-N 2.95Å; Q369-K371 VanDerWaalsContact C-N 3.3Å; Q369-K371 PolarHBondContact O-N 3.22Å; Q369-T372 PolarHBondContact O-N 2.84Å
370Q59.9Low61.3Low119 Ų119132.7 Ų132.756%0.55666%0.657SS**Hα-helixtrans-63.8-34.1171-78.9-179.7-2400112.7H366 R368 T374H366-Q370 WeakPolarHBondContact O-CG 3.29Å; H366-Q370 PolarHBondContact O-N 3.03Å; R368-Q370 VanDerWaalsContact C-N 3.32Å; R368-Q370 PolarHBondContact O-N 2.92Å; Q370-T374 PolarHBondContact O-OG1 3Å
371K55.6Low58.8Low161 Ų161134.5 Ų134.570%0.767%0.669SS**Hα-helixtrans-76.1-28.8177.1-159.1177.7-178.1-171.20113.1R367 R368 Q369 R373R367-K371 PolarHBondContact O-N 3.08Å; R368-K371 CarbonylContact O-C 3.55Å; R368-K371 WeakPolarHBondContact O-CA 3.4Å; R368-K371 WeakPolarHBondContact O-CB 3.5Å; R368-K371 PolarHBondContact O-N 2.85Å; Q369-K371 VanDerWaalsContact C-N 3.3Å; Q369-K371 PolarHBondContact O-N 3.22Å; K371-R373 PolarHBondContact O-N 3.06Å
372T51.7Low56.4Low112 Ų112137 Ų13769%0.68768%0.679SS**THydrogen-bonded Turntrans-78.3-1.2176.5-25.60000113.9R368 Q369R368-T372 PolarHBondContact O-N 2.87Å; R368-T372 PolarHBondContact O-OG1 2.79Å; Q369-T372 PolarHBondContact O-N 2.84Å
373R47.2Very low53.9Low228 Ų228140.3 Ų140.386%0.8669%0.693SS**THydrogen-bonded Turntrans-101.91.5-179.5-156.1174.5-179.4172.61113.9K371K371-R373 PolarHBondContact O-N 3.06Å
374T48.8Very low52.5Low120 Ų120139.4 Ų139.474%0.73670%0.699SS**SBendtrans-121.412.1-170.3-20.20000113.8Q370Q370-T374 PolarHBondContact O-OG1 3Å
375E44Very low50.9Low163 Ų163139.6 Ų139.676%0.76271%0.71SS**  trans-14065.4-173.9-158.1171.1164.100109.5
376T42Very low48.5Very low133 Ų133139.9 Ų139.982%0.81672%0.72SS**SBendtrans-151.231.5172.5-32.80000111.1
377D39.1Very low46.5Very low138 Ų138144.3 Ų144.374%0.73874%0.741SS**SBendtrans-146.3143.2173-169.824.9000109.1
378N34.5Very low44.4Very low147 Ų147145.4 Ų145.479%0.78675%0.75SS**  trans75.975-173.9-48.4-75000117.2
379D38.5Very low43Very low156 Ų156142.3 Ų142.383%0.83476%0.755SS**  trans-107.6112.5144.8174.129.2000108.7
380L34.7Very low41.8Very low150 Ų150140 Ų14079%0.78576%0.758SS**  trans-166.4142.1152.2-149.760.8000114.7
381T34.5Very low41.2Very low110 Ų110140.1 Ų140.168%0.67577%0.769SS**  trans86.7100152.516.50000122.4
382D32Very low41.1Very low133 Ų133138.1 Ų138.171%0.71177%0.773SS**  72.6103.8124.6-70.7-10.6000126.5
383L34.2Very low40.9Very low159 Ų159138.6 Ų138.683%0.83278%0.778SS**  72151.5117.9-69.1166.9000123.7
384P55.1Low41.1Very low104 Ų104133.8 Ų133.868%0.67578%0.776SS**  trans-122.4-172.4-156.645-30.5000115.4
385P47.7Very low40.7Very low124 Ų124137.5 Ų137.581%0.80578%0.782SS**  -153.4141.9103.538.1-19.6000119.8
386A31.6Very low40.1Very low86 Ų86140 Ų14071%0.71179%0.79SS**  trans29.9135.1140.100000124.9
387H35.9Very low39.6Very low199 Ų199142.2 Ų142.292%0.92179%0.789SS**  -156.4161.3113.6-111.264.9000114.6
388K33Very low39.2Very low186 Ų186141.3 Ų141.381%0.80978%0.784SS**  trans-107168.4-170-125177.2-173.8174.80110.9
389P40.4Very low39Very low128 Ų128139.8 Ų139.883%0.83179%0.785SS**  -147.4-170.665.135.2-11.5000116.7
390A36.8Very low38.8Very low84 Ų84139.2 Ų139.269%0.69478%0.782SS**  trans-127-160.8-17300000110.7
391P47.2Very low38.5Very low121 Ų121141.1 Ų141.179%0.78679%0.789SS**  cis-133.4-179-22.533.2-12.3000114.6
392P53.6Low38.3Very low120 Ų120145.2 Ų145.278%0.77980%0.797SS**  trans-114.8172.9176.241.7-33.2000115.2
393P48.2Very low38.2Very low122 Ų122142.2 Ų142.279%0.79280%0.798SS**  trans-142.9177.1149.242.1-27.6000114.1
394P50.5Low37.8Very low127 Ų127142.8 Ų142.883%0.82580%0.796SS**  -134179.3-54.840.3-24.6000114
395K41Very low36.6Very low197 Ų197144.4 Ų144.486%0.85780%0.798SS**  trans-78.7165.9-178.7-58.6169.5177.8175.20114.2
396K31.4Very low35.8Very low215 Ų215144.2 Ų144.294%0.93580%0.795SS**  trans-133.5134.3141.5-100.7-174.8178.7179.20113.4
397K32.1Very low35.7Very low181 Ų181145.1 Ų145.179%0.78780%0.796SS**  trans-84.5175.2166.5-84.9-174162.4-171.80109.4
398N30.4Very low35.5Very low118 Ų118142.3 Ų142.363%0.63179%0.788SS**  cis-163.7161.81.8-126.430.5000107.7
399S30.6Very low35.3Very low116 Ų116140.3 Ų140.381%0.81179%0.786SS**  162.4143.3117.849.70000113.4
400D33.3Very low35.1Very low144 Ų144141.2 Ų141.277%0.7778%0.782SS**  trans-96.7150.4-174.4-50.6-100.6000113.2
401M29.2Very low34.8Very low190 Ų190146.1 Ų146.194%0.93679%0.791SS**  trans-159.6161134.8-158.452.676.900111.9
402K30.9Very low34.1Very low195 Ų195146.7 Ų146.785%0.84879%0.792SS**  trans-110.2149.4-155.1-178.3175.2-177.5173.40114.2
403G28.3Very low32.9Very low70 Ų70146.2 Ų146.272%0.72279%0.786SS**  trans151.290.6167.700000113.2
404H27.5Very low32.1Very low172 Ų172148.3 Ų148.380%0.79679%0.785SS**  72.9126.482.7-125.1-80.5000116.8
405L29.2Very low31.2Very low138 Ų138149.1 Ų149.172%0.72378%0.782SS**  trans85.3101.7162.8-71.5139.6000121.9
406T29.7Very low30.6Very low120 Ų120146.4 Ų146.474%0.73678%0.777SS**  55.8127.6127.8550000123.7
407S30Very low30.7Very low104 Ų104145.4 Ų145.473%0.72777%0.773SS**  trans44.8125.3136.5-107.20000119.3
408D33.2Very low30.6Very low140 Ų140144.3 Ų144.375%0.74978%0.775SS**  cis-161.7144.949.3-85.2-36.1000114
409D28.5Very low30.7Very low145 Ų145148.1 Ų148.178%0.77579%0.789SS**  trans45.4144139.3-95.2-22.2000127.7
410I34.9Very low30.8Very low147 Ų147151.9 Ų151.975%0.75479%0.794SS**  trans73.291.2159.4-57.5156.4000117.7
411Q30.6Very low30.7Very low187 Ų187153.1 Ų153.187%0.87480%0.797SS**PPolyproline II helixtrans-86.2140.7149.7-76-174.9-16.700110.8
412V32.7Very low30.8Very low132 Ų132152.1 Ų152.180%0.879%0.79SS**PPolyproline II helixtrans-79.6125.7173.5176.40000109.8H414V412-H414 PolarHBondContact O-N 3.46Å
413V28.3Very low30.8Very low110 Ų110152.7 Ų152.767%0.66779%0.793SS**PPolyproline II helixtrans-66.9117.3177.2176.10000110.5L415V413-L415 HydrophobicContact CG1-CD1 4.06Å; V413-L415 HydrophobicContact CG1-CG 4.16Å
414H31.1Very low31Very low167 Ų167157 Ų15777%0.77380%0.798SS**PPolyproline II helixtrans-74.6134.1153.4-100.455.4000108.6V412V412-H414 PolarHBondContact O-N 3.46Å
415L31.3Very low31.6Very low144 Ų144154.4 Ų154.475%0.75480%0.797SS**  trans-123.385.3178.3-121.6153.1000107.5V413V413-L415 HydrophobicContact CG1-CD1 4.06Å; V413-L415 HydrophobicContact CG1-CG 4.16Å
416D30.4Very low32Very low139 Ų139156.1 Ų156.174%0.74381%0.806SS**  trans-69.2138.6167-70-51.7000109.5
417K31.8Very low32.4Very low195 Ų195159.3 Ų159.385%0.84881%0.812SS**  trans-141.7104.8166.4-105.4-169.6172.5-170.40108.8
418D30.2Very low33.1Very low157 Ų157159.8 Ų159.884%0.8481%0.813SS**  trans-70.6133.7163.5-61.5-62.4000110.1
419E33.6Very low33.4Very low198 Ų198159.2 Ų159.293%0.92582%0.817SS**  trans-140128.8142.6-77.5-163123.300108.5
420E31.5Very low33.8Very low195 Ų195161.6 Ų161.691%0.91182%0.816SS**  trans-72.2145.5176.3-68.8-178.792.100111.7
421M31.6Very low33.6Very low170 Ų170164.7 Ų164.784%0.83782%0.82SS**  trans-148.6111.6148-119.3-17575.200113.9
422Q32Very low33.9Very low169 Ų169161.8 Ų161.879%0.7981%0.811SS**  trans44.2113.3152-84.4168.6-37.900121.4
423K30.4Very low33.9Very low207 Ų207163.4 Ų163.490%0.981%0.811SS**  trans-79132.6168.2-171.4-175.8-170.6-178.20111.6
424L32.6Very low34.2Very low160 Ų160162.6 Ų162.684%0.83882%0.816SS**  trans-131.6151.1157.4-96.9121.2000109.8
425P39.7Very low34.9Very low118 Ų118161 Ų16177%0.76682%0.821SS**  trans-91.7152.5-156.235-34.8000114.9
426L37.2Very low35.1Very low175 Ų175159.3 Ų159.392%0.91682%0.821SS**  trans-76.1142.4170.8-70148.7000111.1
427Q38.5Very low35.1Very low186 Ų186161.8 Ų161.887%0.86983%0.828SS**  trans-118.6140.1162.2-96.1177.2-27.300109.9
428P44Very low35.1Very low115 Ų115157.1 Ų157.175%0.74782%0.82SS**PPolyproline II helixtrans-84.9155.3-176.334.3-35.4000112.7
429P40.5Very low35.2Very low127 Ų127155.5 Ų155.583%0.82582%0.816SS**PPolyproline II helixtrans-74.9135.3171.831-33.2000111.7
430Y37.5Very low35.8Very low196 Ų196151.3 Ų151.377%0.76981%0.805SS**PPolyproline II helixtrans-92.1136.3176.2-177.7-101.1000110.3D432Y430-D432 HydrophobicContact CE1-CB 3.87Å; Y430-D432 PolarHBondContact OH-OD2 2.89Å
431Y31.1Very low35.7Very low212 Ų212150.6 Ų150.683%0.83180%0.8SS**PPolyproline II helixtrans-102.6143.3170.4-105.5-88.5000108.7
432D35Very low35.7Very low126 Ų126149.5 Ų149.567%0.67480%0.803SS**  trans-143153.3160.6-139.4-23.3000111.8Y430Y430-D432 HydrophobicContact CE1-CB 3.87Å; Y430-D432 PolarHBondContact OH-OD2 2.89Å
433M33.3Very low35.6Very low166 Ų166147.1 Ų147.182%0.81880%0.796SS**  trans-120.2140.6-176.4-68.9-175.7-75.600110.7
434A34.6Very low35.6Very low93 Ų93146.1 Ų146.177%0.76979%0.791SS**  trans21140.5146.400000119.7
435P46.2Very low36.2Very low134 Ų134144 Ų14487%0.8779%0.787SS**  -152.6-172.563.840.6-19.2000117.3
436S34.5Very low35.7Very low107 Ų107146 Ų14675%0.74879%0.791SS**  trans-105.6141.9-173.952.10000114.3
437E32.1Very low35.5Very low192 Ų192143.2 Ų143.290%0.89779%0.787SS**  trans176.8161.5144.6-109.2-172-134.300110.7
438S30.1Very low35.1Very low96 Ų96137.7 Ų137.767%0.67178%0.78SS**  cis-150.7-146.6-6.466.50000113
439T33.5Very low34.6Very low123 Ų123140.4 Ų140.476%0.75578%0.782SS**  trans-99-173.6-171.853.50000113.4
440P45.8Very low34.3Very low110 Ų110143 Ų14371%0.71478%0.78SS**  cis-145173.58.644.1-24.1000119.9
441F29.1Very low34Very low180 Ų180140.9 Ų140.979%0.78978%0.782SS**  trans37.8126.4147-96.5-97.4000124.3
442T31.3Very low34.1Very low147 Ų147136.7 Ų136.790%0.90278%0.782SS**  -170.5165109.110.60000114.4
443D30.4Very low34Very low120 Ų120137.7 Ų137.764%0.64279%0.788SS**  trans-90149.2-167.3-91.9-74.4000117.3
444K31.1Very low34Very low186 Ų186136.8 Ų136.881%0.80979%0.791SS**  trans42163.5139.2-69.8-178.4-177.7172.90122.7
445P45.1Very low33.9Very low115 Ų115140 Ų14075%0.74779%0.79SS**  cis-135.5-173.8-40.539.2-22.4000113.2
446N29.4Very low33.2Very low160 Ų160143.9 Ų143.986%0.85679%0.789SS**  trans112.6147.7144.6-154.821.1000119.3
447S31.4Very low33.1Very low117 Ų117143.8 Ų143.882%0.81880%0.795SS**  trans71.9137.8172.3-158.30000117.9
448G30.3Very low33.3Very low70 Ų70143.3 Ų143.372%0.72279%0.793SS**  trans160.8-9.416400000121.6
449H34.2Very low33.4Very low171 Ų171146.6 Ų146.679%0.79280%0.802SS**  trans35.498153.3-156.648.3000119.7
450K34.2Very low33.4Very low181 Ų181147.7 Ų147.779%0.78780%0.803SS**  159.3111.2117.5-89.1177.6177.61800112.2
451D32.1Very low32.9Very low153 Ų153148.6 Ų148.682%0.81881%0.807SS**  trans-142.9145.7155.9-149.9-9000107.2
452C32.5Very low33.2Very low123 Ų123144.6 Ų144.683%0.83181%0.807SS**  trans-160111.9171.6-99.10000109.9
453D33.3Very low33.3Very low148 Ų148141.7 Ų141.779%0.79180%0.798SS**  trans-57.7162170.8-61.5-80.4000113.9
454V33.1Very low33.4Very low147 Ų147144.2 Ų144.289%0.89181%0.81SS**  trans-130.9116.1151.5-179.80000108.9
455Q33Very low33.4Very low160 Ų160139.2 Ų139.275%0.74880%0.804SS**  trans-124.9140.3167.6-103.8-172.6-14.500110.1
456Y31.8Very low32.7Very low216 Ų216139.7 Ų139.785%0.84781%0.81SS**  trans38.5126.6161.1-64.9-78.2000121
457A32Very low32.8Very low105 Ų105137.4 Ų137.487%0.86881%0.807SS**  trans-131.2123.4149.800000109.5
458E36.5Very low33.6Very low181 Ų181137.6 Ų137.685%0.84681%0.805SS**  trans-89.8147.1167.3177.5-179.7-178.300108.4
459L32.4Very low33.7Very low166 Ų166139 Ų13987%0.86980%0.804SS**  trans-155.5132.1163.7-143.878.9000111.6
460D33.6Very low34.3Very low146 Ų146137.2 Ų137.278%0.78181%0.807SS**  trans-133.4134.8175.7-172.515.2000109.1
461T34.3Very low34.2Very low128 Ų128140 Ų14079%0.78581%0.813SS**  trans-167.9138.8165.4-8.50000112.5
462A34.4Very low34.2Very low96 Ų96137.6 Ų137.679%0.79381%0.808SS**  trans-82.5-178.4179.900000112.6
463A34.6Very low34.1Very low86 Ų86137 Ų13771%0.71181%0.805SS**  cis-163.9-173.91700000112.3
464L32Very low34.1Very low173 Ų173134.3 Ų134.391%0.90680%0.804SS**  trans82.3134.4167.9-57.3165.8000116.7
465A31.8Very low34Very low82 Ų82135.7 Ų135.768%0.67880%0.8SS**  cis-162.8170-5.800000112.7
466S29.3Very low34Very low124 Ų124135 Ų13587%0.86781%0.806SS**  trans85.5121.1160.170.50000121.4
467S32.5Very low34.1Very low113 Ų113128.1 Ų128.179%0.7980%0.802SS**  trans-99173.8167.3-89.40000109.3
468P47Very low34.7Very low120 Ų120129.7 Ų129.778%0.77980%0.803SS**  cis-148.1163.732.841.3-19.7000121.5
469S34.3Very low34.7Very low100 Ų100124.6 Ų124.670%0.69980%0.8SS**  trans-19.8169.2143.2-52.90000118.8
470P46.3Very low34.8Very low133 Ų133123.7 Ų123.786%0.86480%0.796SS**  cis-148.2-162.43243.7-20.5000119.3
471R31.4Very low35Very low241 Ų241123.9 Ų123.991%0.90980%0.796SS**  trans-139.5141.9-153.8170.3-154.3-154.1-174.410110.4
472S31.9Very low35Very low102 Ų102123.8 Ų123.871%0.71379%0.794SS**  trans-171.6127.5149780000109.6
473S31.1Very low35.1Very low110 Ų110127.1 Ų127.177%0.76979%0.794SS**  61.9142.191.483.90000115.2
474A32Very low35.1Very low92 Ų92133.7 Ų133.776%0.7680%0.802SS**  cis-159-170.719.700000113.9
475H31.7Very low35.2Very low175 Ų175129.7 Ų129.781%0.8179%0.793SS**  trans-42.8152.2177.5-61.1-75.2000118.6
476T33.8Very low35.5Very low145 Ų145132.1 Ų132.189%0.8980%0.8SS**  -178.8146.797.432.10000114.6
477G32.6Very low35.8Very low73 Ų73133.8 Ų133.875%0.75380%0.797SS**  trans30.9133.915400000124.2
478P46Very low36.3Very low137 Ų137136.9 Ų136.989%0.8980%0.8SS**  trans-90.9129.5159.534.2-27.4000111.9
479G36.1Very low36.2Very low75 Ų75136.7 Ų136.777%0.77380%0.798SS**  trans-108.9152.816600000111.4
480D33.8Very low36.5Very low147 Ų147136.8 Ų136.879%0.78680%0.799SS**  trans-30.5147.5-172.9-68.8-47.3000122.4
481L38.1Very low36.4Very low149 Ų149135 Ų13578%0.7879%0.79SS**  trans33.4115141.6-74.8121.4000120
482V34.8Very low36.9Very low126 Ų126136.2 Ų136.276%0.76481%0.805SS**  trans-137.4124.7131.8-172.20000110.5Y484V482-Y484 HydrophobicContact CG1-CD2 3.67Å; V482-Y484 HydrophobicContact CG1-CE2 3.45Å; V482-Y484 VanDerWaalsContact CG1-CE2 3.45Å
483E36.4Very low37.1Very low166 Ų166137.9 Ų137.978%0.77681%0.81SS**  trans-83.8133.8170.7169.8-176.5-164.100110
484Y33.7Very low37.4Very low225 Ų225139.4 Ų139.488%0.88281%0.812SS**  trans-144.2140.2158.6-87.5-64.5000113.2V482V482-Y484 HydrophobicContact CG1-CD2 3.67Å; V482-Y484 HydrophobicContact CG1-CE2 3.45Å; V482-Y484 VanDerWaalsContact CG1-CE2 3.45Å
485A34.3Very low37.7Very low88 Ų88142 Ų14273%0.72782%0.815SS**  trans-95.9166.1-163.700000114.7
486T37.9Very low38.1Very low134 Ų134140.1 Ų140.182%0.82282%0.815SS**  trans-57131.1174-45.80000114
487I35.6Very low38.3Very low158 Ų158139.8 Ų139.881%0.8181%0.81SS**  trans-141122.3143.9-59.6-174.7000109.7
488Q42.5Very low38.7Very low179 Ų179144.2 Ų144.284%0.83681%0.814SS**  trans-106.2147.1149.5-122.3-172.9-3.600106.5
489P46.1Very low38.2Very low115 Ų115144.7 Ų144.775%0.74781%0.809SS**  -142.9-169.1105.637.1-21.1000114.1
490S40.1Very low38.4Very low103 Ų103150.1 Ų150.172%0.7281%0.811SS**  trans-93.1178.1-152.656.90000117.4
491S44.2Very low38.7Very low96 Ų96150.3 Ų150.367%0.67181%0.814SS**  trans70.110714856.70000119
492H41.2Very low38.8Very low265 Ų265150.5 Ų150.5100%1.22782%0.817SS**  -146098.5-112-68.7000111.9

Retrieved 492 of 492 residues in 460.7 ms (Link to these results)