A0A077Z7Q8_TRITR Loading...

Pro isomerase domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7Q8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 478 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
1M39.3Very low67.7Low155 Ų15579.6 Ų79.676%0.76444%0.436SS*.  098.40-71.4-101.8-84.300106.4
2S40.4Very low69.5Low48 Ų4873 Ų7334%0.33640%0.4SS..  trans-64.6136.2163.648.60000106.2S4 H22S2-S4 WeakPolarHBondContact CB-OG 3.2Å; S2-S4 PolarHBondContact O-N 3.48Å; S2-S4 PolarHBondContact OG-OG 2.97Å; S2-H22 PolarHBondContact OG-CD2 2.82Å
3L45.2Very low70.9Confident188 Ų18872.2 Ų72.298%0.98440%0.401SS*.SBendtrans-67.72.9170.7-69.4163.5000111.5
4S56.2Low72.1Confident50 Ų5073.1 Ų73.135%0.3540%0.404SS..SBendtrans-70.1145.9170.158.50000110.2S2 C6S2-S4 WeakPolarHBondContact CB-OG 3.2Å; S2-S4 PolarHBondContact O-N 3.48Å; S2-S4 PolarHBondContact OG-OG 2.97Å; S4-C6 PolarHBondContact O-N 3.34Å; S4-C6 VanDerWaalsContact O-N 3.16Å
5P61.1Low73Confident113 Ų11368.3 Ų68.373%0.73438%0.378SS*.  trans-55.3123.7169.822.9-31.4000108.9E7P5-E7 PolarHBondContact O-N 2.68Å; P5-E7 VanDerWaalsContact O-N 3.12Å
6C68.2Low74Confident49 Ų4966.8 Ų66.833%0.33137%0.366SS..  trans-65.3112.7176.5-77.30000108.9S4 D19S4-C6 PolarHBondContact O-N 3.34Å; S4-C6 VanDerWaalsContact O-N 3.16Å; C6-D19 WeakPolarHBondContact CA-OD2 3.45Å
7E78.5Confident74.9Confident148 Ų14866.1 Ų66.169%0.69236%0.361SS*.SBendtrans-74.6-46.3178.6-68.8-169.9169.500110.3P5 D19 I21P5-E7 PolarHBondContact O-N 2.68Å; P5-E7 VanDerWaalsContact O-N 3.12Å; E7-D19 PolarHBondContact N-OD2 3.08Å; E7-I21 HydrophobicContact CB-CD1 4.31Å; E7-I21 WeakPolarHBondContact OE2-CD1 3.5Å
8I86.1Confident75.6Confident60 Ų6063.4 Ų63.431%0.30835%0.345SS..SBendtrans-126.887-176.7-45.8177.5000109Y10 D19 L20I8-Y10 HydrophobicContact CG2-CD2 3.99Å; I8-Y10 HydrophobicContact CG2-CE2 3.58Å; I8-Y10 PolarHBondContact O-N 2.8Å; I8-D19 PolarHBondContact N-OD1 2.95Å; I8-L20 HydrophobicContact CB-CB 3.99Å; I8-L20 HydrophobicContact CD1-CD2 4.38Å; I8-L20 HydrophobicContact CG2-CB 4.11Å; I8-L20 HydrophobicContact CG2-CD2 4.16Å; I8-L20 PolarHBondContact O-N 2.92Å; I8-L20 VanDerWaalsContact O-N 3.08Å
9P88.2Confident76.3Confident18 Ų1860.6 Ų60.612%0.11733%0.33CS..EExtended strand (participates in β ladder)trans-72.5125.8-175.329-34.2000111.4L48 L50P9-L48 HydrophobicContact CB-CB 4.31Å; P9-L48 HydrophobicContact CG-CB 4.28Å; P9-L48 PolarHBondContact O-N 3.36Å; P9-L50 HydrophobicContact CG-CD1 3.99Å
10Y91.4Very high76.8Confident47 Ų4759.5 Ų59.518%0.18432%0.323CS..EExtended strand (participates in β ladder)trans-121.9151.7171.4-87.2-107000109.8I8 F18 L20 L45 T46 K47I8-Y10 HydrophobicContact CG2-CD2 3.99Å; I8-Y10 HydrophobicContact CG2-CE2 3.58Å; I8-Y10 PolarHBondContact O-N 2.8Å; Y10-F18 PolarHBondContact N-O 3.11Å; Y10-F18 PolarHBondContact O-N 2.82Å; Y10-F18 VanDerWaalsContact O-O 3.08Å; Y10-L20 HydrophobicContact CD1-CD1 4.37Å; Y10-L20 HydrophobicContact CD2-CB 3.79Å; Y10-L20 HydrophobicContact CD2-CD1 3.89Å; Y10-L20 HydrophobicContact CD2-CD2 4.44Å; Y10-L20 HydrophobicContact CD2-CG 4.25Å; Y10-L20 HydrophobicContact CE1-CD1 4.25Å; Y10-L20 HydrophobicContact CE2-CB 3.97Å; Y10-L20 HydrophobicContact CE2-CD1 3.78Å; Y10-L20 HydrophobicContact CE2-CD2 3.78Å; Y10-L20 HydrophobicContact CE2-CG 4.05Å; Y10-L20 HydrophobicContact CG-CD1 4.18Å; Y10-L45 HydrophobicContact CD1-CB 3.78Å; Y10-T46 CarbonylContact C-O 3.57Å; Y10-T46 VanDerWaalsContact CA-O 3.29Å; Y10-T46 WeakPolarHBondContact CA-O 3.49Å; Y10-T46 VanDerWaalsContact CD1-C 3.48Å; Y10-K47 HydrophobicContact CD1-CB 4.23Å; Y10-K47 HydrophobicContact CD2-CB 4.47Å; Y10-K47 HydrophobicContact CD2-CG 4.39Å; Y10-K47 HydrophobicContact CE1-CB 3.68Å; Y10-K47 HydrophobicContact CE1-CG 4.44Å; Y10-K47 HydrophobicContact CE2-CB 3.91Å; Y10-K47 HydrophobicContact CE2-CD 4.28Å; Y10-K47 HydrophobicContact CE2-CG 3.76Å
11S89.7Confident77.3Confident0 Ų060.6 Ų60.60%033%0.328CS..EExtended strand (participates in β ladder)trans-121.6141176.2-165.90000111.2G15 Y16 L45 T46 L115S11-G15 WeakPolarHBondContact OG-CA 3.32Å; S11-Y16 WeakPolarHBondContact CA-O 3.42Å; S11-Y16 PolarHBondContact OG-O 3.21Å; S11-L45 WeakPolarHBondContact O-CA 3.45Å; S11-T46 PolarHBondContact N-O 3.41Å; S11-T46 PolarHBondContact O-N 3.02Å; S11-L115 WeakPolarHBondContact OG-CD2 3.47Å
12S90.1Very high79.5Confident0 Ų057.8 Ų57.80%031%0.313CS..  trans-73.2161.9164.564.20000111.1D14 G15 Y16 H33S12-D14 PolarHBondContact O-N 3.12Å; S12-D14 VanDerWaalsContact O-N 3.14Å; S12-G15 WeakPolarHBondContact O-CA 3.45Å; S12-G15 PolarHBondContact O-N 3.41Å; S12-Y16 PolarHBondContact N-O 3.39Å; S12-Y16 PolarHBondContact OG-N 2.88Å; S12-H33 WeakPolarHBondContact CB-NE2 3.4Å; S12-H33 PolarHBondContact OG-NE2 3.39Å; S12-H33 VanDerWaalsContact OG-NE2 3.08Å
13P87.7Confident81.7Confident63 Ų6355.8 Ų55.841%0.40930%0.298SS..THydrogen-bonded Turntrans-55.3-30.6175.8-2735.9000113.6G15P13-G15 PolarHBondContact O-N 3.12Å
14D86.7Confident83.8Confident84 Ų8450.4 Ų50.445%0.44927%0.27SS..THydrogen-bonded Turntrans-72.6-19.3176.9-55.1-39.5000112.3S12 Y16 R123S12-D14 PolarHBondContact O-N 3.12Å; S12-D14 VanDerWaalsContact O-N 3.14Å; D14-Y16 HydrophobicContact CB-CD2 3.97Å; D14-Y16 HydrophobicContact CB-CE2 4.14Å; D14-R123 VanDerWaalsContact O-CZ 3.28Å; D14-R123 PolarHBondContact O-NH1 2.87Å; D14-R123 PolarHBondContact O-NH2 3.23Å
15G86.9Confident85.3Confident2 Ų250.9 Ų50.92%0.02127%0.272CS..  trans103.29.8178.200000115.6S11 S12 P13 R123S11-G15 WeakPolarHBondContact OG-CA 3.32Å; S12-G15 WeakPolarHBondContact O-CA 3.45Å; S12-G15 PolarHBondContact O-N 3.41Å; P13-G15 PolarHBondContact O-N 3.12Å; G15-R123 PolarHBondContact O-NH2 3.01Å
16Y89.1Confident86.5Confident44 Ų4446.2 Ų46.217%0.17324%0.24CC..  trans-75.4134177.2-68.8-76.4000110.2S11 S12 D14 F18 H33 V35 T36 R123S11-Y16 WeakPolarHBondContact CA-O 3.42Å; S11-Y16 PolarHBondContact OG-O 3.21Å; S12-Y16 PolarHBondContact N-O 3.39Å; S12-Y16 PolarHBondContact OG-N 2.88Å; D14-Y16 HydrophobicContact CB-CD2 3.97Å; D14-Y16 HydrophobicContact CB-CE2 4.14Å; Y16-F18 WeakPolarHBondContact O-CD2 3.49Å; Y16-H33 AromaticContact CD2-CE1 3.48Å; Y16-H33 VanDerWaalsContact CD2-CE1 3.48Å; Y16-H33 WeakPolarHBondContact CD2-CE1 3.46Å; Y16-H33 AromaticContact CD2-NE2 3.79Å; Y16-H33 AromaticContact CG-CE1 3.89Å; Y16-V35 HydrophobicContact CD1-CB 4.22Å; Y16-V35 HydrophobicContact CD1-CG1 4.03Å; Y16-V35 HydrophobicContact CD1-CG2 3.92Å; Y16-V35 HydrophobicContact CD2-CB 4.36Å; Y16-V35 HydrophobicContact CD2-CG1 4.44Å; Y16-V35 HydrophobicContact CE1-CB 4.17Å; Y16-V35 HydrophobicContact CE1-CG1 3.48Å; Y16-V35 VanDerWaalsContact CE1-CG1 3.48Å; Y16-V35 HydrophobicContact CE1-CG2 4.24Å; Y16-V35 HydrophobicContact CE2-CB 4.31Å; Y16-V35 HydrophobicContact CE2-CG1 3.96Å; Y16-V35 HydrophobicContact CG-CB 4.31Å; Y16-V35 HydrophobicContact CG-CG1 4.47Å; Y16-V35 HydrophobicContact CG-CG2 4.16Å; Y16-V35 VanDerWaalsContact CZ-CG1 3.42Å; Y16-T36 HydrophobicContact CE2-CG2 3.89Å; Y16-R123 HydrophobicContact CE1-CG 3.72Å; Y16-R123 VanDerWaalsContact N-NH2 3.13Å; Y16-R123 WeakPolarHBondContact OH-CG 3.34Å
17L88.3Confident87.4Confident55 Ų5544.9 Ų44.929%0.28823%0.229SC..EExtended strand (participates in β ladder)trans-89.4132.5-176.5-156.8114.5000111.2L48L17-L48 HydrophobicContact CD1-CD1 3.42Å; L17-L48 VanDerWaalsContact CD1-CD1 3.42Å; L17-L48 HydrophobicContact CG-CD1 4.48Å
18F88.2Confident87.8Confident18 Ų1847 Ų478%0.07924%0.236CC..EExtended strand (participates in β ladder)trans-135.5147179.5-59.2-61.5000110.8Y10 Y16 I23 H33 P34 V35 L45Y10-F18 PolarHBondContact N-O 3.11Å; Y10-F18 PolarHBondContact O-N 2.82Å; Y10-F18 VanDerWaalsContact O-O 3.08Å; Y16-F18 WeakPolarHBondContact O-CD2 3.49Å; F18-I23 HydrophobicContact CB-CB 3.83Å; F18-I23 HydrophobicContact CB-CD1 4.31Å; F18-I23 HydrophobicContact CB-CG1 3.95Å; F18-I23 HydrophobicContact CB-CG2 4.14Å; F18-I23 HydrophobicContact CD1-CD1 3.85Å; F18-I23 HydrophobicContact CD1-CG1 4.41Å; F18-I23 HydrophobicContact CD2-CD1 4.15Å; F18-I23 HydrophobicContact CD2-CG1 4.17Å; F18-I23 HydrophobicContact CE1-CD1 4.25Å; F18-I23 HydrophobicContact CE2-CD1 4.5Å; F18-I23 HydrophobicContact CG-CB 4.3Å; F18-I23 HydrophobicContact CG-CD1 3.82Å; F18-I23 HydrophobicContact CG-CG1 3.9Å; F18-H33 AromaticContact CE2-CE1 3.82Å; F18-H33 AromaticContact CE2-NE2 3.58Å; F18-H33 AromaticContact CZ-CE1 3.44Å; F18-H33 VanDerWaalsContact CZ-CE1 3.44Å; F18-H33 WeakPolarHBondContact CZ-CE1 3.43Å; F18-H33 AromaticContact CZ-NE2 3.72Å; F18-P34 HydrophobicContact CD1-CG 4.09Å; F18-P34 HydrophobicContact CE1-CG 3.28Å; F18-P34 HydrophobicContact CZ-CG 3.55Å; F18-V35 HydrophobicContact CE1-CG2 4.37Å; F18-V35 HydrophobicContact CZ-CG2 4.25Å; F18-L45 HydrophobicContact CD2-CD2 4.45Å
19D88.4Confident87.8Confident9 Ų948.4 Ų48.45%0.04824%0.24CC..EExtended strand (participates in β ladder)trans-82.6131.9164-160.5-27.7000109C6 E7 I8 I21 H22 I23C6-D19 WeakPolarHBondContact CA-OD2 3.45Å; E7-D19 PolarHBondContact N-OD2 3.08Å; I8-D19 PolarHBondContact N-OD1 2.95Å; D19-I21 PolarHBondContact O-N 3.2Å; D19-I21 PolarHBondContact OD1-N 3.24Å; D19-H22 PolarHBondContact O-N 3.29Å; D19-H22 VanDerWaalsContact O-N 3.15Å; D19-I23 WeakPolarHBondContact O-CB 3.47Å; D19-I23 VanDerWaalsContact O-CG2 3.28Å; D19-I23 WeakPolarHBondContact O-CG2 3.45Å; D19-I23 PolarHBondContact O-N 3.43Å
20L86.8Confident87.7Confident38 Ų3850.2 Ų50.220%0.19925%0.246CC..Hα-helixtrans-52.7-40.4178.7-171.167.3000111.8I8 Y10 H22 L24I8-L20 HydrophobicContact CB-CB 3.99Å; I8-L20 HydrophobicContact CD1-CD2 4.38Å; I8-L20 HydrophobicContact CG2-CB 4.11Å; I8-L20 HydrophobicContact CG2-CD2 4.16Å; I8-L20 PolarHBondContact O-N 2.92Å; I8-L20 VanDerWaalsContact O-N 3.08Å; Y10-L20 HydrophobicContact CD1-CD1 4.37Å; Y10-L20 HydrophobicContact CD2-CB 3.79Å; Y10-L20 HydrophobicContact CD2-CD1 3.89Å; Y10-L20 HydrophobicContact CD2-CD2 4.44Å; Y10-L20 HydrophobicContact CD2-CG 4.25Å; Y10-L20 HydrophobicContact CE1-CD1 4.25Å; Y10-L20 HydrophobicContact CE2-CB 3.97Å; Y10-L20 HydrophobicContact CE2-CD1 3.78Å; Y10-L20 HydrophobicContact CE2-CD2 3.78Å; Y10-L20 HydrophobicContact CE2-CG 4.05Å; Y10-L20 HydrophobicContact CG-CD1 4.18Å; L20-H22 VanDerWaalsContact C-N 3.25Å; L20-H22 PolarHBondContact O-N 3.04Å; L20-L24 HydrophobicContact CD1-CD1 3.66Å; L20-L24 HydrophobicContact CD1-CD2 4.16Å; L20-L24 HydrophobicContact CD1-CG 3.76Å; L20-L24 HydrophobicContact CD2-CD1 4.45Å; L20-L24 HydrophobicContact CG-CD1 3.78Å; L20-L24 HydrophobicContact CG-CG 4.19Å; L20-L24 WeakPolarHBondContact O-CG 3.28Å; L20-L24 PolarHBondContact O-N 3.34Å
21I86.7Confident87.4Confident83 Ų8349.5 Ų49.543%0.42625%0.253SS..Hα-helixtrans-61.5-36.5-175.7-59.6172.5000111.1E7 D19 P25E7-I21 HydrophobicContact CB-CD1 4.31Å; E7-I21 WeakPolarHBondContact OE2-CD1 3.5Å; D19-I21 PolarHBondContact O-N 3.2Å; D19-I21 PolarHBondContact OD1-N 3.24Å; I21-P25 WeakPolarHBondContact O-CD 3.47Å; I21-P25 VanDerWaalsContact O-CG 3.31Å; I21-P25 WeakPolarHBondContact O-CG 3.47Å
22H84.7Confident87.3Confident97 Ų9754.2 Ų54.245%0.44927%0.273SS..Hα-helixtrans-94.9-33.7-176.1-63.8-55000113.2S2 D19 L20 Y26S2-H22 PolarHBondContact OG-CD2 2.82Å; D19-H22 PolarHBondContact O-N 3.29Å; D19-H22 VanDerWaalsContact O-N 3.15Å; L20-H22 VanDerWaalsContact C-N 3.25Å; L20-H22 PolarHBondContact O-N 3.04Å; H22-Y26 PolarHBondContact O-N 3.05Å
23I87.8Confident87.2Confident5 Ų554.3 Ų54.33%0.02627%0.274CS..Hα-helixtrans-75.2-34.4-176.1-163.859.4000112.7F18 D19 Y26 I27 P34 L45F18-I23 HydrophobicContact CB-CB 3.83Å; F18-I23 HydrophobicContact CB-CD1 4.31Å; F18-I23 HydrophobicContact CB-CG1 3.95Å; F18-I23 HydrophobicContact CB-CG2 4.14Å; F18-I23 HydrophobicContact CD1-CD1 3.85Å; F18-I23 HydrophobicContact CD1-CG1 4.41Å; F18-I23 HydrophobicContact CD2-CD1 4.15Å; F18-I23 HydrophobicContact CD2-CG1 4.17Å; F18-I23 HydrophobicContact CE1-CD1 4.25Å; F18-I23 HydrophobicContact CE2-CD1 4.5Å; F18-I23 HydrophobicContact CG-CB 4.3Å; F18-I23 HydrophobicContact CG-CD1 3.82Å; F18-I23 HydrophobicContact CG-CG1 3.9Å; D19-I23 WeakPolarHBondContact O-CB 3.47Å; D19-I23 VanDerWaalsContact O-CG2 3.28Å; D19-I23 WeakPolarHBondContact O-CG2 3.45Å; D19-I23 PolarHBondContact O-N 3.43Å; I23-Y26 PolarHBondContact O-N 3.43Å; I23-I27 HydrophobicContact CD1-CD1 4.44Å; I23-I27 HydrophobicContact CD1-CG1 4.36Å; I23-I27 HydrophobicContact CG1-CD1 3.8Å; I23-I27 HydrophobicContact CG1-CG1 4.18Å; I23-I27 VanDerWaalsContact O-CG1 3.32Å; I23-I27 WeakPolarHBondContact O-CG1 3.38Å; I23-I27 PolarHBondContact O-N 3.14Å; I23-P34 HydrophobicContact CD1-CG 3.76Å; I23-L45 HydrophobicContact CG1-CD1 4.34Å; I23-L45 HydrophobicContact CG2-CD1 3.98Å
24L88.8Confident87.1Confident75 Ų7551.8 Ų51.839%0.39326%0.257SS..Hα-helixtrans-64.3-48.2179.6-69.2179.2000112.7L20 Y26 I27 K28 A42L20-L24 HydrophobicContact CD1-CD1 3.66Å; L20-L24 HydrophobicContact CD1-CD2 4.16Å; L20-L24 HydrophobicContact CD1-CG 3.76Å; L20-L24 HydrophobicContact CD2-CD1 4.45Å; L20-L24 HydrophobicContact CG-CD1 3.78Å; L20-L24 HydrophobicContact CG-CG 4.19Å; L20-L24 WeakPolarHBondContact O-CG 3.28Å; L20-L24 PolarHBondContact O-N 3.34Å; L24-Y26 VanDerWaalsContact C-N 3.29Å; L24-Y26 PolarHBondContact O-N 2.74Å; L24-I27 PolarHBondContact O-N 3.3Å; L24-K28 WeakPolarHBondContact O-CB 3.47Å; L24-K28 PolarHBondContact O-N 2.8Å; L24-A42 HydrophobicContact CD2-CB 4.1Å
25P87.5Confident87.2Confident60 Ų6048.5 Ų48.539%0.3924%0.241SC..Hα-helixtrans-58.6-39.2171.8-25.334.7000113.1I21 K28 K29 V138I21-P25 WeakPolarHBondContact O-CD 3.47Å; I21-P25 VanDerWaalsContact O-CG 3.31Å; I21-P25 WeakPolarHBondContact O-CG 3.47Å; P25-K28 PolarHBondContact O-N 3.2Å; P25-K29 WeakPolarHBondContact O-CB 3.13Å; P25-K29 PolarHBondContact O-N 3.09Å; P25-V138 HydrophobicContact CB-CG1 4.3Å
26Y86Confident87.2Confident16 Ų1651.2 Ų51.26%0.06326%0.257CS..Hα-helixtrans-63.4-49.2178.3-170.9-81.6000111.8H22 I23 L24 K28 K29 F30 K32 P34 H131 L136 V138H22-Y26 PolarHBondContact O-N 3.05Å; I23-Y26 PolarHBondContact O-N 3.43Å; L24-Y26 VanDerWaalsContact C-N 3.29Å; L24-Y26 PolarHBondContact O-N 2.74Å; Y26-K28 VanDerWaalsContact C-N 3.3Å; Y26-K28 PolarHBondContact O-N 2.68Å; Y26-K29 PolarHBondContact O-N 3.12Å; Y26-F30 HydrophobicContact CD1-CD2 4.12Å; Y26-F30 AromaticContact CD2-CD2 3.68Å; Y26-F30 HydrophobicContact CD2-CD2 3.68Å; Y26-F30 AromaticContact CD2-CE2 3.92Å; Y26-F30 HydrophobicContact CD2-CE2 3.92Å; Y26-F30 HydrophobicContact CE1-CB 4.14Å; Y26-F30 AromaticContact CE1-CD2 3.98Å; Y26-F30 HydrophobicContact CE1-CD2 3.98Å; Y26-F30 HydrophobicContact CE1-CG 4.44Å; Y26-F30 AromaticContact CE2-CD2 3.52Å; Y26-F30 HydrophobicContact CE2-CD2 3.52Å; Y26-F30 AromaticContact CE2-CE2 3.74Å; Y26-F30 HydrophobicContact CE2-CE2 3.74Å; Y26-F30 AromaticContact CG-CD2 3.96Å; Y26-F30 HydrophobicContact CG-CD2 3.96Å; Y26-F30 AromaticContact CZ-CD2 3.67Å; Y26-F30 PolarHBondContact O-N 3.28Å; Y26-K32 VanDerWaalsContact CE1-O 3.29Å; Y26-K32 WeakPolarHBondContact CE1-O 3.33Å; Y26-P34 HydrophobicContact CD1-CB 4.26Å; Y26-P34 HydrophobicContact CE1-CB 3.8Å; Y26-P34 HydrophobicContact CE1-CG 4.49Å; Y26-P34 HydrophobicContact CE2-CB 4.32Å; Y26-H131 HydrophobicContact CE2-CB 4.2Å; Y26-L136 HydrophobicContact CE2-CB 4.44Å; Y26-V138 HydrophobicContact CD2-CG2 3.75Å; Y26-V138 HydrophobicContact CG-CG2 4.25Å
27I88.4Confident87Confident21 Ų2150 Ų5011%0.10826%0.258CS..Hα-helixtrans-61.9-40.2176.6-67.3169.9000110.2I23 L24 K29 G31 L40 L45I23-I27 HydrophobicContact CD1-CD1 4.44Å; I23-I27 HydrophobicContact CD1-CG1 4.36Å; I23-I27 HydrophobicContact CG1-CD1 3.8Å; I23-I27 HydrophobicContact CG1-CG1 4.18Å; I23-I27 VanDerWaalsContact O-CG1 3.32Å; I23-I27 WeakPolarHBondContact O-CG1 3.38Å; I23-I27 PolarHBondContact O-N 3.14Å; L24-I27 PolarHBondContact O-N 3.3Å; I27-K29 VanDerWaalsContact C-N 3.34Å; I27-K29 PolarHBondContact O-N 2.83Å; I27-G31 WeakPolarHBondContact O-CA 3.29Å; I27-G31 PolarHBondContact O-N 2.93Å; I27-L40 HydrophobicContact CD1-CD2 3.77Å; I27-L40 HydrophobicContact CD1-CG 4Å; I27-L40 HydrophobicContact CG1-CD2 4.15Å; I27-L40 HydrophobicContact CG1-CG 4.47Å; I27-L45 HydrophobicContact CD1-CD1 3.95Å
28K87.5Confident87Confident192 Ų19253.5 Ų53.584%0.83527%0.273SS*.Hα-helixtrans-64-37.2177.6-171.5178.4179.2-177.90112.7L24 P25 Y26L24-K28 WeakPolarHBondContact O-CB 3.47Å; L24-K28 PolarHBondContact O-N 2.8Å; P25-K28 PolarHBondContact O-N 3.2Å; Y26-K28 VanDerWaalsContact C-N 3.3Å; Y26-K28 PolarHBondContact O-N 2.68Å
29K85Confident87Confident89 Ų8962.2 Ų62.239%0.38731%0.31SS..Hα-helixtrans-82-44.7-178-169164.5-174.8155.70112.6P25 Y26 I27 V138 D141P25-K29 WeakPolarHBondContact O-CB 3.13Å; P25-K29 PolarHBondContact O-N 3.09Å; Y26-K29 PolarHBondContact O-N 3.12Å; I27-K29 VanDerWaalsContact C-N 3.34Å; I27-K29 PolarHBondContact O-N 2.83Å; K29-V138 HydrophobicContact CD-CG1 4.32Å; K29-D141 VanDerWaalsContact NZ-CG 3.32Å; K29-D141 IonicContact NZ-OD1 2.72Å; K29-D141 PolarHBondContact NZ-OD1 2.56Å; K29-D141 IonicContact NZ-OD2 3.57Å; K29-D141 PolarHBondContact NZ-OD2 3.25Å
30F86.6Confident87Confident57 Ų5762.5 Ų62.525%0.2531%0.312CS..Hα-helixtrans-109.6-22-171.3-59.7-67.3000114.3Y26 K32 L136 V138Y26-F30 HydrophobicContact CD1-CD2 4.12Å; Y26-F30 AromaticContact CD2-CD2 3.68Å; Y26-F30 HydrophobicContact CD2-CD2 3.68Å; Y26-F30 AromaticContact CD2-CE2 3.92Å; Y26-F30 HydrophobicContact CD2-CE2 3.92Å; Y26-F30 HydrophobicContact CE1-CB 4.14Å; Y26-F30 AromaticContact CE1-CD2 3.98Å; Y26-F30 HydrophobicContact CE1-CD2 3.98Å; Y26-F30 HydrophobicContact CE1-CG 4.44Å; Y26-F30 AromaticContact CE2-CD2 3.52Å; Y26-F30 HydrophobicContact CE2-CD2 3.52Å; Y26-F30 AromaticContact CE2-CE2 3.74Å; Y26-F30 HydrophobicContact CE2-CE2 3.74Å; Y26-F30 AromaticContact CG-CD2 3.96Å; Y26-F30 HydrophobicContact CG-CD2 3.96Å; Y26-F30 AromaticContact CZ-CD2 3.67Å; Y26-F30 PolarHBondContact O-N 3.28Å; F30-K32 PolarHBondContact O-N 3.37Å; F30-L136 HydrophobicContact CD1-CD2 4.1Å; F30-L136 HydrophobicContact CE1-CB 4.38Å; F30-L136 HydrophobicContact CE1-CD2 3.72Å; F30-L136 HydrophobicContact CE2-CB 4.38Å; F30-L136 HydrophobicContact CZ-CB 4.16Å; F30-L136 HydrophobicContact CZ-CD2 4.27Å; F30-V138 HydrophobicContact CD2-CG2 4.45Å; F30-V138 HydrophobicContact CE2-CG2 3.9Å
31G85.1Confident87Confident31 Ų3165.2 Ų65.232%0.3233%0.326SS..  trans64.616.5-178.900000114.9I27I27-G31 WeakPolarHBondContact O-CA 3.29Å; I27-G31 PolarHBondContact O-N 2.93Å
32K88.1Confident87Confident99 Ų9963.2 Ų63.243%0.4332%0.323SS..BIsolated β-bridgetrans-128.2158.5-172.7-68.4179.3-177.9-174.20111.9Y26 F30 E38Y26-K32 VanDerWaalsContact CE1-O 3.29Å; Y26-K32 WeakPolarHBondContact CE1-O 3.33Å; F30-K32 PolarHBondContact O-N 3.37Å; K32-E38 CarbonylContact C-O 3.59Å; K32-E38 VanDerWaalsContact CA-O 3.32Å; K32-E38 WeakPolarHBondContact CA-O 3.35Å
33H87.6Confident87.1Confident3 Ų367.5 Ų67.51%0.01434%0.34CS..  trans-74.1126.1171.8-167.1-70.9000109.2S12 Y16 F18 V35 T36 G37 E38 L40S12-H33 WeakPolarHBondContact CB-NE2 3.4Å; S12-H33 PolarHBondContact OG-NE2 3.39Å; S12-H33 VanDerWaalsContact OG-NE2 3.08Å; Y16-H33 AromaticContact CD2-CE1 3.48Å; Y16-H33 VanDerWaalsContact CD2-CE1 3.48Å; Y16-H33 WeakPolarHBondContact CD2-CE1 3.46Å; Y16-H33 AromaticContact CD2-NE2 3.79Å; Y16-H33 AromaticContact CG-CE1 3.89Å; F18-H33 AromaticContact CE2-CE1 3.82Å; F18-H33 AromaticContact CE2-NE2 3.58Å; F18-H33 AromaticContact CZ-CE1 3.44Å; F18-H33 VanDerWaalsContact CZ-CE1 3.44Å; F18-H33 WeakPolarHBondContact CZ-CE1 3.43Å; F18-H33 AromaticContact CZ-NE2 3.72Å; H33-V35 VanDerWaalsContact C-N 3.25Å; H33-V35 PolarHBondContact ND1-N 2.94Å; H33-V35 VanDerWaalsContact ND1-N 3.13Å; H33-V35 PolarHBondContact O-N 3.33Å; H33-T36 WeakPolarHBondContact CB-OG1 3.27Å; H33-T36 VanDerWaalsContact CG-OG1 3.28Å; H33-T36 PolarHBondContact ND1-N 3.48Å; H33-T36 PolarHBondContact ND1-OG1 3.42Å; H33-G37 VanDerWaalsContact O-CA 3.3Å; H33-G37 WeakPolarHBondContact O-CA 3.45Å; H33-G37 PolarHBondContact O-N 3.08Å; H33-E38 WeakPolarHBondContact CB-O 3.43Å; H33-E38 PolarHBondContact N-O 3.19Å; H33-L40 HydrophobicContact CB-CB 4.02Å; H33-L40 HydrophobicContact CB-CD2 4.26Å
34P85.6Confident87.1Confident9 Ų969.3 Ų69.36%0.05835%0.353CS..THydrogen-bonded Turntrans-67.1-23.7-173.826.5-36.5000113.9F18 I23 Y26 D130 H131F18-P34 HydrophobicContact CD1-CG 4.09Å; F18-P34 HydrophobicContact CE1-CG 3.28Å; F18-P34 HydrophobicContact CZ-CG 3.55Å; I23-P34 HydrophobicContact CD1-CG 3.76Å; Y26-P34 HydrophobicContact CD1-CB 4.26Å; Y26-P34 HydrophobicContact CE1-CB 3.8Å; Y26-P34 HydrophobicContact CE1-CG 4.49Å; Y26-P34 HydrophobicContact CE2-CB 4.32Å; P34-D130 PolarHBondContact O-N 2.88Å; P34-H131 HydrophobicContact CB-CB 4.33Å; P34-H131 PolarHBondContact O-N 2.87Å; P34-H131 PolarHBondContact O-ND1 3.24Å
35V87.9Confident87.2Confident16 Ų1666.5 Ų66.510%0.09734%0.338CS..THydrogen-bonded Turntrans-91.3-58178.6179.50000112.8Y16 F18 H33 F129 D130Y16-V35 HydrophobicContact CD1-CB 4.22Å; Y16-V35 HydrophobicContact CD1-CG1 4.03Å; Y16-V35 HydrophobicContact CD1-CG2 3.92Å; Y16-V35 HydrophobicContact CD2-CB 4.36Å; Y16-V35 HydrophobicContact CD2-CG1 4.44Å; Y16-V35 HydrophobicContact CE1-CB 4.17Å; Y16-V35 HydrophobicContact CE1-CG1 3.48Å; Y16-V35 VanDerWaalsContact CE1-CG1 3.48Å; Y16-V35 HydrophobicContact CE1-CG2 4.24Å; Y16-V35 HydrophobicContact CE2-CB 4.31Å; Y16-V35 HydrophobicContact CE2-CG1 3.96Å; Y16-V35 HydrophobicContact CG-CB 4.31Å; Y16-V35 HydrophobicContact CG-CG1 4.47Å; Y16-V35 HydrophobicContact CG-CG2 4.16Å; Y16-V35 VanDerWaalsContact CZ-CG1 3.42Å; F18-V35 HydrophobicContact CE1-CG2 4.37Å; F18-V35 HydrophobicContact CZ-CG2 4.25Å; H33-V35 VanDerWaalsContact C-N 3.25Å; H33-V35 PolarHBondContact ND1-N 2.94Å; H33-V35 VanDerWaalsContact ND1-N 3.13Å; H33-V35 PolarHBondContact O-N 3.33Å; V35-F129 HydrophobicContact CB-CD1 4.25Å; V35-F129 HydrophobicContact CB-CG 4.44Å; V35-F129 HydrophobicContact CG1-CD1 3.36Å; V35-F129 HydrophobicContact CG1-CE1 3.5Å; V35-F129 HydrophobicContact CG1-CG 4.01Å; V35-F129 HydrophobicContact CG1-CZ 4.25Å; V35-F129 HydrophobicContact CG2-CD1 4.32Å; V35-F129 HydrophobicContact CG2-CD2 4.26Å; V35-F129 HydrophobicContact CG2-CE1 4.38Å; V35-F129 HydrophobicContact CG2-CE2 4.31Å; V35-F129 HydrophobicContact CG2-CG 4.23Å; V35-F129 HydrophobicContact CG2-CZ 4.37Å; V35-D130 PolarHBondContact O-N 2.86Å
36T86.4Confident87.3Confident58 Ų5864.5 Ų64.536%0.35633%0.325SS..THydrogen-bonded Turntrans-86.5-20-174.355.60000114.4Y16 H33 E38Y16-T36 HydrophobicContact CE2-CG2 3.89Å; H33-T36 WeakPolarHBondContact CB-OG1 3.27Å; H33-T36 VanDerWaalsContact CG-OG1 3.28Å; H33-T36 PolarHBondContact ND1-N 3.48Å; H33-T36 PolarHBondContact ND1-OG1 3.42Å; T36-E38 PolarHBondContact O-N 2.96Å
37G84.9Confident87.6Confident19 Ų1969.4 Ų69.420%0.19635%0.347CS..  trans80.3-5.1-176.300000114.9H33H33-G37 VanDerWaalsContact O-CA 3.3Å; H33-G37 WeakPolarHBondContact O-CA 3.45Å; H33-G37 PolarHBondContact O-N 3.08Å
38E89.3Confident87.8Confident129 Ų12968.7 Ų68.760%0.60334%0.343SS*.SBendtrans-70.7163.5178.8-63.2-172174.200112.4K32 H33 T36 L40K32-E38 CarbonylContact C-O 3.59Å; K32-E38 VanDerWaalsContact CA-O 3.32Å; K32-E38 WeakPolarHBondContact CA-O 3.35Å; H33-E38 WeakPolarHBondContact CB-O 3.43Å; H33-E38 PolarHBondContact N-O 3.19Å; T36-E38 PolarHBondContact O-N 2.96Å; E38-L40 PolarHBondContact O-N 3.14Å
39K88.7Confident88Confident201 Ų20162.9 Ų62.987%0.87432%0.32SS*.BIsolated β-bridgetrans-70.1121.1178.6-170.9178.3-178.6-179.60109.9
40L87Confident88.2Confident14 Ų1461.9 Ų61.97%0.07332%0.319CS..  trans-111.7124.7-179.2-175.760.8000110.3I27 H33 E38 L45I27-L40 HydrophobicContact CD1-CD2 3.77Å; I27-L40 HydrophobicContact CD1-CG 4Å; I27-L40 HydrophobicContact CG1-CD2 4.15Å; I27-L40 HydrophobicContact CG1-CG 4.47Å; H33-L40 HydrophobicContact CB-CB 4.02Å; H33-L40 HydrophobicContact CB-CD2 4.26Å; E38-L40 PolarHBondContact O-N 3.14Å; L40-L45 HydrophobicContact CD1-CD2 4.39Å; L40-L45 HydrophobicContact CD2-CD2 4.28Å
41D87.7Confident88.4Confident95 Ų9561.7 Ų61.751%0.50832%0.318SS..  trans-91.9142171.8-171.214.8000110.4K43 S44D41-K43 PolarHBondContact O-N 3.13Å; D41-S44 PolarHBondContact O-N 2.97Å; D41-S44 PolarHBondContact O-OG 3.33Å
42A85.4Confident88.6Confident42 Ų4267.1 Ų67.135%0.34733%0.333SS..G310 helixtrans-64.4-27178.400000112.1L24 S44L24-A42 HydrophobicContact CD2-CB 4.1Å; A42-S44 VanDerWaalsContact C-N 3.34Å
43K87.7Confident88.6Confident187 Ų18763.1 Ų63.181%0.81332%0.316SS*.G310 helixtrans-73.6-20.7179.1-65-178.1179.6178.80114.2D41 L45D41-K43 PolarHBondContact O-N 3.13Å; K43-L45 VanDerWaalsContact C-N 3.29Å
44S88.1Confident88.7Confident43 Ų4368.9 Ų68.930%0.30135%0.354SS..G310 helixtrans-82.6-10.1179.167.90000113D41 A42D41-S44 PolarHBondContact O-N 2.97Å; D41-S44 PolarHBondContact O-OG 3.33Å; A42-S44 VanDerWaalsContact C-N 3.34Å
45L89.9Confident88.9Confident16 Ų1674.9 Ų74.98%0.08439%0.385CS..  trans-72.3133.9176.5-63.1176.2000110.7Y10 S11 F18 I23 I27 L40 K43Y10-L45 HydrophobicContact CD1-CB 3.78Å; S11-L45 WeakPolarHBondContact O-CA 3.45Å; F18-L45 HydrophobicContact CD2-CD2 4.45Å; I23-L45 HydrophobicContact CG1-CD1 4.34Å; I23-L45 HydrophobicContact CG2-CD1 3.98Å; I27-L45 HydrophobicContact CD1-CD1 3.95Å; L40-L45 HydrophobicContact CD1-CD2 4.39Å; L40-L45 HydrophobicContact CD2-CD2 4.28Å; K43-L45 VanDerWaalsContact C-N 3.29Å
46T91.1Very high88.8Confident18 Ų1876 Ų7611%0.1140%0.401CS..EExtended strand (participates in β ladder)trans-104.5128178.3-53.90000109.6Y10 S11 L48 R77Y10-T46 CarbonylContact C-O 3.57Å; Y10-T46 VanDerWaalsContact CA-O 3.29Å; Y10-T46 WeakPolarHBondContact CA-O 3.49Å; Y10-T46 VanDerWaalsContact CD1-C 3.48Å; S11-T46 PolarHBondContact N-O 3.41Å; S11-T46 PolarHBondContact O-N 3.02Å; T46-L48 PolarHBondContact O-N 2.69Å; T46-R77 VanDerWaalsContact CG2-O 3.29Å; T46-R77 WeakPolarHBondContact CG2-O 3.48Å
47K92.6Very high88.9Confident118 Ų11877.5 Ų77.551%0.51340%0.403SS..EExtended strand (participates in β ladder)trans-69.7128.5173.3-173.9176.5177.2179.70109.1Y10 G80Y10-K47 HydrophobicContact CD1-CB 4.23Å; Y10-K47 HydrophobicContact CD2-CB 4.47Å; Y10-K47 HydrophobicContact CD2-CG 4.39Å; Y10-K47 HydrophobicContact CE1-CB 3.68Å; Y10-K47 HydrophobicContact CE1-CG 4.44Å; Y10-K47 HydrophobicContact CE2-CB 3.91Å; Y10-K47 HydrophobicContact CE2-CD 4.28Å; Y10-K47 HydrophobicContact CE2-CG 3.76Å; K47-G80 VanDerWaalsContact O-CA 3.25Å; K47-G80 WeakPolarHBondContact O-CA 3.39Å
48L91.7Very high89.1Confident6 Ų679 Ų793%0.03141%0.41CS..  trans-92.2137.6177.2-62.1-179.5000111.2P9 L17 T46 A75 G80 V82 L115P9-L48 HydrophobicContact CB-CB 4.31Å; P9-L48 HydrophobicContact CG-CB 4.28Å; P9-L48 PolarHBondContact O-N 3.36Å; L17-L48 HydrophobicContact CD1-CD1 3.42Å; L17-L48 VanDerWaalsContact CD1-CD1 3.42Å; L17-L48 HydrophobicContact CG-CD1 4.48Å; T46-L48 PolarHBondContact O-N 2.69Å; L48-A75 HydrophobicContact CD2-CB 3.48Å; L48-A75 VanDerWaalsContact CD2-CB 3.48Å; L48-G80 WeakPolarHBondContact CA-O 3.29Å; L48-V82 HydrophobicContact CB-CG2 4.22Å; L48-V82 HydrophobicContact CD2-CG2 4.25Å; L48-L115 HydrophobicContact CD1-CD1 3.75Å; L48-L115 HydrophobicContact CD1-CD2 4.07Å; L48-L115 HydrophobicContact CD2-CD1 4.39Å
49I91.3Very high89.3Confident70 Ų7075.7 Ų75.736%0.35939%0.392SS..BIsolated β-bridgetrans-112.2100.9174.7-59.1175.5000107F51 G80 V82I49-F51 HydrophobicContact CG2-CE2 4.29Å; I49-F51 HydrophobicContact CG2-CZ 4.15Å; I49-G80 PolarHBondContact N-O 2.86Å; I49-V82 PolarHBondContact O-N 2.89Å
50L89.3Confident89.4Confident68 Ų6866.1 Ų66.136%0.35635%0.351SS..  trans-90119.1176.8-69.1161.1000109.3P9 P58 V82P9-L50 HydrophobicContact CG-CD1 3.99Å; L50-P58 HydrophobicContact CD2-CB 4.4Å; L50-V82 HydrophobicContact CD2-CB 3.89Å; L50-V82 HydrophobicContact CD2-CG1 3.93Å; L50-V82 HydrophobicContact CD2-CG2 3.74Å; L50-V82 HydrophobicContact CG-CG2 4.26Å
51F90Very high89.6Confident54 Ų5467.1 Ų67.124%0.23736%0.358CS..  trans-76.7134.6171.4-63.6-86000109.3I49 P58 W59 P61 H81 I102I49-F51 HydrophobicContact CG2-CE2 4.29Å; I49-F51 HydrophobicContact CG2-CZ 4.15Å; F51-P58 CarbonylContact O-C 3.54Å; F51-P58 VanDerWaalsContact O-CA 3.29Å; F51-P58 WeakPolarHBondContact O-CA 3.49Å; F51-W59 PolarHBondContact O-N 3.25Å; F51-P61 HydrophobicContact CB-CB 4.32Å; F51-P61 HydrophobicContact CB-CG 4.41Å; F51-P61 HydrophobicContact CD1-CB 4.45Å; F51-P61 HydrophobicContact CD2-CB 4.23Å; F51-P61 HydrophobicContact CD2-CG 3.6Å; F51-P61 HydrophobicContact CE2-CG 4.02Å; F51-P61 HydrophobicContact CG-CB 4.06Å; F51-P61 HydrophobicContact CG-CG 3.95Å; F51-H81 HydrophobicContact CE2-CB 4.1Å; F51-H81 AromaticContact CE2-CD2 3.78Å; F51-H81 AromaticContact CE2-CG 3.98Å; F51-H81 AromaticContact CZ-CD2 3.66Å; F51-H81 AromaticContact CZ-NE2 3.9Å; F51-I102 HydrophobicContact CD2-CD1 4.16Å; F51-I102 HydrophobicContact CE1-CD1 4.04Å; F51-I102 HydrophobicContact CE2-CD1 3.3Å; F51-I102 HydrophobicContact CZ-CD1 3.24Å
52K89.4Confident89.8Confident145 Ų14565.3 Ų65.363%0.6335%0.35SS*.BIsolated β-bridgetrans-108143178.3-64.8179178.5-1750110G56 E57 W59K52-G56 WeakPolarHBondContact CD-O 3.48Å; K52-E57 CarbonylContact C-O 3.46Å; K52-E57 VanDerWaalsContact CA-O 3.3Å; K52-E57 WeakPolarHBondContact CA-O 3.46Å; K52-W59 PolarHBondContact O-NE1 3.18Å
53N89.6Confident90.1Very high14 Ų1465.5 Ų65.58%0.07535%0.347CS..  trans-72.1172.817071.73.4000110.1N55 G56 E57 W59N53-N55 PolarHBondContact O-N 2.78Å; N53-N55 VanDerWaalsContact O-N 3.09Å; N53-N55 VanDerWaalsContact OD1-C 3.29Å; N53-N55 WeakPolarHBondContact OD1-CA 3.43Å; N53-N55 WeakPolarHBondContact OD1-CB 3.38Å; N53-N55 PolarHBondContact OD1-N 3.45Å; N53-G56 PolarHBondContact O-N 3.49Å; N53-G56 PolarHBondContact OD1-N 2.75Å; N53-E57 PolarHBondContact N-O 3.24Å; N53-E57 PolarHBondContact ND2-OE2 3.18Å; N53-E57 VanDerWaalsContact ND2-OE2 3.09Å; N53-E57 PolarHBondContact OD1-N 2.86Å; N53-E57 PolarHBondContact OD1-O 3.13Å; N53-W59 HydrophobicContact CB-CB 4.46Å; N53-W59 HydrophobicContact CB-CD2 3.73Å; N53-W59 HydrophobicContact CB-CE3 3.94Å; N53-W59 HydrophobicContact CB-CG 3.95Å; N53-W59 HydrophobicContact CB-CZ3 4.45Å
54P89.8Confident90.2Very high125 Ų12565.3 Ų65.381%0.81234%0.341SS*.THydrogen-bonded Turntrans-56.9-22.3174.7-26.636.1000114.4G56P54-G56 VanDerWaalsContact C-N 3.32Å
55N88.8Confident90.3Very high134 Ų13470.2 Ų70.272%0.71735%0.353SS*.THydrogen-bonded Turntrans-84.7-4.1177.1-58.6-6.6000113N53N53-N55 PolarHBondContact O-N 2.78Å; N53-N55 VanDerWaalsContact O-N 3.09Å; N53-N55 VanDerWaalsContact OD1-C 3.29Å; N53-N55 WeakPolarHBondContact OD1-CA 3.43Å; N53-N55 WeakPolarHBondContact OD1-CB 3.38Å; N53-N55 PolarHBondContact OD1-N 3.45Å
56G86.5Confident90.4Very high41 Ų4173 Ų7342%0.42337%0.368SS..SBendtrans87.41-17900000115.7K52 N53 P54K52-G56 WeakPolarHBondContact CD-O 3.48Å; N53-G56 PolarHBondContact O-N 3.49Å; N53-G56 PolarHBondContact OD1-N 2.75Å; P54-G56 VanDerWaalsContact C-N 3.32Å
57E88.8Confident90.4Very high88 Ų8873.8 Ų73.841%0.41137%0.369SS..  trans-85.5142179.6-56.4171.1137.200111.2K52 N53 W59 I66K52-E57 CarbonylContact C-O 3.46Å; K52-E57 VanDerWaalsContact CA-O 3.3Å; K52-E57 WeakPolarHBondContact CA-O 3.46Å; N53-E57 PolarHBondContact N-O 3.24Å; N53-E57 PolarHBondContact ND2-OE2 3.18Å; N53-E57 VanDerWaalsContact ND2-OE2 3.09Å; N53-E57 PolarHBondContact OD1-N 2.86Å; N53-E57 PolarHBondContact OD1-O 3.13Å; E57-W59 PolarHBondContact O-N 2.87Å; E57-I66 HydrophobicContact CB-CG2 4.28Å
58P89.5Confident90.2Very high52 Ų5271.3 Ų71.334%0.33836%0.364SS..BIsolated β-bridgetrans-70.5129.8-179.732.1-35.8000110.7L50 F51 F67L50-P58 HydrophobicContact CD2-CB 4.4Å; F51-P58 CarbonylContact O-C 3.54Å; F51-P58 VanDerWaalsContact O-CA 3.29Å; F51-P58 WeakPolarHBondContact O-CA 3.49Å; P58-F67 HydrophobicContact CB-CD2 4.06Å; P58-F67 WeakPolarHBondContact O-CD2 3.4Å; P58-F67 PolarHBondContact O-N 2.93Å
59W91.6Very high89.8Confident59 Ų5978.8 Ų78.822%0.22340%0.404CS..BIsolated β-bridgetrans-137.8160.6-178.877.3-23.5000111.5F51 K52 N53 E57 R64 R65 I66 F67F51-W59 PolarHBondContact O-N 3.25Å; K52-W59 PolarHBondContact O-NE1 3.18Å; N53-W59 HydrophobicContact CB-CB 4.46Å; N53-W59 HydrophobicContact CB-CD2 3.73Å; N53-W59 HydrophobicContact CB-CE3 3.94Å; N53-W59 HydrophobicContact CB-CG 3.95Å; N53-W59 HydrophobicContact CB-CZ3 4.45Å; E57-W59 PolarHBondContact O-N 2.87Å; W59-R64 HydrophobicContact CE3-CB 3.88Å; W59-R64 HydrophobicContact CE3-CG 4.36Å; W59-R64 HydrophobicContact CH2-CB 4.14Å; W59-R64 HydrophobicContact CH2-CG 3.83Å; W59-R64 HydrophobicContact CZ2-CG 4.5Å; W59-R64 HydrophobicContact CZ3-CB 3.52Å; W59-R64 HydrophobicContact CZ3-CG 3.75Å; W59-R65 WeakPolarHBondContact CA-O 3.47Å; W59-R65 WeakPolarHBondContact CB-O 3.47Å; W59-I66 HydrophobicContact CB-CG1 4.48Å; W59-F67 WeakPolarHBondContact O-CE2 3.32Å
60C92.4Very high89.6Confident0 Ų079.6 Ų79.60%042%0.416CS..  trans-76.1124.2171.5179.60000109.6V62 T63 R64 R65 F67 S84C60-V62 PolarHBondContact O-N 2.85Å; C60-T63 WeakPolarHBondContact CB-OG1 3.49Å; C60-T63 PolarHBondContact SG-OG1 2.83Å; C60-R64 WeakPolarHBondContact O-CA 3.27Å; C60-R64 PolarHBondContact O-N 3.44Å; C60-R65 PolarHBondContact N-O 3.24Å; C60-F67 HydrophobicContact CB-CE1 4.06Å; C60-F67 HydrophobicContact CB-CZ 3.87Å; C60-S84 PolarHBondContact SG-N 2.87Å; C60-S84 VanDerWaalsContact SG-N 3.37Å; C60-S84 PolarHBondContact SG-OG 2.77Å
61P91.2Very high89.6Confident35 Ų3577.6 Ų77.623%0.22741%0.408CS..THydrogen-bonded Turntrans-67.5-24.2-176.325.3-33000113.4F51 F83 I102F51-P61 HydrophobicContact CB-CB 4.32Å; F51-P61 HydrophobicContact CB-CG 4.41Å; F51-P61 HydrophobicContact CD1-CB 4.45Å; F51-P61 HydrophobicContact CD2-CB 4.23Å; F51-P61 HydrophobicContact CD2-CG 3.6Å; F51-P61 HydrophobicContact CE2-CG 4.02Å; F51-P61 HydrophobicContact CG-CB 4.06Å; F51-P61 HydrophobicContact CG-CG 3.95Å; P61-F83 HydrophobicContact CG-CD1 4.04Å; P61-F83 HydrophobicContact CG-CE1 3.77Å; P61-I102 HydrophobicContact CB-CD1 4.21Å; P61-I102 HydrophobicContact CG-CD1 3.53Å; P61-I102 HydrophobicContact CG-CG1 4.25Å
62V91.2Very high89.8Confident56 Ų5676.7 Ų76.734%0.33940%0.404SS..THydrogen-bonded Turntrans-88.6-52.2-177.4-176.70000111.3C60 R64 F83 A87 L91 L101C60-V62 PolarHBondContact O-N 2.85Å; V62-R64 VanDerWaalsContact C-N 3.34Å; V62-F83 HydrophobicContact CG2-CD1 4.03Å; V62-F83 HydrophobicContact CG2-CE1 3.85Å; V62-A87 HydrophobicContact CB-CB 4.4Å; V62-L91 HydrophobicContact CG1-CD1 3.53Å; V62-L101 HydrophobicContact CG2-CB 3.72Å; V62-L101 HydrophobicContact CG2-CD1 3.99Å; V62-L101 HydrophobicContact CG2-CG 4.48Å
63T90.8Very high90Very high47 Ų4770.2 Ų70.229%0.28838%0.377SS..THydrogen-bonded Turntrans-83.4-11.8-179.359.80000113.1C60 R65 S84 A87C60-T63 WeakPolarHBondContact CB-OG1 3.49Å; C60-T63 PolarHBondContact SG-OG1 2.83Å; T63-R65 PolarHBondContact O-N 2.95Å; T63-R65 VanDerWaalsContact O-N 3.09Å; T63-S84 PolarHBondContact OG1-OG 3.35Å; T63-S84 VanDerWaalsContact OG1-OG 3.08Å; T63-A87 HydrophobicContact CG2-CB 3.64Å
64R90Very high90.2Very high182 Ų18269.5 Ų69.569%0.68737%0.373SS*.  trans54.222.7-175.1-64-175.5-177.4173.91113.8W59 C60 V62W59-R64 HydrophobicContact CE3-CB 3.88Å; W59-R64 HydrophobicContact CE3-CG 4.36Å; W59-R64 HydrophobicContact CH2-CB 4.14Å; W59-R64 HydrophobicContact CH2-CG 3.83Å; W59-R64 HydrophobicContact CZ2-CG 4.5Å; W59-R64 HydrophobicContact CZ3-CB 3.52Å; W59-R64 HydrophobicContact CZ3-CG 3.75Å; C60-R64 WeakPolarHBondContact O-CA 3.27Å; C60-R64 PolarHBondContact O-N 3.44Å; V62-R64 VanDerWaalsContact C-N 3.34Å
65R90.8Very high90.4Very high146 Ų14663.6 Ų63.655%0.55133%0.334SS*.PPolyproline II helixtrans-90.6134.4175.9-68-178.2176.8-165.8-6.5110.1W59 C60 T63 E86W59-R65 WeakPolarHBondContact CA-O 3.47Å; W59-R65 WeakPolarHBondContact CB-O 3.47Å; C60-R65 PolarHBondContact N-O 3.24Å; T63-R65 PolarHBondContact O-N 2.95Å; T63-R65 VanDerWaalsContact O-N 3.09Å; R65-E86 IonicContact CZ-OE2 2.8Å; R65-E86 IonicContact NE-OE2 3.28Å; R65-E86 IonicContact NH1-OE1 3.56Å; R65-E86 PolarHBondContact NH1-OE1 2.88Å; R65-E86 IonicContact NH1-OE2 2.79Å; R65-E86 PolarHBondContact NH1-OE2 2.72Å
66I91.8Very high90.6Very high76 Ų7657.2 Ų57.239%0.3930%0.3SS..BIsolated β-bridgetrans-71.9139.3176.8-59.5163.3000108.8E57 W59 T68E57-I66 HydrophobicContact CB-CG2 4.28Å; W59-I66 HydrophobicContact CB-CG1 4.48Å; I66-T68 PolarHBondContact O-N 2.92Å
67F90.5Very high90.9Very high33 Ų3361 Ų6115%0.14530%0.302CS..PPolyproline II helixtrans-75.8122.8175.2-63.1-55.9000110.6P58 W59 C60 V73 V82P58-F67 HydrophobicContact CB-CD2 4.06Å; P58-F67 WeakPolarHBondContact O-CD2 3.4Å; P58-F67 PolarHBondContact O-N 2.93Å; W59-F67 WeakPolarHBondContact O-CE2 3.32Å; C60-F67 HydrophobicContact CB-CE1 4.06Å; C60-F67 HydrophobicContact CB-CZ 3.87Å; F67-V73 HydrophobicContact CB-CG2 4.41Å; F67-V73 HydrophobicContact CD1-CB 4.42Å; F67-V73 HydrophobicContact CD1-CG1 4.13Å; F67-V73 HydrophobicContact CD1-CG2 3.49Å; F67-V73 VanDerWaalsContact CD1-CG2 3.49Å; F67-V73 HydrophobicContact CE1-CB 4.44Å; F67-V73 HydrophobicContact CE1-CG1 3.9Å; F67-V73 HydrophobicContact CE1-CG2 3.94Å; F67-V73 HydrophobicContact CG-CG2 4.09Å; F67-V73 HydrophobicContact CZ-CG1 4.12Å; F67-V82 HydrophobicContact CE2-CG1 3.96Å; F67-V82 HydrophobicContact CZ-CG1 3.94Å
68T89.2Confident91.1Very high66 Ų6660 Ų6041%0.40530%0.302SS..  trans-107.9169.1175.968.50000111.3I66 S70 S71 Q116I66-T68 PolarHBondContact O-N 2.92Å; T68-S70 PolarHBondContact O-N 2.88Å; T68-S70 PolarHBondContact OG1-N 2.86Å; T68-S70 PolarHBondContact OG1-OG 2.84Å; T68-S71 PolarHBondContact N-OG 3.01Å; T68-S71 WeakPolarHBondContact O-CB 3.44Å; T68-S71 PolarHBondContact O-N 2.8Å; T68-S71 PolarHBondContact OG1-N 2.82Å; T68-S71 PolarHBondContact OG1-OG 3.32Å; T68-Q116 PolarHBondContact O-NE2 2.67Å
69N83.6Confident91.3Very high164 Ų16458.6 Ų58.688%0.87729%0.292SS*.THydrogen-bonded Turntrans-60.6-15.5174.8-65.3-4.9000114Q116N69-Q116 PolarHBondContact O-NE2 3.25Å
70S87.3Confident91.3Very high86 Ų8655.8 Ų55.860%0.60128%0.282SS*.THydrogen-bonded Turntrans-1105.6176.563.70000113T68 P118T68-S70 PolarHBondContact O-N 2.88Å; T68-S70 PolarHBondContact OG1-N 2.86Å; T68-S70 PolarHBondContact OG1-OG 2.84Å; S70-P118 WeakPolarHBondContact O-CB 3.48Å; S70-P118 WeakPolarHBondContact O-CG 3.46Å
71S89.8Confident91.4Very high27 Ų2756.7 Ų56.719%0.18929%0.286CS..  trans-76.6142.2179.7-66.80000111T68 Q116T68-S71 PolarHBondContact N-OG 3.01Å; T68-S71 WeakPolarHBondContact O-CB 3.44Å; T68-S71 PolarHBondContact O-N 2.8Å; T68-S71 PolarHBondContact OG1-N 2.82Å; T68-S71 PolarHBondContact OG1-OG 3.32Å; S71-Q116 WeakPolarHBondContact O-CG 3.47Å; S71-Q116 PolarHBondContact O-NE2 2.8Å
72H92.5Very high91.5Very high35 Ų3555 Ų5516%0.16228%0.275CS..  trans-87.1113.1171.3-160-62.7000109.3Y85 Q116 D117 P118H72-Y85 AromaticContact CE1-CD2 3.5Å; H72-Y85 VanDerWaalsContact CE1-CD2 3.5Å; H72-Y85 WeakPolarHBondContact CE1-CD2 3.47Å; H72-Y85 AromaticContact CE1-CG 3.67Å; H72-Y85 WeakPolarHBondContact ND1-CB 3.28Å; H72-Y85 AromaticContact ND1-CD2 3.62Å; H72-Y85 AromaticContact ND1-CG 3.36Å; H72-Y85 PolarHBondContact O-N 2.78Å; H72-Q116 CarbonylContact C-O 3.52Å; H72-Q116 WeakPolarHBondContact CA-O 3.19Å; H72-D117 IonicContact CD2-OD1 2.88Å; H72-D117 PolarHBondContact CD2-OD1 2.73Å; H72-D117 IonicContact CD2-OD2 3.26Å; H72-D117 IonicContact CE1-OD2 3.38Å; H72-D117 IonicContact NE2-OD1 3.91Å; H72-D117 PolarHBondContact NE2-OD1 3.39Å; H72-D117 IonicContact NE2-OD2 2.61Å; H72-D117 PolarHBondContact NE2-OD2 3.33Å; H72-P118 HydrophobicContact CB-CG 4.37Å
73V93.6Very high91.7Very high8 Ų852.4 Ų52.45%0.04826%0.259CS..EExtended strand (participates in β ladder)trans-122.5135-166.7-171.70000110.6F67 V82 L115 Q116F67-V73 HydrophobicContact CB-CG2 4.41Å; F67-V73 HydrophobicContact CD1-CB 4.42Å; F67-V73 HydrophobicContact CD1-CG1 4.13Å; F67-V73 HydrophobicContact CD1-CG2 3.49Å; F67-V73 VanDerWaalsContact CD1-CG2 3.49Å; F67-V73 HydrophobicContact CE1-CB 4.44Å; F67-V73 HydrophobicContact CE1-CG1 3.9Å; F67-V73 HydrophobicContact CE1-CG2 3.94Å; F67-V73 HydrophobicContact CG-CG2 4.09Å; F67-V73 HydrophobicContact CZ-CG1 4.12Å; V73-V82 HydrophobicContact CG1-CG1 3.38Å; V73-L115 HydrophobicContact CG1-CD1 4.33Å; V73-L115 PolarHBondContact O-N 3.31Å; V73-Q116 HydrophobicContact CB-CB 4.04Å; V73-Q116 HydrophobicContact CG2-CB 4.22Å; V73-Q116 PolarHBondContact N-O 3.21Å; V73-Q116 PolarHBondContact O-N 3.13Å; V73-Q116 VanDerWaalsContact O-N 3.11Å
74V93.9Very high91.9Very high0 Ų050.6 Ų50.60%025%0.249CC..EExtended strand (participates in β ladder)trans-135.6145.9-172.11750000109.8V82 F83 Y85 I112 I113 V114V74-V82 CarbonylContact O-C 3.59Å; V74-V82 WeakPolarHBondContact O-CA 3.4Å; V74-F83 PolarHBondContact N-O 3.01Å; V74-F83 PolarHBondContact O-N 2.84Å; V74-Y85 HydrophobicContact CG2-CD2 3.67Å; V74-Y85 HydrophobicContact CG2-CG 4.18Å; V74-I112 HydrophobicContact CG1-CG2 3.24Å; V74-I113 CarbonylContact C-O 3.59Å; V74-I113 VanDerWaalsContact CA-O 3.31Å; V74-I113 WeakPolarHBondContact CA-O 3.3Å; V74-I113 WeakPolarHBondContact CG1-O 3.44Å; V74-V114 HydrophobicContact CG2-CG2 4.5Å
75A93.8Very high92.1Very high0 Ų045.1 Ų45.10%023%0.229CC..EExtended strand (participates in β ladder)trans-118.5149.3169.400000111.2L48 H81 V82 I113 L115L48-A75 HydrophobicContact CD2-CB 3.48Å; L48-A75 VanDerWaalsContact CD2-CB 3.48Å; A75-H81 WeakPolarHBondContact CA-O 3.35Å; A75-V82 HydrophobicContact CB-CG2 4.18Å; A75-I113 PolarHBondContact N-O 2.7Å; A75-I113 PolarHBondContact O-N 3.16Å; A75-L115 HydrophobicContact CB-CD1 3.93Å; A75-L115 HydrophobicContact CB-CD2 4.42Å; A75-L115 HydrophobicContact CB-CG 4.13Å
76I94.7Very high92.2Very high0 Ų042.7 Ų42.70%022%0.223CC..EExtended strand (participates in β ladder)trans-92.2124.7170.4-58.9178.8000108.4T78 G80 H81 F83 I88 D100 F107I76-T78 VanDerWaalsContact C-N 3.32Å; I76-T78 VanDerWaalsContact CG2-OG1 3.3Å; I76-T78 WeakPolarHBondContact CG2-OG1 3.27Å; I76-T78 PolarHBondContact O-N 2.98Å; I76-G80 WeakPolarHBondContact O-CA 3.27Å; I76-G80 PolarHBondContact O-N 2.91Å; I76-H81 PolarHBondContact N-O 2.88Å; I76-F83 HydrophobicContact CD1-CD2 3.99Å; I76-F83 HydrophobicContact CD1-CE2 3.58Å; I76-F83 HydrophobicContact CG1-CD2 4.13Å; I76-F83 HydrophobicContact CG1-CE2 4.07Å; I76-I88 HydrophobicContact CD1-CD1 4.01Å; I76-I88 HydrophobicContact CG1-CD1 4.35Å; I76-D100 HydrophobicContact CD1-CB 4.15Å; I76-F107 HydrophobicContact CD1-CD1 3.97Å; I76-F107 HydrophobicContact CD1-CE1 3.53Å; I76-F107 HydrophobicContact CD1-CZ 3.84Å; I76-F107 HydrophobicContact CG1-CE1 4.44Å; I76-F107 HydrophobicContact CG1-CZ 4.4Å; I76-F107 HydrophobicContact CG2-CB 3.94Å; I76-F107 HydrophobicContact CG2-CD1 3.99Å; I76-F107 HydrophobicContact CG2-CD2 4.17Å; I76-F107 HydrophobicContact CG2-CG 3.8Å
77R92.5Very high92.3Very high121 Ų12139.2 Ų39.246%0.45721%0.206SC..THydrogen-bonded Turntrans-61.3-35.8-176.7-172.1174.768.389.2-4.8113.7T46 D111 I113T46-R77 VanDerWaalsContact CG2-O 3.29Å; T46-R77 WeakPolarHBondContact CG2-O 3.48Å; R77-D111 HydrophobicContact CB-CB 3.96Å; R77-D111 VanDerWaalsContact CB-O 3.23Å; R77-D111 WeakPolarHBondContact CB-O 3.43Å; R77-D111 IonicContact CZ-OD1 3.05Å; R77-D111 PolarHBondContact N-O 3.36Å; R77-D111 IonicContact NE-OD1 3.02Å; R77-D111 PolarHBondContact NE-OD1 2.99Å; R77-D111 IonicContact NH2-OD1 2.69Å; R77-D111 PolarHBondContact NH2-OD1 2.81Å; R77-I113 HydrophobicContact CB-CD1 3.79Å; R77-I113 HydrophobicContact CB-CG1 4.2Å; R77-I113 HydrophobicContact CG-CD1 3.99Å
78T91.8Very high92.4Very high66 Ų6637.6 Ų37.641%0.40520%0.199SC..THydrogen-bonded Turntrans-73.1-38.1-174.952.10000112.8I76 F107I76-T78 VanDerWaalsContact C-N 3.32Å; I76-T78 VanDerWaalsContact CG2-OG1 3.3Å; I76-T78 WeakPolarHBondContact CG2-OG1 3.27Å; I76-T78 PolarHBondContact O-N 2.98Å; T78-F107 HydrophobicContact CG2-CB 4.14Å
79T93.7Very high92.6Very high23 Ų2337.6 Ų37.614%0.14119%0.194CC..THydrogen-bonded Turntrans-105.3-22.7-176.756.90000113.3H81 D100 V105T79-H81 PolarHBondContact O-N 2.82Å; T79-H81 PolarHBondContact OG1-N 3.13Å; T79-D100 WeakPolarHBondContact CB-OD2 3.24Å; T79-D100 HydrophobicContact CG2-CB 4.03Å; T79-D100 WeakPolarHBondContact CG2-OD2 3.39Å; T79-D100 PolarHBondContact OG1-OD2 3.08Å; T79-V105 HydrophobicContact CG2-CB 3.74Å; T79-V105 HydrophobicContact CG2-CG1 4.02Å; T79-V105 HydrophobicContact CG2-CG2 4.13Å
80G91.5Very high93.1Very high1 Ų134.6 Ų34.61%0.0118%0.175CC..  trans75.80.6-171.800000114K47 L48 I49 I76K47-G80 VanDerWaalsContact O-CA 3.25Å; K47-G80 WeakPolarHBondContact O-CA 3.39Å; L48-G80 WeakPolarHBondContact CA-O 3.29Å; I49-G80 PolarHBondContact N-O 2.86Å; I76-G80 WeakPolarHBondContact O-CA 3.27Å; I76-G80 PolarHBondContact O-N 2.91Å
81H94.8Very high93.3Very high19 Ų1934.2 Ų34.29%0.08817%0.166CC..BIsolated β-bridgetrans-67.7136.1-179.3-66.4157.7000111.4F51 A75 I76 T79 F83 D100 I102F51-H81 HydrophobicContact CE2-CB 4.1Å; F51-H81 AromaticContact CE2-CD2 3.78Å; F51-H81 AromaticContact CE2-CG 3.98Å; F51-H81 AromaticContact CZ-CD2 3.66Å; F51-H81 AromaticContact CZ-NE2 3.9Å; A75-H81 WeakPolarHBondContact CA-O 3.35Å; I76-H81 PolarHBondContact N-O 2.88Å; T79-H81 PolarHBondContact O-N 2.82Å; T79-H81 PolarHBondContact OG1-N 3.13Å; H81-F83 HydrophobicContact CB-CD2 4.31Å; H81-F83 HydrophobicContact CB-CE2 3.42Å; H81-F83 VanDerWaalsContact CB-CE2 3.42Å; H81-F83 HydrophobicContact CB-CZ 3.71Å; H81-D100 IonicContact CE1-OD2 3.58Å; H81-D100 IonicContact CG-OD2 2.57Å; H81-D100 IonicContact ND1-OD1 3.03Å; H81-D100 PolarHBondContact ND1-OD1 2.75Å; H81-D100 IonicContact ND1-OD2 3.22Å; H81-D100 PolarHBondContact ND1-OD2 3.07Å; H81-I102 HydrophobicContact CB-CD1 4.45Å
82V94.2Very high93.4Very high0 Ų033 Ų330%016%0.157CC..EExtended strand (participates in β ladder)trans-101.2130.2-179.7-175.80000110.7L48 I49 L50 F67 V73 V74 A75 L115L48-V82 HydrophobicContact CB-CG2 4.22Å; L48-V82 HydrophobicContact CD2-CG2 4.25Å; I49-V82 PolarHBondContact O-N 2.89Å; L50-V82 HydrophobicContact CD2-CB 3.89Å; L50-V82 HydrophobicContact CD2-CG1 3.93Å; L50-V82 HydrophobicContact CD2-CG2 3.74Å; L50-V82 HydrophobicContact CG-CG2 4.26Å; F67-V82 HydrophobicContact CE2-CG1 3.96Å; F67-V82 HydrophobicContact CZ-CG1 3.94Å; V73-V82 HydrophobicContact CG1-CG1 3.38Å; V74-V82 CarbonylContact O-C 3.59Å; V74-V82 WeakPolarHBondContact O-CA 3.4Å; A75-V82 HydrophobicContact CB-CG2 4.18Å; V82-L115 HydrophobicContact CG1-CD1 4.14Å; V82-L115 HydrophobicContact CG2-CD1 4.17Å
83F95.3Very high93.4Very high0 Ų033 Ų330%016%0.158CC..EExtended strand (participates in β ladder)trans-130.9159.8-178.7-60-79.9000111.1P61 V62 V74 I76 H81 I88 L101 I102P61-F83 HydrophobicContact CG-CD1 4.04Å; P61-F83 HydrophobicContact CG-CE1 3.77Å; V62-F83 HydrophobicContact CG2-CD1 4.03Å; V62-F83 HydrophobicContact CG2-CE1 3.85Å; V74-F83 PolarHBondContact N-O 3.01Å; V74-F83 PolarHBondContact O-N 2.84Å; I76-F83 HydrophobicContact CD1-CD2 3.99Å; I76-F83 HydrophobicContact CD1-CE2 3.58Å; I76-F83 HydrophobicContact CG1-CD2 4.13Å; I76-F83 HydrophobicContact CG1-CE2 4.07Å; H81-F83 HydrophobicContact CB-CD2 4.31Å; H81-F83 HydrophobicContact CB-CE2 3.42Å; H81-F83 VanDerWaalsContact CB-CE2 3.42Å; H81-F83 HydrophobicContact CB-CZ 3.71Å; F83-I88 HydrophobicContact CB-CD1 4.18Å; F83-I88 HydrophobicContact CB-CG1 3.88Å; F83-I88 HydrophobicContact CD2-CD1 3.9Å; F83-I88 HydrophobicContact CD2-CG1 4.44Å; F83-I88 HydrophobicContact CG-CD1 4.13Å; F83-I88 HydrophobicContact CG-CG1 4.37Å; F83-L101 HydrophobicContact CD1-CD1 4.32Å; F83-L101 HydrophobicContact CE1-CB 3.91Å; F83-L101 HydrophobicContact CE1-CD1 4.43Å; F83-L101 HydrophobicContact CZ-CB 4.09Å; F83-I102 HydrophobicContact CE1-CD1 3.67Å; F83-I102 HydrophobicContact CE1-CG1 3.77Å; F83-I102 HydrophobicContact CZ-CD1 3.62Å; F83-I102 HydrophobicContact CZ-CG1 3.75Å
84S94.2Very high93.4Very high10 Ų1038.4 Ų38.47%0.0718%0.181CC..EExtended strand (participates in β ladder)trans-70.5138.5162.855.30000109.3C60 T63 E86 A87 I88C60-S84 PolarHBondContact SG-N 2.87Å; C60-S84 VanDerWaalsContact SG-N 3.37Å; C60-S84 PolarHBondContact SG-OG 2.77Å; T63-S84 PolarHBondContact OG1-OG 3.35Å; T63-S84 VanDerWaalsContact OG1-OG 3.08Å; S84-E86 PolarHBondContact O-N 2.84Å; S84-A87 WeakPolarHBondContact O-CB 3.14Å; S84-A87 PolarHBondContact O-N 3.49Å; S84-I88 PolarHBondContact O-N 2.73Å
85Y94.2Very high93.3Very high67 Ų6742.1 Ų42.126%0.26321%0.205SC..Hα-helixtrans-55.4-37.4177.6178.1-89.7000112.2H72 V74 A87 I88 E89 L93H72-Y85 AromaticContact CE1-CD2 3.5Å; H72-Y85 VanDerWaalsContact CE1-CD2 3.5Å; H72-Y85 WeakPolarHBondContact CE1-CD2 3.47Å; H72-Y85 AromaticContact CE1-CG 3.67Å; H72-Y85 WeakPolarHBondContact ND1-CB 3.28Å; H72-Y85 AromaticContact ND1-CD2 3.62Å; H72-Y85 AromaticContact ND1-CG 3.36Å; H72-Y85 PolarHBondContact O-N 2.78Å; V74-Y85 HydrophobicContact CG2-CD2 3.67Å; V74-Y85 HydrophobicContact CG2-CG 4.18Å; Y85-A87 PolarHBondContact O-N 2.73Å; Y85-I88 PolarHBondContact O-N 2.84Å; Y85-I88 VanDerWaalsContact O-N 3.16Å; Y85-E89 HydrophobicContact CD1-CB 4.2Å; Y85-E89 HydrophobicContact CE1-CB 3.91Å; Y85-E89 VanDerWaalsContact CE1-CD 3.42Å; Y85-E89 HydrophobicContact CE1-CG 4.15Å; Y85-E89 WeakPolarHBondContact CE1-OE1 3.23Å; Y85-E89 VanDerWaalsContact O-CB 3.29Å; Y85-E89 WeakPolarHBondContact O-CB 3.4Å; Y85-E89 PolarHBondContact O-N 3.49Å; Y85-E89 PolarHBondContact OH-OE1 3.24Å; Y85-L93 HydrophobicContact CE2-CD1 4.46Å
86E92.9Very high93.2Very high94 Ų9449.9 Ų49.944%0.43924%0.239SC..Hα-helixtrans-52.1-38.9173.6-62179.6159.700112.6R65 S84 E90R65-E86 IonicContact CZ-OE2 2.8Å; R65-E86 IonicContact NE-OE2 3.28Å; R65-E86 IonicContact NH1-OE1 3.56Å; R65-E86 PolarHBondContact NH1-OE1 2.88Å; R65-E86 IonicContact NH1-OE2 2.79Å; R65-E86 PolarHBondContact NH1-OE2 2.72Å; S84-E86 PolarHBondContact O-N 2.84Å; E86-E90 WeakPolarHBondContact O-CB 3.4Å; E86-E90 VanDerWaalsContact O-CG 3.3Å; E86-E90 WeakPolarHBondContact O-CG 3.18Å; E86-E90 PolarHBondContact O-N 3Å
87A93.8Very high93Very high3 Ų353.8 Ų53.83%0.02526%0.257CS..Hα-helixtrans-71-45.7-178.700000110.9V62 T63 S84 Y85 E89 L91 L101V62-A87 HydrophobicContact CB-CB 4.4Å; T63-A87 HydrophobicContact CG2-CB 3.64Å; S84-A87 WeakPolarHBondContact O-CB 3.14Å; S84-A87 PolarHBondContact O-N 3.49Å; Y85-A87 PolarHBondContact O-N 2.73Å; A87-E89 VanDerWaalsContact C-N 3.3Å; A87-E89 PolarHBondContact O-N 2.98Å; A87-L91 VanDerWaalsContact O-CB 3.23Å; A87-L91 WeakPolarHBondContact O-CB 3.31Å; A87-L91 WeakPolarHBondContact O-CG 3.23Å; A87-L91 PolarHBondContact O-N 2.77Å; A87-L101 HydrophobicContact CB-CD1 4.16Å
88I93.8Very high93Very high0 Ų051.5 Ų51.50%025%0.249CC..Hα-helixtrans-66.2-36.4177.5-64.7-65.2000110.6I76 F83 S84 Y85 N92 L93 L101 I112I76-I88 HydrophobicContact CD1-CD1 4.01Å; I76-I88 HydrophobicContact CG1-CD1 4.35Å; F83-I88 HydrophobicContact CB-CD1 4.18Å; F83-I88 HydrophobicContact CB-CG1 3.88Å; F83-I88 HydrophobicContact CD2-CD1 3.9Å; F83-I88 HydrophobicContact CD2-CG1 4.44Å; F83-I88 HydrophobicContact CG-CD1 4.13Å; F83-I88 HydrophobicContact CG-CG1 4.37Å; S84-I88 PolarHBondContact O-N 2.73Å; Y85-I88 PolarHBondContact O-N 2.84Å; Y85-I88 VanDerWaalsContact O-N 3.16Å; I88-N92 HydrophobicContact CG2-CB 4.35Å; I88-N92 CarbonylContact O-C 3.6Å; I88-N92 WeakPolarHBondContact O-CA 3.36Å; I88-N92 VanDerWaalsContact O-CB 3.26Å; I88-N92 WeakPolarHBondContact O-CB 3.34Å; I88-N92 PolarHBondContact O-N 3.24Å; I88-L93 HydrophobicContact CG2-CD1 4.44Å; I88-L93 HydrophobicContact CG2-CG 4.27Å; I88-L93 PolarHBondContact O-N 3.16Å; I88-L101 HydrophobicContact CD1-CD1 3.96Å; I88-I112 HydrophobicContact CG2-CD1 4Å
89E93.6Very high93Very high65 Ų6552.7 Ų52.730%0.30425%0.248SC..Iπ-helixtrans-66.2-52178.7-174.2169.4-125.200111.5Y85 A87 L93 K94Y85-E89 HydrophobicContact CD1-CB 4.2Å; Y85-E89 HydrophobicContact CE1-CB 3.91Å; Y85-E89 VanDerWaalsContact CE1-CD 3.42Å; Y85-E89 HydrophobicContact CE1-CG 4.15Å; Y85-E89 WeakPolarHBondContact CE1-OE1 3.23Å; Y85-E89 VanDerWaalsContact O-CB 3.29Å; Y85-E89 WeakPolarHBondContact O-CB 3.4Å; Y85-E89 PolarHBondContact O-N 3.49Å; Y85-E89 PolarHBondContact OH-OE1 3.24Å; A87-E89 VanDerWaalsContact C-N 3.3Å; A87-E89 PolarHBondContact O-N 2.98Å; E89-L93 HydrophobicContact CB-CD1 4.49Å; E89-L93 PolarHBondContact O-N 2.96Å; E89-K94 WeakPolarHBondContact O-CB 3.44Å; E89-K94 WeakPolarHBondContact O-CG 3.44Å; E89-K94 PolarHBondContact O-N 3.41Å
90E93.2Very high93Very high101 Ų10151.6 Ų51.647%0.47224%0.242SC..Iπ-helixtrans-71.7-38.5-178-64.9-63.2161.200113.2E86 K94 P95E86-E90 WeakPolarHBondContact O-CB 3.4Å; E86-E90 VanDerWaalsContact O-CG 3.3Å; E86-E90 WeakPolarHBondContact O-CG 3.18Å; E86-E90 PolarHBondContact O-N 3Å; E90-K94 WeakPolarHBondContact OE1-CE 3.38Å; E90-K94 IonicContact OE1-NZ 2.83Å; E90-K94 PolarHBondContact OE1-NZ 3.22Å; E90-K94 VanDerWaalsContact OE2-CD 3.32Å; E90-K94 WeakPolarHBondContact OE2-CD 3.26Å; E90-K94 WeakPolarHBondContact OE2-CE 3.48Å; E90-K94 IonicContact OE2-NZ 3.02Å; E90-K94 PolarHBondContact OE2-NZ 3.13Å; E90-P95 WeakPolarHBondContact O-CD 3.36Å
91L92.1Very high92.9Very high79 Ų7953.9 Ų53.941%0.41425%0.253SS..Iπ-helixtrans-101.4-19.2-170.1-58.8172000114.3V62 A87 P95 L101V62-L91 HydrophobicContact CG1-CD1 3.53Å; A87-L91 VanDerWaalsContact O-CB 3.23Å; A87-L91 WeakPolarHBondContact O-CB 3.31Å; A87-L91 WeakPolarHBondContact O-CG 3.23Å; A87-L91 PolarHBondContact O-N 2.77Å; L91-P95 WeakPolarHBondContact O-CG 3.42Å; L91-L101 HydrophobicContact CB-CD1 4.31Å; L91-L101 HydrophobicContact CB-CD2 3.66Å; L91-L101 HydrophobicContact CD1-CD1 4.03Å; L91-L101 HydrophobicContact CD1-CD2 3.96Å; L91-L101 HydrophobicContact CG-CD2 4.47Å
92N92.4Very high92.8Very high0 Ų056.5 Ų56.50%027%0.267CS..Iπ-helixtrans-117.6-55.2179.6-60.662.9000112.1I88 K96 H97 K99 L101 F107I88-N92 HydrophobicContact CG2-CB 4.35Å; I88-N92 CarbonylContact O-C 3.6Å; I88-N92 WeakPolarHBondContact O-CA 3.36Å; I88-N92 VanDerWaalsContact O-CB 3.26Å; I88-N92 WeakPolarHBondContact O-CB 3.34Å; I88-N92 PolarHBondContact O-N 3.24Å; N92-K96 CarbonylContact O-C 3.46Å; N92-K96 WeakPolarHBondContact O-CA 3.27Å; N92-K96 PolarHBondContact O-N 2.85Å; N92-H97 VanDerWaalsContact CA-O 3.3Å; N92-H97 WeakPolarHBondContact CA-O 3.37Å; N92-H97 WeakPolarHBondContact CB-O 3.14Å; N92-H97 PolarHBondContact ND2-O 2.93Å; N92-H97 VanDerWaalsContact ND2-O 3.08Å; N92-H97 PolarHBondContact O-N 2.76Å; N92-K99 PolarHBondContact ND2-O 2.59Å; N92-L101 WeakPolarHBondContact OD1-CD2 3.46Å; N92-L101 WeakPolarHBondContact OD1-CG 3.27Å; N92-F107 HydrophobicContact CB-CZ 4.26Å; N92-F107 VanDerWaalsContact ND2-CE1 3.25Å; N92-F107 WeakPolarHBondContact ND2-CE1 3.37Å; N92-F107 WeakPolarHBondContact ND2-CZ 3.37Å
93L91.8Very high92.7Very high35 Ų3560 Ų6018%0.18329%0.286CS..Iπ-helixtrans-70.6-50.5-171.9-65.2176.2000112.5Y85 I88 E89 K96 Y98 K109 I112Y85-L93 HydrophobicContact CE2-CD1 4.46Å; I88-L93 HydrophobicContact CG2-CD1 4.44Å; I88-L93 HydrophobicContact CG2-CG 4.27Å; I88-L93 PolarHBondContact O-N 3.16Å; E89-L93 HydrophobicContact CB-CD1 4.49Å; E89-L93 PolarHBondContact O-N 2.96Å; L93-K96 PolarHBondContact O-N 2.82Å; L93-Y98 HydrophobicContact CD2-CE1 4.03Å; L93-K109 HydrophobicContact CD2-CD 4.37Å; L93-K109 HydrophobicContact CD2-CG 4.2Å; L93-I112 HydrophobicContact CD2-CD1 3.82Å; L93-I112 HydrophobicContact CG-CD1 4.5Å
94K93.7Very high92.4Very high122 Ų12264.8 Ų64.853%0.5331%0.312SS..THydrogen-bonded Turntrans-62.3-50.5178.7-73.2-175.8-168.7179.60113.2E89 E90 K96E89-K94 WeakPolarHBondContact O-CB 3.44Å; E89-K94 WeakPolarHBondContact O-CG 3.44Å; E89-K94 PolarHBondContact O-N 3.41Å; E90-K94 WeakPolarHBondContact OE1-CE 3.38Å; E90-K94 IonicContact OE1-NZ 2.83Å; E90-K94 PolarHBondContact OE1-NZ 3.22Å; E90-K94 VanDerWaalsContact OE2-CD 3.32Å; E90-K94 WeakPolarHBondContact OE2-CD 3.26Å; E90-K94 WeakPolarHBondContact OE2-CE 3.48Å; E90-K94 IonicContact OE2-NZ 3.02Å; E90-K94 PolarHBondContact OE2-NZ 3.13Å; K94-K96 PolarHBondContact O-N 3.31Å
95P91.9Very high92.5Very high78 Ų7866.9 Ų66.951%0.50632%0.324SS..THydrogen-bonded Turntrans-78-4.9177.530-36000113.7E90 L91 H97E90-P95 WeakPolarHBondContact O-CD 3.36Å; L91-P95 WeakPolarHBondContact O-CG 3.42Å; P95-H97 HydrophobicContact CG-CB 4.36Å; P95-H97 PolarHBondContact O-N 2.98Å
96K90.8Very high92.5Very high164 Ų16468.4 Ų68.471%0.71334%0.342SS*.THydrogen-bonded Turntrans57.733.8-173.7-57.3178.6179.6176.10113.4N92 L93 K94 Y98N92-K96 CarbonylContact O-C 3.46Å; N92-K96 WeakPolarHBondContact O-CA 3.27Å; N92-K96 PolarHBondContact O-N 2.85Å; L93-K96 PolarHBondContact O-N 2.82Å; K94-K96 PolarHBondContact O-N 3.31Å; K96-Y98 HydrophobicContact CB-CE2 4.29Å
97H91Very high92.6Very high82 Ų8264.5 Ų64.538%0.3832%0.323SS..  trans-101.996.6178.4-174.9-98.6000110.5N92 P95 K99N92-H97 VanDerWaalsContact CA-O 3.3Å; N92-H97 WeakPolarHBondContact CA-O 3.37Å; N92-H97 WeakPolarHBondContact CB-O 3.14Å; N92-H97 PolarHBondContact ND2-O 2.93Å; N92-H97 VanDerWaalsContact ND2-O 3.08Å; N92-H97 PolarHBondContact O-N 2.76Å; P95-H97 HydrophobicContact CG-CB 4.36Å; P95-H97 PolarHBondContact O-N 2.98Å; H97-K99 PolarHBondContact O-N 3.27Å
98Y92.3Very high92.5Very high73 Ų7368.3 Ų68.329%0.28635%0.347SS..  trans-94.464.4-173.6-57.8-85.2000113.1L93 K96 P106 F107 K109L93-Y98 HydrophobicContact CD2-CE1 4.03Å; K96-Y98 HydrophobicContact CB-CE2 4.29Å; Y98-P106 WeakPolarHBondContact O-CA 3.42Å; Y98-F107 WeakPolarHBondContact CB-O 3.46Å; Y98-F107 HydrophobicContact CD1-CE2 4.14Å; Y98-F107 PolarHBondContact O-N 2.7Å; Y98-K109 HydrophobicContact CE1-CB 3.91Å; Y98-K109 HydrophobicContact CE1-CG 4.39Å
99K92.9Very high92.4Very high90 Ų9075 Ų7539%0.39138%0.376SS..BIsolated β-bridgetrans-125.1141.2169.4-59-172.7-173.41730110N92 H97 L101 D104 F107N92-K99 PolarHBondContact ND2-O 2.59Å; H97-K99 PolarHBondContact O-N 3.27Å; K99-L101 PolarHBondContact O-N 2.84Å; K99-D104 HydrophobicContact CD-CB 4.37Å; K99-F107 WeakPolarHBondContact O-CE1 3.47Å
100D92.6Very high92.2Very high0 Ų075.1 Ų75.10%039%0.394CS..  trans-55.8134.6178.2-177.5-57000110I76 T79 H81 I102 N103 D104 V105I76-D100 HydrophobicContact CD1-CB 4.15Å; T79-D100 WeakPolarHBondContact CB-OD2 3.24Å; T79-D100 HydrophobicContact CG2-CB 4.03Å; T79-D100 WeakPolarHBondContact CG2-OD2 3.39Å; T79-D100 PolarHBondContact OG1-OD2 3.08Å; H81-D100 IonicContact CE1-OD2 3.58Å; H81-D100 IonicContact CG-OD2 2.57Å; H81-D100 IonicContact ND1-OD1 3.03Å; H81-D100 PolarHBondContact ND1-OD1 2.75Å; H81-D100 IonicContact ND1-OD2 3.22Å; H81-D100 PolarHBondContact ND1-OD2 3.07Å; D100-I102 PolarHBondContact O-N 3.27Å; D100-I102 VanDerWaalsContact O-N 3.1Å; D100-I102 WeakPolarHBondContact OD1-CB 3.29Å; D100-I102 PolarHBondContact OD1-N 3.13Å; D100-N103 WeakPolarHBondContact CB-OD1 3.47Å; D100-N103 VanDerWaalsContact CG-OD1 3.23Å; D100-N103 PolarHBondContact OD1-N 3.42Å; D100-N103 PolarHBondContact OD1-OD1 2.74Å; D100-D104 VanDerWaalsContact O-CA 3.32Å; D100-D104 WeakPolarHBondContact O-CA 3.36Å; D100-D104 PolarHBondContact O-N 2.8Å; D100-V105 HydrophobicContact CB-CB 4.43Å; D100-V105 PolarHBondContact N-O 3.19Å
101L90.7Very high92.2Very high49 Ų4970.8 Ų70.826%0.25738%0.375SS..THydrogen-bonded Turntrans-69.8-5.9-172.1-65.9173.7000114.5V62 F83 A87 I88 L91 N92 K99V62-L101 HydrophobicContact CG2-CB 3.72Å; V62-L101 HydrophobicContact CG2-CD1 3.99Å; V62-L101 HydrophobicContact CG2-CG 4.48Å; F83-L101 HydrophobicContact CD1-CD1 4.32Å; F83-L101 HydrophobicContact CE1-CB 3.91Å; F83-L101 HydrophobicContact CE1-CD1 4.43Å; F83-L101 HydrophobicContact CZ-CB 4.09Å; A87-L101 HydrophobicContact CB-CD1 4.16Å; I88-L101 HydrophobicContact CD1-CD1 3.96Å; L91-L101 HydrophobicContact CB-CD1 4.31Å; L91-L101 HydrophobicContact CB-CD2 3.66Å; L91-L101 HydrophobicContact CD1-CD1 4.03Å; L91-L101 HydrophobicContact CD1-CD2 3.96Å; L91-L101 HydrophobicContact CG-CD2 4.47Å; N92-L101 WeakPolarHBondContact OD1-CD2 3.46Å; N92-L101 WeakPolarHBondContact OD1-CG 3.27Å; K99-L101 PolarHBondContact O-N 2.84Å
102I91.4Very high92.3Very high74 Ų7468.5 Ų68.538%0.37936%0.362SS..THydrogen-bonded Turntrans-113-48.3-178.1-59.9172.4000111.3F51 P61 H81 F83 D100F51-I102 HydrophobicContact CD2-CD1 4.16Å; F51-I102 HydrophobicContact CE1-CD1 4.04Å; F51-I102 HydrophobicContact CE2-CD1 3.3Å; F51-I102 HydrophobicContact CZ-CD1 3.24Å; P61-I102 HydrophobicContact CB-CD1 4.21Å; P61-I102 HydrophobicContact CG-CD1 3.53Å; P61-I102 HydrophobicContact CG-CG1 4.25Å; H81-I102 HydrophobicContact CB-CD1 4.45Å; F83-I102 HydrophobicContact CE1-CD1 3.67Å; F83-I102 HydrophobicContact CE1-CG1 3.77Å; F83-I102 HydrophobicContact CZ-CD1 3.62Å; F83-I102 HydrophobicContact CZ-CG1 3.75Å; D100-I102 PolarHBondContact O-N 3.27Å; D100-I102 VanDerWaalsContact O-N 3.1Å; D100-I102 WeakPolarHBondContact OD1-CB 3.29Å; D100-I102 PolarHBondContact OD1-N 3.13Å
103N92.3Very high92.3Very high73 Ų7368.7 Ų68.739%0.3936%0.364SS..THydrogen-bonded Turntrans-119.79-171.368.52.4000114.1D100 V105D100-N103 WeakPolarHBondContact CB-OD1 3.47Å; D100-N103 VanDerWaalsContact CG-OD1 3.23Å; D100-N103 PolarHBondContact OD1-N 3.42Å; D100-N103 PolarHBondContact OD1-OD1 2.74Å; N103-V105 HydrophobicContact CB-CG2 4.48Å; N103-V105 PolarHBondContact O-N 2.71Å; N103-V105 WeakPolarHBondContact OD1-CB 3.37Å; N103-V105 VanDerWaalsContact OD1-CG2 3.32Å; N103-V105 WeakPolarHBondContact OD1-CG2 3.48Å; N103-V105 PolarHBondContact OD1-N 2.83Å
104D89.9Confident92.3Very high102 Ų10269.2 Ų69.255%0.54537%0.368SS..  trans57.116.3177.2-73.2-54.1000115.4K99 D100 P106K99-D104 HydrophobicContact CD-CB 4.37Å; D100-D104 VanDerWaalsContact O-CA 3.32Å; D100-D104 WeakPolarHBondContact O-CA 3.36Å; D100-D104 PolarHBondContact O-N 2.8Å; D104-P106 WeakPolarHBondContact O-CD 3.09Å
105V95.1Very high92.1Very high54 Ų5464.4 Ų64.433%0.32735%0.348SS..  trans-64.7123.9176.3173.20000108.5T79 D100 N103T79-V105 HydrophobicContact CG2-CB 3.74Å; T79-V105 HydrophobicContact CG2-CG1 4.02Å; T79-V105 HydrophobicContact CG2-CG2 4.13Å; D100-V105 HydrophobicContact CB-CB 4.43Å; D100-V105 PolarHBondContact N-O 3.19Å; N103-V105 HydrophobicContact CB-CG2 4.48Å; N103-V105 PolarHBondContact O-N 2.71Å; N103-V105 WeakPolarHBondContact OD1-CB 3.37Å; N103-V105 VanDerWaalsContact OD1-CG2 3.32Å; N103-V105 WeakPolarHBondContact OD1-CG2 3.48Å; N103-V105 PolarHBondContact OD1-N 2.83Å
106P94.3Very high92Very high98 Ų9863 Ų6364%0.63634%0.335SS*.BIsolated β-bridgetrans-66.3139.2-179.727-33.7000110.4Y98 D104Y98-P106 WeakPolarHBondContact O-CA 3.42Å; D104-P106 WeakPolarHBondContact O-CD 3.09Å
107F94.4Very high91.9Very high12 Ų1257 Ų575%0.05331%0.311CS..  trans-138.4173174.970.4-91.3000110I76 T78 N92 Y98 K99 D111 I112I76-F107 HydrophobicContact CD1-CD1 3.97Å; I76-F107 HydrophobicContact CD1-CE1 3.53Å; I76-F107 HydrophobicContact CD1-CZ 3.84Å; I76-F107 HydrophobicContact CG1-CE1 4.44Å; I76-F107 HydrophobicContact CG1-CZ 4.4Å; I76-F107 HydrophobicContact CG2-CB 3.94Å; I76-F107 HydrophobicContact CG2-CD1 3.99Å; I76-F107 HydrophobicContact CG2-CD2 4.17Å; I76-F107 HydrophobicContact CG2-CG 3.8Å; T78-F107 HydrophobicContact CG2-CB 4.14Å; N92-F107 HydrophobicContact CB-CZ 4.26Å; N92-F107 VanDerWaalsContact ND2-CE1 3.25Å; N92-F107 WeakPolarHBondContact ND2-CE1 3.37Å; N92-F107 WeakPolarHBondContact ND2-CZ 3.37Å; Y98-F107 WeakPolarHBondContact CB-O 3.46Å; Y98-F107 HydrophobicContact CD1-CE2 4.14Å; Y98-F107 PolarHBondContact O-N 2.7Å; K99-F107 WeakPolarHBondContact O-CE1 3.47Å; F107-D111 HydrophobicContact CB-CB 4.16Å; F107-D111 HydrophobicContact CD2-CB 4.32Å; F107-I112 HydrophobicContact CD2-CG1 4.24Å; F107-I112 HydrophobicContact CE2-CD1 3.96Å; F107-I112 HydrophobicContact CE2-CG1 3.68Å
108T93.7Very high91.7Very high83 Ų8355 Ų5551%0.50931%0.305SS..  trans-114.3162.617867.30000111.1G110 D111T108-G110 PolarHBondContact O-N 2.96Å; T108-G110 VanDerWaalsContact O-N 3.09Å; T108-D111 PolarHBondContact N-OD2 2.96Å; T108-D111 VanDerWaalsContact O-CB 3.3Å; T108-D111 WeakPolarHBondContact O-CB 3.32Å; T108-D111 PolarHBondContact O-N 3.34Å; T108-D111 PolarHBondContact OG1-OD2 3.1Å
109K90Very high91.5Very high140 Ų14061.3 Ų61.361%0.60933%0.329SS*.G310 helixtrans-56.6-29.7177.9-167.8177.5179-177.80113.3L93 Y98 D111 I112L93-K109 HydrophobicContact CD2-CD 4.37Å; L93-K109 HydrophobicContact CD2-CG 4.2Å; Y98-K109 HydrophobicContact CE1-CB 3.91Å; Y98-K109 HydrophobicContact CE1-CG 4.39Å; K109-D111 PolarHBondContact O-N 3.36Å; K109-I112 HydrophobicContact CG-CD1 4.35Å; K109-I112 PolarHBondContact O-N 2.87Å
110G90.1Very high91.1Very high68 Ų6862.1 Ų62.170%0.70133%0.334SS*.G310 helixtrans-74-11.3175.800000114.5T108 I112T108-G110 PolarHBondContact O-N 2.96Å; T108-G110 VanDerWaalsContact O-N 3.09Å; G110-I112 VanDerWaalsContact C-N 3.28Å
111D92.7Very high90.4Very high11 Ų1168.2 Ų68.26%0.05937%0.366CS..G310 helixtrans-86.6-2.5177.4-59.2-34.3000112.6R77 F107 T108 K109 I113R77-D111 HydrophobicContact CB-CB 3.96Å; R77-D111 VanDerWaalsContact CB-O 3.23Å; R77-D111 WeakPolarHBondContact CB-O 3.43Å; R77-D111 IonicContact CZ-OD1 3.05Å; R77-D111 PolarHBondContact N-O 3.36Å; R77-D111 IonicContact NE-OD1 3.02Å; R77-D111 PolarHBondContact NE-OD1 2.99Å; R77-D111 IonicContact NH2-OD1 2.69Å; R77-D111 PolarHBondContact NH2-OD1 2.81Å; F107-D111 HydrophobicContact CB-CB 4.16Å; F107-D111 HydrophobicContact CD2-CB 4.32Å; T108-D111 PolarHBondContact N-OD2 2.96Å; T108-D111 VanDerWaalsContact O-CB 3.3Å; T108-D111 WeakPolarHBondContact O-CB 3.32Å; T108-D111 PolarHBondContact O-N 3.34Å; T108-D111 PolarHBondContact OG1-OD2 3.1Å; K109-D111 PolarHBondContact O-N 3.36Å; D111-I113 PolarHBondContact O-N 3.22Å
112I93.8Very high89.9Confident30 Ų3072.5 Ų72.515%0.15439%0.385CS..EExtended strand (participates in β ladder)trans-84.6109179.5-57.3178.1000108.2V74 I88 L93 F107 K109 G110V74-I112 HydrophobicContact CG1-CG2 3.24Å; I88-I112 HydrophobicContact CG2-CD1 4Å; L93-I112 HydrophobicContact CD2-CD1 3.82Å; L93-I112 HydrophobicContact CG-CD1 4.5Å; F107-I112 HydrophobicContact CD2-CG1 4.24Å; F107-I112 HydrophobicContact CE2-CD1 3.96Å; F107-I112 HydrophobicContact CE2-CG1 3.68Å; K109-I112 HydrophobicContact CG-CD1 4.35Å; K109-I112 PolarHBondContact O-N 2.87Å; G110-I112 VanDerWaalsContact C-N 3.28Å
113I92.8Very high89.2Confident5 Ų571 Ų713%0.02638%0.375CS..EExtended strand (participates in β ladder)trans-98.4118.3-179.7-57.5174.1000108.7V74 A75 R77 D111 L115V74-I113 CarbonylContact C-O 3.59Å; V74-I113 VanDerWaalsContact CA-O 3.31Å; V74-I113 WeakPolarHBondContact CA-O 3.3Å; V74-I113 WeakPolarHBondContact CG1-O 3.44Å; A75-I113 PolarHBondContact N-O 2.7Å; A75-I113 PolarHBondContact O-N 3.16Å; R77-I113 HydrophobicContact CB-CD1 3.79Å; R77-I113 HydrophobicContact CB-CG1 4.2Å; R77-I113 HydrophobicContact CG-CD1 3.99Å; D111-I113 PolarHBondContact O-N 3.22Å; I113-L115 HydrophobicContact CG2-CD2 4.12Å; I113-L115 PolarHBondContact O-N 2.93Å
114V92.3Very high88.5Confident46 Ų4671.8 Ų71.828%0.27938%0.375SS..EExtended strand (participates in β ladder)trans-82.2112.4175.3-177.40000109.2V74 D117 R123V74-V114 HydrophobicContact CG2-CG2 4.5Å; V114-D117 HydrophobicContact CG1-CB 4.09Å; V114-R123 PolarHBondContact O-NH1 2.94Å
115L90Very high88.1Confident20 Ų2069.6 Ų69.611%0.10536%0.363CS..EExtended strand (participates in β ladder)trans-85-43.6179.6-62.6-177.9000111.6S11 L48 V73 A75 V82 I113S11-L115 WeakPolarHBondContact OG-CD2 3.47Å; L48-L115 HydrophobicContact CD1-CD1 3.75Å; L48-L115 HydrophobicContact CD1-CD2 4.07Å; L48-L115 HydrophobicContact CD2-CD1 4.39Å; V73-L115 HydrophobicContact CG1-CD1 4.33Å; V73-L115 PolarHBondContact O-N 3.31Å; A75-L115 HydrophobicContact CB-CD1 3.93Å; A75-L115 HydrophobicContact CB-CD2 4.42Å; A75-L115 HydrophobicContact CB-CG 4.13Å; V82-L115 HydrophobicContact CG1-CD1 4.14Å; V82-L115 HydrophobicContact CG2-CD1 4.17Å; I113-L115 HydrophobicContact CG2-CD2 4.12Å; I113-L115 PolarHBondContact O-N 2.93Å
116Q89.2Confident87.5Confident49 Ų4972.3 Ų72.323%0.22938%0.375CS..EExtended strand (participates in β ladder)trans-140.8125.7-176.9-173.6-179.8-2900109.9T68 N69 S71 H72 V73 F124T68-Q116 PolarHBondContact O-NE2 2.67Å; N69-Q116 PolarHBondContact O-NE2 3.25Å; S71-Q116 WeakPolarHBondContact O-CG 3.47Å; S71-Q116 PolarHBondContact O-NE2 2.8Å; H72-Q116 CarbonylContact C-O 3.52Å; H72-Q116 WeakPolarHBondContact CA-O 3.19Å; V73-Q116 HydrophobicContact CB-CB 4.04Å; V73-Q116 HydrophobicContact CG2-CB 4.22Å; V73-Q116 PolarHBondContact N-O 3.21Å; V73-Q116 PolarHBondContact O-N 3.13Å; V73-Q116 VanDerWaalsContact O-N 3.11Å; Q116-F124 HydrophobicContact CG-CZ 4.25Å
117D89.3Confident87.1Confident39 Ų3971.2 Ų71.221%0.20937%0.369CS..  trans-126.6110.9175-168.7-24.5000109.4H72 V114 Y119 H120H72-D117 IonicContact CD2-OD1 2.88Å; H72-D117 PolarHBondContact CD2-OD1 2.73Å; H72-D117 IonicContact CD2-OD2 3.26Å; H72-D117 IonicContact CE1-OD2 3.38Å; H72-D117 IonicContact NE2-OD1 3.91Å; H72-D117 PolarHBondContact NE2-OD1 3.39Å; H72-D117 IonicContact NE2-OD2 2.61Å; H72-D117 PolarHBondContact NE2-OD2 3.33Å; V114-D117 HydrophobicContact CG1-CB 4.09Å; D117-Y119 PolarHBondContact O-N 3.09Å; D117-Y119 WeakPolarHBondContact OD1-CB 3.4Å; D117-Y119 WeakPolarHBondContact OD1-CD2 3.48Å; D117-Y119 PolarHBondContact OD1-N 2.8Å; D117-H120 HydrophobicContact CB-CB 4.06Å; D117-H120 PolarHBondContact O-N 2.84Å
118P86.6Confident86.7Confident39 Ų3975.4 Ų75.425%0.25339%0.387SS..THydrogen-bonded Turntrans-62-21.1177.126.2-36.4000113.6S70 H72S70-P118 WeakPolarHBondContact O-CB 3.48Å; S70-P118 WeakPolarHBondContact O-CG 3.46Å; H72-P118 HydrophobicContact CB-CG 4.37Å
119Y87.3Confident86.4Confident205 Ų20572.4 Ų72.480%0.80437%0.367SS*.THydrogen-bonded Turntrans-87.2-12.1179.5-56.6-73.2000113.1D117D117-Y119 PolarHBondContact O-N 3.09Å; D117-Y119 WeakPolarHBondContact OD1-CB 3.4Å; D117-Y119 WeakPolarHBondContact OD1-CD2 3.48Å; D117-Y119 PolarHBondContact OD1-N 2.8Å
120H85.3Confident86.2Confident108 Ų10867.2 Ų67.250%0.535%0.346SS..  trans-118.464.5-175.1-144.879.6000112.6D117 E122D117-H120 HydrophobicContact CB-CB 4.06Å; D117-H120 PolarHBondContact O-N 2.84Å; H120-E122 VanDerWaalsContact C-N 3.32Å; H120-E122 PolarHBondContact O-N 3.15Å
121L78Confident85.9Confident128 Ų12866.2 Ų66.267%0.6732%0.323SS*.G310 helixtrans-66.7-27.2-173.7-63.3173.2000114.4R123 F124L121-R123 PolarHBondContact O-N 2.66Å; L121-F124 PolarHBondContact O-N 3.07Å
122E79.2Confident85.6Confident139 Ų13968.3 Ų68.365%0.6534%0.336SS*.G310 helixtrans-58.6-25.4-176.9-63.3-173.3-173.300113.4H120 F124 D125H120-E122 VanDerWaalsContact C-N 3.32Å; H120-E122 PolarHBondContact O-N 3.15Å; E122-F124 VanDerWaalsContact C-N 3.28Å; E122-F124 PolarHBondContact O-N 3.01Å; E122-D125 WeakPolarHBondContact O-CB 3.33Å; E122-D125 PolarHBondContact O-N 3.3Å
123R78.1Confident85.2Confident42 Ų4273.1 Ų73.116%0.15836%0.356CS..G310 helixtrans-67.8-26.6178.4-171.3-179.5174.5179.13113.5D14 G15 Y16 V114 L121 F129D14-R123 VanDerWaalsContact O-CZ 3.28Å; D14-R123 PolarHBondContact O-NH1 2.87Å; D14-R123 PolarHBondContact O-NH2 3.23Å; G15-R123 PolarHBondContact O-NH2 3.01Å; Y16-R123 HydrophobicContact CE1-CG 3.72Å; Y16-R123 VanDerWaalsContact N-NH2 3.13Å; Y16-R123 WeakPolarHBondContact OH-CG 3.34Å; V114-R123 PolarHBondContact O-NH1 2.94Å; L121-R123 PolarHBondContact O-N 2.66Å; R123-F129 WeakPolarHBondContact O-CE1 3.36Å
124F75.9Confident84.8Confident90 Ų9077.1 Ų77.140%0.39538%0.377SS..G310 helixtrans-94.16.3-177.7-64.4-76.5000113.2Q116 L121 E122 I126Q116-F124 HydrophobicContact CG-CZ 4.25Å; L121-F124 PolarHBondContact O-N 3.07Å; E122-F124 VanDerWaalsContact C-N 3.28Å; E122-F124 PolarHBondContact O-N 3.01Å; F124-I126 PolarHBondContact O-N 3.38Å
125D83.1Confident84.2Confident56 Ų5680.3 Ų80.330%0.29939%0.393SS..  trans-72.796.5177.7-174.20.7000111E122 S127 K128 F129E122-D125 WeakPolarHBondContact O-CB 3.33Å; E122-D125 PolarHBondContact O-N 3.3Å; D125-S127 VanDerWaalsContact CG-OG 3.25Å; D125-S127 PolarHBondContact O-N 2.79Å; D125-S127 VanDerWaalsContact O-N 3.15Å; D125-S127 WeakPolarHBondContact OD1-CB 3.36Å; D125-S127 PolarHBondContact OD1-N 3.01Å; D125-S127 PolarHBondContact OD1-OG 2.94Å; D125-S127 PolarHBondContact OD2-OG 3.16Å; D125-K128 HydrophobicContact CB-CD 4.08Å; D125-K128 HydrophobicContact CB-CG 4.3Å; D125-K128 WeakPolarHBondContact O-CB 3.26Å; D125-K128 PolarHBondContact O-N 3.01Å; D125-K128 WeakPolarHBondContact OD2-CD 3.46Å; D125-K128 WeakPolarHBondContact OD2-CE 3.44Å; D125-K128 WeakPolarHBondContact OD2-CG 3.16Å; D125-K128 IonicContact OD2-NZ 3.33Å; D125-F129 WeakPolarHBondContact O-CD1 3.47Å; D125-F129 WeakPolarHBondContact O-CE1 3.4Å
126I82Confident83.6Confident111 Ų11181.3 Ų81.357%0.56940%0.398SS*.G310 helixtrans-56.5-31.7-177.7-57.3169.7000111.4F124 K128 F129 V132F124-I126 PolarHBondContact O-N 3.38Å; I126-K128 PolarHBondContact O-N 3.47Å; I126-F129 HydrophobicContact CB-CD2 4.36Å; I126-F129 HydrophobicContact CB-CE2 4.32Å; I126-F129 HydrophobicContact CG1-CE2 4.13Å; I126-F129 HydrophobicContact CG2-CD2 4.15Å; I126-F129 HydrophobicContact CG2-CE2 4.45Å; I126-F129 WeakPolarHBondContact O-CB 3.35Å; I126-F129 WeakPolarHBondContact O-CG 3.28Å; I126-F129 PolarHBondContact O-N 3.03Å; I126-V132 HydrophobicContact CG2-CG2 4.07Å
127S84.8Confident82.9Confident74 Ų7487.5 Ų87.552%0.51742%0.419SS..G310 helixtrans-64.6-22.3-179.973.30000112.8D125D125-S127 VanDerWaalsContact CG-OG 3.25Å; D125-S127 PolarHBondContact O-N 2.79Å; D125-S127 VanDerWaalsContact O-N 3.15Å; D125-S127 WeakPolarHBondContact OD1-CB 3.36Å; D125-S127 PolarHBondContact OD1-N 3.01Å; D125-S127 PolarHBondContact OD1-OG 2.94Å; D125-S127 PolarHBondContact OD2-OG 3.16Å
128K85.7Confident82Confident100 Ų10088.4 Ų88.444%0.43543%0.426SS..G310 helixtrans-85.5-13.2-179.7-69.6178.5-176.5164.90113.6D125 I126 K133D125-K128 HydrophobicContact CB-CD 4.08Å; D125-K128 HydrophobicContact CB-CG 4.3Å; D125-K128 WeakPolarHBondContact O-CB 3.26Å; D125-K128 PolarHBondContact O-N 3.01Å; D125-K128 WeakPolarHBondContact OD2-CD 3.46Å; D125-K128 WeakPolarHBondContact OD2-CE 3.44Å; D125-K128 WeakPolarHBondContact OD2-CG 3.16Å; D125-K128 IonicContact OD2-NZ 3.33Å; I126-K128 PolarHBondContact O-N 3.47Å; K128-K133 WeakPolarHBondContact O-CE 3.34Å; K128-K133 PolarHBondContact O-NZ 2.87Å
129F87.5Confident80.8Confident20 Ų2090.5 Ų90.59%0.08843%0.431CS..  trans-69.1137.6-172.2-63.8-6.9000112.1V35 R123 D125 I126 H131 V132 K133V35-F129 HydrophobicContact CB-CD1 4.25Å; V35-F129 HydrophobicContact CB-CG 4.44Å; V35-F129 HydrophobicContact CG1-CD1 3.36Å; V35-F129 HydrophobicContact CG1-CE1 3.5Å; V35-F129 HydrophobicContact CG1-CG 4.01Å; V35-F129 HydrophobicContact CG1-CZ 4.25Å; V35-F129 HydrophobicContact CG2-CD1 4.32Å; V35-F129 HydrophobicContact CG2-CD2 4.26Å; V35-F129 HydrophobicContact CG2-CE1 4.38Å; V35-F129 HydrophobicContact CG2-CE2 4.31Å; V35-F129 HydrophobicContact CG2-CG 4.23Å; V35-F129 HydrophobicContact CG2-CZ 4.37Å; R123-F129 WeakPolarHBondContact O-CE1 3.36Å; D125-F129 WeakPolarHBondContact O-CD1 3.47Å; D125-F129 WeakPolarHBondContact O-CE1 3.4Å; I126-F129 HydrophobicContact CB-CD2 4.36Å; I126-F129 HydrophobicContact CB-CE2 4.32Å; I126-F129 HydrophobicContact CG1-CE2 4.13Å; I126-F129 HydrophobicContact CG2-CD2 4.15Å; I126-F129 HydrophobicContact CG2-CE2 4.45Å; I126-F129 WeakPolarHBondContact O-CB 3.35Å; I126-F129 WeakPolarHBondContact O-CG 3.28Å; I126-F129 PolarHBondContact O-N 3.03Å; F129-H131 AromaticContact CD2-CE1 3.64Å; F129-H131 PolarHBondContact O-N 3.19Å; F129-V132 HydrophobicContact CB-CB 4.43Å; F129-V132 HydrophobicContact CB-CG2 4.09Å; F129-V132 PolarHBondContact O-N 3.3Å; F129-V132 VanDerWaalsContact O-N 3.07Å; F129-K133 PolarHBondContact O-N 2.69Å
130D87.3Confident79.3Confident31 Ų3189.1 Ų89.117%0.16643%0.432CS..Hα-helixtrans-57.5-44-176.5-171.774.1000112.9P34 V35 V132 K133 N134P34-D130 PolarHBondContact O-N 2.88Å; V35-D130 PolarHBondContact O-N 2.86Å; D130-V132 PolarHBondContact O-N 3.09Å; D130-K133 PolarHBondContact O-N 2.87Å; D130-N134 VanDerWaalsContact CG-ND2 3.27Å; D130-N134 WeakPolarHBondContact O-CB 3.3Å; D130-N134 PolarHBondContact O-N 3.44Å; D130-N134 PolarHBondContact O-ND2 3.21Å; D130-N134 PolarHBondContact OD1-ND2 3.15Å; D130-N134 PolarHBondContact OD2-ND2 3.34Å
131H82.9Confident77.6Confident48 Ų4889.1 Ų89.122%0.22244%0.436CS..Hα-helixtrans-65.7-25.2178.972.8-77.8000113.9Y26 P34 F129 D135 L136Y26-H131 HydrophobicContact CE2-CB 4.2Å; P34-H131 HydrophobicContact CB-CB 4.33Å; P34-H131 PolarHBondContact O-N 2.87Å; P34-H131 PolarHBondContact O-ND1 3.24Å; F129-H131 AromaticContact CD2-CE1 3.64Å; F129-H131 PolarHBondContact O-N 3.19Å; H131-D135 CarbonylContact O-C 3.56Å; H131-D135 WeakPolarHBondContact O-CA 3.3Å; H131-D135 PolarHBondContact O-N 2.8Å; H131-L136 HydrophobicContact CB-CB 4.31Å; H131-L136 PolarHBondContact O-N 2.88Å
132V85.9Confident76.3Confident55 Ų5591.9 Ų91.933%0.33344%0.442SS..Hα-helixtrans-82.9-44.9177.2179.90000109.9I126 F129 D130 N134 D135I126-V132 HydrophobicContact CG2-CG2 4.07Å; F129-V132 HydrophobicContact CB-CB 4.43Å; F129-V132 HydrophobicContact CB-CG2 4.09Å; F129-V132 PolarHBondContact O-N 3.3Å; F129-V132 VanDerWaalsContact O-N 3.07Å; D130-V132 PolarHBondContact O-N 3.09Å; V132-N134 VanDerWaalsContact C-N 3.33Å; V132-N134 PolarHBondContact O-N 3.39Å; V132-D135 PolarHBondContact O-N 2.77Å
133K86.8Confident75Confident131 Ų13189.1 Ų89.157%0.5744%0.435SS*.Hα-helixtrans-63.2-38.2178.8-76.7176.5172158.20113.4K128 F129 D130K128-K133 WeakPolarHBondContact O-CE 3.34Å; K128-K133 PolarHBondContact O-NZ 2.87Å; F129-K133 PolarHBondContact O-N 2.69Å; D130-K133 PolarHBondContact O-N 2.87Å
134N83.5Confident73.8Confident89 Ų8992.8 Ų92.848%0.47645%0.454SS..THydrogen-bonded Turntrans-98.66.9-177.1-62.1-34.8000112.5D130 V132 L136D130-N134 VanDerWaalsContact CG-ND2 3.27Å; D130-N134 WeakPolarHBondContact O-CB 3.3Å; D130-N134 PolarHBondContact O-N 3.44Å; D130-N134 PolarHBondContact O-ND2 3.21Å; D130-N134 PolarHBondContact OD1-ND2 3.15Å; D130-N134 PolarHBondContact OD2-ND2 3.34Å; V132-N134 VanDerWaalsContact C-N 3.33Å; V132-N134 PolarHBondContact O-N 3.39Å; N134-L136 HydrophobicContact CB-CD1 3.84Å; N134-L136 HydrophobicContact CB-CD2 4.37Å; N134-L136 HydrophobicContact CB-CG 3.65Å; N134-L136 PolarHBondContact O-N 3.36Å
135D79.4Confident72.6Confident112 Ų11294 Ų9460%0.59946%0.461SS*.THydrogen-bonded Turntrans46.836.8-174.5-81-50.3000113.6H131 V132 R137H131-D135 CarbonylContact O-C 3.56Å; H131-D135 WeakPolarHBondContact O-CA 3.3Å; H131-D135 PolarHBondContact O-N 2.8Å; V132-D135 PolarHBondContact O-N 2.77Å; D135-R137 PolarHBondContact O-N 3.28Å; D135-R137 VanDerWaalsContact O-N 3.07Å; D135-R137 IonicContact OD1-NH2 2.63Å
136L78.6Confident71.1Confident42 Ų4294 Ų9422%0.2246%0.464CS..  trans-77.798.7-179-61.5169.4000109.4Y26 F30 H131 N134Y26-L136 HydrophobicContact CE2-CB 4.44Å; F30-L136 HydrophobicContact CD1-CD2 4.1Å; F30-L136 HydrophobicContact CE1-CB 4.38Å; F30-L136 HydrophobicContact CE1-CD2 3.72Å; F30-L136 HydrophobicContact CE2-CB 4.38Å; F30-L136 HydrophobicContact CZ-CB 4.16Å; F30-L136 HydrophobicContact CZ-CD2 4.27Å; H131-L136 HydrophobicContact CB-CB 4.31Å; H131-L136 PolarHBondContact O-N 2.88Å; N134-L136 HydrophobicContact CB-CD1 3.84Å; N134-L136 HydrophobicContact CB-CD2 4.37Å; N134-L136 HydrophobicContact CB-CG 3.65Å; N134-L136 PolarHBondContact O-N 3.36Å
137R74.3Confident69.8Low178 Ų17892.3 Ų92.367%0.67246%0.456SS*.  trans-109.3136.8172.2-59.6-176.7-168.3169.16.8109.5D135 K139D135-R137 PolarHBondContact O-N 3.28Å; D135-R137 VanDerWaalsContact O-N 3.07Å; D135-R137 IonicContact OD1-NH2 2.63Å; R137-K139 PolarHBondContact O-N 3.12Å
138V68.9Low68.4Low58 Ų5897.1 Ų97.135%0.35247%0.47SS..  trans-71.385.7162.1-1770000105.5P25 Y26 K29 F30 E140P25-V138 HydrophobicContact CB-CG1 4.3Å; Y26-V138 HydrophobicContact CD2-CG2 3.75Å; Y26-V138 HydrophobicContact CG-CG2 4.25Å; K29-V138 HydrophobicContact CD-CG1 4.32Å; F30-V138 HydrophobicContact CD2-CG2 4.45Å; F30-V138 HydrophobicContact CE2-CG2 3.9Å; V138-E140 PolarHBondContact O-N 3Å
139K62.5Low67Low83 Ų8399.2 Ų99.236%0.36149%0.486SS..  trans-55.5128.2168.9-62.7-175.7-172.5175.80106.7R137 D141 E145R137-K139 PolarHBondContact O-N 3.12Å; K139-D141 PolarHBondContact O-N 3.05Å; K139-E145 HydrophobicContact CD-CG 4.18Å; K139-E145 IonicContact NZ-OE1 2.66Å; K139-E145 PolarHBondContact NZ-OE1 3Å
140E55.8Low65.8Low177 Ų177101.5 Ų101.583%0.82750%0.499SS*.  trans-63.595.7162.1-69-175.6174.400105.4V138 K142V138-E140 PolarHBondContact O-N 3Å; E140-K142 VanDerWaalsContact C-N 3.27Å; E140-K142 PolarHBondContact O-N 3.11Å
141D48.8Very low64.6Low107 Ų107105.3 Ų105.357%0.57253%0.525SS*.THydrogen-bonded Turntrans-6091.2-174.9-66.8-40.4000108.1K29 K139K29-D141 VanDerWaalsContact NZ-CG 3.32Å; K29-D141 IonicContact NZ-OD1 2.72Å; K29-D141 PolarHBondContact NZ-OD1 2.56Å; K29-D141 IonicContact NZ-OD2 3.57Å; K29-D141 PolarHBondContact NZ-OD2 3.25Å; K139-D141 PolarHBondContact O-N 3.05Å
142K51.4Low63.8Low186 Ų186105.3 Ų105.381%0.80953%0.529SS*.THydrogen-bonded Turntrans176.6-17.1154.5-96.2156-166.1-171.20116E140E140-K142 VanDerWaalsContact C-N 3.27Å; E140-K142 PolarHBondContact O-N 3.11Å
143V52.2Low62.7Low81 Ų81106.9 Ų106.949%0.49153%0.529SS..THydrogen-bonded Turntrans-109.3-37.2-169.8-170.90000114.7L147V143-L147 HydrophobicContact CG1-CD1 4.35Å
144E52.4Low61.6Low120 Ų120106.3 Ų106.356%0.56153%0.532SS*.Hα-helixtrans-90.8-32.8-164.2-65.3-171.6156.100115.7L147 Q148E144-L147 WeakPolarHBondContact O-CB 3.2Å; E144-L147 PolarHBondContact O-N 3.38Å; E144-L147 VanDerWaalsContact O-N 3.12Å; E144-Q148 PolarHBondContact O-N 3.04Å
145E51.9Low60.8Low116 Ų116105.6 Ų105.654%0.54253%0.528SS..Hα-helixtrans-64.4-40.5-175.4-56.8-159.6148.900113.9K139 L147K139-E145 HydrophobicContact CD-CG 4.18Å; K139-E145 IonicContact NZ-OE1 2.66Å; K139-E145 PolarHBondContact NZ-OE1 3Å; E145-L147 VanDerWaalsContact C-N 3.27Å; E145-L147 PolarHBondContact O-N 2.95Å
146P51.1Low60.2Low55 Ų55108.8 Ų108.836%0.35754%0.537SS..Hα-helixtrans-69.2-26.7173.5-16.930.9000113.1Q148 N149 D150 Y153P146-Q148 VanDerWaalsContact C-N 3.34Å; P146-Q148 PolarHBondContact O-N 3.44Å; P146-N149 PolarHBondContact O-N 3.35Å; P146-D150 PolarHBondContact O-N 2.84Å; P146-Y153 HydrophobicContact CB-CD2 3.81Å; P146-Y153 HydrophobicContact CB-CE2 3.93Å; P146-Y153 HydrophobicContact CB-CG 4.38Å; P146-Y153 HydrophobicContact CG-CE2 4.28Å
147L53.6Low59.6Low76 Ų76112.7 Ų112.740%0.39857%0.566SS.*Hα-helixtrans-71-31.2-171.4-148.1138.2000112.4V143 E144 E145 Y153V143-L147 HydrophobicContact CG1-CD1 4.35Å; E144-L147 WeakPolarHBondContact O-CB 3.2Å; E144-L147 PolarHBondContact O-N 3.38Å; E144-L147 VanDerWaalsContact O-N 3.12Å; E145-L147 VanDerWaalsContact C-N 3.27Å; E145-L147 PolarHBondContact O-N 2.95Å; L147-Y153 HydrophobicContact CD1-CD1 3.96Å; L147-Y153 HydrophobicContact CD1-CE1 4.25Å; L147-Y153 HydrophobicContact CG-CD1 4.28Å
148Q55.1Low59.3Low175 Ų175105.3 Ų105.382%0.81854%0.541SS*.Hα-helixtrans-73.1-35.8174.7-74.3-95.1-15.200112.3E144 P146E144-Q148 PolarHBondContact O-N 3.04Å; P146-Q148 VanDerWaalsContact C-N 3.34Å; P146-Q148 PolarHBondContact O-N 3.44Å
149N57.2Low59.9Low144 Ų144106.3 Ų106.377%0.7755%0.545SS*.Hα-helixtrans-93-25.5-170.1-71.5-18.7000113.7P146P146-N149 PolarHBondContact O-N 3.35Å
150D61.5Low60.8Low67 Ų67106.6 Ų106.636%0.35856%0.555SS.*  trans-130.3108.9-179-157.8-9.4000111.7P146 T152 Y153 R170P146-D150 PolarHBondContact O-N 2.84Å; D150-T152 PolarHBondContact O-N 3.48Å; D150-T152 VanDerWaalsContact OD1-CB 3.29Å; D150-T152 WeakPolarHBondContact OD1-CB 3.37Å; D150-T152 PolarHBondContact OD1-N 2.89Å; D150-T152 PolarHBondContact OD1-OG1 3.45Å; D150-Y153 WeakPolarHBondContact O-CB 3.42Å; D150-Y153 PolarHBondContact O-N 3.17Å; D150-Y153 VanDerWaalsContact O-N 3.12Å; D150-R170 IonicContact OD1-NH2 3.43Å; D150-R170 PolarHBondContact OD1-NH2 3.49Å
151P62.1Low62.1Low112 Ų112105 Ų10573%0.72755%0.547SS*.THydrogen-bonded Turntrans-62.3-13.117525.8-33.6000112.5Y153P151-Y153 VanDerWaalsContact C-N 3.32Å
152T66.1Low63.4Low48 Ų48102.9 Ų102.929%0.29454%0.538SS..THydrogen-bonded Turntrans-78.5-13.3179-31.30000113D150 N154 L155 R170D150-T152 PolarHBondContact O-N 3.48Å; D150-T152 VanDerWaalsContact OD1-CB 3.29Å; D150-T152 WeakPolarHBondContact OD1-CB 3.37Å; D150-T152 PolarHBondContact OD1-N 2.89Å; D150-T152 PolarHBondContact OD1-OG1 3.45Å; T152-N154 VanDerWaalsContact C-N 3.26Å; T152-N154 PolarHBondContact O-N 3.39Å; T152-N154 VanDerWaalsContact O-N 3.17Å; T152-L155 HydrophobicContact CG2-CB 4.37Å; T152-L155 HydrophobicContact CG2-CD1 3.91Å; T152-L155 WeakPolarHBondContact O-CB 3.06Å; T152-L155 PolarHBondContact O-N 3.18Å; T152-R170 PolarHBondContact OG1-NH2 3.16Å
153Y62.6Low64.7Low88 Ų88100.5 Ų100.535%0.34552%0.524SS..THydrogen-bonded Turntrans-58.8-34.6-171.8-175.1-101.9000113.8P146 L147 D150 P151 L155P146-Y153 HydrophobicContact CB-CD2 3.81Å; P146-Y153 HydrophobicContact CB-CE2 3.93Å; P146-Y153 HydrophobicContact CB-CG 4.38Å; P146-Y153 HydrophobicContact CG-CE2 4.28Å; L147-Y153 HydrophobicContact CD1-CD1 3.96Å; L147-Y153 HydrophobicContact CD1-CE1 4.25Å; L147-Y153 HydrophobicContact CG-CD1 4.28Å; D150-Y153 WeakPolarHBondContact O-CB 3.42Å; D150-Y153 PolarHBondContact O-N 3.17Å; D150-Y153 VanDerWaalsContact O-N 3.12Å; P151-Y153 VanDerWaalsContact C-N 3.32Å; Y153-L155 VanDerWaalsContact C-N 3.28Å; Y153-L155 PolarHBondContact O-N 2.63Å
154N65.2Low66.2Low118 Ų118101.4 Ų101.463%0.63153%0.526SS*.THydrogen-bonded Turntrans-80.3-7.5179-68.2-28.4000113.6T152 K156T152-N154 VanDerWaalsContact C-N 3.26Å; T152-N154 PolarHBondContact O-N 3.39Å; T152-N154 VanDerWaalsContact O-N 3.17Å; N154-K156 PolarHBondContact O-N 3.22Å
155L67Low67.7Low75 Ų7597.8 Ų97.839%0.39352%0.517SS..  trans-86.461.2176.8-61.5167.9000109.9T152 Y153 C157 V158 L166T152-L155 HydrophobicContact CG2-CB 4.37Å; T152-L155 HydrophobicContact CG2-CD1 3.91Å; T152-L155 WeakPolarHBondContact O-CB 3.06Å; T152-L155 PolarHBondContact O-N 3.18Å; Y153-L155 VanDerWaalsContact C-N 3.28Å; Y153-L155 PolarHBondContact O-N 2.63Å; L155-C157 PolarHBondContact O-N 2.68Å; L155-V158 HydrophobicContact CB-CG1 4.23Å; L155-V158 HydrophobicContact CB-CG2 3.86Å; L155-V158 HydrophobicContact CD1-CG1 4.39Å; L155-V158 HydrophobicContact CD2-CG1 4.07Å; L155-V158 HydrophobicContact CG-CG1 4.47Å; L155-L166 HydrophobicContact CD1-CD1 4.14Å
156K64.9Low69Low178 Ų17895.5 Ų95.577%0.77451%0.508SS*.SBendtrans-59.3-30.7178.6-85-174.8176.5178.20112.9N154N154-K156 PolarHBondContact O-N 3.22Å
157C66.5Low70.4Confident125 Ų12597.4 Ų97.485%0.84552%0.515SS*.SBendtrans-134.9103.4175.8-61.60000108.5L155L155-C157 PolarHBondContact O-N 2.68Å
158V67.9Low71.9Confident23 Ų2399.7 Ų99.714%0.13952%0.523CS..  trans-113.7136170.1-115.30000107.8L155 T162 R163L155-V158 HydrophobicContact CB-CG1 4.23Å; L155-V158 HydrophobicContact CB-CG2 3.86Å; L155-V158 HydrophobicContact CD1-CG1 4.39Å; L155-V158 HydrophobicContact CD2-CG1 4.07Å; L155-V158 HydrophobicContact CG-CG1 4.47Å; V158-T162 HydrophobicContact CG1-CG2 3.79Å; V158-R163 HydrophobicContact CB-CG 4.14Å; V158-R163 HydrophobicContact CG2-CG 3.9Å
159N81.5Confident73.1Confident79 Ų7996.6 Ų96.642%0.42251%0.512SS..  trans-52.6137.6168.1174.50.4000108.7E161 T162 R163N159-E161 PolarHBondContact ND2-OE2 3.41Å; N159-E161 PolarHBondContact O-N 3.05Å; N159-E161 PolarHBondContact OD1-N 3.48Å; N159-E161 VanDerWaalsContact OD1-N 3.12Å; N159-T162 WeakPolarHBondContact O-CB 3.25Å; N159-T162 PolarHBondContact O-N 3.45Å; N159-R163 PolarHBondContact O-N 3Å; N159-R163 VanDerWaalsContact O-N 3.16Å
160P82.2Confident74.2Confident89 Ų8997.2 Ų97.258%0.57850%0.503SS*.Hα-helixtrans-46.5-39.7172.416.6-32.4000113.7T162 R163 D164P160-T162 VanDerWaalsContact C-N 3.32Å; P160-T162 PolarHBondContact O-N 3.22Å; P160-R163 WeakPolarHBondContact O-CB 2.96Å; P160-R163 PolarHBondContact O-N 2.91Å; P160-R163 VanDerWaalsContact O-N 3.16Å; P160-D164 PolarHBondContact O-N 3.04Å
161E82.2Confident75.1Confident144 Ų144102.4 Ų102.467%0.67352%0.523SS*.Hα-helixtrans-61-40177.7-64.2175.115600112.5N159 R163 D164 A165N159-E161 PolarHBondContact ND2-OE2 3.41Å; N159-E161 PolarHBondContact O-N 3.05Å; N159-E161 PolarHBondContact OD1-N 3.48Å; N159-E161 VanDerWaalsContact OD1-N 3.12Å; E161-R163 VanDerWaalsContact C-N 3.35Å; E161-D164 PolarHBondContact O-N 3.05Å; E161-A165 WeakPolarHBondContact O-CB 3.41Å; E161-A165 PolarHBondContact O-N 2.95Å
162T77.9Confident76.3Confident62 Ų62103 Ų10338%0.3852%0.52SS..Hα-helixtrans-69-35.6178.2-46.70000111.4V158 N159 P160 L166V158-T162 HydrophobicContact CG1-CG2 3.79Å; N159-T162 WeakPolarHBondContact O-CB 3.25Å; N159-T162 PolarHBondContact O-N 3.45Å; P160-T162 VanDerWaalsContact C-N 3.32Å; P160-T162 PolarHBondContact O-N 3.22Å; T162-L166 HydrophobicContact CG2-CD1 4.21Å; T162-L166 WeakPolarHBondContact O-CB 3.38Å; T162-L166 VanDerWaalsContact O-CG 3.24Å; T162-L166 WeakPolarHBondContact O-CG 3.31Å; T162-L166 PolarHBondContact O-N 2.56Å
163R78Confident77Confident136 Ų136108 Ų10851%0.51353%0.534SS..Hα-helixtrans-63-44.2174-81.4-175.2178.2142.11.4111.5V158 N159 P160 E161 L166 L167V158-R163 HydrophobicContact CB-CG 4.14Å; V158-R163 HydrophobicContact CG2-CG 3.9Å; N159-R163 PolarHBondContact O-N 3Å; N159-R163 VanDerWaalsContact O-N 3.16Å; P160-R163 WeakPolarHBondContact O-CB 2.96Å; P160-R163 PolarHBondContact O-N 2.91Å; P160-R163 VanDerWaalsContact O-N 3.16Å; E161-R163 VanDerWaalsContact C-N 3.35Å; R163-L166 PolarHBondContact O-N 3.1Å; R163-L167 WeakPolarHBondContact O-CG 3.34Å; R163-L167 PolarHBondContact O-N 2.98Å
164D83.8Confident77.7Confident100 Ų100112.5 Ų112.554%0.53556%0.556SS.*Hα-helixtrans-66.4-42179.1-77-11.4000111.7P160 E161 L166 L167 Q168P160-D164 PolarHBondContact O-N 3.04Å; E161-D164 PolarHBondContact O-N 3.05Å; D164-L166 VanDerWaalsContact C-N 3.35Å; D164-L166 PolarHBondContact O-N 2.84Å; D164-L167 PolarHBondContact O-N 3.39Å; D164-Q168 PolarHBondContact O-N 3.28Å
165A83.5Confident78.2Confident44 Ų44111.1 Ų111.136%0.36455%0.553SS.*Hα-helixtrans-60.5-42.4174.200000112.2E161 L167 Q168 L169E161-A165 WeakPolarHBondContact O-CB 3.41Å; E161-A165 PolarHBondContact O-N 2.95Å; A165-L167 VanDerWaalsContact C-N 3.35Å; A165-Q168 PolarHBondContact O-N 2.8Å; A165-L169 WeakPolarHBondContact O-CB 3.48Å; A165-L169 PolarHBondContact O-N 3.03Å
166L79.2Confident78.3Confident68 Ų68112.6 Ų112.636%0.35657%0.567SS.*Hα-helixtrans-66.3-36.3176.4-74.4169.3000112.3L155 T162 R163 D164 R170L155-L166 HydrophobicContact CD1-CD1 4.14Å; T162-L166 HydrophobicContact CG2-CD1 4.21Å; T162-L166 WeakPolarHBondContact O-CB 3.38Å; T162-L166 VanDerWaalsContact O-CG 3.24Å; T162-L166 WeakPolarHBondContact O-CG 3.31Å; T162-L166 PolarHBondContact O-N 2.56Å; R163-L166 PolarHBondContact O-N 3.1Å; D164-L166 VanDerWaalsContact C-N 3.35Å; D164-L166 PolarHBondContact O-N 2.84Å; L166-R170 PolarHBondContact O-N 2.74Å
167L81.1Confident78.5Confident94 Ų94113.2 Ų113.249%0.49257%0.57SS.*Hα-helixtrans-67.2-40.9174.7-80168.8000112R163 D164 A165 R170 K171R163-L167 WeakPolarHBondContact O-CG 3.34Å; R163-L167 PolarHBondContact O-N 2.98Å; D164-L167 PolarHBondContact O-N 3.39Å; A165-L167 VanDerWaalsContact C-N 3.35Å; L167-R170 PolarHBondContact O-N 2.9Å; L167-K171 PolarHBondContact O-N 2.61Å
168Q85.2Confident78.3Confident125 Ų125116.5 Ų116.558%0.58457%0.57SS**Hα-helixtrans-63.5-47.6173-75.6179.7-11.200111D164 A165 R170 K171 D172D164-Q168 PolarHBondContact O-N 3.28Å; A165-Q168 PolarHBondContact O-N 2.8Å; Q168-R170 VanDerWaalsContact C-N 3.3Å; Q168-R170 PolarHBondContact O-N 2.83Å; Q168-K171 WeakPolarHBondContact O-CA 3.43Å; Q168-K171 WeakPolarHBondContact O-CB 3.39Å; Q168-K171 PolarHBondContact O-N 3.04Å; Q168-D172 WeakPolarHBondContact O-CB 3.39Å; Q168-D172 PolarHBondContact O-N 2.95Å
169L80.8Confident77.8Confident109 Ų109123.6 Ų123.657%0.57160%0.601SS**Hα-helixtrans-54.7-43.6175-98152.8000112.3A165 K171 D172 Y173A165-L169 WeakPolarHBondContact O-CB 3.48Å; A165-L169 PolarHBondContact O-N 3.03Å; L169-K171 VanDerWaalsContact C-N 3.28Å; L169-K171 PolarHBondContact O-N 2.7Å; L169-D172 PolarHBondContact O-N 3.39Å; L169-Y173 WeakPolarHBondContact O-CA 3.41Å; L169-Y173 WeakPolarHBondContact O-CB 3.32Å; L169-Y173 PolarHBondContact O-N 3.28Å
170R78.6Confident76.6Confident158 Ų158127.1 Ų127.160%0.59662%0.62SS**Hα-helixtrans-64.1-31.3176.1-80.3-177.4175.3-178-0.7113.3D150 T152 L166 L167 Q168D150-R170 IonicContact OD1-NH2 3.43Å; D150-R170 PolarHBondContact OD1-NH2 3.49Å; T152-R170 PolarHBondContact OG1-NH2 3.16Å; L166-R170 PolarHBondContact O-N 2.74Å; L167-R170 PolarHBondContact O-N 2.9Å; Q168-R170 VanDerWaalsContact C-N 3.3Å; Q168-R170 PolarHBondContact O-N 2.83Å
171K81.9Confident75.1Confident176 Ų176126.5 Ų126.577%0.76562%0.623SS**Hα-helixtrans-77.6-39.7176.4-73.6179.4178.2179.30112.2L167 Q168 L169L167-K171 PolarHBondContact O-N 2.61Å; Q168-K171 WeakPolarHBondContact O-CA 3.43Å; Q168-K171 WeakPolarHBondContact O-CB 3.39Å; Q168-K171 PolarHBondContact O-N 3.04Å; L169-K171 VanDerWaalsContact C-N 3.28Å; L169-K171 PolarHBondContact O-N 2.7Å
172D85.6Confident73.7Confident124 Ų124125.4 Ų125.466%0.66363%0.628SS**Hα-helixtrans-89.2-23.3-171.8-62.7-17.5000112.4Q168 L169 K174Q168-D172 WeakPolarHBondContact O-CB 3.39Å; Q168-D172 PolarHBondContact O-N 2.95Å; L169-D172 PolarHBondContact O-N 3.39Å; D172-K174 PolarHBondContact O-N 2.83Å
173Y81.1Confident72.2Confident153 Ų153125.3 Ų125.360%0.664%0.64SS**  trans-65.2109.7179.4-179.1-100.1000110.6L169 P175L169-Y173 WeakPolarHBondContact O-CA 3.41Å; L169-Y173 WeakPolarHBondContact O-CB 3.32Å; L169-Y173 PolarHBondContact O-N 3.28Å; Y173-P175 HydrophobicContact CE1-CB 4.01Å
174K78.2Confident71.2Confident183 Ų183124.2 Ų124.280%0.79665%0.65SS**PPolyproline II helixtrans-100.7120163.9-69.6-179.8-179.1175.60107.3D172D172-K174 PolarHBondContact O-N 2.83Å
175P75.6Confident70.2Confident89 Ų89122.4 Ų122.458%0.57865%0.645SS**PPolyproline II helixtrans-56.1139.2172.323.3-31000108.4Y173 K177Y173-P175 HydrophobicContact CE1-CB 4.01Å; P175-K177 PolarHBondContact O-N 2.99Å
176P68.2Low69.4Low106 Ų106128.8 Ų128.869%0.68867%0.665SS**PPolyproline II helixtrans-54.1120.6173.523-31.6000107K178P176-K178 PolarHBondContact O-N 3.12Å
177K68.7Low69Low190 Ų190129.4 Ų129.483%0.82667%0.668SS**  trans-58.6115172.6-151.9179.3-174.4-174.90104.4P175 E179P175-K177 PolarHBondContact O-N 2.99Å; K177-E179 PolarHBondContact O-N 3.36Å
178K62.7Low68.7Low194 Ų194127.8 Ų127.884%0.84366%0.66SS**  trans-61.596.4164.1-87-177176179.20104.2P176 D180P176-K178 PolarHBondContact O-N 3.12Å; K178-D180 PolarHBondContact O-N 3.16Å; K178-D180 VanDerWaalsContact O-N 3.13Å
179E58.3Low68.3Low172 Ų172127.1 Ų127.180%0.80467%0.669SS**  trans-57.5117.8156.8-66.3-175.1171.600103.6K177 A181K177-E179 PolarHBondContact O-N 3.36Å; E179-A181 PolarHBondContact O-N 3.18Å
180D55.1Low68.3Low153 Ų153123.2 Ų123.282%0.81865%0.648SS**  trans-58.292.9166.7-65.5-42.9000104.5K178 P182K178-D180 PolarHBondContact O-N 3.16Å; K178-D180 VanDerWaalsContact O-N 3.13Å; D180-P182 VanDerWaalsContact O-N 3.17Å
181A52.2Low68.6Low76 Ų76115.9 Ų115.963%0.62862%0.621SS**  trans-48.3130.7168.600000104.7E179 G183E179-A181 PolarHBondContact O-N 3.18Å; A181-G183 PolarHBondContact O-N 3.07Å
182P51.6Low68.7Low122 Ų122109.2 Ų109.279%0.79260%0.599SS**  trans-45119.5-17817.4-30.6000106.8D180D180-P182 VanDerWaalsContact O-N 3.17Å
183G47.8Very low68.7Low60 Ų60103.8 Ų103.862%0.61957%0.571SS**PPolyproline II helixtrans-48137.5-170.300000108.6A181 S185A181-G183 PolarHBondContact O-N 3.07Å; G183-S185 PolarHBondContact O-N 3.38Å
184P55.9Low69Low112 Ų112105.1 Ų105.173%0.72758%0.582SS**PPolyproline II helixtrans-48.3125.7-172.419.6-32000108.6K186 I219P184-K186 PolarHBondContact O-N 3.16Å; P184-I219 HydrophobicContact CB-CD1 4.34Å
185S61.9Low69.5Low62 Ų62102.5 Ų102.543%0.43457%0.568SS.*PPolyproline II helixtrans-47.1134.5178.248.10000108.9G183 L187 I219G183-S185 PolarHBondContact O-N 3.38Å; S185-L187 PolarHBondContact O-N 3.34Å; S185-I219 WeakPolarHBondContact O-CD1 3.32Å; S185-I219 WeakPolarHBondContact OG-CG2 3.28Å
186K68.6Low70.1Confident179 Ų17999.9 Ų99.978%0.77855%0.552SS**PPolyproline II helixtrans-58.2133.1-175.6-67.5179.9-179.8177.30109.8P184 D188 N191P184-K186 PolarHBondContact O-N 3.16Å; K186-D188 PolarHBondContact O-N 2.98Å; K186-N191 PolarHBondContact O-ND2 2.89Å
187L69.4Low71Confident80 Ų8097.8 Ų97.842%0.41954%0.538SS..PPolyproline II helixtrans-69.9122.5175.3-174.887.1000108.9S185 N191 A192 P217 I219S185-L187 PolarHBondContact O-N 3.34Å; L187-N191 WeakPolarHBondContact CA-OD1 3.43Å; L187-A192 HydrophobicContact CD1-CB 4.19Å; L187-P217 HydrophobicContact CD1-CG 3.9Å; L187-P217 HydrophobicContact CD2-CG 3.63Å; L187-P217 HydrophobicContact CG-CG 4.37Å; L187-I219 HydrophobicContact CB-CG1 4.46Å; L187-I219 HydrophobicContact CD1-CG1 3.74Å
188D75.4Confident72Confident60 Ų6090.2 Ų90.232%0.32151%0.513SS..  trans-119.2161.7175.9-66.3-22.5000109.1K186 I190 N191 A192K186-D188 PolarHBondContact O-N 2.98Å; D188-I190 PolarHBondContact O-N 2.99Å; D188-N191 PolarHBondContact N-ND2 3.38Å; D188-N191 PolarHBondContact N-OD1 3.21Å; D188-N191 PolarHBondContact O-N 2.94Å; D188-N191 PolarHBondContact O-OD1 3.45Å; D188-A192 PolarHBondContact O-N 2.98Å
189S77Confident73.2Confident112 Ų11285.2 Ų85.278%0.78349%0.494SS*.THydrogen-bonded Turntrans-54.5-32.2178.8-172.50000113.4
190I81.2Confident74.7Confident26 Ų2679.2 Ų79.213%0.13347%0.469CS..THydrogen-bonded Turntrans-84.6-30.2-175-51.6172.2000112.1D188 L225 L397 E400 R401 A404D188-I190 PolarHBondContact O-N 2.99Å; I190-L225 HydrophobicContact CG2-CD1 4.25Å; I190-L225 HydrophobicContact CG2-CD2 3.89Å; I190-L397 HydrophobicContact CG2-CD1 4.05Å; I190-E400 HydrophobicContact CD1-CB 3.95Å; I190-E400 HydrophobicContact CD1-CG 3.66Å; I190-R401 HydrophobicContact CD1-CB 4.3Å; I190-R401 HydrophobicContact CD1-CG 3.72Å; I190-A404 HydrophobicContact CD1-CB 4.31Å
191N83.5Confident76.3Confident4 Ų474.9 Ų74.92%0.02146%0.455CS..THydrogen-bonded Turntrans-94.4-2.7-178.873.512.3000113.1K186 L187 D188 A193 I219 I220K186-N191 PolarHBondContact O-ND2 2.89Å; L187-N191 WeakPolarHBondContact CA-OD1 3.43Å; D188-N191 PolarHBondContact N-ND2 3.38Å; D188-N191 PolarHBondContact N-OD1 3.21Å; D188-N191 PolarHBondContact O-N 2.94Å; D188-N191 PolarHBondContact O-OD1 3.45Å; N191-A193 PolarHBondContact O-N 3.39Å; N191-I219 HydrophobicContact CB-CG2 4.36Å; N191-I220 WeakPolarHBondContact O-CG1 3.45Å; N191-I220 PolarHBondContact O-N 3.01Å
192A85Confident78Confident37 Ų3773.1 Ų73.131%0.30644%0.44SS..EExtended strand (participates in β ladder)trans-67.7118.6177.200000110.7L187 D188 P217L187-A192 HydrophobicContact CD1-CB 4.19Å; D188-A192 PolarHBondContact O-N 2.98Å; A192-P217 HydrophobicContact CB-CB 4.25Å; A192-P217 HydrophobicContact CB-CG 4.12Å
193A85.3Confident79.7Confident9 Ų967.7 Ų67.77%0.07441%0.406CS..EExtended strand (participates in β ladder)trans-70.1154.3173.800000111.7N191 Y195 P217 A218 I220N191-A193 PolarHBondContact O-N 3.39Å; A193-Y195 HydrophobicContact CB-CD1 3.88Å; A193-Y195 HydrophobicContact CB-CD2 4.33Å; A193-Y195 HydrophobicContact CB-CE1 3.75Å; A193-Y195 HydrophobicContact CB-CE2 4.21Å; A193-Y195 HydrophobicContact CB-CG 4.17Å; A193-Y195 PolarHBondContact O-N 3.39Å; A193-P217 WeakPolarHBondContact O-CB 3.18Å; A193-A218 HydrophobicContact CB-CB 3.95Å; A193-A218 WeakPolarHBondContact CB-O 3.4Å; A193-A218 PolarHBondContact N-O 3.08Å; A193-I220 HydrophobicContact CB-CD1 4.25Å; A193-I220 HydrophobicContact CB-CG1 3.74Å
194H86.7Confident81.8Confident182 Ų18273.7 Ų73.784%0.84342%0.416SS*.EExtended strand (participates in β ladder)trans-69.7-6.7169.863.9-74.5000113.2
195Y88.5Confident83.4Confident128 Ų12873.6 Ų73.650%0.50241%0.413SS..EExtended strand (participates in β ladder)trans-119.8159.8176.859.8-92.8000111.4A193 P217 A218A193-Y195 HydrophobicContact CB-CD1 3.88Å; A193-Y195 HydrophobicContact CB-CD2 4.33Å; A193-Y195 HydrophobicContact CB-CE1 3.75Å; A193-Y195 HydrophobicContact CB-CE2 4.21Å; A193-Y195 HydrophobicContact CB-CG 4.17Å; A193-Y195 PolarHBondContact O-N 3.39Å; Y195-P217 WeakPolarHBondContact O-CA 3.4Å; Y195-A218 HydrophobicContact CD2-CB 3.66Å; Y195-A218 HydrophobicContact CE2-CB 3.36Å; Y195-A218 PolarHBondContact O-N 3.45Å
196S89.8Confident84.5Confident33 Ų3372.7 Ų72.723%0.23141%0.407CS..EExtended strand (participates in β ladder)trans-81.8157.8-179.9162.90000112.3G198 Q216S196-G198 PolarHBondContact O-N 3.5Å; S196-G198 VanDerWaalsContact O-N 3.1Å; S196-G198 PolarHBondContact OG-N 3.16Å; S196-Q216 WeakPolarHBondContact CA-O 3.41Å
197T87.3Confident85.4Confident63 Ų6371.2 Ų71.239%0.38741%0.413SS..  trans-59.1-16.4168.458.30000113.4M199 Q216 A218T197-M199 PolarHBondContact O-N 3.16Å; T197-Q216 PolarHBondContact N-O 3.13Å; T197-Q216 VanDerWaalsContact N-O 3.07Å; T197-A218 HydrophobicContact CG2-CB 4.31Å
198G89.1Confident86.2Confident31 Ų3173.4 Ų73.432%0.3243%0.43SS..SBendtrans78.5-1.6-178.800000114.1S196 V200 A201 A202S196-G198 PolarHBondContact O-N 3.5Å; S196-G198 VanDerWaalsContact O-N 3.1Å; S196-G198 PolarHBondContact OG-N 3.16Å; G198-V200 PolarHBondContact O-N 3.34Å; G198-A201 PolarHBondContact O-N 3.12Å; G198-A201 VanDerWaalsContact O-N 3.15Å; G198-A202 PolarHBondContact O-N 3.09Å
199M87.8Confident86.6Confident89 Ų8975 Ų7544%0.43844%0.436SS..Hα-helixtrans-64.6-35.2-175.3-66.4-173.478.300113.6T197 A201 A202 G203 I212T197-M199 PolarHBondContact O-N 3.16Å; M199-A201 VanDerWaalsContact C-N 3.34Å; M199-A202 PolarHBondContact O-N 3.21Å; M199-G203 PolarHBondContact O-N 2.99Å; M199-I212 HydrophobicContact CB-CD1 3.8Å; M199-I212 HydrophobicContact CE-CD1 3.63Å; M199-I212 HydrophobicContact SD-CD1 4.46Å
200V88.8Confident86.9Confident46 Ų4677.4 Ų77.428%0.27944%0.435SS..Hα-helixtrans-61.9-43.1174.5174.90000110.9G198 F204 I212 K214 Q215G198-V200 PolarHBondContact O-N 3.34Å; V200-F204 WeakPolarHBondContact O-CB 3.45Å; V200-F204 PolarHBondContact O-N 2.97Å; V200-I212 HydrophobicContact CG2-CG2 4.04Å; V200-K214 WeakPolarHBondContact CG2-O 3.41Å; V200-Q215 HydrophobicContact CG2-CB 4.19Å
201A88.6Confident87.1Confident62 Ų6281.5 Ų81.551%0.51246%0.463SS..Hα-helixtrans-71-38.6178.400000111.8G198 M199 F204 T205G198-A201 PolarHBondContact O-N 3.12Å; G198-A201 VanDerWaalsContact O-N 3.15Å; M199-A201 VanDerWaalsContact C-N 3.34Å; A201-F204 PolarHBondContact O-N 2.79Å; A201-T205 PolarHBondContact O-N 3.35Å; A201-T205 VanDerWaalsContact O-N 3.14Å; A201-T205 PolarHBondContact O-OG1 2.92Å
202A88.3Confident87.2Confident38 Ų3884.1 Ų84.131%0.31448%0.476SS..Hα-helixtrans-63.9-44.617500000111.7G198 M199 F204 T205 S206G198-A202 PolarHBondContact O-N 3.09Å; M199-A202 PolarHBondContact O-N 3.21Å; A202-F204 VanDerWaalsContact C-N 3.3Å; A202-F204 PolarHBondContact O-N 2.7Å; A202-T205 PolarHBondContact O-N 3.27Å; A202-T205 PolarHBondContact O-OG1 3.38Å; A202-S206 WeakPolarHBondContact O-CB 3.47Å; A202-S206 PolarHBondContact O-N 2.93Å
203G88.4Confident87.3Confident9 Ų988.6 Ų88.69%0.09350%0.5CS..Hα-helixtrans-68.1-26176.500000113.9M199M199-G203 PolarHBondContact O-N 2.99Å
204F91.7Very high87.5Confident185 Ų18596 Ų9681%0.81153%0.531SS*.Hα-helixtrans-73.7-36.4173.7178.3-107.5000112.7V200 A201 A202V200-F204 WeakPolarHBondContact O-CB 3.45Å; V200-F204 PolarHBondContact O-N 2.97Å; A201-F204 PolarHBondContact O-N 2.79Å; A202-F204 VanDerWaalsContact C-N 3.3Å; A202-F204 PolarHBondContact O-N 2.7Å
205T88.5Confident87.5Confident111 Ų11194.4 Ų94.468%0.68152%0.524SS*.Hα-helixtrans-97.5-22.2-173.4530000113.9A201 A202A201-T205 PolarHBondContact O-N 3.35Å; A201-T205 VanDerWaalsContact O-N 3.14Å; A201-T205 PolarHBondContact O-OG1 2.92Å; A202-T205 PolarHBondContact O-N 3.27Å; A202-T205 PolarHBondContact O-OG1 3.38Å
206S86.3Confident87.3Confident42 Ų4294 Ų9429%0.29453%0.526SS..  trans-99.1129-177.2-176.20000111.6A202 V208A202-S206 WeakPolarHBondContact O-CB 3.47Å; A202-S206 PolarHBondContact O-N 2.93Å; S206-V208 PolarHBondContact O-N 3.06Å; S206-V208 PolarHBondContact OG-N 3.28Å
207T86.4Confident87.2Confident149 Ų14994.6 Ų94.691%0.91453%0.529SS*.SBendtrans-73.9-12.9170.653.40000113.2
208V85.9Confident87.2Confident126 Ų12692 Ų9276%0.76452%0.515SS*.SBendtrans-92.8-23.5-177.3-175.20000111.7S206S206-V208 PolarHBondContact O-N 3.06Å; S206-V208 PolarHBondContact OG-N 3.28Å
209M84.9Confident87Confident92 Ų9293.4 Ų93.445%0.45351%0.514SS..SBendtrans-96.1143.8-176.4-63.1-65.9-75.600110.6
210E83.9Confident86.9Confident164 Ų16491.3 Ų91.377%0.76650%0.504SS*.  trans-66.4143.3173.5-66.7178.2174.400110.9I212E210-I212 PolarHBondContact O-N 3.49Å; E210-I212 VanDerWaalsContact O-N 3.13Å
211P84.5Confident86.5Confident111 Ų11193 Ų9372%0.72151%0.512SS*.  trans-68.8112.4178.927-33.3000110.5
212I85Confident86.1Confident59 Ų5994.5 Ų94.530%0.30351%0.508SS..  trans-99.1123.7176.4-62.8162.4000109M199 V200 E210M199-I212 HydrophobicContact CB-CD1 3.8Å; M199-I212 HydrophobicContact CE-CD1 3.63Å; M199-I212 HydrophobicContact SD-CD1 4.46Å; V200-I212 HydrophobicContact CG2-CG2 4.04Å; E210-I212 PolarHBondContact O-N 3.49Å; E210-I212 VanDerWaalsContact O-N 3.13Å
213T87Confident85.6Confident131 Ų13194.4 Ų94.480%0.80450%0.502SS*.  trans-98-15.4-176.454.50000114.3
214K89.3Confident85.4Confident164 Ų16497.2 Ų97.271%0.71352%0.518SS*.SBendtrans-104.3117.3-178.5-64.8-173.9-178.8179.70110.9V200V200-K214 WeakPolarHBondContact CG2-O 3.41Å
215Q87.8Confident84.8Confident149 Ų14989.1 Ų89.170%0.69648%0.483SS*.  trans-73.7134.1173-174-179.2-8.400110.3V200V200-Q215 HydrophobicContact CG2-CB 4.19Å
216Q85Confident84.5Confident119 Ų11984.9 Ų84.956%0.55646%0.455SS*.  trans-124.1140.5173-66.7-178.30.800109.6S196 T197S196-Q216 WeakPolarHBondContact CA-O 3.41Å; T197-Q216 PolarHBondContact N-O 3.13Å; T197-Q216 VanDerWaalsContact N-O 3.07Å
217P87.5Confident84.4Confident46 Ų4684.1 Ų84.130%0.29945%0.446SS..EExtended strand (participates in β ladder)trans-63.5146.2171.628.4-33.7000110L187 A192 A193 Y195L187-P217 HydrophobicContact CD1-CG 3.9Å; L187-P217 HydrophobicContact CD2-CG 3.63Å; L187-P217 HydrophobicContact CG-CG 4.37Å; A192-P217 HydrophobicContact CB-CB 4.25Å; A192-P217 HydrophobicContact CB-CG 4.12Å; A193-P217 WeakPolarHBondContact O-CB 3.18Å; Y195-P217 WeakPolarHBondContact O-CA 3.4Å
218A86.3Confident84.2Confident10 Ų1081.4 Ų81.48%0.08343%0.433CS..EExtended strand (participates in β ladder)trans-67.5153.5172.600000110.3A193 Y195 T197A193-A218 HydrophobicContact CB-CB 3.95Å; A193-A218 WeakPolarHBondContact CB-O 3.4Å; A193-A218 PolarHBondContact N-O 3.08Å; Y195-A218 HydrophobicContact CD2-CB 3.66Å; Y195-A218 HydrophobicContact CE2-CB 3.36Å; Y195-A218 PolarHBondContact O-N 3.45Å; T197-A218 HydrophobicContact CG2-CB 4.31Å
219I85.8Confident84Confident60 Ų6077.4 Ų77.431%0.30840%0.404SS..EExtended strand (participates in β ladder)trans-90.2123.3176.8-60.4152.1000108.2P184 S185 L187 N191P184-I219 HydrophobicContact CB-CD1 4.34Å; S185-I219 WeakPolarHBondContact O-CD1 3.32Å; S185-I219 WeakPolarHBondContact OG-CG2 3.28Å; L187-I219 HydrophobicContact CB-CG1 4.46Å; L187-I219 HydrophobicContact CD1-CG1 3.74Å; N191-I219 HydrophobicContact CB-CG2 4.36Å
220I84.8Confident84.1Confident45 Ų4573.3 Ų73.323%0.23138%0.384CS..PPolyproline II helixtrans-74.1132.5170.7-58.1175.1000108.4N191 A193 T224N191-I220 WeakPolarHBondContact O-CG1 3.45Å; N191-I220 PolarHBondContact O-N 3.01Å; A193-I220 HydrophobicContact CB-CD1 4.25Å; A193-I220 HydrophobicContact CB-CG1 3.74Å; I220-T224 HydrophobicContact CG2-CG2 4.2Å
221D81.6Confident84Confident81 Ų8173.7 Ų73.743%0.43338%0.383SS..PPolyproline II helixtrans-59.5140175.7178.738.4000112.3D223 T224 L225D221-D223 VanDerWaalsContact C-N 3.3Å; D221-D223 PolarHBondContact O-N 3.18Å; D221-T224 WeakPolarHBondContact O-CB 3.23Å; D221-T224 PolarHBondContact O-N 2.69Å; D221-T224 VanDerWaalsContact O-N 3.16Å; D221-L225 PolarHBondContact O-N 2.98Å; D221-L225 VanDerWaalsContact O-N 3.11Å
222E78.8Confident84.2Confident94 Ų9471 Ų7144%0.43937%0.368SS..Hα-helixtrans-63.9-36.8-173.6-61.6-157.8134.700112.1T224 L225 K226 R401E222-T224 VanDerWaalsContact C-N 3.34Å; E222-T224 PolarHBondContact O-N 2.84Å; E222-L225 PolarHBondContact O-N 3.43Å; E222-K226 WeakPolarHBondContact O-CB 3.3Å; E222-K226 PolarHBondContact O-N 3.07Å; E222-R401 IonicContact OE1-CZ 3.71Å; E222-R401 VanDerWaalsContact OE1-CZ 3.28Å; E222-R401 IonicContact OE1-NH1 2.6Å; E222-R401 PolarHBondContact OE1-NH1 2.98Å; E222-R401 IonicContact OE1-NH2 3.11Å; E222-R401 PolarHBondContact OE1-NH2 3.01Å
223D79.6Confident84.5Confident35 Ų3572.8 Ų72.819%0.18737%0.373CS..Hα-helixtrans-63.8-42.6177.2-75.4-17.6000110.6D221 L225 K226 Y227 W300D221-D223 VanDerWaalsContact C-N 3.3Å; D221-D223 PolarHBondContact O-N 3.18Å; D223-L225 VanDerWaalsContact C-N 3.31Å; D223-L225 PolarHBondContact O-N 3.38Å; D223-K226 WeakPolarHBondContact O-CB 3.42Å; D223-K226 PolarHBondContact O-N 2.8Å; D223-K226 IonicContact OD1-NZ 3.22Å; D223-K226 PolarHBondContact OD1-NZ 3.05Å; D223-Y227 HydrophobicContact CB-CE2 3.83Å; D223-Y227 WeakPolarHBondContact O-CD1 3.49Å; D223-Y227 WeakPolarHBondContact O-CD2 3.44Å; D223-Y227 WeakPolarHBondContact O-CE2 3.31Å; D223-Y227 PolarHBondContact O-N 3.11Å; D223-W300 PolarHBondContact OD2-NE1 2.67Å; D223-W300 VanDerWaalsContact OD2-NE1 3.1Å
224T82.4Confident84.7Confident69 Ų6966.6 Ų66.642%0.42334%0.335SS..Hα-helixtrans-61-42176.3-560000111.6I220 D221 E222 Y227 S228I220-T224 HydrophobicContact CG2-CG2 4.2Å; D221-T224 WeakPolarHBondContact O-CB 3.23Å; D221-T224 PolarHBondContact O-N 2.69Å; D221-T224 VanDerWaalsContact O-N 3.16Å; E222-T224 VanDerWaalsContact C-N 3.34Å; E222-T224 PolarHBondContact O-N 2.84Å; T224-Y227 PolarHBondContact O-N 3.02Å; T224-S228 PolarHBondContact O-N 2.91Å; T224-S228 VanDerWaalsContact O-N 3.16Å
225L80.6Confident85Confident15 Ų1563 Ų638%0.07932%0.317CS..Hα-helixtrans-67.9-38179.7-169.863.4000112.2I190 D221 E222 D223 R229 L397I190-L225 HydrophobicContact CG2-CD1 4.25Å; I190-L225 HydrophobicContact CG2-CD2 3.89Å; D221-L225 PolarHBondContact O-N 2.98Å; D221-L225 VanDerWaalsContact O-N 3.11Å; E222-L225 PolarHBondContact O-N 3.43Å; D223-L225 VanDerWaalsContact C-N 3.31Å; D223-L225 PolarHBondContact O-N 3.38Å; L225-R229 PolarHBondContact O-NH1 3.24Å; L225-L397 HydrophobicContact CD2-CD1 3.59Å; L225-L397 HydrophobicContact CD2-CD2 4.03Å; L225-L397 HydrophobicContact CD2-CG 4.46Å; L225-L397 HydrophobicContact CG-CD1 3.92Å; L225-L397 HydrophobicContact CG-CD2 4.24Å
226K81.3Confident85.4Confident21 Ų2156 Ų569%0.09129%0.285CS..Hα-helixtrans-63.4-47.3172.9176.8-178.566.9-157.90110.9E222 D223 S228 R229 V230 E259 A393E222-K226 WeakPolarHBondContact O-CB 3.3Å; E222-K226 PolarHBondContact O-N 3.07Å; D223-K226 WeakPolarHBondContact O-CB 3.42Å; D223-K226 PolarHBondContact O-N 2.8Å; D223-K226 IonicContact OD1-NZ 3.22Å; D223-K226 PolarHBondContact OD1-NZ 3.05Å; K226-S228 VanDerWaalsContact C-N 3.31Å; K226-S228 PolarHBondContact O-N 2.9Å; K226-R229 PolarHBondContact O-N 3.28Å; K226-V230 PolarHBondContact O-N 2.79Å; K226-E259 WeakPolarHBondContact CE-OE1 3.46Å; K226-E259 VanDerWaalsContact CE-OE2 3.24Å; K226-E259 WeakPolarHBondContact CE-OE2 3.4Å; K226-E259 IonicContact NZ-OE1 3.99Å; K226-E259 PolarHBondContact NZ-OE1 3.07Å; K226-E259 IonicContact NZ-OE2 2.96Å; K226-E259 PolarHBondContact NZ-OE2 2.86Å; K226-A393 HydrophobicContact CG-CB 4.27Å
227Y85Confident85.8Confident27 Ų2754.8 Ų54.811%0.10628%0.275CS..Hα-helixtrans-63.2-34.7-178.7-57.9-30.1000113.4D223 T224 R229 V230 P255 R256 E259 W300 F390D223-Y227 HydrophobicContact CB-CE2 3.83Å; D223-Y227 WeakPolarHBondContact O-CD1 3.49Å; D223-Y227 WeakPolarHBondContact O-CD2 3.44Å; D223-Y227 WeakPolarHBondContact O-CE2 3.31Å; D223-Y227 PolarHBondContact O-N 3.11Å; T224-Y227 PolarHBondContact O-N 3.02Å; Y227-R229 PolarHBondContact O-N 3.24Å; Y227-R229 VanDerWaalsContact O-N 3.12Å; Y227-V230 PolarHBondContact O-N 3Å; Y227-V230 VanDerWaalsContact O-N 3.09Å; Y227-P255 HydrophobicContact CD1-CB 3.47Å; Y227-P255 VanDerWaalsContact CD1-CB 3.47Å; Y227-P255 HydrophobicContact CD1-CG 4.33Å; Y227-P255 HydrophobicContact CD2-CB 4.01Å; Y227-P255 HydrophobicContact CD2-CG 4Å; Y227-P255 HydrophobicContact CE1-CB 3.91Å; Y227-P255 HydrophobicContact CE2-CB 4.42Å; Y227-P255 HydrophobicContact CG-CB 3.51Å; Y227-P255 HydrophobicContact CG-CG 3.87Å; Y227-R256 HydrophobicContact CD2-CG 4.42Å; Y227-R256 HydrophobicContact CE2-CG 3.47Å; Y227-R256 VanDerWaalsContact CE2-CG 3.47Å; Y227-E259 HydrophobicContact CE1-CB 4.42Å; Y227-E259 WeakPolarHBondContact CE1-OE2 3.47Å; Y227-E259 VanDerWaalsContact CZ-OE2 3.23Å; Y227-E259 PolarHBondContact OH-OE2 3.41Å; Y227-W300 WeakPolarHBondContact OH-CZ2 3.35Å; Y227-F390 HydrophobicContact CD1-CD1 4.06Å; Y227-F390 AromaticContact CD1-CE1 3.72Å; Y227-F390 HydrophobicContact CD1-CE1 3.72Å; Y227-F390 HydrophobicContact CE1-CD1 4.01Å; Y227-F390 AromaticContact CE1-CE1 3.74Å; Y227-F390 HydrophobicContact CE1-CE1 3.74Å
228S81.5Confident86.1Confident91 Ų9152.6 Ų52.664%0.63626%0.261SS*.THydrogen-bonded Turntrans-60.9-21.8175-175.70000114T224 K226T224-S228 PolarHBondContact O-N 2.91Å; T224-S228 VanDerWaalsContact O-N 3.16Å; K226-S228 VanDerWaalsContact C-N 3.31Å; K226-S228 PolarHBondContact O-N 2.9Å
229R82.6Confident86.5Confident43 Ų4354.1 Ų54.116%0.16227%0.269CS..THydrogen-bonded Turntrans-94.5-13179.4-68.9170.7177.570-0112.5L225 K226 Y227 K231 A393 E400L225-R229 PolarHBondContact O-NH1 3.24Å; K226-R229 PolarHBondContact O-N 3.28Å; Y227-R229 PolarHBondContact O-N 3.24Å; Y227-R229 VanDerWaalsContact O-N 3.12Å; R229-K231 PolarHBondContact O-N 2.94Å; R229-A393 HydrophobicContact CB-CB 4.11Å; R229-E400 IonicContact CZ-OE2 3.19Å; R229-E400 VanDerWaalsContact CZ-OE2 3.26Å; R229-E400 IonicContact NE-OE2 3.39Å; R229-E400 PolarHBondContact NE-OE2 3.01Å; R229-E400 IonicContact NH2-OE1 3.89Å; R229-E400 PolarHBondContact NH2-OE1 3.05Å; R229-E400 IonicContact NH2-OE2 2.73Å; R229-E400 PolarHBondContact NH2-OE2 3.43Å
230V86.5Confident86.9Confident6 Ų651.5 Ų51.54%0.03626%0.256CS..  trans-79.5103.2-179.2175.70000109.9K226 Y227 C251 P389 F390 A393K226-V230 PolarHBondContact O-N 2.79Å; Y227-V230 PolarHBondContact O-N 3Å; Y227-V230 VanDerWaalsContact O-N 3.09Å; V230-C251 HydrophobicContact CG1-CB 3.58Å; V230-P389 HydrophobicContact CG1-CB 4.08Å; V230-P389 HydrophobicContact CG1-CG 4.21Å; V230-F390 HydrophobicContact CG1-CE1 4.22Å; V230-F390 HydrophobicContact CG2-CD1 3.66Å; V230-F390 HydrophobicContact CG2-CE1 3.9Å; V230-F390 HydrophobicContact CG2-CG 4.47Å; V230-A393 HydrophobicContact CG2-CB 3.58Å
231K81.7Confident87.2Confident171 Ų17152.9 Ų52.974%0.74326%0.264SS*.  trans-114.6-4.9177.1-63.7-177.4179.7179.70114.2R229R229-K231 PolarHBondContact O-N 2.94Å
232S87.7Confident87.6Confident56 Ų5652.6 Ų52.639%0.39226%0.259SS..SBendtrans-110.4155.2-176.658.10000111.3P389S232-P389 WeakPolarHBondContact O-CB 3.39Å; S232-P389 VanDerWaalsContact OG-CB 3.31Å; S232-P389 WeakPolarHBondContact OG-CB 3.16Å
233K91.6Very high88.3Confident96 Ų9649 Ų4942%0.41725%0.246SC..  trans-81.5148.4-180-58.5-173.6-177.7174.10111Y235 E248 L249 I387K233-Y235 HydrophobicContact CB-CE2 4.4Å; K233-E248 HydrophobicContact CB-CG 4.46Å; K233-E248 HydrophobicContact CD-CG 3.96Å; K233-E248 WeakPolarHBondContact CD-OE1 3.45Å; K233-E248 VanDerWaalsContact CE-OE1 3.31Å; K233-E248 WeakPolarHBondContact CE-OE1 3.48Å; K233-E248 IonicContact NZ-OE1 2.88Å; K233-E248 PolarHBondContact NZ-OE1 3.4Å; K233-L249 WeakPolarHBondContact CA-O 3.19Å; K233-L249 WeakPolarHBondContact CB-O 3.46Å; K233-I387 WeakPolarHBondContact O-CG2 3Å
234G91.9Very high89Confident0 Ų049.4 Ų49.40%025%0.251CS..EExtended strand (participates in β ladder)trans-90.6152172.600000111.7L249 C251 I387G234-L249 PolarHBondContact N-O 3.47Å; G234-L249 PolarHBondContact O-N 2.88Å; G234-C251 PolarHBondContact N-SG 2.97Å; G234-I387 WeakPolarHBondContact CA-O 3.23Å
235Y95.9Very high89.6Confident89 Ų8946.1 Ų46.135%0.34923%0.231SC..EExtended strand (participates in β ladder)trans-131.7124.7174.5-70.1-88.9000110.4K233 F247 E248 F386 I387K233-Y235 HydrophobicContact CB-CE2 4.4Å; Y235-F247 WeakPolarHBondContact CA-O 3.47Å; Y235-E248 HydrophobicContact CD1-CB 4.27Å; Y235-E248 HydrophobicContact CE1-CB 3.97Å; Y235-E248 HydrophobicContact CE1-CG 3.91Å; Y235-F386 PolarHBondContact O-N 3.12Å; Y235-I387 HydrophobicContact CD2-CB 4.04Å; Y235-I387 HydrophobicContact CD2-CD1 3.47Å; Y235-I387 VanDerWaalsContact CD2-CD1 3.47Å; Y235-I387 HydrophobicContact CD2-CG1 4.18Å; Y235-I387 HydrophobicContact CE2-CD1 3.97Å; Y235-I387 HydrophobicContact CG-CD1 4.35Å; Y235-I387 PolarHBondContact N-O 3.17Å; Y235-I387 PolarHBondContact O-N 2.64Å
236V94.8Very high90.4Very high2 Ų248 Ų481%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-134.3140-176.1179.30000109.6L238 F247 L249 F261 I262 C265 A384 V385V236-L238 HydrophobicContact CG1-CD2 4.3Å; V236-F247 PolarHBondContact N-O 2.96Å; V236-F247 PolarHBondContact O-N 2.98Å; V236-L249 HydrophobicContact CB-CD1 4.49Å; V236-L249 HydrophobicContact CG2-CD1 3.65Å; V236-L249 HydrophobicContact CG2-CG 4.45Å; V236-F261 HydrophobicContact CB-CE1 4.16Å; V236-F261 HydrophobicContact CG1-CE1 3.91Å; V236-F261 HydrophobicContact CG2-CE1 4.41Å; V236-I262 HydrophobicContact CG2-CG1 4.07Å; V236-C265 HydrophobicContact CG1-CB 4.22Å; V236-A384 WeakPolarHBondContact CA-O 3.49Å; V236-V385 HydrophobicContact CG1-CG2 4.46Å; V236-V385 HydrophobicContact CG2-CG1 4.28Å; V236-V385 HydrophobicContact CG2-CG2 4.12Å
237R95Very high91.1Very high94 Ų9447 Ų4736%0.35524%0.237SC..EExtended strand (participates in β ladder)trans-117.7128.5172.1170.1176-178-177.60.7110.4V239 P244 L245 N246 S383 A384 F386R237-V239 HydrophobicContact CG-CG2 4.31Å; R237-P244 HydrophobicContact CG-CB 4.44Å; R237-P244 VanDerWaalsContact NE-CB 3.34Å; R237-L245 CarbonylContact C-O 3.59Å; R237-L245 VanDerWaalsContact CA-O 3.31Å; R237-L245 WeakPolarHBondContact CA-O 3.27Å; R237-N246 WeakPolarHBondContact CB-OD1 3.45Å; R237-N246 VanDerWaalsContact CD-OD1 3.23Å; R237-N246 WeakPolarHBondContact CD-OD1 3.46Å; R237-N246 WeakPolarHBondContact CG-OD1 3.44Å; R237-S383 WeakPolarHBondContact O-CA 3.34Å; R237-A384 PolarHBondContact N-O 3.21Å; R237-A384 PolarHBondContact O-N 3.01Å; R237-F386 HydrophobicContact CB-CD2 4.34Å; R237-F386 HydrophobicContact CB-CE2 3.51Å; R237-F386 HydrophobicContact CB-CZ 4.28Å; R237-F386 HydrophobicContact CG-CE2 4.47Å
238L93.9Very high91.6Very high0 Ų046 Ų460%023%0.233CC..EExtended strand (participates in β ladder)trans-104.1121.8169.2-58.8-175000108.4V236 P244 L245 F247 F261 F334 I380V236-L238 HydrophobicContact CG1-CD2 4.3Å; L238-P244 CarbonylContact O-C 3.36Å; L238-P244 WeakPolarHBondContact O-CA 3.34Å; L238-L245 PolarHBondContact N-O 3.4Å; L238-L245 PolarHBondContact O-N 2.86Å; L238-F247 HydrophobicContact CB-CE2 4.33Å; L238-F247 HydrophobicContact CD1-CD2 4.44Å; L238-F247 HydrophobicContact CD1-CE2 3.83Å; L238-F247 HydrophobicContact CG-CD2 4.31Å; L238-F247 HydrophobicContact CG-CE2 3.99Å; L238-F261 HydrophobicContact CD1-CZ 4.01Å; L238-F334 HydrophobicContact CD1-CZ 3.99Å; L238-I380 HydrophobicContact CB-CG2 4.45Å; L238-I380 HydrophobicContact CD1-CD1 4.04Å; L238-I380 HydrophobicContact CD2-CG2 4.42Å
239V94.3Very high92.3Very high41 Ų4141.7 Ų41.725%0.24820%0.203CC..EExtended strand (participates in β ladder)trans-92.7114.3172.8-176.30000107.5R237 V381 S382R237-V239 HydrophobicContact CG-CG2 4.31Å; V239-V381 PolarHBondContact O-N 3.42Å; V239-S382 WeakPolarHBondContact CB-OG 3.3Å; V239-S382 WeakPolarHBondContact CG2-OG 3.5Å; V239-S382 PolarHBondContact N-O 2.77Å; V239-S382 PolarHBondContact O-N 2.82Å
240T93.1Very high92.8Very high5 Ų541 Ų413%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-101.3165.917572.90000110.2K242 G243 L245 F275 V379 I380T240-K242 PolarHBondContact O-N 3.31Å; T240-K242 PolarHBondContact OG1-N 2.75Å; T240-G243 WeakPolarHBondContact CA-O 3.45Å; T240-G243 WeakPolarHBondContact CB-O 3.27Å; T240-G243 PolarHBondContact N-O 2.83Å; T240-G243 PolarHBondContact O-N 2.87Å; T240-G243 PolarHBondContact OG1-N 3.49Å; T240-G243 PolarHBondContact OG1-O 3.18Å; T240-L245 HydrophobicContact CG2-CD1 3.94Å; T240-L245 HydrophobicContact CG2-CG 4.48Å; T240-F275 HydrophobicContact CG2-CE2 3.87Å; T240-V379 VanDerWaalsContact CA-O 3.27Å; T240-V379 WeakPolarHBondContact CA-O 3.44Å; T240-I380 HydrophobicContact CG2-CG1 4.34Å
241N91.4Very high92.9Very high74 Ų7440.8 Ų40.840%0.39620%0.2SC..THydrogen-bonded Turntrans-58.9-24.2172.163.7-36000114N377 I378 V379N241-N377 PolarHBondContact ND2-O 2.86Å; N241-I378 WeakPolarHBondContact OD1-CA 3.02Å; N241-I378 VanDerWaalsContact OD1-CG2 3.29Å; N241-I378 WeakPolarHBondContact OD1-CG2 3.3Å; N241-V379 HydrophobicContact CB-CG2 4.22Å; N241-V379 PolarHBondContact N-O 3.2Å; N241-V379 VanDerWaalsContact N-O 3.14Å; N241-V379 PolarHBondContact OD1-N 3.3Å
242K90.5Very high93.2Very high76 Ų7639.1 Ų39.133%0.3320%0.195SC..THydrogen-bonded Turntrans-90.4-8.3176.3-64.5-63.9-175.2179.80113.5T240 T360 I364 E376 I378T240-K242 PolarHBondContact O-N 3.31Å; T240-K242 PolarHBondContact OG1-N 2.75Å; K242-T360 HydrophobicContact CB-CG2 4.22Å; K242-I364 HydrophobicContact CB-CG1 3.94Å; K242-I364 HydrophobicContact CG-CG1 4.06Å; K242-E376 WeakPolarHBondContact CE-OE2 3.31Å; K242-E376 IonicContact NZ-OE2 3.4Å; K242-E376 PolarHBondContact NZ-OE2 3.04Å; K242-I378 HydrophobicContact CG-CG2 4.45Å
243G92.7Very high93.3Very high17 Ų1738.8 Ų38.818%0.17519%0.189CC..EExtended strand (participates in β ladder)trans137.5-179-178.700000113.9T240 T360T240-G243 WeakPolarHBondContact CA-O 3.45Å; T240-G243 WeakPolarHBondContact CB-O 3.27Å; T240-G243 PolarHBondContact N-O 2.83Å; T240-G243 PolarHBondContact O-N 2.87Å; T240-G243 PolarHBondContact OG1-N 3.49Å; T240-G243 PolarHBondContact OG1-O 3.18Å; G243-T360 WeakPolarHBondContact O-CG2 3.21Å
244P95Very high93.3Very high45 Ų4534.2 Ų34.229%0.29217%0.169SC..EExtended strand (participates in β ladder)trans-81.7146.6178.732.9-33.7000112.7R237 L238 G357 T360R237-P244 HydrophobicContact CG-CB 4.44Å; R237-P244 VanDerWaalsContact NE-CB 3.34Å; L238-P244 CarbonylContact O-C 3.36Å; L238-P244 WeakPolarHBondContact O-CA 3.34Å; P244-G357 VanDerWaalsContact O-CA 3.32Å; P244-G357 WeakPolarHBondContact O-CA 3.36Å; P244-T360 WeakPolarHBondContact O-CB 3.45Å; P244-T360 PolarHBondContact O-OG1 2.8Å
245L95Very high93.4Very high0 Ų035.1 Ų35.10%017%0.174CC..EExtended strand (participates in β ladder)trans-123.5119.1170.6-65.4171.7000108.6R237 L238 T240 F247 I336 L354 G357 T360 L361 I364R237-L245 CarbonylContact C-O 3.59Å; R237-L245 VanDerWaalsContact CA-O 3.31Å; R237-L245 WeakPolarHBondContact CA-O 3.27Å; L238-L245 PolarHBondContact N-O 3.4Å; L238-L245 PolarHBondContact O-N 2.86Å; T240-L245 HydrophobicContact CG2-CD1 3.94Å; T240-L245 HydrophobicContact CG2-CG 4.48Å; L245-F247 HydrophobicContact CB-CE2 3.6Å; L245-F247 HydrophobicContact CB-CZ 3.77Å; L245-F247 HydrophobicContact CD1-CZ 4.2Å; L245-I336 HydrophobicContact CD1-CD1 4.08Å; L245-L354 HydrophobicContact CB-CD1 3.9Å; L245-L354 HydrophobicContact CD2-CD1 3.87Å; L245-L354 HydrophobicContact CD2-CD2 4.15Å; L245-L354 HydrophobicContact CG-CD1 4.49Å; L245-G357 WeakPolarHBondContact CD2-O 3.49Å; L245-T360 HydrophobicContact CD2-CG2 3.92Å; L245-T360 HydrophobicContact CG-CG2 4.07Å; L245-L361 HydrophobicContact CD2-CB 4.26Å; L245-I364 HydrophobicContact CD1-CD1 4.19Å
246N96.3Very high93.1Very high54 Ų5434.6 Ų34.629%0.28917%0.172SC..EExtended strand (participates in β ladder)trans-106.4121-178.8-63.5-21.1000109.7R237 L354 V355 G356R237-N246 WeakPolarHBondContact CB-OD1 3.45Å; R237-N246 VanDerWaalsContact CD-OD1 3.23Å; R237-N246 WeakPolarHBondContact CD-OD1 3.46Å; R237-N246 WeakPolarHBondContact CG-OD1 3.44Å; N246-L354 WeakPolarHBondContact O-CA 3.38Å; N246-L354 WeakPolarHBondContact O-CD1 3.29Å; N246-V355 HydrophobicContact CB-CG2 4.05Å; N246-V355 WeakPolarHBondContact O-CG2 3.46Å; N246-V355 PolarHBondContact O-N 3.38Å; N246-G356 PolarHBondContact N-O 3.07Å; N246-G356 PolarHBondContact O-N 3.2Å
247F96.4Very high93Very high1 Ų134.5 Ų34.50%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-111.1138.2-178.4-59.9-77.5000111.6Y235 V236 L238 L245 L249 L320 I336 R353 L354Y235-F247 WeakPolarHBondContact CA-O 3.47Å; V236-F247 PolarHBondContact N-O 2.96Å; V236-F247 PolarHBondContact O-N 2.98Å; L238-F247 HydrophobicContact CB-CE2 4.33Å; L238-F247 HydrophobicContact CD1-CD2 4.44Å; L238-F247 HydrophobicContact CD1-CE2 3.83Å; L238-F247 HydrophobicContact CG-CD2 4.31Å; L238-F247 HydrophobicContact CG-CE2 3.99Å; L245-F247 HydrophobicContact CB-CE2 3.6Å; L245-F247 HydrophobicContact CB-CZ 3.77Å; L245-F247 HydrophobicContact CD1-CZ 4.2Å; F247-L249 HydrophobicContact CB-CD2 4.25Å; F247-L320 HydrophobicContact CB-CD2 4.27Å; F247-L320 HydrophobicContact CD1-CB 4.23Å; F247-L320 HydrophobicContact CD1-CD1 4.47Å; F247-L320 HydrophobicContact CD1-CD2 3.8Å; F247-L320 HydrophobicContact CD1-CG 4.4Å; F247-L320 HydrophobicContact CE1-CB 4.44Å; F247-L320 HydrophobicContact CE1-CD1 4.18Å; F247-L320 HydrophobicContact CE1-CD2 4.31Å; F247-L320 HydrophobicContact CG-CD2 4.01Å; F247-I336 HydrophobicContact CE1-CD1 4Å; F247-I336 HydrophobicContact CE1-CG1 4.1Å; F247-I336 HydrophobicContact CZ-CD1 3.59Å; F247-I336 HydrophobicContact CZ-CG1 4.14Å; F247-R353 CarbonylContact C-O 3.55Å; F247-R353 WeakPolarHBondContact CA-O 3.33Å; F247-L354 HydrophobicContact CD1-CB 4.25Å; F247-L354 HydrophobicContact CD1-CD1 3.82Å; F247-L354 HydrophobicContact CE1-CB 4.14Å; F247-L354 HydrophobicContact CE1-CD1 3.43Å; F247-L354 VanDerWaalsContact CE1-CD1 3.43Å; F247-L354 HydrophobicContact CE1-CG 4.37Å; F247-L354 HydrophobicContact CE2-CD1 4.36Å; F247-L354 HydrophobicContact CG-CD1 4.45Å; F247-L354 HydrophobicContact CZ-CD1 3.73Å
248E95.7Very high92.9Very high6 Ų630 Ų303%0.02815%0.154CC..EExtended strand (participates in β ladder)trans-100.6125.4164.5178.5-170.8158.200108K233 Y235 G352 R353 V355K233-E248 HydrophobicContact CB-CG 4.46Å; K233-E248 HydrophobicContact CD-CG 3.96Å; K233-E248 WeakPolarHBondContact CD-OE1 3.45Å; K233-E248 VanDerWaalsContact CE-OE1 3.31Å; K233-E248 WeakPolarHBondContact CE-OE1 3.48Å; K233-E248 IonicContact NZ-OE1 2.88Å; K233-E248 PolarHBondContact NZ-OE1 3.4Å; Y235-E248 HydrophobicContact CD1-CB 4.27Å; Y235-E248 HydrophobicContact CE1-CB 3.97Å; Y235-E248 HydrophobicContact CE1-CG 3.91Å; E248-G352 CarbonylContact O-C 3.55Å; E248-G352 WeakPolarHBondContact O-CA 3.45Å; E248-R353 HydrophobicContact CB-CG 4.15Å; E248-R353 PolarHBondContact N-O 3.28Å; E248-R353 PolarHBondContact O-N 2.7Å; E248-R353 IonicContact OE1-CZ 3.66Å; E248-R353 IonicContact OE1-NE 3.83Å; E248-R353 IonicContact OE1-NH2 2.68Å; E248-R353 PolarHBondContact OE1-NH2 2.65Å; E248-R353 IonicContact OE2-CZ 2.68Å; E248-R353 IonicContact OE2-NE 3.94Å; E248-R353 PolarHBondContact OE2-NE 2.69Å; E248-R353 IonicContact OE2-NH2 3.48Å; E248-R353 PolarHBondContact OE2-NH2 3.48Å; E248-V355 HydrophobicContact CB-CG1 3.54Å; E248-V355 HydrophobicContact CB-CG2 4.4Å; E248-V355 VanDerWaalsContact OE2-CG1 3.25Å; E248-V355 WeakPolarHBondContact OE2-CG1 3.35Å
249L95.4Very high92.9Very high0 Ų031 Ų310%016%0.159CC..EExtended strand (participates in β ladder)trans-103.5134.5-175.4-55.8-178.7000110.9K233 G234 V236 F247 C251 F261 I262 L320 F351K233-L249 WeakPolarHBondContact CA-O 3.19Å; K233-L249 WeakPolarHBondContact CB-O 3.46Å; G234-L249 PolarHBondContact N-O 3.47Å; G234-L249 PolarHBondContact O-N 2.88Å; V236-L249 HydrophobicContact CB-CD1 4.49Å; V236-L249 HydrophobicContact CG2-CD1 3.65Å; V236-L249 HydrophobicContact CG2-CG 4.45Å; F247-L249 HydrophobicContact CB-CD2 4.25Å; L249-C251 VanDerWaalsContact C-N 3.31Å; L249-C251 PolarHBondContact O-N 3.05Å; L249-C251 VanDerWaalsContact O-N 3.17Å; L249-F261 HydrophobicContact CD1-CD1 3.91Å; L249-F261 HydrophobicContact CD1-CE1 4.47Å; L249-F261 HydrophobicContact CD2-CD1 4.17Å; L249-F261 HydrophobicContact CD2-CE1 4.32Å; L249-I262 HydrophobicContact CD1-CD1 3.81Å; L249-I262 HydrophobicContact CD1-CG1 3.53Å; L249-L320 HydrophobicContact CD2-CD2 3.88Å; L249-F351 CarbonylContact C-O 3.47Å; L249-F351 WeakPolarHBondContact CA-O 3.49Å; L249-F351 HydrophobicContact CD2-CD2 3.94Å; L249-F351 HydrophobicContact CD2-CE2 3.93Å
250H93.1Very high92.8Very high28 Ų2829.1 Ų29.113%0.1315%0.147CC..  trans-89.663.6179.9-62.1-41.1000111E252 L253 A254 C258 L312 F351H250-E252 PolarHBondContact O-N 3.23Å; H250-E252 VanDerWaalsContact O-N 3.11Å; H250-L253 HydrophobicContact CB-CB 4.39Å; H250-L253 HydrophobicContact CB-CD1 4.47Å; H250-L253 PolarHBondContact O-N 3.48Å; H250-A254 PolarHBondContact O-N 2.88Å; H250-C258 VanDerWaalsContact C-SG 3.57Å; H250-L312 HydrophobicContact CB-CD1 4.41Å; H250-F351 PolarHBondContact N-O 3.38Å
251C89.3Confident92.8Very high1 Ų128.9 Ų28.91%0.00715%0.146CC..THydrogen-bonded Turntrans-61.7-21.5-174-54.50000114.5V230 G234 L249 P255 C258 P389 F390V230-C251 HydrophobicContact CG1-CB 3.58Å; G234-C251 PolarHBondContact N-SG 2.97Å; L249-C251 VanDerWaalsContact C-N 3.31Å; L249-C251 PolarHBondContact O-N 3.05Å; L249-C251 VanDerWaalsContact O-N 3.17Å; C251-P255 WeakPolarHBondContact O-CA 3.35Å; C251-P255 WeakPolarHBondContact O-CB 3.33Å; C251-C258 HydrophobicContact CB-CB 4.22Å; C251-P389 HydrophobicContact CB-CG 3.82Å; C251-P389 WeakPolarHBondContact SG-CG 3.12Å; C251-F390 HydrophobicContact CB-CE2 4.01Å; C251-F390 HydrophobicContact CB-CZ 3.73Å
252E88.7Confident92.9Very high137 Ų13725.3 Ų25.364%0.6413%0.127SC*.THydrogen-bonded Turntrans-74-35.7174.2-176.6-179.7-172.900112.4H250H250-E252 PolarHBondContact O-N 3.23Å; H250-E252 VanDerWaalsContact O-N 3.11Å
253L90Very high93Very high49 Ų4923.8 Ų23.826%0.25712%0.124SC..THydrogen-bonded Turntrans-94.8-33-171.3-58.9177.8000112.9H250 T309 L312H250-L253 HydrophobicContact CB-CB 4.39Å; H250-L253 HydrophobicContact CB-CD1 4.47Å; H250-L253 PolarHBondContact O-N 3.48Å; L253-T309 HydrophobicContact CD2-CG2 4.1Å; L253-T309 PolarHBondContact O-OG1 2.86Å; L253-L312 HydrophobicContact CB-CD1 3.94Å; L253-L312 HydrophobicContact CD1-CD1 3.72Å; L253-L312 HydrophobicContact CD1-CD2 3.81Å; L253-L312 HydrophobicContact CD1-CG 3.67Å; L253-L312 HydrophobicContact CG-CD1 4.5Å
254A91.7Very high93.1Very high0 Ų023.4 Ų23.40%012%0.118CC..SBendtrans-134.966.817900000110.1H250 A257 C258 E307 T349 F351H250-A254 PolarHBondContact O-N 2.88Å; A254-A257 HydrophobicContact CB-CB 4.27Å; A254-C258 WeakPolarHBondContact O-CB 3.47Å; A254-C258 PolarHBondContact O-N 3.2Å; A254-C258 PolarHBondContact O-SG 2.91Å; A254-E307 VanDerWaalsContact CA-OE2 3.27Å; A254-E307 WeakPolarHBondContact CA-OE2 3.37Å; A254-E307 HydrophobicContact CB-CB 4.17Å; A254-T349 HydrophobicContact CB-CG2 3.82Å; A254-F351 HydrophobicContact CB-CB 3.75Å
255P92.1Very high92.9Very high18 Ų1821.5 Ų21.512%0.11711%0.105CC..Hα-helixtrans-63.4-41.9-173.121.6-31.4000113.4Y227 C251 C258 E259 E307 F390Y227-P255 HydrophobicContact CD1-CB 3.47Å; Y227-P255 VanDerWaalsContact CD1-CB 3.47Å; Y227-P255 HydrophobicContact CD1-CG 4.33Å; Y227-P255 HydrophobicContact CD2-CB 4.01Å; Y227-P255 HydrophobicContact CD2-CG 4Å; Y227-P255 HydrophobicContact CE1-CB 3.91Å; Y227-P255 HydrophobicContact CE2-CB 4.42Å; Y227-P255 HydrophobicContact CG-CB 3.51Å; Y227-P255 HydrophobicContact CG-CG 3.87Å; C251-P255 WeakPolarHBondContact O-CA 3.35Å; C251-P255 WeakPolarHBondContact O-CB 3.33Å; P255-C258 PolarHBondContact O-N 3.36Å; P255-E259 WeakPolarHBondContact O-CB 3.49Å; P255-E259 PolarHBondContact O-N 3.1Å; P255-E307 VanDerWaalsContact CD-OE1 3.27Å; P255-E307 WeakPolarHBondContact CD-OE1 3.37Å; P255-E307 WeakPolarHBondContact CG-OE1 3.44Å; P255-F390 HydrophobicContact CB-CE1 4.03Å; P255-F390 HydrophobicContact CB-CZ 4.34Å; P255-F390 WeakPolarHBondContact O-CZ 3.24Å
256R90.9Very high92.7Very high78 Ų7826.1 Ų26.129%0.29413%0.125SC..Hα-helixtrans-66.3-44.9-179.3-67.9174.9168-167.4-5.1111.3Y227 C258 E259 N260 W300 F304 E307Y227-R256 HydrophobicContact CD2-CG 4.42Å; Y227-R256 HydrophobicContact CE2-CG 3.47Å; Y227-R256 VanDerWaalsContact CE2-CG 3.47Å; R256-C258 VanDerWaalsContact C-N 3.34Å; R256-C258 PolarHBondContact O-N 3.15Å; R256-E259 PolarHBondContact O-N 3.04Å; R256-N260 VanDerWaalsContact O-CB 3.23Å; R256-N260 WeakPolarHBondContact O-CB 3.31Å; R256-N260 PolarHBondContact O-N 3.24Å; R256-W300 HydrophobicContact CB-CH2 3.87Å; R256-W300 HydrophobicContact CB-CZ3 4.48Å; R256-W300 HydrophobicContact CG-CH2 4.3Å; R256-W300 WeakPolarHBondContact O-CH2 3.47Å; R256-F304 HydrophobicContact CB-CD2 4.07Å; R256-F304 HydrophobicContact CB-CE2 4.31Å; R256-E307 WeakPolarHBondContact CB-OE1 3.39Å; R256-E307 WeakPolarHBondContact CB-OE2 3.42Å; R256-E307 VanDerWaalsContact CG-OE1 3.3Å; R256-E307 WeakPolarHBondContact CG-OE1 3.29Å; R256-E307 PolarHBondContact N-OE1 2.89Å; R256-E307 PolarHBondContact N-OE2 2.96Å
257A92.4Very high92.3Very high0 Ų028.3 Ų28.30%014%0.14CC..Hα-helixtrans-63-42.217700000111.8A254 F261 F304 E307 M322 T349 F351A254-A257 HydrophobicContact CB-CB 4.27Å; A257-F261 WeakPolarHBondContact O-CB 3.46Å; A257-F261 PolarHBondContact O-N 3.29Å; A257-F304 HydrophobicContact CB-CE2 4.09Å; A257-F304 HydrophobicContact CB-CZ 4.25Å; A257-E307 PolarHBondContact N-OE2 3.44Å; A257-M322 HydrophobicContact CB-CG 3.84Å; A257-M322 HydrophobicContact CB-SD 4.42Å; A257-T349 HydrophobicContact CB-CG2 3.72Å; A257-F351 HydrophobicContact CB-CB 3.65Å; A257-F351 HydrophobicContact CB-CD1 4.16Å; A257-F351 HydrophobicContact CB-CG 3.91Å
258C93.4Very high92Very high0 Ų029.1 Ų29.10%015%0.15CC..Hα-helixtrans-66.4-43.2177.8-70.40000112.4H250 C251 A254 P255 R256 F261 I262 F351 F390H250-C258 VanDerWaalsContact C-SG 3.57Å; C251-C258 HydrophobicContact CB-CB 4.22Å; A254-C258 WeakPolarHBondContact O-CB 3.47Å; A254-C258 PolarHBondContact O-N 3.2Å; A254-C258 PolarHBondContact O-SG 2.91Å; P255-C258 PolarHBondContact O-N 3.36Å; R256-C258 VanDerWaalsContact C-N 3.34Å; R256-C258 PolarHBondContact O-N 3.15Å; C258-F261 PolarHBondContact O-N 3.46Å; C258-I262 WeakPolarHBondContact O-CB 3.36Å; C258-I262 VanDerWaalsContact O-CG1 3.3Å; C258-I262 WeakPolarHBondContact O-CG1 3.37Å; C258-I262 PolarHBondContact O-N 3.31Å; C258-F351 PolarHBondContact SG-O 3.13Å; C258-F390 HydrophobicContact CB-CE2 3.74Å; C258-F390 HydrophobicContact CB-CZ 3.73Å
259E92.5Very high91.8Very high22 Ų2231.8 Ų31.810%0.10316%0.16CC..Hα-helixtrans-62.7-49.3177.1178.8171.3-155.300110.8K226 Y227 P255 R256 F261 I262 V263 I299 F390K226-E259 WeakPolarHBondContact CE-OE1 3.46Å; K226-E259 VanDerWaalsContact CE-OE2 3.24Å; K226-E259 WeakPolarHBondContact CE-OE2 3.4Å; K226-E259 IonicContact NZ-OE1 3.99Å; K226-E259 PolarHBondContact NZ-OE1 3.07Å; K226-E259 IonicContact NZ-OE2 2.96Å; K226-E259 PolarHBondContact NZ-OE2 2.86Å; Y227-E259 HydrophobicContact CE1-CB 4.42Å; Y227-E259 WeakPolarHBondContact CE1-OE2 3.47Å; Y227-E259 VanDerWaalsContact CZ-OE2 3.23Å; Y227-E259 PolarHBondContact OH-OE2 3.41Å; P255-E259 WeakPolarHBondContact O-CB 3.49Å; P255-E259 PolarHBondContact O-N 3.1Å; R256-E259 PolarHBondContact O-N 3.04Å; E259-F261 VanDerWaalsContact C-N 3.26Å; E259-F261 PolarHBondContact O-N 2.96Å; E259-I262 PolarHBondContact O-N 3.23Å; E259-V263 HydrophobicContact CG-CG2 4.05Å; E259-V263 WeakPolarHBondContact O-CB 3.4Å; E259-V263 VanDerWaalsContact O-CG2 3.31Å; E259-V263 WeakPolarHBondContact O-CG2 3.47Å; E259-V263 PolarHBondContact O-N 2.94Å; E259-I299 HydrophobicContact CG-CD1 3.97Å; E259-F390 HydrophobicContact CB-CD1 4.23Å; E259-F390 HydrophobicContact CB-CD2 4.14Å; E259-F390 HydrophobicContact CB-CE1 4.09Å; E259-F390 HydrophobicContact CB-CE2 3.99Å; E259-F390 HydrophobicContact CB-CG 4.26Å; E259-F390 HydrophobicContact CB-CZ 3.98Å; E259-F390 HydrophobicContact CG-CG 4.49Å
260N92.7Very high91.6Very high0 Ų031.8 Ų31.80%016%0.16CC..Hα-helixtrans-52.7-47.7176.3-176.267.2000110.9R256 H264 S298 I299 W300 F304 T331R256-N260 VanDerWaalsContact O-CB 3.23Å; R256-N260 WeakPolarHBondContact O-CB 3.31Å; R256-N260 PolarHBondContact O-N 3.24Å; N260-H264 WeakPolarHBondContact O-CB 3.24Å; N260-H264 PolarHBondContact O-CD2 3.42Å; N260-H264 PolarHBondContact O-N 3.27Å; N260-H264 PolarHBondContact OD1-NE2 3.28Å; N260-S298 WeakPolarHBondContact OD1-CA 3.48Å; N260-S298 WeakPolarHBondContact OD1-CB 3.37Å; N260-I299 HydrophobicContact CB-CG1 4.49Å; N260-I299 PolarHBondContact OD1-N 3.03Å; N260-W300 HydrophobicContact CB-CH2 4.26Å; N260-W300 HydrophobicContact CB-CZ3 3.97Å; N260-F304 HydrophobicContact CB-CE1 4.21Å; N260-F304 HydrophobicContact CB-CZ 4.37Å; N260-T331 PolarHBondContact ND2-O 3.2Å
261F94.1Very high91.5Very high0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-65.5-45.7178.9-172.1-98.5000113.3V236 L238 L249 A257 C258 E259 H264 C265 Y270 L320 F334 F351V236-F261 HydrophobicContact CB-CE1 4.16Å; V236-F261 HydrophobicContact CG1-CE1 3.91Å; V236-F261 HydrophobicContact CG2-CE1 4.41Å; L238-F261 HydrophobicContact CD1-CZ 4.01Å; L249-F261 HydrophobicContact CD1-CD1 3.91Å; L249-F261 HydrophobicContact CD1-CE1 4.47Å; L249-F261 HydrophobicContact CD2-CD1 4.17Å; L249-F261 HydrophobicContact CD2-CE1 4.32Å; A257-F261 WeakPolarHBondContact O-CB 3.46Å; A257-F261 PolarHBondContact O-N 3.29Å; C258-F261 PolarHBondContact O-N 3.46Å; E259-F261 VanDerWaalsContact C-N 3.26Å; E259-F261 PolarHBondContact O-N 2.96Å; F261-H264 PolarHBondContact O-N 3.1Å; F261-C265 WeakPolarHBondContact O-CB 3.41Å; F261-C265 PolarHBondContact O-N 2.85Å; F261-C265 PolarHBondContact O-SG 3.43Å; F261-Y270 AromaticContact CD2-CE2 3.69Å; F261-Y270 HydrophobicContact CD2-CE2 3.69Å; F261-Y270 AromaticContact CD2-CZ 4Å; F261-Y270 AromaticContact CE2-CE2 3.85Å; F261-Y270 HydrophobicContact CE2-CE2 3.85Å; F261-Y270 HydrophobicContact CG-CE2 4.37Å; F261-L320 HydrophobicContact CE1-CD2 4.47Å; F261-L320 HydrophobicContact CZ-CD2 4.27Å; F261-F334 HydrophobicContact CD2-CD1 4.22Å; F261-F334 AromaticContact CE2-CD1 3.8Å; F261-F334 HydrophobicContact CE2-CD1 3.8Å; F261-F334 AromaticContact CE2-CE1 3.75Å; F261-F334 HydrophobicContact CE2-CE1 3.75Å; F261-F334 HydrophobicContact CE2-CE2 4.48Å; F261-F334 HydrophobicContact CE2-CG 4.2Å; F261-F334 HydrophobicContact CE2-CZ 4.1Å; F261-F351 HydrophobicContact CB-CD2 4.4Å; F261-F351 HydrophobicContact CB-CE2 3.64Å; F261-F351 HydrophobicContact CB-CZ 4.19Å; F261-F351 AromaticContact CD1-CE2 3.97Å; F261-F351 HydrophobicContact CD1-CE2 3.97Å; F261-F351 AromaticContact CD2-CE2 3.81Å; F261-F351 HydrophobicContact CD2-CE2 3.81Å; F261-F351 AromaticContact CD2-CZ 3.73Å; F261-F351 HydrophobicContact CD2-CZ 3.73Å; F261-F351 HydrophobicContact CE2-CE2 4.43Å; F261-F351 HydrophobicContact CE2-CZ 4.25Å; F261-F351 AromaticContact CG-CE2 3.54Å; F261-F351 HydrophobicContact CG-CE2 3.54Å; F261-F351 AromaticContact CG-CZ 3.97Å; F261-F351 HydrophobicContact CG-CZ 3.97Å
262I93.3Very high91.5Very high0 Ų039.7 Ų39.70%020%0.202CC..Hα-helixtrans-63.7-45.2179.8-73.7174.3000111V236 L249 C258 E259 C265 K266 V385 D388 F390V236-I262 HydrophobicContact CG2-CG1 4.07Å; L249-I262 HydrophobicContact CD1-CD1 3.81Å; L249-I262 HydrophobicContact CD1-CG1 3.53Å; C258-I262 WeakPolarHBondContact O-CB 3.36Å; C258-I262 VanDerWaalsContact O-CG1 3.3Å; C258-I262 WeakPolarHBondContact O-CG1 3.37Å; C258-I262 PolarHBondContact O-N 3.31Å; E259-I262 PolarHBondContact O-N 3.23Å; I262-C265 WeakPolarHBondContact O-CB 3.02Å; I262-C265 PolarHBondContact O-N 3.32Å; I262-C265 VanDerWaalsContact O-N 3.16Å; I262-K266 HydrophobicContact CG2-CD 4.3Å; I262-K266 HydrophobicContact CG2-CG 4.5Å; I262-K266 PolarHBondContact O-N 3.42Å; I262-V385 HydrophobicContact CG2-CG1 4.04Å; I262-V385 HydrophobicContact CG2-CG2 4.35Å; I262-D388 HydrophobicContact CG2-CB 4.39Å; I262-D388 WeakPolarHBondContact CG2-OD2 3.46Å; I262-F390 HydrophobicContact CD1-CD2 3.82Å; I262-F390 HydrophobicContact CD1-CE2 3.81Å
263V92.9Very high91.6Very high44 Ų4433.3 Ų33.327%0.26717%0.172SC..Hα-helixtrans-66.6-41.1-179.8171.40000110.7E259 C265 K266 T267 I299E259-V263 HydrophobicContact CG-CG2 4.05Å; E259-V263 WeakPolarHBondContact O-CB 3.4Å; E259-V263 VanDerWaalsContact O-CG2 3.31Å; E259-V263 WeakPolarHBondContact O-CG2 3.47Å; E259-V263 PolarHBondContact O-N 2.94Å; V263-C265 VanDerWaalsContact C-N 3.29Å; V263-C265 PolarHBondContact O-N 3.14Å; V263-K266 PolarHBondContact O-N 3.36Å; V263-T267 HydrophobicContact CG1-CG2 4.26Å; V263-T267 WeakPolarHBondContact O-CB 3.04Å; V263-T267 WeakPolarHBondContact O-CG2 3.47Å; V263-T267 PolarHBondContact O-N 2.85Å; V263-T267 PolarHBondContact O-OG1 3.39Å; V263-I299 HydrophobicContact CB-CD1 4.45Å; V263-I299 HydrophobicContact CB-CG2 3.84Å; V263-I299 HydrophobicContact CG1-CB 4.36Å; V263-I299 HydrophobicContact CG1-CG2 3.61Å; V263-I299 HydrophobicContact CG2-CD1 4.39Å
264H93.2Very high91.7Very high9 Ų932.9 Ų32.94%0.04217%0.17CC..Hα-helixtrans-61.9-35.9171.4-77-51.5000112.7N260 F261 T267 G268 Y269 Y270 E297N260-H264 WeakPolarHBondContact O-CB 3.24Å; N260-H264 PolarHBondContact O-CD2 3.42Å; N260-H264 PolarHBondContact O-N 3.27Å; N260-H264 PolarHBondContact OD1-NE2 3.28Å; F261-H264 PolarHBondContact O-N 3.1Å; H264-T267 WeakPolarHBondContact CA-OG1 3.42Å; H264-T267 PolarHBondContact O-OG1 3.1Å; H264-G268 PolarHBondContact O-N 3.36Å; H264-Y269 HydrophobicContact CB-CD1 4.3Å; H264-Y269 HydrophobicContact CB-CG 4.43Å; H264-Y269 AromaticContact CE1-CD1 3.9Å; H264-Y269 AromaticContact CE1-CG 3.95Å; H264-Y269 AromaticContact CG-CD1 3.91Å; H264-Y269 WeakPolarHBondContact ND1-CB 3.43Å; H264-Y269 AromaticContact ND1-CD1 3.43Å; H264-Y269 WeakPolarHBondContact ND1-CD1 3.41Å; H264-Y269 AromaticContact ND1-CD2 3.83Å; H264-Y269 AromaticContact ND1-CG 3.29Å; H264-Y269 VanDerWaalsContact ND1-CG 3.29Å; H264-Y269 WeakPolarHBondContact O-CB 3.42Å; H264-Y269 PolarHBondContact O-N 2.83Å; H264-Y270 HydrophobicContact CB-CD2 3.84Å; H264-Y270 HydrophobicContact CB-CE1 4.45Å; H264-Y270 HydrophobicContact CB-CE2 3.34Å; H264-E297 PolarHBondContact CE1-O 3.48Å; H264-E297 PolarHBondContact NE2-O 2.93Å
265C91.4Very high91.7Very high4 Ų432.9 Ų32.93%0.02717%0.17CC..Hα-helixtrans-68-39173.8-69.30000112.7V236 F261 I262 V263 S383 V385V236-C265 HydrophobicContact CG1-CB 4.22Å; F261-C265 WeakPolarHBondContact O-CB 3.41Å; F261-C265 PolarHBondContact O-N 2.85Å; F261-C265 PolarHBondContact O-SG 3.43Å; I262-C265 WeakPolarHBondContact O-CB 3.02Å; I262-C265 PolarHBondContact O-N 3.32Å; I262-C265 VanDerWaalsContact O-N 3.16Å; V263-C265 VanDerWaalsContact C-N 3.29Å; V263-C265 PolarHBondContact O-N 3.14Å; C265-S383 PolarHBondContact O-OG 3.42Å; C265-V385 HydrophobicContact CB-CG2 3.7Å
266K90.3Very high91.6Very high98 Ų9833.2 Ų33.243%0.42617%0.17SC..Hα-helixtrans-70.5-42.8178.4-78.5-176.2164.3-175.30112.5I262 V263 G268 V385 D388 E391I262-K266 HydrophobicContact CG2-CD 4.3Å; I262-K266 HydrophobicContact CG2-CG 4.5Å; I262-K266 PolarHBondContact O-N 3.42Å; V263-K266 PolarHBondContact O-N 3.36Å; K266-G268 PolarHBondContact O-N 3.12Å; K266-V385 HydrophobicContact CG-CB 4.36Å; K266-V385 HydrophobicContact CG-CG2 3.9Å; K266-D388 WeakPolarHBondContact CE-OD2 3.45Å; K266-D388 IonicContact NZ-OD2 3.34Å; K266-D388 PolarHBondContact NZ-OD2 3.23Å; K266-E391 IonicContact NZ-OE2 2.71Å; K266-E391 PolarHBondContact NZ-OE2 3.07Å
267T89.8Confident91.7Very high99 Ų9933.5 Ų33.561%0.60717%0.171SC*.Hα-helixtrans-71.7-12178.252.90000112.8V263 H264 Y269V263-T267 HydrophobicContact CG1-CG2 4.26Å; V263-T267 WeakPolarHBondContact O-CB 3.04Å; V263-T267 WeakPolarHBondContact O-CG2 3.47Å; V263-T267 PolarHBondContact O-N 2.85Å; V263-T267 PolarHBondContact O-OG1 3.39Å; H264-T267 WeakPolarHBondContact CA-OG1 3.42Å; H264-T267 PolarHBondContact O-OG1 3.1Å; T267-Y269 VanDerWaalsContact C-N 3.29Å
268G89.2Confident91.7Very high19 Ų1933.5 Ų33.520%0.19617%0.171CC..THydrogen-bonded Turntrans75.917.5-176.300000113.4H264 K266 Y270 I271H264-G268 PolarHBondContact O-N 3.36Å; K266-G268 PolarHBondContact O-N 3.12Å; G268-Y270 PolarHBondContact O-N 3.44Å; G268-I271 VanDerWaalsContact O-CB 3.26Å; G268-I271 WeakPolarHBondContact O-CB 3.4Å; G268-I271 WeakPolarHBondContact O-CG1 3.31Å; G268-I271 PolarHBondContact O-N 3.45Å
269Y90.8Very high91.6Very high62 Ų6235.2 Ų35.224%0.24318%0.18CC..THydrogen-bonded Turntrans-59.3-32.2-179.9-173.8-93.5000112.9H264 T267 I271 T273 P289 E297H264-Y269 HydrophobicContact CB-CD1 4.3Å; H264-Y269 HydrophobicContact CB-CG 4.43Å; H264-Y269 AromaticContact CE1-CD1 3.9Å; H264-Y269 AromaticContact CE1-CG 3.95Å; H264-Y269 AromaticContact CG-CD1 3.91Å; H264-Y269 WeakPolarHBondContact ND1-CB 3.43Å; H264-Y269 AromaticContact ND1-CD1 3.43Å; H264-Y269 WeakPolarHBondContact ND1-CD1 3.41Å; H264-Y269 AromaticContact ND1-CD2 3.83Å; H264-Y269 AromaticContact ND1-CG 3.29Å; H264-Y269 VanDerWaalsContact ND1-CG 3.29Å; H264-Y269 WeakPolarHBondContact O-CB 3.42Å; H264-Y269 PolarHBondContact O-N 2.83Å; T267-Y269 VanDerWaalsContact C-N 3.29Å; Y269-I271 VanDerWaalsContact C-N 3.34Å; Y269-T273 WeakPolarHBondContact O-CG2 3.35Å; Y269-P289 HydrophobicContact CE1-CG 4.03Å; Y269-P289 HydrophobicContact CE2-CG 4.44Å; Y269-P289 WeakPolarHBondContact OH-CG 3.42Å; Y269-E297 PolarHBondContact OH-N 3.46Å
270Y92.1Very high91.4Very high0 Ų041.1 Ų41.10%020%0.201CC..THydrogen-bonded Turntrans-82.9-6.2176.7-65-52.3000114.3F261 H264 G268 N272 T273 S332 F334 I380F261-Y270 AromaticContact CD2-CE2 3.69Å; F261-Y270 HydrophobicContact CD2-CE2 3.69Å; F261-Y270 AromaticContact CD2-CZ 4Å; F261-Y270 AromaticContact CE2-CE2 3.85Å; F261-Y270 HydrophobicContact CE2-CE2 3.85Å; F261-Y270 HydrophobicContact CG-CE2 4.37Å; H264-Y270 HydrophobicContact CB-CD2 3.84Å; H264-Y270 HydrophobicContact CB-CE1 4.45Å; H264-Y270 HydrophobicContact CB-CE2 3.34Å; G268-Y270 PolarHBondContact O-N 3.44Å; Y270-N272 PolarHBondContact O-N 3.46Å; Y270-T273 WeakPolarHBondContact O-CB 3.46Å; Y270-T273 WeakPolarHBondContact O-CG2 3.38Å; Y270-T273 PolarHBondContact O-N 3.13Å; Y270-T273 PolarHBondContact O-OG1 3.4Å; Y270-S332 PolarHBondContact OH-O 2.99Å; Y270-F334 HydrophobicContact CD1-CE1 4.16Å; Y270-F334 HydrophobicContact CE1-CD1 4.16Å; Y270-F334 AromaticContact CE1-CE1 3.84Å; Y270-F334 HydrophobicContact CE1-CE1 3.84Å; Y270-F334 HydrophobicContact CE2-CE1 4.46Å; Y270-I380 WeakPolarHBondContact O-CB 3.38Å
271I90.6Very high91.2Very high73 Ų7345.3 Ų45.337%0.37422%0.224SC..THydrogen-bonded Turntrans-66.9133.7179.3-61.1173.4000109.3G268 Y269 T273G268-I271 VanDerWaalsContact O-CB 3.26Å; G268-I271 WeakPolarHBondContact O-CB 3.4Å; G268-I271 WeakPolarHBondContact O-CG1 3.31Å; G268-I271 PolarHBondContact O-N 3.45Å; Y269-I271 VanDerWaalsContact C-N 3.34Å; I271-T273 PolarHBondContact O-N 3.03Å
272N88.8Confident91Very high121 Ų12148.6 Ų48.665%0.64724%0.238SC*.THydrogen-bonded Turntrans62.413.8-174.2-59-38.4000115.3Y270 I380Y270-N272 PolarHBondContact O-N 3.46Å; N272-I380 WeakPolarHBondContact CA-O 3.42Å; N272-I380 PolarHBondContact N-O 3.23Å
273T91.5Very high91Very high3 Ų348.8 Ų48.82%0.01824%0.24CC..  trans-80.1146174.466.20000111.3Y269 Y270 I271 P289 V379 I380Y269-T273 WeakPolarHBondContact O-CG2 3.35Å; Y270-T273 WeakPolarHBondContact O-CB 3.46Å; Y270-T273 WeakPolarHBondContact O-CG2 3.38Å; Y270-T273 PolarHBondContact O-N 3.13Å; Y270-T273 PolarHBondContact O-OG1 3.4Å; I271-T273 PolarHBondContact O-N 3.03Å; T273-P289 HydrophobicContact CG2-CB 4.21Å; T273-V379 WeakPolarHBondContact O-CA 3.39Å; T273-I380 PolarHBondContact O-N 3.02Å
274L91.9Very high91Very high40 Ų4046.8 Ų46.821%0.20923%0.227CC..BIsolated β-bridgetrans-96.9143-174.6-68152.4000111.2H276 N377 I378 V379L274-H276 VanDerWaalsContact C-N 3.29Å; L274-H276 PolarHBondContact O-N 3.28Å; L274-H276 VanDerWaalsContact O-N 3.08Å; L274-N377 HydrophobicContact CD2-CB 3.68Å; L274-I378 WeakPolarHBondContact CA-O 3.29Å; L274-V379 HydrophobicContact CD2-CG1 3.43Å; L274-V379 VanDerWaalsContact CD2-CG1 3.43Å; L274-V379 HydrophobicContact CG-CG1 4.11Å
275F92.7Very high91.1Very high1 Ų147.5 Ų47.50%0.00423%0.231CC..  trans-77.185.3157.7-67.6-78.3000108.8T240 R277 V278 V284 Q285 F334 I336 P374 I378 I380T240-F275 HydrophobicContact CG2-CE2 3.87Å; F275-R277 PolarHBondContact O-N 2.94Å; F275-V278 HydrophobicContact CB-CG2 4.35Å; F275-V284 HydrophobicContact CB-CG1 4.23Å; F275-V284 HydrophobicContact CD1-CG1 3.44Å; F275-V284 VanDerWaalsContact CD1-CG1 3.44Å; F275-V284 HydrophobicContact CE1-CG1 3.95Å; F275-V284 HydrophobicContact CG-CG1 3.94Å; F275-Q285 CarbonylContact C-O 3.58Å; F275-Q285 WeakPolarHBondContact CA-O 3.15Å; F275-F334 HydrophobicContact CE1-CE2 4.06Å; F275-F334 HydrophobicContact CE1-CZ 4.28Å; F275-I336 HydrophobicContact CE1-CD1 4.47Å; F275-P374 WeakPolarHBondContact O-CD 3.21Å; F275-P374 VanDerWaalsContact O-CG 3.28Å; F275-P374 WeakPolarHBondContact O-CG 3.38Å; F275-I378 HydrophobicContact CB-CB 4.34Å; F275-I378 HydrophobicContact CD2-CB 4.14Å; F275-I378 HydrophobicContact CD2-CG2 3.64Å; F275-I378 HydrophobicContact CE2-CG2 4.3Å; F275-I378 PolarHBondContact N-O 3.45Å; F275-I380 HydrophobicContact CE2-CD1 4.23Å; F275-I380 HydrophobicContact CE2-CG1 3.81Å; F275-I380 HydrophobicContact CZ-CD1 4.07Å; F275-I380 HydrophobicContact CZ-CG1 4.12Å
276H89.6Confident91.1Very high24 Ų2447.3 Ų47.311%0.11123%0.229CC..  trans-72.1-15.8-173.861.3-89.6000113.3L274 Q285 G291 G293L274-H276 VanDerWaalsContact C-N 3.29Å; L274-H276 PolarHBondContact O-N 3.28Å; L274-H276 VanDerWaalsContact O-N 3.08Å; H276-Q285 PolarHBondContact N-O 2.93Å; H276-G291 WeakPolarHBondContact CB-O 3.46Å; H276-G293 VanDerWaalsContact CD2-CA 3.45Å; H276-G293 WeakPolarHBondContact CD2-CA 3.48Å; H276-G293 VanDerWaalsContact NE2-CA 3.27Å; H276-G293 WeakPolarHBondContact NE2-CA 3.47Å
277R92.9Very high91.1Very high84 Ų8442.7 Ų42.732%0.31721%0.209SC..EExtended strand (participates in β ladder)trans-137.5118.8-179.7-174.7179.1-178.8-135.33.9111.5F275 I279 Q285 D372F275-R277 PolarHBondContact O-N 2.94Å; R277-I279 HydrophobicContact CG-CG1 4.44Å; R277-Q285 HydrophobicContact CB-CB 4.2Å; R277-Q285 PolarHBondContact O-N 3.03Å; R277-D372 CarbonylContact C-O 3.48Å; R277-D372 WeakPolarHBondContact CA-O 3.37Å; R277-D372 HydrophobicContact CG-CB 3.89Å; R277-D372 IonicContact NE-OD2 2.82Å
278V92.2Very high91.2Very high1 Ų138 Ų381%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-130.3112.7-179.7175.40000108.2F275 V284 I364 T369 D372 P374F275-V278 HydrophobicContact CB-CG2 4.35Å; V278-V284 HydrophobicContact CG1-CG2 4.21Å; V278-V284 HydrophobicContact CG2-CG1 4.22Å; V278-I364 HydrophobicContact CG2-CG2 4.44Å; V278-T369 HydrophobicContact CB-CG2 3.92Å; V278-T369 HydrophobicContact CG1-CG2 4.19Å; V278-T369 WeakPolarHBondContact O-CG2 3.4Å; V278-D372 PolarHBondContact N-O 3.09Å; V278-P374 HydrophobicContact CG2-CB 4.41Å; V278-P374 HydrophobicContact CG2-CG 4.08Å
279I91.4Very high91.1Very high36 Ų3640 Ų4019%0.18519%0.19CC..  trans-115.1116.2176.2-58.3173.7000108.7R277 N281 F282 V283 D372R277-I279 HydrophobicContact CG-CG1 4.44Å; I279-N281 PolarHBondContact O-N 2.98Å; I279-F282 HydrophobicContact CB-CB 3.98Å; I279-F282 HydrophobicContact CB-CD1 4.21Å; I279-F282 HydrophobicContact CD1-CD1 3.91Å; I279-F282 HydrophobicContact CG2-CB 3.63Å; I279-F282 HydrophobicContact CG2-CD1 4.21Å; I279-F282 HydrophobicContact CG2-CG 4.39Å; I279-F282 PolarHBondContact O-N 2.82Å; I279-V283 PolarHBondContact N-O 3.39Å; I279-V283 PolarHBondContact O-N 3.04Å; I279-D372 HydrophobicContact CD1-CB 4.47Å; I279-D372 WeakPolarHBondContact CD1-OD2 3.48Å; I279-D372 HydrophobicContact CG1-CB 4.02Å
280R88.3Confident90.8Very high145 Ų14541 Ų4155%0.54720%0.203SC..THydrogen-bonded Turntrans-57.1134.4178.9-172.1177.3-177.6148.710.8111.1F282 E365 Q366R280-F282 PolarHBondContact O-N 2.86Å; R280-E365 HydrophobicContact CB-CG 4.42Å; R280-E365 HydrophobicContact CG-CG 3.94Å; R280-Q366 VanDerWaalsContact CZ-OE1 3.25Å
281N87.4Confident90.4Very high89 Ų8941.4 Ų41.448%0.47621%0.207SC..THydrogen-bonded Turntrans59.415.5-175.6-57.3-59.3000115.4I279 R339 E365I279-N281 PolarHBondContact O-N 2.98Å; N281-R339 WeakPolarHBondContact O-CB 3.4Å; N281-E365 WeakPolarHBondContact CA-OE1 3.13Å; N281-E365 PolarHBondContact N-OE1 2.72Å
282F91.1Very high90Very high69 Ų6942.5 Ų42.530%0.30322%0.217SC..SBendtrans-126.6-87.8177.3-174.3-127.8000110.9I279 R280 C338 C341 L344I279-F282 HydrophobicContact CB-CB 3.98Å; I279-F282 HydrophobicContact CB-CD1 4.21Å; I279-F282 HydrophobicContact CD1-CD1 3.91Å; I279-F282 HydrophobicContact CG2-CB 3.63Å; I279-F282 HydrophobicContact CG2-CD1 4.21Å; I279-F282 HydrophobicContact CG2-CG 4.39Å; I279-F282 PolarHBondContact O-N 2.82Å; R280-F282 PolarHBondContact O-N 2.86Å; F282-C338 PolarHBondContact O-N 3.49Å; F282-C341 WeakPolarHBondContact CD2-SG 3.5Å; F282-C341 HydrophobicContact CE2-CB 4.27Å; F282-L344 HydrophobicContact CE2-CD1 4.29Å; F282-L344 HydrophobicContact CZ-CD1 4.18Å
283V93.1Very high89.7Confident4 Ų437.8 Ų37.82%0.02420%0.197CC..EExtended strand (participates in β ladder)trans-146.5152.5-176.6-56.50000112.4I279 F335 I336 T337 L344I279-V283 PolarHBondContact N-O 3.39Å; I279-V283 PolarHBondContact O-N 3.04Å; V283-F335 HydrophobicContact CB-CB 4.26Å; V283-F335 HydrophobicContact CB-CD2 4.01Å; V283-F335 HydrophobicContact CB-CG 4.44Å; V283-F335 HydrophobicContact CG1-CD2 3.69Å; V283-F335 HydrophobicContact CG1-CE2 4.11Å; V283-I336 CarbonylContact C-O 3.53Å; V283-I336 VanDerWaalsContact CA-O 3.3Å; V283-I336 WeakPolarHBondContact CA-O 3.32Å; V283-T337 HydrophobicContact CG1-CG2 4.24Å; V283-L344 HydrophobicContact CG1-CD1 4.38Å
284V93.7Very high89.4Confident1 Ų147.1 Ų47.11%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-111.9112.7169.2172.80000107.4F275 V278 F335 I336 L361 I364F275-V284 HydrophobicContact CB-CG1 4.23Å; F275-V284 HydrophobicContact CD1-CG1 3.44Å; F275-V284 VanDerWaalsContact CD1-CG1 3.44Å; F275-V284 HydrophobicContact CE1-CG1 3.95Å; F275-V284 HydrophobicContact CG-CG1 3.94Å; V278-V284 HydrophobicContact CG1-CG2 4.21Å; V278-V284 HydrophobicContact CG2-CG1 4.22Å; V284-F335 CarbonylContact O-C 3.59Å; V284-F335 WeakPolarHBondContact O-CA 3.46Å; V284-F335 WeakPolarHBondContact O-CB 3.29Å; V284-I336 PolarHBondContact N-O 3.42Å; V284-I336 PolarHBondContact O-N 3.29Å; V284-L361 HydrophobicContact CG2-CD1 4.14Å; V284-I364 HydrophobicContact CG1-CG2 3.93Å; V284-I364 HydrophobicContact CG2-CG2 3.97Å
285Q93.7Very high89.1Confident25 Ų2546 Ų4612%0.11724%0.235CC..EExtended strand (participates in β ladder)trans-107.8137-176.3179.4178.8-3.800110.9F275 H276 R277 F334 F335F275-Q285 CarbonylContact C-O 3.58Å; F275-Q285 WeakPolarHBondContact CA-O 3.15Å; H276-Q285 PolarHBondContact N-O 2.93Å; R277-Q285 HydrophobicContact CB-CB 4.2Å; R277-Q285 PolarHBondContact O-N 3.03Å; Q285-F334 WeakPolarHBondContact CA-O 3.23Å; Q285-F335 HydrophobicContact CB-CB 3.95Å; Q285-F335 HydrophobicContact CG-CB 4.36Å
286G92.3Very high88.9Confident0 Ų046.8 Ų46.80%024%0.244CC..EExtended strand (participates in β ladder)trans-153.4-164.2-178.700000111.6Q333 F334G286-Q333 WeakPolarHBondContact O-CA 3.41Å; G286-F334 PolarHBondContact N-O 2.79Å; G286-F334 PolarHBondContact O-N 3.14Å
287G90.2Very high88.9Confident0 Ų051.2 Ų51.20%027%0.265CS..  trans8513178.400000115.3S332G287-S332 PolarHBondContact O-OG 3.15Å
288D91.4Very high88.8Confident0 Ų047.5 Ų47.50%025%0.251CS..BIsolated β-bridgetrans-98.8114.3169-179.4-1.5000109.7T290 G291 T292 G293 K294 G295 Q333D288-T290 PolarHBondContact O-N 3.17Å; D288-T290 WeakPolarHBondContact OD1-CB 3.37Å; D288-T290 PolarHBondContact OD1-N 3.2Å; D288-T290 PolarHBondContact OD1-OG1 3.05Å; D288-T290 PolarHBondContact OD2-OG1 2.94Å; D288-G291 PolarHBondContact O-N 3.03Å; D288-G291 VanDerWaalsContact O-N 3.13Å; D288-T292 PolarHBondContact OD2-N 3.26Å; D288-T292 PolarHBondContact OD2-OG1 2.85Å; D288-G293 VanDerWaalsContact OD2-CA 3.27Å; D288-G293 WeakPolarHBondContact OD2-CA 3.4Å; D288-G293 PolarHBondContact OD2-N 3.07Å; D288-K294 PolarHBondContact OD2-N 3.44Å; D288-G295 VanDerWaalsContact CG-C 3.48Å; D288-G295 WeakPolarHBondContact OD1-CA 3.36Å; D288-G295 PolarHBondContact OD2-N 2.98Å; D288-Q333 HydrophobicContact CB-CG 4.13Å
289P86.7Confident88.7Confident61 Ų6149.7 Ų49.740%0.39626%0.263SS..THydrogen-bonded Turntrans-66.9-22178.131.5-39000113.7Y269 T273 G291Y269-P289 HydrophobicContact CE1-CG 4.03Å; Y269-P289 HydrophobicContact CE2-CG 4.44Å; Y269-P289 WeakPolarHBondContact OH-CG 3.42Å; T273-P289 HydrophobicContact CG2-CB 4.21Å; P289-G291 VanDerWaalsContact C-N 3.31Å
290T86.2Confident88.6Confident84 Ų8451.8 Ų51.852%0.51527%0.268SS..THydrogen-bonded Turntrans-79.4-18.1175.471.80000112.3D288 T292D288-T290 PolarHBondContact O-N 3.17Å; D288-T290 WeakPolarHBondContact OD1-CB 3.37Å; D288-T290 PolarHBondContact OD1-N 3.2Å; D288-T290 PolarHBondContact OD1-OG1 3.05Å; D288-T290 PolarHBondContact OD2-OG1 2.94Å; T290-T292 PolarHBondContact O-N 2.95Å; T290-T292 PolarHBondContact OG1-N 2.9Å; T290-T292 PolarHBondContact OG1-OG1 2.84Å
291G82.1Confident88.6Confident8 Ų853 Ų538%0.08228%0.277CS..SBendtrans66.39.2-175.700000114.7H276 D288 P289H276-G291 WeakPolarHBondContact CB-O 3.46Å; D288-G291 PolarHBondContact O-N 3.03Å; D288-G291 VanDerWaalsContact O-N 3.13Å; P289-G291 VanDerWaalsContact C-N 3.31Å
292T82.8Confident88.7Confident97 Ų9756 Ų5660%0.59529%0.286SS*.SBendtrans-89.2-18.4-177.963.90000113.3D288 T290 K294D288-T292 PolarHBondContact OD2-N 3.26Å; D288-T292 PolarHBondContact OD2-OG1 2.85Å; T290-T292 PolarHBondContact O-N 2.95Å; T290-T292 PolarHBondContact OG1-N 2.9Å; T290-T292 PolarHBondContact OG1-OG1 2.84Å; T292-K294 VanDerWaalsContact C-N 3.3Å; T292-K294 PolarHBondContact OG1-N 3.07Å
293G82.4Confident88.6Confident22 Ų2256.8 Ų56.823%0.22730%0.299CS..SBendtrans84.4-4-172.300000114.4H276 D288 Q333H276-G293 VanDerWaalsContact CD2-CA 3.45Å; H276-G293 WeakPolarHBondContact CD2-CA 3.48Å; H276-G293 VanDerWaalsContact NE2-CA 3.27Å; H276-G293 WeakPolarHBondContact NE2-CA 3.47Å; D288-G293 VanDerWaalsContact OD2-CA 3.27Å; D288-G293 WeakPolarHBondContact OD2-CA 3.4Å; D288-G293 PolarHBondContact OD2-N 3.07Å; G293-Q333 VanDerWaalsContact C-NE2 3.33Å; G293-Q333 PolarHBondContact O-NE2 2.9Å
294K84.7Confident88.5Confident199 Ų19957.2 Ų57.287%0.86530%0.3SS*.SBendtrans-107.4-10178.1-63.7-175.1-179-179.20113.3D288 T292D288-K294 PolarHBondContact OD2-N 3.44Å; T292-K294 VanDerWaalsContact C-N 3.3Å; T292-K294 PolarHBondContact OG1-N 3.07Å
295G87Confident88.4Confident16 Ų1658.9 Ų58.917%0.16531%0.314CS..  trans-96.4-178.9-177.900000113.2D288 Q333D288-G295 VanDerWaalsContact CG-C 3.48Å; D288-G295 WeakPolarHBondContact OD1-CA 3.36Å; D288-G295 PolarHBondContact OD2-N 2.98Å; G295-Q333 PolarHBondContact O-NE2 2.59Å
296G87Confident88.2Confident18 Ų1858.9 Ų58.919%0.18632%0.315CS..  trans115.4132.6-17800000111.6S332G296-S332 WeakPolarHBondContact CA-OG 3.49Å
297E90.7Very high88.1Confident117 Ų11760.4 Ų60.455%0.54732%0.322SS..  trans-125.8138.7-179.8-65.2-174.7168.700108.4H264 Y269 S332H264-E297 PolarHBondContact CE1-O 3.48Å; H264-E297 PolarHBondContact NE2-O 2.93Å; Y269-E297 PolarHBondContact OH-N 3.46Å; E297-S332 WeakPolarHBondContact O-CB 3.41Å
298S90.4Very high87.8Confident5 Ų564.1 Ų64.14%0.03534%0.34CS..  trans-71.4166.817170.50000111N260 W300 K301 K302N260-S298 WeakPolarHBondContact OD1-CA 3.48Å; N260-S298 WeakPolarHBondContact OD1-CB 3.37Å; S298-W300 PolarHBondContact O-N 3.14Å; S298-W300 VanDerWaalsContact O-N 3.16Å; S298-W300 PolarHBondContact OG-N 3.36Å; S298-K301 PolarHBondContact O-N 2.94Å; S298-K301 PolarHBondContact OG-N 3.4Å; S298-K302 PolarHBondContact OG-N 3.28Å; S298-K302 PolarHBondContact OG-O 3.35Å
299I90.5Very high87.2Confident48 Ų4866 Ų6625%0.24635%0.352CS..THydrogen-bonded Turntrans-59.2-27.2174.164.6169.8000113.2E259 N260 V263 K301E259-I299 HydrophobicContact CG-CD1 3.97Å; N260-I299 HydrophobicContact CB-CG1 4.49Å; N260-I299 PolarHBondContact OD1-N 3.03Å; V263-I299 HydrophobicContact CB-CD1 4.45Å; V263-I299 HydrophobicContact CB-CG2 3.84Å; V263-I299 HydrophobicContact CG1-CB 4.36Å; V263-I299 HydrophobicContact CG1-CG2 3.61Å; V263-I299 HydrophobicContact CG2-CD1 4.39Å; I299-K301 VanDerWaalsContact C-N 3.32Å
300W89.7Confident87Confident79 Ų7973.1 Ų73.130%0.29938%0.376SS..THydrogen-bonded Turntrans-88.42.3178-54.9-83000113D223 Y227 R256 N260 S298 K302 F304D223-W300 PolarHBondContact OD2-NE1 2.67Å; D223-W300 VanDerWaalsContact OD2-NE1 3.1Å; Y227-W300 WeakPolarHBondContact OH-CZ2 3.35Å; R256-W300 HydrophobicContact CB-CH2 3.87Å; R256-W300 HydrophobicContact CB-CZ3 4.48Å; R256-W300 HydrophobicContact CG-CH2 4.3Å; R256-W300 WeakPolarHBondContact O-CH2 3.47Å; N260-W300 HydrophobicContact CB-CH2 4.26Å; N260-W300 HydrophobicContact CB-CZ3 3.97Å; S298-W300 PolarHBondContact O-N 3.14Å; S298-W300 VanDerWaalsContact O-N 3.16Å; S298-W300 PolarHBondContact OG-N 3.36Å; W300-K302 PolarHBondContact O-N 3.43Å; W300-F304 HydrophobicContact CE3-CB 4.2Å; W300-F304 HydrophobicContact CE3-CD1 4.08Å; W300-F304 HydrophobicContact CE3-CG 4.32Å; W300-F304 HydrophobicContact CZ3-CB 4.12Å; W300-F304 AromaticContact CZ3-CD1 3.74Å; W300-F304 HydrophobicContact CZ3-CD1 3.74Å; W300-F304 HydrophobicContact CZ3-CD2 4.48Å; W300-F304 HydrophobicContact CZ3-CE1 4.23Å; W300-F304 AromaticContact CZ3-CG 3.87Å; W300-F304 HydrophobicContact CZ3-CG 3.87Å
301K87.1Confident86.9Confident170 Ų17075.9 Ų75.974%0.73938%0.384SS*.SBendtrans55.119.4-174.6-56.6-178.2176.1-176.80114.1S298 I299S298-K301 PolarHBondContact O-N 2.94Å; S298-K301 PolarHBondContact OG-N 3.4Å; I299-K301 VanDerWaalsContact C-N 3.32Å
302K90.1Very high87.1Confident153 Ų15377.1 Ų77.167%0.66539%0.388SS*.SBendtrans-140.5145.1-178.6-68.7-178.3-178178.10109.2S298 W300 F304S298-K302 PolarHBondContact OG-N 3.28Å; S298-K302 PolarHBondContact OG-O 3.35Å; W300-K302 PolarHBondContact O-N 3.43Å; K302-F304 PolarHBondContact O-N 3.07Å
303P89.8Confident87.4Confident86 Ų8674.4 Ų74.456%0.55837%0.373SS*.  trans-57.5139.9173.123.7-31.7000110.3N330P303-N330 WeakPolarHBondContact CA-O 3.07Å
304F90.9Very high87.7Confident12 Ų1273.4 Ų73.45%0.05336%0.362CS..BIsolated β-bridgetrans-112.7155177.469.6-90.3000112R256 A257 N260 W300 K302 M322 N328 N330 T331R256-F304 HydrophobicContact CB-CD2 4.07Å; R256-F304 HydrophobicContact CB-CE2 4.31Å; A257-F304 HydrophobicContact CB-CE2 4.09Å; A257-F304 HydrophobicContact CB-CZ 4.25Å; N260-F304 HydrophobicContact CB-CE1 4.21Å; N260-F304 HydrophobicContact CB-CZ 4.37Å; W300-F304 HydrophobicContact CE3-CB 4.2Å; W300-F304 HydrophobicContact CE3-CD1 4.08Å; W300-F304 HydrophobicContact CE3-CG 4.32Å; W300-F304 HydrophobicContact CZ3-CB 4.12Å; W300-F304 AromaticContact CZ3-CD1 3.74Å; W300-F304 HydrophobicContact CZ3-CD1 3.74Å; W300-F304 HydrophobicContact CZ3-CD2 4.48Å; W300-F304 HydrophobicContact CZ3-CE1 4.23Å; W300-F304 AromaticContact CZ3-CG 3.87Å; W300-F304 HydrophobicContact CZ3-CG 3.87Å; K302-F304 PolarHBondContact O-N 3.07Å; F304-M322 HydrophobicContact CE1-CE 4.26Å; F304-M322 HydrophobicContact CZ-CE 3.94Å; F304-M322 HydrophobicContact CZ-CG 4.36Å; F304-N328 CarbonylContact O-C 3.54Å; F304-N330 HydrophobicContact CD1-CB 3.8Å; F304-N330 VanDerWaalsContact CD1-O 3.3Å; F304-N330 WeakPolarHBondContact CD1-O 3.31Å; F304-N330 HydrophobicContact CD2-CB 3.9Å; F304-N330 HydrophobicContact CE1-CB 3.47Å; F304-N330 VanDerWaalsContact CE1-CB 3.47Å; F304-N330 HydrophobicContact CE2-CB 3.55Å; F304-N330 HydrophobicContact CG-CB 4.02Å; F304-N330 HydrophobicContact CZ-CB 3.34Å; F304-N330 PolarHBondContact N-O 3.4Å; F304-N330 VanDerWaalsContact N-O 3.13Å; F304-N330 PolarHBondContact O-N 3.4Å; F304-N330 PolarHBondContact O-ND2 2.86Å; F304-N330 VanDerWaalsContact O-ND2 3.15Å; F304-T331 WeakPolarHBondContact CE1-O 3.49Å
305A90.2Very high87.7Confident36 Ų3666.7 Ų66.730%0.29834%0.34SS..  trans-63.5151.1-174.700000113.2N328 N330A305-N328 VanDerWaalsContact CA-OD1 3.3Å; A305-N328 WeakPolarHBondContact CA-OD1 3.37Å; A305-N328 HydrophobicContact CB-CB 4.38Å; A305-N328 WeakPolarHBondContact CB-OD1 3.12Å; A305-N330 PolarHBondContact O-ND2 2.79Å
306D90.6Very high87.7Confident25 Ų2567.2 Ų67.213%0.13435%0.346CS..  trans-74.7125.4176-59.8-45.3000110.5M308 N324 S327 N328 N330 T349D306-M308 HydrophobicContact CB-CE 3.39Å; D306-M308 HydrophobicContact CB-CG 4Å; D306-M308 HydrophobicContact CB-SD 4.33Å; D306-M308 PolarHBondContact O-N 3.24Å; D306-M308 WeakPolarHBondContact OD2-CE 3.28Å; D306-N324 PolarHBondContact OD1-ND2 3Å; D306-S327 WeakPolarHBondContact OD2-CA 3.42Å; D306-N328 PolarHBondContact N-OD1 3.27Å; D306-N328 PolarHBondContact OD2-N 3.07Å; D306-N330 PolarHBondContact OD1-ND2 3.32Å; D306-N330 PolarHBondContact OD1-OD1 3.19Å; D306-T349 WeakPolarHBondContact CA-OG1 3.44Å
307E89.2Confident88Confident33 Ų3370.5 Ų70.515%0.15435%0.353CS..  trans-97.783.1174.5-61.7174.9131.100109.6A254 P255 R256 A257 T349A254-E307 VanDerWaalsContact CA-OE2 3.27Å; A254-E307 WeakPolarHBondContact CA-OE2 3.37Å; A254-E307 HydrophobicContact CB-CB 4.17Å; P255-E307 VanDerWaalsContact CD-OE1 3.27Å; P255-E307 WeakPolarHBondContact CD-OE1 3.37Å; P255-E307 WeakPolarHBondContact CG-OE1 3.44Å; R256-E307 WeakPolarHBondContact CB-OE1 3.39Å; R256-E307 WeakPolarHBondContact CB-OE2 3.42Å; R256-E307 VanDerWaalsContact CG-OE1 3.3Å; R256-E307 WeakPolarHBondContact CG-OE1 3.29Å; R256-E307 PolarHBondContact N-OE1 2.89Å; R256-E307 PolarHBondContact N-OE2 2.96Å; A257-E307 PolarHBondContact N-OE2 3.44Å; E307-T349 HydrophobicContact CB-CG2 3.9Å; E307-T349 PolarHBondContact N-OG1 3Å; E307-T349 WeakPolarHBondContact O-CG2 3.07Å
308M83.3Confident88Confident78 Ų7865 Ų6538%0.38433%0.327SS..  trans-101.4114.2-175.8-58.6178.8-172.500111.1D306 G346 K347D306-M308 HydrophobicContact CB-CE 3.39Å; D306-M308 HydrophobicContact CB-CG 4Å; D306-M308 HydrophobicContact CB-SD 4.33Å; D306-M308 PolarHBondContact O-N 3.24Å; D306-M308 WeakPolarHBondContact OD2-CE 3.28Å; M308-G346 WeakPolarHBondContact CE-O 3.34Å; M308-G346 WeakPolarHBondContact SD-CA 3.47Å; M308-K347 VanDerWaalsContact CE-CA 3.47Å; M308-K347 WeakPolarHBondContact CE-O 3.42Å
309T80.8Confident88.2Confident40 Ų4065.4 Ų65.425%0.24533%0.329CS..  trans-115.3131-175.8-59.80000109.7L253 Q311 L312L253-T309 HydrophobicContact CD2-CG2 4.1Å; L253-T309 PolarHBondContact O-OG1 2.86Å; T309-Q311 HydrophobicContact CG2-CB 4.1Å; T309-Q311 VanDerWaalsContact CG2-CD 3.4Å; T309-Q311 HydrophobicContact CG2-CG 4.27Å; T309-Q311 PolarHBondContact O-N 3.36Å; T309-L312 PolarHBondContact O-N 2.98Å; T309-L312 VanDerWaalsContact O-N 3.09Å
310K80.8Confident88.4Confident209 Ų20963.1 Ų63.191%0.90932%0.318SS*.THydrogen-bonded Turntrans-61-18.9-175.7-67.6-177.5179.9178.30113.9L312K310-L312 VanDerWaalsContact C-N 3.32Å
311Q84.3Confident88.7Confident143 Ų14359.3 Ų59.367%0.66830%0.303SS*.THydrogen-bonded Turntrans-74.7-23.2-179.5-65.383-42.700112.3T309T309-Q311 HydrophobicContact CG2-CB 4.1Å; T309-Q311 VanDerWaalsContact CG2-CD 3.4Å; T309-Q311 HydrophobicContact CG2-CG 4.27Å; T309-Q311 PolarHBondContact O-N 3.36Å
312L87.1Confident89Confident34 Ų3451.2 Ų51.218%0.17827%0.268CS..  trans-105.4134.3179.1-62175.6000109.5H250 L253 T309 K310 I350H250-L312 HydrophobicContact CB-CD1 4.41Å; L253-L312 HydrophobicContact CB-CD1 3.94Å; L253-L312 HydrophobicContact CD1-CD1 3.72Å; L253-L312 HydrophobicContact CD1-CD2 3.81Å; L253-L312 HydrophobicContact CD1-CG 3.67Å; L253-L312 HydrophobicContact CG-CD1 4.5Å; T309-L312 PolarHBondContact O-N 2.98Å; T309-L312 VanDerWaalsContact O-N 3.09Å; K310-L312 VanDerWaalsContact C-N 3.32Å; L312-I350 HydrophobicContact CB-CB 4Å; L312-I350 HydrophobicContact CB-CD1 3.85Å; L312-I350 HydrophobicContact CB-CG2 4.12Å; L312-I350 HydrophobicContact CD1-CB 4.13Å; L312-I350 HydrophobicContact CD1-CG2 4.09Å; L312-I350 VanDerWaalsContact CD1-O 3.28Å; L312-I350 WeakPolarHBondContact CD1-O 3.33Å
313S89.2Confident89.2Confident40 Ų4044.3 Ų44.328%0.2824%0.24SC..  trans-137.7149.5175.6167.90000108.2S315 D345S313-S315 PolarHBondContact O-N 3.35Å; S313-S315 PolarHBondContact OG-OG 2.98Å; S313-D345 WeakPolarHBondContact CA-OD1 3.09Å; S313-D345 WeakPolarHBondContact CB-OD2 3.48Å; S313-D345 PolarHBondContact OG-OD2 3.12Å
314H87.7Confident89.2Confident0 Ų041.6 Ų41.60%022%0.221CC..  trans-72.745.1170.4-6089.6000110.4S321 F335 S340 C341 L344 D345 I350H314-S321 VanDerWaalsContact NE2-CB 3.3Å; H314-S321 WeakPolarHBondContact NE2-CB 3.39Å; H314-S321 PolarHBondContact NE2-OG 3.48Å; H314-F335 AromaticContact NE2-CE2 3.97Å; H314-F335 AromaticContact NE2-CZ 3.8Å; H314-S340 CarbonylContact O-C 3.51Å; H314-S340 VanDerWaalsContact O-CA 3.27Å; H314-S340 WeakPolarHBondContact O-CA 3.47Å; H314-C341 HydrophobicContact CB-CB 4.3Å; H314-C341 WeakPolarHBondContact CB-O 3.44Å; H314-C341 PolarHBondContact O-N 3.35Å; H314-L344 PolarHBondContact CE1-O 2.93Å; H314-D345 WeakPolarHBondContact CB-OD1 3.42Å; H314-D345 IonicContact CE1-OD1 3.62Å; H314-D345 IonicContact CG-OD1 3.6Å; H314-D345 PolarHBondContact N-OD1 3.32Å; H314-D345 IonicContact ND1-OD1 3.65Å; H314-D345 PolarHBondContact ND1-OD1 2.92Å; H314-I350 WeakPolarHBondContact CE1-CG1 3.47Å; H314-I350 WeakPolarHBondContact NE2-CG1 3.48Å
315S86.2Confident89Confident58 Ų5847.2 Ų47.241%0.40626%0.261SS..  trans-93.2115.3175.7-690000108.5S313 K342S313-S315 PolarHBondContact O-N 3.35Å; S313-S315 PolarHBondContact OG-OG 2.98Å; S315-K342 VanDerWaalsContact OG-CE 3.26Å; S315-K342 WeakPolarHBondContact OG-CE 3.41Å
316G86.8Confident88.9Confident27 Ų2747.1 Ų47.128%0.27826%0.264SS..SBendtrans105.6173.9-178.800000113.7R339 S340G316-R339 CarbonylContact O-C 3.44Å; G316-S340 PolarHBondContact N-OG 2.93Å
317R91.6Very high88.7Confident87 Ų8750.9 Ų50.933%0.32829%0.292SS..SBendtrans-92.2143.7175.3179.7172.9-173.6174.714.7109.4C338 M358 L361 S362 E365R317-C338 WeakPolarHBondContact CB-O 3.39Å; R317-C338 VanDerWaalsContact CD-O 3.28Å; R317-C338 WeakPolarHBondContact CD-O 3.28Å; R317-C338 WeakPolarHBondContact CG-O 3.5Å; R317-M358 HydrophobicContact CB-CE 4.16Å; R317-M358 HydrophobicContact CG-CE 3.65Å; R317-L361 HydrophobicContact CG-CD2 4.1Å; R317-S362 PolarHBondContact NH1-OG 3.49Å; R317-S362 VanDerWaalsContact NH1-OG 3.12Å; R317-S362 VanDerWaalsContact NH2-CA 3.32Å; R317-S362 PolarHBondContact NH2-OG 3.38Å; R317-S362 VanDerWaalsContact NH2-OG 3.09Å; R317-E365 IonicContact CZ-OE2 3.86Å; R317-E365 IonicContact NH1-OE2 2.9Å; R317-E365 IonicContact NH2-OE2 2.95Å; R317-E365 PolarHBondContact NH2-OE2 2.94Å
318G92.3Very high88.7Confident1 Ų153.4 Ų53.41%0.0131%0.306CS..SBendtrans88.211.1175.800000114.4L320 T337 R353 L354G318-L320 PolarHBondContact O-N 3.08Å; G318-T337 PolarHBondContact N-O 3.42Å; G318-R353 CarbonylContact O-C 3.45Å; G318-R353 WeakPolarHBondContact O-CA 3.3Å; G318-L354 WeakPolarHBondContact O-CB 3.45Å; G318-L354 PolarHBondContact O-N 3.46Å
319V94.9Very high89Confident14 Ų1451.9 Ų51.99%0.08530%0.302CS..EExtended strand (participates in β ladder)trans-69.6131.4172.6-174.30000109.3I336 T337 I350V319-I336 WeakPolarHBondContact O-CA 3.39Å; V319-T337 WeakPolarHBondContact CA-OG1 3.39Å; V319-T337 HydrophobicContact CB-CG2 4.31Å; V319-T337 VanDerWaalsContact CB-OG1 3.24Å; V319-T337 WeakPolarHBondContact CB-OG1 3.42Å; V319-T337 PolarHBondContact N-OG1 3.34Å; V319-T337 PolarHBondContact O-N 2.82Å; V319-T337 PolarHBondContact O-OG1 2.84Å; V319-T337 VanDerWaalsContact O-OG1 3.13Å; V319-I350 HydrophobicContact CG1-CB 4.45Å; V319-I350 HydrophobicContact CG1-CD1 4.44Å; V319-I350 HydrophobicContact CG1-CG1 4.18Å; V319-I350 HydrophobicContact CG1-CG2 3.47Å; V319-I350 VanDerWaalsContact CG1-CG2 3.47Å
320L94.9Very high89.5Confident0 Ų050 Ų500%029%0.29CS..EExtended strand (participates in β ladder)trans-102.9124.8179.718069.3000109.8F247 L249 F261 G318 F334 I336 F351 G352F247-L320 HydrophobicContact CB-CD2 4.27Å; F247-L320 HydrophobicContact CD1-CB 4.23Å; F247-L320 HydrophobicContact CD1-CD1 4.47Å; F247-L320 HydrophobicContact CD1-CD2 3.8Å; F247-L320 HydrophobicContact CD1-CG 4.4Å; F247-L320 HydrophobicContact CE1-CB 4.44Å; F247-L320 HydrophobicContact CE1-CD1 4.18Å; F247-L320 HydrophobicContact CE1-CD2 4.31Å; F247-L320 HydrophobicContact CG-CD2 4.01Å; L249-L320 HydrophobicContact CD2-CD2 3.88Å; F261-L320 HydrophobicContact CE1-CD2 4.47Å; F261-L320 HydrophobicContact CZ-CD2 4.27Å; G318-L320 PolarHBondContact O-N 3.08Å; L320-F334 HydrophobicContact CD1-CB 4.31Å; L320-F334 HydrophobicContact CD1-CD2 3.46Å; L320-F334 VanDerWaalsContact CD1-CD2 3.46Å; L320-F334 HydrophobicContact CD1-CE2 4.09Å; L320-F334 HydrophobicContact CD1-CG 4.16Å; L320-I336 HydrophobicContact CD1-CG1 3.95Å; L320-F351 HydrophobicContact CD1-CE1 4.49Å; L320-F351 HydrophobicContact CD1-CZ 4.1Å; L320-F351 HydrophobicContact CD2-CD2 4.18Å; L320-F351 HydrophobicContact CD2-CE1 4.3Å; L320-F351 HydrophobicContact CD2-CE2 3.41Å; L320-F351 VanDerWaalsContact CD2-CE2 3.41Å; L320-F351 HydrophobicContact CD2-CZ 3.49Å; L320-F351 VanDerWaalsContact CD2-CZ 3.49Å; L320-F351 HydrophobicContact CG-CE1 3.84Å; L320-F351 HydrophobicContact CG-CE2 3.9Å; L320-F351 HydrophobicContact CG-CZ 3.49Å; L320-F351 VanDerWaalsContact CG-CZ 3.49Å; L320-F351 PolarHBondContact O-N 3.44Å; L320-F351 VanDerWaalsContact O-N 3.09Å; L320-G352 WeakPolarHBondContact CB-O 3.36Å; L320-G352 PolarHBondContact N-O 3.28Å; L320-G352 PolarHBondContact O-N 3.32Å
321S94.2Very high90Very high0 Ų041.8 Ų41.80%026%0.257CS..EExtended strand (participates in β ladder)trans-143.8152.5-171.9-168.30000112H314 F334 F335 H348 T349H314-S321 VanDerWaalsContact NE2-CB 3.3Å; H314-S321 WeakPolarHBondContact NE2-CB 3.39Å; H314-S321 PolarHBondContact NE2-OG 3.48Å; S321-F334 CarbonylContact O-C 3.24Å; S321-F334 VanDerWaalsContact O-CA 3.29Å; S321-F334 WeakPolarHBondContact O-CA 3.36Å; S321-F334 WeakPolarHBondContact O-CB 3.15Å; S321-F335 VanDerWaalsContact CB-CZ 3.46Å; S321-F335 PolarHBondContact N-O 2.94Å; S321-F335 PolarHBondContact O-N 3.34Å; S321-H348 WeakPolarHBondContact OG-CB 3.45Å; S321-T349 CarbonylContact C-O 3.55Å; S321-T349 VanDerWaalsContact CA-O 3.28Å; S321-T349 WeakPolarHBondContact CA-O 3.29Å; S321-T349 PolarHBondContact OG-O 3.08Å; S321-T349 VanDerWaalsContact OG-O 3.1Å
322M94.8Very high90.4Very high0 Ų035 Ų350%023%0.226CC..EExtended strand (participates in β ladder)trans-78.3137.2179.6-68.3-57.8-61.200111.4A257 F304 N330 T331 Q333 F335 H348 T349 F351A257-M322 HydrophobicContact CB-CG 3.84Å; A257-M322 HydrophobicContact CB-SD 4.42Å; F304-M322 HydrophobicContact CE1-CE 4.26Å; F304-M322 HydrophobicContact CZ-CE 3.94Å; F304-M322 HydrophobicContact CZ-CG 4.36Å; M322-N330 WeakPolarHBondContact CB-OD1 3.32Å; M322-N330 HydrophobicContact CE-CB 4.42Å; M322-T331 WeakPolarHBondContact CE-O 3.41Å; M322-Q333 VanDerWaalsContact CE-O 3.27Å; M322-Q333 WeakPolarHBondContact CE-O 3.41Å; M322-F335 WeakPolarHBondContact O-CE1 3.3Å; M322-H348 WeakPolarHBondContact O-CB 3.32Å; M322-H348 PolarHBondContact O-ND1 3.22Å; M322-H348 VanDerWaalsContact O-ND1 3.16Å; M322-T349 PolarHBondContact N-O 2.96Å; M322-F351 HydrophobicContact CG-CD1 3.68Å; M322-F351 HydrophobicContact CG-CE1 3.74Å; M322-F351 HydrophobicContact SD-CD1 3.88Å; M322-F351 HydrophobicContact SD-CE1 3.37Å; M322-F351 WeakPolarHBondContact SD-CE1 3.32Å; M322-F351 HydrophobicContact SD-CZ 3.92Å
323A92.8Very high90.8Very high8 Ų834 Ų347%0.06622%0.221CC..  trans-86136.4168.200000109.9Q333 F335A323-Q333 HydrophobicContact CB-CB 3.78Å; A323-Q333 PolarHBondContact N-O 3.22Å; A323-F335 HydrophobicContact CB-CD1 4.17Å
324N91Very high91.1Very high29 Ų2932.1 Ų32.116%0.15521%0.207CC..  trans-134.9161.7176.36122.3000109.6D306 K347 H348D306-N324 PolarHBondContact OD1-ND2 3Å; N324-K347 PolarHBondContact ND2-O 3.04Å; N324-H348 PolarHBondContact OD1-CE1 3.25Å; N324-H348 PolarHBondContact OD1-ND1 3.44Å
325S86.7Confident91.4Very high129 Ų12932.5 Ų32.590%0.90221%0.209SC*.SBendtrans-101.411.5177-62.50000112.6T329S325-T329 PolarHBondContact N-OG1 3.15Å
326G87.6Confident91.8Very high35 Ų3529.8 Ų29.836%0.36119%0.19SC..SBendtrans152.2174.7-168.400000110.3N328 T329G326-N328 PolarHBondContact O-N 2.74Å; G326-T329 PolarHBondContact N-OG1 3.03Å; G326-T329 VanDerWaalsContact N-OG1 3.08Å; G326-T329 PolarHBondContact O-N 3.44Å; G326-T329 PolarHBondContact O-OG1 3.26Å
327S87.2Confident92.2Very high103 Ų10328.5 Ų28.572%0.7218%0.176SC*.THydrogen-bonded Turntrans-58.6131.5-178.3-55.60000111.8D306 T329D306-S327 WeakPolarHBondContact OD2-CA 3.42Å; S327-T329 VanDerWaalsContact C-N 3.3Å; S327-T329 PolarHBondContact O-N 3.31Å
328N87.6Confident92.2Very high86 Ų8624.8 Ų24.846%0.4616%0.164SC..THydrogen-bonded Turntrans6130.9177.7-56.5-49.7000114.8F304 A305 D306 G326F304-N328 CarbonylContact O-C 3.54Å; A305-N328 VanDerWaalsContact CA-OD1 3.3Å; A305-N328 WeakPolarHBondContact CA-OD1 3.37Å; A305-N328 HydrophobicContact CB-CB 4.38Å; A305-N328 WeakPolarHBondContact CB-OD1 3.12Å; D306-N328 PolarHBondContact N-OD1 3.27Å; D306-N328 PolarHBondContact OD2-N 3.07Å; G326-N328 PolarHBondContact O-N 2.74Å
329T91Very high92.2Very high47 Ų4732.4 Ų32.429%0.28819%0.192SC..  trans-114.738.8179.962.30000113.3S325 G326 S327S325-T329 PolarHBondContact N-OG1 3.15Å; G326-T329 PolarHBondContact N-OG1 3.03Å; G326-T329 VanDerWaalsContact N-OG1 3.08Å; G326-T329 PolarHBondContact O-N 3.44Å; G326-T329 PolarHBondContact O-OG1 3.26Å; S327-T329 VanDerWaalsContact C-N 3.3Å; S327-T329 PolarHBondContact O-N 3.31Å
330N91.7Very high92Very high0 Ų034.7 Ų34.70%021%0.208CC..BIsolated β-bridgetrans-72.3137.4176.9-60.4-64000111.4P303 F304 A305 D306 M322P303-N330 WeakPolarHBondContact CA-O 3.07Å; F304-N330 HydrophobicContact CD1-CB 3.8Å; F304-N330 VanDerWaalsContact CD1-O 3.3Å; F304-N330 WeakPolarHBondContact CD1-O 3.31Å; F304-N330 HydrophobicContact CD2-CB 3.9Å; F304-N330 HydrophobicContact CE1-CB 3.47Å; F304-N330 VanDerWaalsContact CE1-CB 3.47Å; F304-N330 HydrophobicContact CE2-CB 3.55Å; F304-N330 HydrophobicContact CG-CB 4.02Å; F304-N330 HydrophobicContact CZ-CB 3.34Å; F304-N330 PolarHBondContact N-O 3.4Å; F304-N330 VanDerWaalsContact N-O 3.13Å; F304-N330 PolarHBondContact O-N 3.4Å; F304-N330 PolarHBondContact O-ND2 2.86Å; F304-N330 VanDerWaalsContact O-ND2 3.15Å; A305-N330 PolarHBondContact O-ND2 2.79Å; D306-N330 PolarHBondContact OD1-ND2 3.32Å; D306-N330 PolarHBondContact OD1-OD1 3.19Å; M322-N330 WeakPolarHBondContact CB-OD1 3.32Å; M322-N330 HydrophobicContact CE-CB 4.42Å
331T91.2Very high91.7Very high36 Ų3634.9 Ų34.922%0.22121%0.21CC..  trans-122.8-126179.358.70000110.1N260 F304 M322N260-T331 PolarHBondContact ND2-O 3.2Å; F304-T331 WeakPolarHBondContact CE1-O 3.49Å; M322-T331 WeakPolarHBondContact CE-O 3.41Å
332S92.4Very high91.4Very high0 Ų041.3 Ų41.30%024%0.238CC..SBendtrans-102.9-10.4172.561.60000113Y270 G287 G296 E297Y270-S332 PolarHBondContact OH-O 2.99Å; G287-S332 PolarHBondContact O-OG 3.15Å; G296-S332 WeakPolarHBondContact CA-OG 3.49Å; E297-S332 WeakPolarHBondContact O-CB 3.41Å
333Q94.7Very high91.1Very high15 Ų1548.1 Ų48.17%0.0727%0.27CS..  trans-73.7139-175.4-66.5-168.727.600111.5G286 D288 G293 G295 M322 A323G286-Q333 WeakPolarHBondContact O-CA 3.41Å; D288-Q333 HydrophobicContact CB-CG 4.13Å; G293-Q333 VanDerWaalsContact C-NE2 3.33Å; G293-Q333 PolarHBondContact O-NE2 2.9Å; G295-Q333 PolarHBondContact O-NE2 2.59Å; M322-Q333 VanDerWaalsContact CE-O 3.27Å; M322-Q333 WeakPolarHBondContact CE-O 3.41Å; A323-Q333 HydrophobicContact CB-CB 3.78Å; A323-Q333 PolarHBondContact N-O 3.22Å
334F95.5Very high90.8Very high0 Ų049 Ų490%027%0.273CS..EExtended strand (participates in β ladder)trans-138.4162.3177.965.6-91.9000110.3L238 F261 Y270 F275 Q285 G286 L320 S321 I336 F351 I380L238-F334 HydrophobicContact CD1-CZ 3.99Å; F261-F334 HydrophobicContact CD2-CD1 4.22Å; F261-F334 AromaticContact CE2-CD1 3.8Å; F261-F334 HydrophobicContact CE2-CD1 3.8Å; F261-F334 AromaticContact CE2-CE1 3.75Å; F261-F334 HydrophobicContact CE2-CE1 3.75Å; F261-F334 HydrophobicContact CE2-CE2 4.48Å; F261-F334 HydrophobicContact CE2-CG 4.2Å; F261-F334 HydrophobicContact CE2-CZ 4.1Å; Y270-F334 HydrophobicContact CD1-CE1 4.16Å; Y270-F334 HydrophobicContact CE1-CD1 4.16Å; Y270-F334 AromaticContact CE1-CE1 3.84Å; Y270-F334 HydrophobicContact CE1-CE1 3.84Å; Y270-F334 HydrophobicContact CE2-CE1 4.46Å; F275-F334 HydrophobicContact CE1-CE2 4.06Å; F275-F334 HydrophobicContact CE1-CZ 4.28Å; Q285-F334 WeakPolarHBondContact CA-O 3.23Å; G286-F334 PolarHBondContact N-O 2.79Å; G286-F334 PolarHBondContact O-N 3.14Å; L320-F334 HydrophobicContact CD1-CB 4.31Å; L320-F334 HydrophobicContact CD1-CD2 3.46Å; L320-F334 VanDerWaalsContact CD1-CD2 3.46Å; L320-F334 HydrophobicContact CD1-CE2 4.09Å; L320-F334 HydrophobicContact CD1-CG 4.16Å; S321-F334 CarbonylContact O-C 3.24Å; S321-F334 VanDerWaalsContact O-CA 3.29Å; S321-F334 WeakPolarHBondContact O-CA 3.36Å; S321-F334 WeakPolarHBondContact O-CB 3.15Å; F334-I336 HydrophobicContact CE2-CG1 4.48Å; F334-F351 HydrophobicContact CB-CE1 4.25Å; F334-F351 HydrophobicContact CB-CZ 4.25Å; F334-I380 HydrophobicContact CZ-CD1 4.26Å
335F94.8Very high90.7Very high7 Ų750.1 Ų50.13%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-136152.1172.564.3-92.4000112.2V283 V284 Q285 H314 S321 M322 A323 T337 L344 H348V283-F335 HydrophobicContact CB-CB 4.26Å; V283-F335 HydrophobicContact CB-CD2 4.01Å; V283-F335 HydrophobicContact CB-CG 4.44Å; V283-F335 HydrophobicContact CG1-CD2 3.69Å; V283-F335 HydrophobicContact CG1-CE2 4.11Å; V284-F335 CarbonylContact O-C 3.59Å; V284-F335 WeakPolarHBondContact O-CA 3.46Å; V284-F335 WeakPolarHBondContact O-CB 3.29Å; Q285-F335 HydrophobicContact CB-CB 3.95Å; Q285-F335 HydrophobicContact CG-CB 4.36Å; H314-F335 AromaticContact NE2-CE2 3.97Å; H314-F335 AromaticContact NE2-CZ 3.8Å; S321-F335 VanDerWaalsContact CB-CZ 3.46Å; S321-F335 PolarHBondContact N-O 2.94Å; S321-F335 PolarHBondContact O-N 3.34Å; M322-F335 WeakPolarHBondContact O-CE1 3.3Å; A323-F335 HydrophobicContact CB-CD1 4.17Å; F335-T337 HydrophobicContact CD2-CG2 4.28Å; F335-T337 HydrophobicContact CE2-CG2 4.05Å; F335-L344 HydrophobicContact CE2-CD1 3.84Å; F335-L344 HydrophobicContact CZ-CD1 3.95Å; F335-H348 HydrophobicContact CE1-CB 4.01Å; F335-H348 AromaticContact CE1-CG 3.79Å; F335-H348 AromaticContact CE1-ND1 3.87Å; F335-H348 HydrophobicContact CZ-CB 3.86Å; F335-H348 AromaticContact CZ-CG 3.86Å
336I95.2Very high90.6Very high1 Ų146.6 Ų46.61%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-111.1126.7175.9-52.1162.6000107.2L245 F247 F275 V283 V284 V319 L320 F334 L361L245-I336 HydrophobicContact CD1-CD1 4.08Å; F247-I336 HydrophobicContact CE1-CD1 4Å; F247-I336 HydrophobicContact CE1-CG1 4.1Å; F247-I336 HydrophobicContact CZ-CD1 3.59Å; F247-I336 HydrophobicContact CZ-CG1 4.14Å; F275-I336 HydrophobicContact CE1-CD1 4.47Å; V283-I336 CarbonylContact C-O 3.53Å; V283-I336 VanDerWaalsContact CA-O 3.3Å; V283-I336 WeakPolarHBondContact CA-O 3.32Å; V284-I336 PolarHBondContact N-O 3.42Å; V284-I336 PolarHBondContact O-N 3.29Å; V319-I336 WeakPolarHBondContact O-CA 3.39Å; L320-I336 HydrophobicContact CD1-CG1 3.95Å; F334-I336 HydrophobicContact CE2-CG1 4.48Å; I336-L361 HydrophobicContact CB-CD1 4.31Å; I336-L361 HydrophobicContact CG2-CD1 3.87Å; I336-L361 HydrophobicContact CG2-CD2 3.9Å
337T94.6Very high90.6Very high0 Ų051.1 Ų51.10%027%0.273CS..EExtended strand (participates in β ladder)trans-76.4131.6178.453.10000111.4V283 G318 V319 F335V283-T337 HydrophobicContact CG1-CG2 4.24Å; G318-T337 PolarHBondContact N-O 3.42Å; V319-T337 WeakPolarHBondContact CA-OG1 3.39Å; V319-T337 HydrophobicContact CB-CG2 4.31Å; V319-T337 VanDerWaalsContact CB-OG1 3.24Å; V319-T337 WeakPolarHBondContact CB-OG1 3.42Å; V319-T337 PolarHBondContact N-OG1 3.34Å; V319-T337 PolarHBondContact O-N 2.82Å; V319-T337 PolarHBondContact O-OG1 2.84Å; V319-T337 VanDerWaalsContact O-OG1 3.13Å; F335-T337 HydrophobicContact CD2-CG2 4.28Å; F335-T337 HydrophobicContact CE2-CG2 4.05Å
338C91.4Very high90.8Very high9 Ų947.8 Ų47.86%0.06125%0.246CC..SBendtrans-90.1-22170.8-71.40000112.1F282 R317F282-C338 PolarHBondContact O-N 3.49Å; R317-C338 WeakPolarHBondContact CB-O 3.39Å; R317-C338 VanDerWaalsContact CD-O 3.28Å; R317-C338 WeakPolarHBondContact CD-O 3.28Å; R317-C338 WeakPolarHBondContact CG-O 3.5Å
339R91.5Very high91.1Very high162 Ų16243.7 Ų43.761%0.61122%0.224SC*.SBendtrans-139.8161.6178-171.7178.3-117.9-140.1-0.5109.7N281 G316 C341N281-R339 WeakPolarHBondContact O-CB 3.4Å; G316-R339 CarbonylContact O-C 3.44Å; R339-C341 PolarHBondContact O-N 3.22Å; R339-C341 PolarHBondContact O-SG 2.99Å
340S91.1Very high91.3Very high61 Ų6142 Ų4243%0.42721%0.213SC..  trans-55119.5169.1-53.80000111.3H314 G316H314-S340 CarbonylContact O-C 3.51Å; H314-S340 VanDerWaalsContact O-CA 3.27Å; H314-S340 WeakPolarHBondContact O-CA 3.47Å; G316-S340 PolarHBondContact N-OG 2.93Å
341C88.6Confident91.4Very high4 Ų442 Ų423%0.02721%0.213CC..  trans-124.159-176.5-65.10000110.7F282 H314 R339 Q343 L344F282-C341 WeakPolarHBondContact CD2-SG 3.5Å; F282-C341 HydrophobicContact CE2-CB 4.27Å; H314-C341 HydrophobicContact CB-CB 4.3Å; H314-C341 WeakPolarHBondContact CB-O 3.44Å; H314-C341 PolarHBondContact O-N 3.35Å; R339-C341 PolarHBondContact O-N 3.22Å; R339-C341 PolarHBondContact O-SG 2.99Å; C341-Q343 PolarHBondContact O-N 3Å; C341-L344 HydrophobicContact CB-CD1 3.83Å; C341-L344 HydrophobicContact CB-CG 4.13Å; C341-L344 WeakPolarHBondContact O-CB 3.4Å; C341-L344 PolarHBondContact O-N 2.95Å
342K87.4Confident91.6Very high135 Ų13540.2 Ų40.259%0.58720%0.202SC*.G310 helixtrans-56.9-19.6-177.1-64.9-174.1176.8-174.70114S315 L344 D345S315-K342 VanDerWaalsContact OG-CE 3.26Å; S315-K342 WeakPolarHBondContact OG-CE 3.41Å; K342-L344 PolarHBondContact O-N 3.2Å; K342-D345 WeakPolarHBondContact O-CB 3.48Å; K342-D345 PolarHBondContact O-N 3.35Å
343Q88.4Confident91.7Very high144 Ų14445.8 Ų45.867%0.67322%0.223SC*.G310 helixtrans-67.2-16.9176.4-5684.8-4.700113.5C341C341-Q343 PolarHBondContact O-N 3Å
344L88.1Confident91.7Very high26 Ų2645.8 Ų45.814%0.13622%0.224CC..G310 helixtrans-91.1-8.3177.4-59-178.4000112.6F282 V283 H314 F335 C341 K342 K347 H348F282-L344 HydrophobicContact CE2-CD1 4.29Å; F282-L344 HydrophobicContact CZ-CD1 4.18Å; V283-L344 HydrophobicContact CG1-CD1 4.38Å; H314-L344 PolarHBondContact CE1-O 2.93Å; F335-L344 HydrophobicContact CE2-CD1 3.84Å; F335-L344 HydrophobicContact CZ-CD1 3.95Å; C341-L344 HydrophobicContact CB-CD1 3.83Å; C341-L344 HydrophobicContact CB-CG 4.13Å; C341-L344 WeakPolarHBondContact O-CB 3.4Å; C341-L344 PolarHBondContact O-N 2.95Å; K342-L344 PolarHBondContact O-N 3.2Å; L344-K347 PolarHBondContact O-N 2.71Å; L344-K347 VanDerWaalsContact O-N 3.13Å; L344-H348 PolarHBondContact O-N 3.16Å
345D87.8Confident91.7Very high52 Ų5249.3 Ų49.328%0.27825%0.245SC..THydrogen-bonded Turntrans-63.3135.3176.2-67.3-13.5000110.3S313 H314 K342 K347S313-D345 WeakPolarHBondContact CA-OD1 3.09Å; S313-D345 WeakPolarHBondContact CB-OD2 3.48Å; S313-D345 PolarHBondContact OG-OD2 3.12Å; H314-D345 WeakPolarHBondContact CB-OD1 3.42Å; H314-D345 IonicContact CE1-OD1 3.62Å; H314-D345 IonicContact CG-OD1 3.6Å; H314-D345 PolarHBondContact N-OD1 3.32Å; H314-D345 IonicContact ND1-OD1 3.65Å; H314-D345 PolarHBondContact ND1-OD1 2.92Å; K342-D345 WeakPolarHBondContact O-CB 3.48Å; K342-D345 PolarHBondContact O-N 3.35Å; D345-K347 PolarHBondContact O-N 3.44Å
346G85.3Confident91.5Very high55 Ų5549.8 Ų49.857%0.56725%0.252SS*.THydrogen-bonded Turntrans70.711.1-176.100000114.4M308M308-G346 WeakPolarHBondContact CE-O 3.34Å; M308-G346 WeakPolarHBondContact SD-CA 3.47Å
347K88.1Confident91.3Very high130 Ų13050.7 Ų50.757%0.56526%0.262SS*.THydrogen-bonded Turntrans-120.3-31.8172.1-64.4-176.5-177.8176.50113.3M308 N324 L344 D345M308-K347 VanDerWaalsContact CE-CA 3.47Å; M308-K347 WeakPolarHBondContact CE-O 3.42Å; N324-K347 PolarHBondContact ND2-O 3.04Å; L344-K347 PolarHBondContact O-N 2.71Å; L344-K347 VanDerWaalsContact O-N 3.13Å; D345-K347 PolarHBondContact O-N 3.44Å
348H90.8Very high91.1Very high33 Ų3354.2 Ų54.215%0.15328%0.279CS..SBendtrans-125.5142.2-178.4-62.7-75.8000111S321 M322 N324 F335 L344 I350S321-H348 WeakPolarHBondContact OG-CB 3.45Å; M322-H348 WeakPolarHBondContact O-CB 3.32Å; M322-H348 PolarHBondContact O-ND1 3.22Å; M322-H348 VanDerWaalsContact O-ND1 3.16Å; N324-H348 PolarHBondContact OD1-CE1 3.25Å; N324-H348 PolarHBondContact OD1-ND1 3.44Å; F335-H348 HydrophobicContact CE1-CB 4.01Å; F335-H348 AromaticContact CE1-CG 3.79Å; F335-H348 AromaticContact CE1-ND1 3.87Å; F335-H348 HydrophobicContact CZ-CB 3.86Å; F335-H348 AromaticContact CZ-CG 3.86Å; L344-H348 PolarHBondContact O-N 3.16Å; H348-I350 PolarHBondContact O-N 3.35Å
349T94Very high91.2Very high0 Ų061.9 Ų61.90%031%0.314CS..  trans-78.2108.4178.8-67.40000110.8A254 A257 D306 E307 S321 M322A254-T349 HydrophobicContact CB-CG2 3.82Å; A257-T349 HydrophobicContact CB-CG2 3.72Å; D306-T349 WeakPolarHBondContact CA-OG1 3.44Å; E307-T349 HydrophobicContact CB-CG2 3.9Å; E307-T349 PolarHBondContact N-OG1 3Å; E307-T349 WeakPolarHBondContact O-CG2 3.07Å; S321-T349 CarbonylContact C-O 3.55Å; S321-T349 VanDerWaalsContact CA-O 3.28Å; S321-T349 WeakPolarHBondContact CA-O 3.29Å; S321-T349 PolarHBondContact OG-O 3.08Å; S321-T349 VanDerWaalsContact OG-O 3.1Å; M322-T349 PolarHBondContact N-O 2.96Å
350I94.7Very high91.3Very high11 Ų1154.8 Ų54.86%0.05629%0.289CS..EExtended strand (participates in β ladder)trans-76.4122.7170.2-58162.5000108L312 H314 V319 H348L312-I350 HydrophobicContact CB-CB 4Å; L312-I350 HydrophobicContact CB-CD1 3.85Å; L312-I350 HydrophobicContact CB-CG2 4.12Å; L312-I350 HydrophobicContact CD1-CB 4.13Å; L312-I350 HydrophobicContact CD1-CG2 4.09Å; L312-I350 VanDerWaalsContact CD1-O 3.28Å; L312-I350 WeakPolarHBondContact CD1-O 3.33Å; H314-I350 WeakPolarHBondContact CE1-CG1 3.47Å; H314-I350 WeakPolarHBondContact NE2-CG1 3.48Å; V319-I350 HydrophobicContact CG1-CB 4.45Å; V319-I350 HydrophobicContact CG1-CD1 4.44Å; V319-I350 HydrophobicContact CG1-CG1 4.18Å; V319-I350 HydrophobicContact CG1-CG2 3.47Å; V319-I350 VanDerWaalsContact CG1-CG2 3.47Å; H348-I350 PolarHBondContact O-N 3.35Å
351F94.9Very high91.3Very high0 Ų051.9 Ų51.90%027%0.268CS..EExtended strand (participates in β ladder)trans-129.1-1.9-177.572.4-87.2000113.3L249 H250 A254 A257 C258 F261 L320 M322 F334L249-F351 CarbonylContact C-O 3.47Å; L249-F351 WeakPolarHBondContact CA-O 3.49Å; L249-F351 HydrophobicContact CD2-CD2 3.94Å; L249-F351 HydrophobicContact CD2-CE2 3.93Å; H250-F351 PolarHBondContact N-O 3.38Å; A254-F351 HydrophobicContact CB-CB 3.75Å; A257-F351 HydrophobicContact CB-CB 3.65Å; A257-F351 HydrophobicContact CB-CD1 4.16Å; A257-F351 HydrophobicContact CB-CG 3.91Å; C258-F351 PolarHBondContact SG-O 3.13Å; F261-F351 HydrophobicContact CB-CD2 4.4Å; F261-F351 HydrophobicContact CB-CE2 3.64Å; F261-F351 HydrophobicContact CB-CZ 4.19Å; F261-F351 AromaticContact CD1-CE2 3.97Å; F261-F351 HydrophobicContact CD1-CE2 3.97Å; F261-F351 AromaticContact CD2-CE2 3.81Å; F261-F351 HydrophobicContact CD2-CE2 3.81Å; F261-F351 AromaticContact CD2-CZ 3.73Å; F261-F351 HydrophobicContact CD2-CZ 3.73Å; F261-F351 HydrophobicContact CE2-CE2 4.43Å; F261-F351 HydrophobicContact CE2-CZ 4.25Å; F261-F351 AromaticContact CG-CE2 3.54Å; F261-F351 HydrophobicContact CG-CE2 3.54Å; F261-F351 AromaticContact CG-CZ 3.97Å; F261-F351 HydrophobicContact CG-CZ 3.97Å; L320-F351 HydrophobicContact CD1-CE1 4.49Å; L320-F351 HydrophobicContact CD1-CZ 4.1Å; L320-F351 HydrophobicContact CD2-CD2 4.18Å; L320-F351 HydrophobicContact CD2-CE1 4.3Å; L320-F351 HydrophobicContact CD2-CE2 3.41Å; L320-F351 VanDerWaalsContact CD2-CE2 3.41Å; L320-F351 HydrophobicContact CD2-CZ 3.49Å; L320-F351 VanDerWaalsContact CD2-CZ 3.49Å; L320-F351 HydrophobicContact CG-CE1 3.84Å; L320-F351 HydrophobicContact CG-CE2 3.9Å; L320-F351 HydrophobicContact CG-CZ 3.49Å; L320-F351 VanDerWaalsContact CG-CZ 3.49Å; L320-F351 PolarHBondContact O-N 3.44Å; L320-F351 VanDerWaalsContact O-N 3.09Å; M322-F351 HydrophobicContact CG-CD1 3.68Å; M322-F351 HydrophobicContact CG-CE1 3.74Å; M322-F351 HydrophobicContact SD-CD1 3.88Å; M322-F351 HydrophobicContact SD-CE1 3.37Å; M322-F351 WeakPolarHBondContact SD-CE1 3.32Å; M322-F351 HydrophobicContact SD-CZ 3.92Å; F334-F351 HydrophobicContact CB-CE1 4.25Å; F334-F351 HydrophobicContact CB-CZ 4.25Å
352G94.6Very high91.5Very high0 Ų053.8 Ų53.80%028%0.282CS..EExtended strand (participates in β ladder)trans-168.5-175.9173.700000114.4E248 L320E248-G352 CarbonylContact O-C 3.55Å; E248-G352 WeakPolarHBondContact O-CA 3.45Å; L320-G352 WeakPolarHBondContact CB-O 3.36Å; L320-G352 PolarHBondContact N-O 3.28Å; L320-G352 PolarHBondContact O-N 3.32Å
353R94.7Very high91.7Very high116 Ų11649.5 Ų49.544%0.43827%0.271SS..EExtended strand (participates in β ladder)trans-144.6150.317566.1-179.5-173170.31.8111.3F247 E248 G318 V355F247-R353 CarbonylContact C-O 3.55Å; F247-R353 WeakPolarHBondContact CA-O 3.33Å; E248-R353 HydrophobicContact CB-CG 4.15Å; E248-R353 PolarHBondContact N-O 3.28Å; E248-R353 PolarHBondContact O-N 2.7Å; E248-R353 IonicContact OE1-CZ 3.66Å; E248-R353 IonicContact OE1-NE 3.83Å; E248-R353 IonicContact OE1-NH2 2.68Å; E248-R353 PolarHBondContact OE1-NH2 2.65Å; E248-R353 IonicContact OE2-CZ 2.68Å; E248-R353 IonicContact OE2-NE 3.94Å; E248-R353 PolarHBondContact OE2-NE 2.69Å; E248-R353 IonicContact OE2-NH2 3.48Å; E248-R353 PolarHBondContact OE2-NH2 3.48Å; G318-R353 CarbonylContact O-C 3.45Å; G318-R353 WeakPolarHBondContact O-CA 3.3Å; R353-V355 HydrophobicContact CG-CG1 4.27Å; R353-V355 PolarHBondContact O-N 3.39Å
354L95.3Very high91.8Very high16 Ų1642.6 Ų42.68%0.08424%0.239CC..EExtended strand (participates in β ladder)trans-76120.7173.4-168.172.2000108.7L245 N246 F247 G318 G356 M358 L361L245-L354 HydrophobicContact CB-CD1 3.9Å; L245-L354 HydrophobicContact CD2-CD1 3.87Å; L245-L354 HydrophobicContact CD2-CD2 4.15Å; L245-L354 HydrophobicContact CG-CD1 4.49Å; N246-L354 WeakPolarHBondContact O-CA 3.38Å; N246-L354 WeakPolarHBondContact O-CD1 3.29Å; F247-L354 HydrophobicContact CD1-CB 4.25Å; F247-L354 HydrophobicContact CD1-CD1 3.82Å; F247-L354 HydrophobicContact CE1-CB 4.14Å; F247-L354 HydrophobicContact CE1-CD1 3.43Å; F247-L354 VanDerWaalsContact CE1-CD1 3.43Å; F247-L354 HydrophobicContact CE1-CG 4.37Å; F247-L354 HydrophobicContact CE2-CD1 4.36Å; F247-L354 HydrophobicContact CG-CD1 4.45Å; F247-L354 HydrophobicContact CZ-CD1 3.73Å; G318-L354 WeakPolarHBondContact O-CB 3.45Å; G318-L354 PolarHBondContact O-N 3.46Å; L354-G356 VanDerWaalsContact CD1-O 3.23Å; L354-G356 WeakPolarHBondContact CD1-O 3.34Å; L354-M358 HydrophobicContact CD2-CG 4.46Å; L354-M358 HydrophobicContact CD2-SD 3.62Å; L354-M358 HydrophobicContact CG-SD 4.27Å; L354-L361 HydrophobicContact CD2-CB 4Å; L354-L361 HydrophobicContact CD2-CD2 3.83Å; L354-L361 HydrophobicContact CD2-CG 4.5Å
355V93.6Very high91.9Very high73 Ų7342.3 Ų42.344%0.44224%0.237SC..EExtended strand (participates in β ladder)trans-104.7-19.1177.5-68.30000112.6N246 E248 R353N246-V355 HydrophobicContact CB-CG2 4.05Å; N246-V355 WeakPolarHBondContact O-CG2 3.46Å; N246-V355 PolarHBondContact O-N 3.38Å; E248-V355 HydrophobicContact CB-CG1 3.54Å; E248-V355 HydrophobicContact CB-CG2 4.4Å; E248-V355 VanDerWaalsContact OE2-CG1 3.25Å; E248-V355 WeakPolarHBondContact OE2-CG1 3.35Å; R353-V355 HydrophobicContact CG-CG1 4.27Å; R353-V355 PolarHBondContact O-N 3.39Å
356G92.1Very high92Very high17 Ų1745.3 Ų45.318%0.17525%0.25CC..EExtended strand (participates in β ladder)trans-154.5154.1176.900000111.5N246 L354N246-G356 PolarHBondContact N-O 3.07Å; N246-G356 PolarHBondContact O-N 3.2Å; L354-G356 VanDerWaalsContact CD1-O 3.23Å; L354-G356 WeakPolarHBondContact CD1-O 3.34Å
357G90.5Very high92.2Very high21 Ų2143.2 Ų43.222%0.21623%0.226CC..  trans89.825.2-173.400000114.2P244 L245 E359 T360 L361P244-G357 VanDerWaalsContact O-CA 3.32Å; P244-G357 WeakPolarHBondContact O-CA 3.36Å; L245-G357 WeakPolarHBondContact CD2-O 3.49Å; G357-E359 PolarHBondContact O-N 3.13Å; G357-T360 VanDerWaalsContact O-CB 3.29Å; G357-T360 WeakPolarHBondContact O-CB 3.25Å; G357-T360 PolarHBondContact O-N 3.39Å; G357-T360 VanDerWaalsContact O-N 3.14Å; G357-L361 PolarHBondContact O-N 2.8Å
358M90.7Very high92.3Very high73 Ų7340.7 Ų40.736%0.3622%0.223SC..Hα-helixtrans-59.9-32.8174.2-67.7-65.6-6700112.4R317 L354 L361 S362R317-M358 HydrophobicContact CB-CE 4.16Å; R317-M358 HydrophobicContact CG-CE 3.65Å; L354-M358 HydrophobicContact CD2-CG 4.46Å; L354-M358 HydrophobicContact CD2-SD 3.62Å; L354-M358 HydrophobicContact CG-SD 4.27Å; M358-L361 PolarHBondContact O-N 3.01Å; M358-S362 WeakPolarHBondContact O-CB 3.36Å; M358-S362 PolarHBondContact O-N 3.06Å; M358-S362 PolarHBondContact O-OG 3.23Å
359E93.3Very high92.1Very high170 Ų17041.9 Ų41.979%0.79423%0.232SC*.Hα-helixtrans-64.3-46.6173.2-65.4168-163.800110.8G357 L361 S362 A363G357-E359 PolarHBondContact O-N 3.13Å; E359-L361 VanDerWaalsContact C-N 3.34Å; E359-L361 PolarHBondContact O-N 3.44Å; E359-S362 CarbonylContact O-C 3.54Å; E359-S362 WeakPolarHBondContact O-CB 3.48Å; E359-S362 PolarHBondContact O-N 2.92Å; E359-S362 VanDerWaalsContact O-N 3.11Å; E359-A363 WeakPolarHBondContact O-CB 3.29Å; E359-A363 PolarHBondContact O-N 3.44Å
360T92.8Very high91.9Very high13 Ų1347.9 Ų47.98%0.0826%0.26CS..Hα-helixtrans-56.7-46.8172.9-48.70000111.1K242 G243 P244 L245 G357 S362 A363 I364K242-T360 HydrophobicContact CB-CG2 4.22Å; G243-T360 WeakPolarHBondContact O-CG2 3.21Å; P244-T360 WeakPolarHBondContact O-CB 3.45Å; P244-T360 PolarHBondContact O-OG1 2.8Å; L245-T360 HydrophobicContact CD2-CG2 3.92Å; L245-T360 HydrophobicContact CG-CG2 4.07Å; G357-T360 VanDerWaalsContact O-CB 3.29Å; G357-T360 WeakPolarHBondContact O-CB 3.25Å; G357-T360 PolarHBondContact O-N 3.39Å; G357-T360 VanDerWaalsContact O-N 3.14Å; T360-S362 VanDerWaalsContact C-N 3.28Å; T360-S362 PolarHBondContact O-N 3.01Å; T360-A363 PolarHBondContact O-N 3.35Å; T360-I364 HydrophobicContact CG2-CD1 3.96Å; T360-I364 HydrophobicContact CG2-CG1 4.49Å; T360-I364 WeakPolarHBondContact O-CB 3.43Å; T360-I364 VanDerWaalsContact O-CG1 3.27Å; T360-I364 WeakPolarHBondContact O-CG1 3.41Å; T360-I364 PolarHBondContact O-N 3.25Å
361L92.5Very high91.5Very high0 Ų054.4 Ų54.40%030%0.295CS..Hα-helixtrans-61.6-38.1177.1-179.464.7000111.6L245 V284 R317 I336 L354 G357 M358 E359 E365L245-L361 HydrophobicContact CD2-CB 4.26Å; V284-L361 HydrophobicContact CG2-CD1 4.14Å; R317-L361 HydrophobicContact CG-CD2 4.1Å; I336-L361 HydrophobicContact CB-CD1 4.31Å; I336-L361 HydrophobicContact CG2-CD1 3.87Å; I336-L361 HydrophobicContact CG2-CD2 3.9Å; L354-L361 HydrophobicContact CD2-CB 4Å; L354-L361 HydrophobicContact CD2-CD2 3.83Å; L354-L361 HydrophobicContact CD2-CG 4.5Å; G357-L361 PolarHBondContact O-N 2.8Å; M358-L361 PolarHBondContact O-N 3.01Å; E359-L361 VanDerWaalsContact C-N 3.34Å; E359-L361 PolarHBondContact O-N 3.44Å; L361-E365 WeakPolarHBondContact O-CB 3.38Å; L361-E365 PolarHBondContact O-N 3.26Å
362S92Very high91.1Very high45 Ų4557.6 Ų57.632%0.31531%0.312SS..Hα-helixtrans-68.4-38.9175.8-55.50000112R317 M358 E359 T360 E365 Q366R317-S362 PolarHBondContact NH1-OG 3.49Å; R317-S362 VanDerWaalsContact NH1-OG 3.12Å; R317-S362 VanDerWaalsContact NH2-CA 3.32Å; R317-S362 PolarHBondContact NH2-OG 3.38Å; R317-S362 VanDerWaalsContact NH2-OG 3.09Å; M358-S362 WeakPolarHBondContact O-CB 3.36Å; M358-S362 PolarHBondContact O-N 3.06Å; M358-S362 PolarHBondContact O-OG 3.23Å; E359-S362 CarbonylContact O-C 3.54Å; E359-S362 WeakPolarHBondContact O-CB 3.48Å; E359-S362 PolarHBondContact O-N 2.92Å; E359-S362 VanDerWaalsContact O-N 3.11Å; T360-S362 VanDerWaalsContact C-N 3.28Å; T360-S362 PolarHBondContact O-N 3.01Å; S362-E365 PolarHBondContact O-N 2.86Å; S362-Q366 WeakPolarHBondContact O-CB 3.38Å; S362-Q366 PolarHBondContact O-N 3.08Å; S362-Q366 VanDerWaalsContact O-N 3.12Å
363A91.6Very high90.8Very high44 Ų4464 Ų6436%0.36434%0.337SS..Hα-helixtrans-66-41.5175.600000111.8E359 T360 Q366 V367E359-A363 WeakPolarHBondContact O-CB 3.29Å; E359-A363 PolarHBondContact O-N 3.44Å; T360-A363 PolarHBondContact O-N 3.35Å; A363-Q366 PolarHBondContact O-N 2.97Å; A363-V367 WeakPolarHBondContact O-CG2 3.3Å
364I91.1Very high90.5Very high0 Ų058.9 Ų58.90%032%0.318CS..Hα-helixtrans-62-43.9174.7-72.1170.1000110.8K242 L245 V278 V284 T360 Q366 V367 I378K242-I364 HydrophobicContact CB-CG1 3.94Å; K242-I364 HydrophobicContact CG-CG1 4.06Å; L245-I364 HydrophobicContact CD1-CD1 4.19Å; V278-I364 HydrophobicContact CG2-CG2 4.44Å; V284-I364 HydrophobicContact CG1-CG2 3.93Å; V284-I364 HydrophobicContact CG2-CG2 3.97Å; T360-I364 HydrophobicContact CG2-CD1 3.96Å; T360-I364 HydrophobicContact CG2-CG1 4.49Å; T360-I364 WeakPolarHBondContact O-CB 3.43Å; T360-I364 VanDerWaalsContact O-CG1 3.27Å; T360-I364 WeakPolarHBondContact O-CG1 3.41Å; T360-I364 PolarHBondContact O-N 3.25Å; I364-Q366 VanDerWaalsContact C-N 3.3Å; I364-Q366 PolarHBondContact O-N 2.91Å; I364-V367 WeakPolarHBondContact O-CB 3.24Å; I364-V367 PolarHBondContact O-N 2.93Å; I364-I378 HydrophobicContact CB-CD1 4.14Å; I364-I378 HydrophobicContact CD1-CG2 4.1Å; I364-I378 HydrophobicContact CG1-CD1 4.17Å; I364-I378 HydrophobicContact CG1-CG2 3.95Å; I364-I378 HydrophobicContact CG2-CD1 3.66Å
365E90Very high90.2Very high19 Ų1963.3 Ų63.39%0.08934%0.341CS..Hα-helixtrans-64.9-31.2179.2175.8178.1-151.700113.6R280 N281 R317 L361 S362 V367R280-E365 HydrophobicContact CB-CG 4.42Å; R280-E365 HydrophobicContact CG-CG 3.94Å; N281-E365 WeakPolarHBondContact CA-OE1 3.13Å; N281-E365 PolarHBondContact N-OE1 2.72Å; R317-E365 IonicContact CZ-OE2 3.86Å; R317-E365 IonicContact NH1-OE2 2.9Å; R317-E365 IonicContact NH2-OE2 2.95Å; R317-E365 PolarHBondContact NH2-OE2 2.94Å; L361-E365 WeakPolarHBondContact O-CB 3.38Å; L361-E365 PolarHBondContact O-N 3.26Å; S362-E365 PolarHBondContact O-N 2.86Å; E365-V367 VanDerWaalsContact C-N 3.3Å
366Q89.7Confident89.9Confident116 Ų11664.4 Ų64.454%0.54234%0.341SS..THydrogen-bonded Turntrans-82.2-7.2-177.6-171.262.534.800112.9R280 S362 A363 I364R280-Q366 VanDerWaalsContact CZ-OE1 3.25Å; S362-Q366 WeakPolarHBondContact O-CB 3.38Å; S362-Q366 PolarHBondContact O-N 3.08Å; S362-Q366 VanDerWaalsContact O-N 3.12Å; A363-Q366 PolarHBondContact O-N 2.97Å; I364-Q366 VanDerWaalsContact C-N 3.3Å; I364-Q366 PolarHBondContact O-N 2.91Å
367V89.6Confident89.7Confident11 Ų1168.1 Ų68.17%0.06736%0.357CS..SBendtrans-64.5131.2176.6176.20000109.9A363 I364 E365 T369 P374 E376 I378A363-V367 WeakPolarHBondContact O-CG2 3.3Å; I364-V367 WeakPolarHBondContact O-CB 3.24Å; I364-V367 PolarHBondContact O-N 2.93Å; E365-V367 VanDerWaalsContact C-N 3.3Å; V367-T369 PolarHBondContact O-N 3.37Å; V367-P374 HydrophobicContact CG1-CB 3.88Å; V367-E376 HydrophobicContact CG1-CB 3.96Å; V367-E376 HydrophobicContact CG1-CG 4.46Å; V367-I378 HydrophobicContact CB-CD1 4.25Å; V367-I378 HydrophobicContact CG1-CD1 4.48Å; V367-I378 HydrophobicContact CG2-CD1 3.9Å
368P89Confident89.7Confident77 Ų7767.1 Ų67.150%0.535%0.347SS..  trans-64.3135177.126.9-34.7000111L375P368-L375 HydrophobicContact CB-CD1 4.09Å; P368-L375 HydrophobicContact CG-CD1 4.15Å; P368-L375 PolarHBondContact O-N 3.39Å
369T88.4Confident89.8Confident58 Ų5865.5 Ų65.536%0.35634%0.341SS..EExtended strand (participates in β ladder)trans-120144.3-176.655.80000111.1V278 V367 R373 P374V278-T369 HydrophobicContact CB-CG2 3.92Å; V278-T369 HydrophobicContact CG1-CG2 4.19Å; V278-T369 WeakPolarHBondContact O-CG2 3.4Å; V367-T369 PolarHBondContact O-N 3.37Å; T369-R373 CarbonylContact C-O 3.51Å; T369-R373 WeakPolarHBondContact CA-O 3.44Å; T369-R373 WeakPolarHBondContact CB-O 3.4Å; T369-P374 HydrophobicContact CG2-CB 4.11Å
370E88.1Confident89.8Confident125 Ų12557.5 Ų57.558%0.58430%0.304SS*.EExtended strand (participates in β ladder)trans-113.6120.1169.8-176.7-179-174.700107.9D372 R373 L375E370-D372 VanDerWaalsContact C-N 3.34Å; E370-D372 PolarHBondContact O-N 2.79Å; E370-R373 PolarHBondContact N-O 2.88Å; E370-R373 WeakPolarHBondContact O-CB 3.41Å; E370-R373 PolarHBondContact O-N 3.4Å; E370-L375 HydrophobicContact CB-CD2 3.99Å
371N86.4Confident89.8Confident149 Ų14960.4 Ų60.480%0.79732%0.322SS*.THydrogen-bonded Turntrans50.250.4-177.3-58.6-41.5000113.1R373N371-R373 PolarHBondContact O-N 3.04Å; N371-R373 VanDerWaalsContact O-N 3.08Å
372D86.7Confident89.8Confident67 Ų6762.7 Ų62.736%0.35834%0.338SS..THydrogen-bonded Turntrans63.8-3.6-173.9-56.1-24.5000116.1R277 V278 I279 E370R277-D372 CarbonylContact C-O 3.48Å; R277-D372 WeakPolarHBondContact CA-O 3.37Å; R277-D372 HydrophobicContact CG-CB 3.89Å; R277-D372 IonicContact NE-OD2 2.82Å; V278-D372 PolarHBondContact N-O 3.09Å; I279-D372 HydrophobicContact CD1-CB 4.47Å; I279-D372 WeakPolarHBondContact CD1-OD2 3.48Å; I279-D372 HydrophobicContact CG1-CB 4.02Å; E370-D372 VanDerWaalsContact C-N 3.34Å; E370-D372 PolarHBondContact O-N 2.79Å
373R88.4Confident89.7Confident135 Ų13561.7 Ų61.751%0.50933%0.331SS..EExtended strand (participates in β ladder)trans-93.3128.9177.4-173.9175178.2164.61.4110.5T369 E370 N371T369-R373 CarbonylContact C-O 3.51Å; T369-R373 WeakPolarHBondContact CA-O 3.44Å; T369-R373 WeakPolarHBondContact CB-O 3.4Å; E370-R373 PolarHBondContact N-O 2.88Å; E370-R373 WeakPolarHBondContact O-CB 3.41Å; E370-R373 PolarHBondContact O-N 3.4Å; N371-R373 PolarHBondContact O-N 3.04Å; N371-R373 VanDerWaalsContact O-N 3.08Å
374P88.7Confident89.8Confident7 Ų761.4 Ų61.45%0.04533%0.328CS..EExtended strand (participates in β ladder)trans-67.4136.8178.928.5-34.7000111.1F275 V278 V367 T369 E376 I378F275-P374 WeakPolarHBondContact O-CD 3.21Å; F275-P374 VanDerWaalsContact O-CG 3.28Å; F275-P374 WeakPolarHBondContact O-CG 3.38Å; V278-P374 HydrophobicContact CG2-CB 4.41Å; V278-P374 HydrophobicContact CG2-CG 4.08Å; V367-P374 HydrophobicContact CG1-CB 3.88Å; T369-P374 HydrophobicContact CG2-CB 4.11Å; P374-E376 VanDerWaalsContact C-N 3.34Å; P374-E376 WeakPolarHBondContact CB-O 3.33Å; P374-I378 HydrophobicContact CB-CD1 4.32Å
375L88.9Confident89.9Confident109 Ų10963.3 Ų63.357%0.57134%0.34SS*.SBendtrans-66.5-39.4176.3-69.3174.8000111.2P368 E370P368-L375 HydrophobicContact CB-CD1 4.09Å; P368-L375 HydrophobicContact CG-CD1 4.15Å; P368-L375 PolarHBondContact O-N 3.39Å; E370-L375 HydrophobicContact CB-CD2 3.99Å
376E88.3Confident89.9Confident96 Ų9668.6 Ų68.645%0.44936%0.362SS..SBendtrans-86.8123.3170.5-64.9-177.3-176.200109.7K242 V367 P374 I378K242-E376 WeakPolarHBondContact CE-OE2 3.31Å; K242-E376 IonicContact NZ-OE2 3.4Å; K242-E376 PolarHBondContact NZ-OE2 3.04Å; V367-E376 HydrophobicContact CG1-CB 3.96Å; V367-E376 HydrophobicContact CG1-CG 4.46Å; P374-E376 VanDerWaalsContact C-N 3.34Å; P374-E376 WeakPolarHBondContact CB-O 3.33Å; E376-I378 WeakPolarHBondContact O-CG1 3.49Å; E376-I378 PolarHBondContact O-N 2.97Å; E376-I378 VanDerWaalsContact O-N 3.12Å
377N87.7Confident90Very high95 Ų9566.2 Ų66.251%0.50835%0.353SS..  trans-64.2115.7177.5-73.8-25.7000110.7N241 L274N241-N377 PolarHBondContact ND2-O 2.86Å; L274-N377 HydrophobicContact CD2-CB 3.68Å
378I89.9Confident90Very high1 Ų166.6 Ų66.61%0.00535%0.354CS..  trans-97.4108.7175-49.7177.1000107.4N241 K242 L274 F275 I364 V367 P374 E376N241-I378 WeakPolarHBondContact OD1-CA 3.02Å; N241-I378 VanDerWaalsContact OD1-CG2 3.29Å; N241-I378 WeakPolarHBondContact OD1-CG2 3.3Å; K242-I378 HydrophobicContact CG-CG2 4.45Å; L274-I378 WeakPolarHBondContact CA-O 3.29Å; F275-I378 HydrophobicContact CB-CB 4.34Å; F275-I378 HydrophobicContact CD2-CB 4.14Å; F275-I378 HydrophobicContact CD2-CG2 3.64Å; F275-I378 HydrophobicContact CE2-CG2 4.3Å; F275-I378 PolarHBondContact N-O 3.45Å; I364-I378 HydrophobicContact CB-CD1 4.14Å; I364-I378 HydrophobicContact CD1-CG2 4.1Å; I364-I378 HydrophobicContact CG1-CD1 4.17Å; I364-I378 HydrophobicContact CG1-CG2 3.95Å; I364-I378 HydrophobicContact CG2-CD1 3.66Å; V367-I378 HydrophobicContact CB-CD1 4.25Å; V367-I378 HydrophobicContact CG1-CD1 4.48Å; V367-I378 HydrophobicContact CG2-CD1 3.9Å; P374-I378 HydrophobicContact CB-CD1 4.32Å; E376-I378 WeakPolarHBondContact O-CG1 3.49Å; E376-I378 PolarHBondContact O-N 2.97Å; E376-I378 VanDerWaalsContact O-N 3.12Å
379V92.2Very high89.9Confident39 Ų3963 Ų6324%0.23633%0.332CS..BIsolated β-bridgetrans-112.8146.1-175.2-66.90000111.2T240 N241 T273 L274 V381T240-V379 VanDerWaalsContact CA-O 3.27Å; T240-V379 WeakPolarHBondContact CA-O 3.44Å; N241-V379 HydrophobicContact CB-CG2 4.22Å; N241-V379 PolarHBondContact N-O 3.2Å; N241-V379 VanDerWaalsContact N-O 3.14Å; N241-V379 PolarHBondContact OD1-N 3.3Å; T273-V379 WeakPolarHBondContact O-CA 3.39Å; L274-V379 HydrophobicContact CD2-CG1 3.43Å; L274-V379 VanDerWaalsContact CD2-CG1 3.43Å; L274-V379 HydrophobicContact CG-CG1 4.11Å; V379-V381 HydrophobicContact CG2-CG2 4.36Å; V379-V381 PolarHBondContact O-N 3.3Å
380I93.1Very high90Very high1 Ų160.6 Ų60.61%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-82.3111.7167.4-61.4169.3000107.7L238 T240 Y270 N272 T273 F275 F334L238-I380 HydrophobicContact CB-CG2 4.45Å; L238-I380 HydrophobicContact CD1-CD1 4.04Å; L238-I380 HydrophobicContact CD2-CG2 4.42Å; T240-I380 HydrophobicContact CG2-CG1 4.34Å; Y270-I380 WeakPolarHBondContact O-CB 3.38Å; N272-I380 WeakPolarHBondContact CA-O 3.42Å; N272-I380 PolarHBondContact N-O 3.23Å; T273-I380 PolarHBondContact O-N 3.02Å; F275-I380 HydrophobicContact CE2-CD1 4.23Å; F275-I380 HydrophobicContact CE2-CG1 3.81Å; F275-I380 HydrophobicContact CZ-CD1 4.07Å; F275-I380 HydrophobicContact CZ-CG1 4.12Å; F334-I380 HydrophobicContact CZ-CD1 4.26Å
381V93Very high89.9Confident75 Ų7560 Ų6046%0.45531%0.313SS..EExtended strand (participates in β ladder)trans-79.7-41.8-178.2-179.40000111V239 V379V239-V381 PolarHBondContact O-N 3.42Å; V379-V381 HydrophobicContact CG2-CG2 4.36Å; V379-V381 PolarHBondContact O-N 3.3Å
382S92Very high89.9Confident48 Ų4859 Ų5934%0.33630%0.302SS..EExtended strand (participates in β ladder)trans-153.2157.2177.467.60000112.4V239V239-S382 WeakPolarHBondContact CB-OG 3.3Å; V239-S382 WeakPolarHBondContact CG2-OG 3.5Å; V239-S382 PolarHBondContact N-O 2.77Å; V239-S382 PolarHBondContact O-N 2.82Å
383S91.6Very high89.8Confident24 Ų2456 Ų5617%0.16829%0.286CS..EExtended strand (participates in β ladder)trans-124134.8174.647.10000109.9R237 C265R237-S383 WeakPolarHBondContact O-CA 3.34Å; C265-S383 PolarHBondContact O-OG 3.42Å
384A92.8Very high89.8Confident38 Ų3851.1 Ų51.131%0.31427%0.273SS..EExtended strand (participates in β ladder)trans-128.7125176.300000109.6V236 R237V236-A384 WeakPolarHBondContact CA-O 3.49Å; R237-A384 PolarHBondContact N-O 3.21Å; R237-A384 PolarHBondContact O-N 3.01Å
385V92.4Very high89.8Confident39 Ų3956.2 Ų56.224%0.23630%0.296CS..EExtended strand (participates in β ladder)trans-98.7118.2174.4-1790000108V236 I262 C265 K266 D388V236-V385 HydrophobicContact CG1-CG2 4.46Å; V236-V385 HydrophobicContact CG2-CG1 4.28Å; V236-V385 HydrophobicContact CG2-CG2 4.12Å; I262-V385 HydrophobicContact CG2-CG1 4.04Å; I262-V385 HydrophobicContact CG2-CG2 4.35Å; C265-V385 HydrophobicContact CB-CG2 3.7Å; K266-V385 HydrophobicContact CG-CB 4.36Å; K266-V385 HydrophobicContact CG-CG2 3.9Å; V385-D388 HydrophobicContact CG1-CB 4.12Å
386F91.3Very high89.7Confident130 Ų13056.2 Ų56.257%0.5729%0.293SS*.EExtended strand (participates in β ladder)trans-90.6-42.5-179.1-68-70.8000112.3Y235 R237Y235-F386 PolarHBondContact O-N 3.12Å; R237-F386 HydrophobicContact CB-CD2 4.34Å; R237-F386 HydrophobicContact CB-CE2 3.51Å; R237-F386 HydrophobicContact CB-CZ 4.28Å; R237-F386 HydrophobicContact CG-CE2 4.47Å
387I90.9Very high89.6Confident66 Ų6652.2 Ų52.234%0.33827%0.274SS..EExtended strand (participates in β ladder)trans-132113.3-179.4-65.1169.9000107.4K233 G234 Y235 P389K233-I387 WeakPolarHBondContact O-CG2 3Å; G234-I387 WeakPolarHBondContact CA-O 3.23Å; Y235-I387 HydrophobicContact CD2-CB 4.04Å; Y235-I387 HydrophobicContact CD2-CD1 3.47Å; Y235-I387 VanDerWaalsContact CD2-CD1 3.47Å; Y235-I387 HydrophobicContact CD2-CG1 4.18Å; Y235-I387 HydrophobicContact CE2-CD1 3.97Å; Y235-I387 HydrophobicContact CG-CD1 4.35Å; Y235-I387 PolarHBondContact N-O 3.17Å; Y235-I387 PolarHBondContact O-N 2.64Å; I387-P389 WeakPolarHBondContact O-CD 3.39Å
388D89.5Confident89.6Confident19 Ų1955.5 Ų55.510%0.10228%0.28CS..  trans-105105.4170.1-171.3-13.5000109.9I262 K266 V385 F390 E391I262-D388 HydrophobicContact CG2-CB 4.39Å; I262-D388 WeakPolarHBondContact CG2-OD2 3.46Å; K266-D388 WeakPolarHBondContact CE-OD2 3.45Å; K266-D388 IonicContact NZ-OD2 3.34Å; K266-D388 PolarHBondContact NZ-OD2 3.23Å; V385-D388 HydrophobicContact CG1-CB 4.12Å; D388-F390 VanDerWaalsContact C-N 3.34Å; D388-F390 WeakPolarHBondContact OD1-CA 3.21Å; D388-F390 WeakPolarHBondContact OD1-CB 3.21Å; D388-F390 PolarHBondContact OD1-N 3.45Å; D388-E391 HydrophobicContact CB-CB 4.14Å; D388-E391 PolarHBondContact OD1-N 2.88Å
389P88.5Confident89.5Confident3 Ų359.4 Ų59.42%0.01930%0.301CS..Hα-helixtrans-76.9-20.2176.733.1-35.7000113.1V230 S232 C251 I387 A393V230-P389 HydrophobicContact CG1-CB 4.08Å; V230-P389 HydrophobicContact CG1-CG 4.21Å; S232-P389 WeakPolarHBondContact O-CB 3.39Å; S232-P389 VanDerWaalsContact OG-CB 3.31Å; S232-P389 WeakPolarHBondContact OG-CB 3.16Å; C251-P389 HydrophobicContact CB-CG 3.82Å; C251-P389 WeakPolarHBondContact SG-CG 3.12Å; I387-P389 WeakPolarHBondContact O-CD 3.39Å; P389-A393 WeakPolarHBondContact O-CB 3.2Å; P389-A393 PolarHBondContact O-N 2.81Å
390F88.6Confident89.3Confident7 Ų760.9 Ų60.93%0.03131%0.305CS..Hα-helixtrans-75.4-37.8179.9-60.8-76.8000111.6Y227 V230 C251 P255 C258 E259 I262 D388 A393 S394Y227-F390 HydrophobicContact CD1-CD1 4.06Å; Y227-F390 AromaticContact CD1-CE1 3.72Å; Y227-F390 HydrophobicContact CD1-CE1 3.72Å; Y227-F390 HydrophobicContact CE1-CD1 4.01Å; Y227-F390 AromaticContact CE1-CE1 3.74Å; Y227-F390 HydrophobicContact CE1-CE1 3.74Å; V230-F390 HydrophobicContact CG1-CE1 4.22Å; V230-F390 HydrophobicContact CG2-CD1 3.66Å; V230-F390 HydrophobicContact CG2-CE1 3.9Å; V230-F390 HydrophobicContact CG2-CG 4.47Å; C251-F390 HydrophobicContact CB-CE2 4.01Å; C251-F390 HydrophobicContact CB-CZ 3.73Å; P255-F390 HydrophobicContact CB-CE1 4.03Å; P255-F390 HydrophobicContact CB-CZ 4.34Å; P255-F390 WeakPolarHBondContact O-CZ 3.24Å; C258-F390 HydrophobicContact CB-CE2 3.74Å; C258-F390 HydrophobicContact CB-CZ 3.73Å; E259-F390 HydrophobicContact CB-CD1 4.23Å; E259-F390 HydrophobicContact CB-CD2 4.14Å; E259-F390 HydrophobicContact CB-CE1 4.09Å; E259-F390 HydrophobicContact CB-CE2 3.99Å; E259-F390 HydrophobicContact CB-CG 4.26Å; E259-F390 HydrophobicContact CB-CZ 3.98Å; E259-F390 HydrophobicContact CG-CG 4.49Å; I262-F390 HydrophobicContact CD1-CD2 3.82Å; I262-F390 HydrophobicContact CD1-CE2 3.81Å; D388-F390 VanDerWaalsContact C-N 3.34Å; D388-F390 WeakPolarHBondContact OD1-CA 3.21Å; D388-F390 WeakPolarHBondContact OD1-CB 3.21Å; D388-F390 PolarHBondContact OD1-N 3.45Å; F390-A393 PolarHBondContact O-N 3.21Å; F390-S394 WeakPolarHBondContact O-CB 3.29Å; F390-S394 PolarHBondContact O-N 3.3Å; F390-S394 PolarHBondContact O-OG 2.83Å
391E86.4Confident89Confident111 Ų11163.5 Ų63.552%0.51932%0.315SS..Hα-helixtrans-59.5-49.1173.8-175.1166.4-162.900110.7K266 D388 A393 S394 E395K266-E391 IonicContact NZ-OE2 2.71Å; K266-E391 PolarHBondContact NZ-OE2 3.07Å; D388-E391 HydrophobicContact CB-CB 4.14Å; D388-E391 PolarHBondContact OD1-N 2.88Å; E391-A393 VanDerWaalsContact C-N 3.34Å; E391-A393 PolarHBondContact O-N 2.81Å; E391-S394 PolarHBondContact O-N 3.48Å; E391-S394 VanDerWaalsContact O-N 3.16Å; E391-S394 PolarHBondContact O-OG 3.44Å; E391-E395 PolarHBondContact O-N 3.11Å
392K86.5Confident88.7Confident129 Ų12966.2 Ų66.256%0.56132%0.323SS*.Hα-helixtrans-58.7-42.8174.6-66.7-177.2178.6-178.10112.8S394 E395 Q396K392-S394 VanDerWaalsContact C-N 3.34Å; K392-E395 PolarHBondContact O-N 2.9Å; K392-Q396 WeakPolarHBondContact O-CB 3.3Å; K392-Q396 PolarHBondContact O-N 3.1Å
393A85.8Confident88.6Confident3 Ų368.2 Ų68.23%0.02533%0.333CS..Hα-helixtrans-65.8-38177.500000112.2K226 R229 V230 P389 F390 E391 L397K226-A393 HydrophobicContact CG-CB 4.27Å; R229-A393 HydrophobicContact CB-CB 4.11Å; V230-A393 HydrophobicContact CG2-CB 3.58Å; P389-A393 WeakPolarHBondContact O-CB 3.2Å; P389-A393 PolarHBondContact O-N 2.81Å; F390-A393 PolarHBondContact O-N 3.21Å; E391-A393 VanDerWaalsContact C-N 3.34Å; E391-A393 PolarHBondContact O-N 2.81Å; A393-L397 WeakPolarHBondContact O-CB 3.39Å; A393-L397 PolarHBondContact O-N 3.39Å
394S87Confident88.4Confident33 Ų3368.9 Ų68.923%0.23134%0.34CS..Hα-helixtrans-67.9-38.1177.377.40000112.2F390 E391 K392 L397 R398F390-S394 WeakPolarHBondContact O-CB 3.29Å; F390-S394 PolarHBondContact O-N 3.3Å; F390-S394 PolarHBondContact O-OG 2.83Å; E391-S394 PolarHBondContact O-N 3.48Å; E391-S394 VanDerWaalsContact O-N 3.16Å; E391-S394 PolarHBondContact O-OG 3.44Å; K392-S394 VanDerWaalsContact C-N 3.34Å; S394-L397 PolarHBondContact O-N 3.19Å; S394-R398 VanDerWaalsContact O-CG 3.31Å; S394-R398 WeakPolarHBondContact O-CG 3.3Å; S394-R398 PolarHBondContact O-N 3.21Å; S394-R398 VanDerWaalsContact O-N 3.08Å
395E89Confident88Confident115 Ų11571 Ų7154%0.53734%0.344SS..Hα-helixtrans-65.2-49.3174.3-174.4174.3-15400110.8E391 K392 L397 R398 D399E391-E395 PolarHBondContact O-N 3.11Å; K392-E395 PolarHBondContact O-N 2.9Å; E395-L397 VanDerWaalsContact C-N 3.26Å; E395-L397 PolarHBondContact O-N 2.88Å; E395-R398 WeakPolarHBondContact O-CB 3.3Å; E395-R398 PolarHBondContact O-N 3.38Å; E395-D399 PolarHBondContact O-N 3.34Å
396Q87.6Confident87.9Confident108 Ų10877.6 Ų77.651%0.50537%0.365SS..Hα-helixtrans-55.8-40.9175.3-174.4179.57.300112.3K392 D399 E400K392-Q396 WeakPolarHBondContact O-CB 3.3Å; K392-Q396 PolarHBondContact O-N 3.1Å; Q396-D399 PolarHBondContact O-N 3.45Å; Q396-E400 WeakPolarHBondContact O-CB 3.46Å; Q396-E400 PolarHBondContact O-N 2.99Å
397L85.8Confident87.6Confident12 Ų1276.3 Ų76.36%0.06336%0.36CS..Hα-helixtrans-66.6-37.4177.4179.961.4000112.3I190 L225 A393 S394 E395 R401I190-L397 HydrophobicContact CG2-CD1 4.05Å; L225-L397 HydrophobicContact CD2-CD1 3.59Å; L225-L397 HydrophobicContact CD2-CD2 4.03Å; L225-L397 HydrophobicContact CD2-CG 4.46Å; L225-L397 HydrophobicContact CG-CD1 3.92Å; L225-L397 HydrophobicContact CG-CD2 4.24Å; A393-L397 WeakPolarHBondContact O-CB 3.39Å; A393-L397 PolarHBondContact O-N 3.39Å; S394-L397 PolarHBondContact O-N 3.19Å; E395-L397 VanDerWaalsContact C-N 3.26Å; E395-L397 PolarHBondContact O-N 2.88Å; L397-R401 WeakPolarHBondContact O-CG 3.16Å; L397-R401 PolarHBondContact O-N 3.23Å
398R87.2Confident87.3Confident165 Ų16578.8 Ų78.862%0.62337%0.37SS*.Hα-helixtrans-65.1-42.9175.3-72.1170-176.7-176.93.3111.1S394 E395 R401 Q402S394-R398 VanDerWaalsContact O-CG 3.31Å; S394-R398 WeakPolarHBondContact O-CG 3.3Å; S394-R398 PolarHBondContact O-N 3.21Å; S394-R398 VanDerWaalsContact O-N 3.08Å; E395-R398 WeakPolarHBondContact O-CB 3.3Å; E395-R398 PolarHBondContact O-N 3.38Å; R398-R401 PolarHBondContact O-N 2.85Å; R398-Q402 WeakPolarHBondContact O-CG 3.45Å; R398-Q402 PolarHBondContact O-N 3.41Å
399D88.8Confident87.1Confident83 Ų8386.6 Ų86.644%0.44440%0.398SS..Hα-helixtrans-64.4-41.5177.8-70.3-12.2000111.7E395 Q396 R401 Q402 T403E395-D399 PolarHBondContact O-N 3.34Å; Q396-D399 PolarHBondContact O-N 3.45Å; D399-R401 PolarHBondContact O-N 2.82Å; D399-Q402 PolarHBondContact O-N 3.46Å; D399-T403 WeakPolarHBondContact O-CG2 3.32Å; D399-T403 PolarHBondContact O-N 3.11Å; D399-T403 PolarHBondContact O-OG1 3.14Å; D399-T403 VanDerWaalsContact O-OG1 3.05Å
400E87.1Confident86.9Confident69 Ų6991.2 Ų91.232%0.32242%0.421SS..Hα-helixtrans-61.9-43.4174.8-161.1-176.914700111.2I190 R229 Q396 Q402 T403 A404I190-E400 HydrophobicContact CD1-CB 3.95Å; I190-E400 HydrophobicContact CD1-CG 3.66Å; R229-E400 IonicContact CZ-OE2 3.19Å; R229-E400 VanDerWaalsContact CZ-OE2 3.26Å; R229-E400 IonicContact NE-OE2 3.39Å; R229-E400 PolarHBondContact NE-OE2 3.01Å; R229-E400 IonicContact NH2-OE1 3.89Å; R229-E400 PolarHBondContact NH2-OE1 3.05Å; R229-E400 IonicContact NH2-OE2 2.73Å; R229-E400 PolarHBondContact NH2-OE2 3.43Å; Q396-E400 WeakPolarHBondContact O-CB 3.46Å; Q396-E400 PolarHBondContact O-N 2.99Å; E400-Q402 PolarHBondContact O-N 3.42Å; E400-T403 WeakPolarHBondContact CA-OG1 3.17Å; E400-T403 PolarHBondContact O-N 3.26Å; E400-T403 PolarHBondContact O-OG1 2.63Å; E400-A404 WeakPolarHBondContact O-CB 3.47Å; E400-A404 PolarHBondContact O-N 3.12Å
401R86.7Confident86.5Confident57 Ų5795.4 Ų95.422%0.21544%0.441CS..Hα-helixtrans-61.5-42.9173.7-75.9179.7179-176.7-0.8111.9I190 E222 L397 R398 D399 M405I190-R401 HydrophobicContact CD1-CB 4.3Å; I190-R401 HydrophobicContact CD1-CG 3.72Å; E222-R401 IonicContact OE1-CZ 3.71Å; E222-R401 VanDerWaalsContact OE1-CZ 3.28Å; E222-R401 IonicContact OE1-NH1 2.6Å; E222-R401 PolarHBondContact OE1-NH1 2.98Å; E222-R401 IonicContact OE1-NH2 3.11Å; E222-R401 PolarHBondContact OE1-NH2 3.01Å; L397-R401 WeakPolarHBondContact O-CG 3.16Å; L397-R401 PolarHBondContact O-N 3.23Å; R398-R401 PolarHBondContact O-N 2.85Å; D399-R401 PolarHBondContact O-N 2.82Å; R401-M405 WeakPolarHBondContact O-CB 3.32Å; R401-M405 VanDerWaalsContact O-CG 3.23Å; R401-M405 WeakPolarHBondContact O-CG 3.43Å; R401-M405 PolarHBondContact O-N 3.4Å
402Q88Confident86.3Confident132 Ų13292.3 Ų92.362%0.61743%0.434SS*.Hα-helixtrans-65.3-42.1178.6-73-17821.800112.3R398 D399 E400 M405 R406R398-Q402 WeakPolarHBondContact O-CG 3.45Å; R398-Q402 PolarHBondContact O-N 3.41Å; D399-Q402 PolarHBondContact O-N 3.46Å; E400-Q402 PolarHBondContact O-N 3.42Å; Q402-M405 PolarHBondContact O-N 2.84Å; Q402-R406 WeakPolarHBondContact O-CB 3.33Å; Q402-R406 PolarHBondContact O-N 3.43Å
403T89.4Confident86Confident90 Ų9089 Ų8955%0.55243%0.431SS*.Hα-helixtrans-66.8-42.2177.752.80000111.8D399 E400 R406 H407D399-T403 WeakPolarHBondContact O-CG2 3.32Å; D399-T403 PolarHBondContact O-N 3.11Å; D399-T403 PolarHBondContact O-OG1 3.14Å; D399-T403 VanDerWaalsContact O-OG1 3.05Å; E400-T403 WeakPolarHBondContact CA-OG1 3.17Å; E400-T403 PolarHBondContact O-N 3.26Å; E400-T403 PolarHBondContact O-OG1 2.63Å; T403-R406 PolarHBondContact O-N 2.84Å; T403-H407 PolarHBondContact O-N 3.1Å
404A86.5Confident85.6Confident37 Ų3792.5 Ų92.531%0.30645%0.452SS..Hα-helixtrans-61-45.2174.200000112.3I190 E400 R406 H407 Q408I190-A404 HydrophobicContact CD1-CB 4.31Å; E400-A404 WeakPolarHBondContact O-CB 3.47Å; E400-A404 PolarHBondContact O-N 3.12Å; A404-R406 VanDerWaalsContact C-N 3.32Å; A404-R406 PolarHBondContact O-N 3Å; A404-H407 WeakPolarHBondContact O-CB 3.25Å; A404-H407 PolarHBondContact O-N 3.09Å; A404-Q408 PolarHBondContact O-N 3.29Å
405M86Confident84.6Confident83 Ų8395.2 Ų95.241%0.40946%0.464SS..Hα-helixtrans-62.4-38.8176.1-74.5-67-68.800112.3R401 Q402 R409R401-M405 WeakPolarHBondContact O-CB 3.32Å; R401-M405 VanDerWaalsContact O-CG 3.23Å; R401-M405 WeakPolarHBondContact O-CG 3.43Å; R401-M405 PolarHBondContact O-N 3.4Å; Q402-M405 PolarHBondContact O-N 2.84Å; M405-R409 WeakPolarHBondContact O-CG 3.45Å; M405-R409 PolarHBondContact O-N 3.43Å; M405-R409 VanDerWaalsContact O-N 3.1Å
406R88.5Confident83.4Confident178 Ų17895 Ų9567%0.67247%0.466SS*.Hα-helixtrans-64.7-43.5174.8-176.5-179.4174.5178.9-0.7111.3Q402 T403 A404 R409 M410Q402-R406 WeakPolarHBondContact O-CB 3.33Å; Q402-R406 PolarHBondContact O-N 3.43Å; T403-R406 PolarHBondContact O-N 2.84Å; A404-R406 VanDerWaalsContact C-N 3.32Å; A404-R406 PolarHBondContact O-N 3Å; R406-R409 PolarHBondContact O-N 3.42Å; R406-M410 HydrophobicContact CG-CE 4.25Å; R406-M410 WeakPolarHBondContact O-CG 3.17Å; R406-M410 PolarHBondContact O-N 2.92Å; R406-M410 VanDerWaalsContact O-N 3.1Å
407H86.3Confident82Confident103 Ų10392.9 Ų92.948%0.47746%0.463SS..Hα-helixtrans-59.4-49.8176.6-167.8-86.6000111.4T403 A404 R409 M410 E411T403-H407 PolarHBondContact O-N 3.1Å; A404-H407 WeakPolarHBondContact O-CB 3.25Å; A404-H407 PolarHBondContact O-N 3.09Å; H407-R409 VanDerWaalsContact C-N 3.29Å; H407-R409 PolarHBondContact O-N 2.92Å; H407-M410 PolarHBondContact O-N 2.95Å; H407-E411 IonicContact CE1-OE1 2.8Å; H407-E411 PolarHBondContact CE1-OE1 3.01Å; H407-E411 IonicContact CE1-OE2 2.88Å; H407-E411 IonicContact ND1-OE1 3.68Å; H407-E411 PolarHBondContact ND1-OE1 2.9Å; H407-E411 IonicContact ND1-OE2 4Å; H407-E411 PolarHBondContact ND1-OE2 2.91Å; H407-E411 PolarHBondContact O-N 3.39Å
408Q84Confident80.7Confident118 Ų11897.3 Ų97.355%0.55149%0.487SS*.Hα-helixtrans-58.7-39.5178.6-171.5-176.431.700112.5A404 A412A404-Q408 PolarHBondContact O-N 3.29Å; Q408-A412 VanDerWaalsContact O-CB 3.29Å; Q408-A412 WeakPolarHBondContact O-CB 3.26Å; Q408-A412 PolarHBondContact O-N 3.31Å
409R85.6Confident79.1Confident182 Ų18298.1 Ų98.169%0.68749%0.49SS*.Hα-helixtrans-65.8-37.2175.6-74.9176.9179.4-175.10.8112.6M405 R406 H407 A413M405-R409 WeakPolarHBondContact O-CG 3.45Å; M405-R409 PolarHBondContact O-N 3.43Å; M405-R409 VanDerWaalsContact O-N 3.1Å; R406-R409 PolarHBondContact O-N 3.42Å; H407-R409 VanDerWaalsContact C-N 3.29Å; H407-R409 PolarHBondContact O-N 2.92Å; R409-A413 WeakPolarHBondContact O-CB 3.23Å; R409-A413 PolarHBondContact O-N 2.79Å
410M84.6Confident77.5Confident101 Ų10198.8 Ų98.850%0.49850%0.501SS..Hα-helixtrans-68.6-44.7176.4-69.7-174.1-60.600111.1R406 H407 A412 A413 T414R406-M410 HydrophobicContact CG-CE 4.25Å; R406-M410 WeakPolarHBondContact O-CG 3.17Å; R406-M410 PolarHBondContact O-N 2.92Å; R406-M410 VanDerWaalsContact O-N 3.1Å; H407-M410 PolarHBondContact O-N 2.95Å; M410-A412 PolarHBondContact O-N 3.34Å; M410-A413 WeakPolarHBondContact O-CB 3.34Å; M410-A413 PolarHBondContact O-N 3.18Å; M410-T414 PolarHBondContact O-N 2.77Å; M410-T414 PolarHBondContact O-OG1 3.34Å
411E80.7Confident76Confident95 Ų9599.5 Ų99.544%0.44451%0.514SS..Hα-helixtrans-60.8-43.9175.2-70.717713500112.1H407 A413 T414 D415H407-E411 IonicContact CE1-OE1 2.8Å; H407-E411 PolarHBondContact CE1-OE1 3.01Å; H407-E411 IonicContact CE1-OE2 2.88Å; H407-E411 IonicContact ND1-OE1 3.68Å; H407-E411 PolarHBondContact ND1-OE1 2.9Å; H407-E411 IonicContact ND1-OE2 4Å; H407-E411 PolarHBondContact ND1-OE2 2.91Å; H407-E411 PolarHBondContact O-N 3.39Å; E411-A413 VanDerWaalsContact C-N 3.28Å; E411-A413 PolarHBondContact O-N 3.01Å; E411-T414 VanDerWaalsContact CA-OG1 3.28Å; E411-T414 WeakPolarHBondContact CA-OG1 3.5Å; E411-T414 PolarHBondContact O-N 3.35Å; E411-T414 PolarHBondContact O-OG1 2.81Å; E411-D415 WeakPolarHBondContact O-CB 3.38Å; E411-D415 PolarHBondContact O-N 2.78Å
412A80.5Confident74.2Confident45 Ų45104.4 Ų104.437%0.37254%0.537SS..Hα-helixtrans-65.2-32.5176.300000112.5Q408 M410 N416Q408-A412 VanDerWaalsContact O-CB 3.29Å; Q408-A412 WeakPolarHBondContact O-CB 3.26Å; Q408-A412 PolarHBondContact O-N 3.31Å; M410-A412 PolarHBondContact O-N 3.34Å; A412-N416 VanDerWaalsContact O-CB 3.3Å; A412-N416 WeakPolarHBondContact O-CB 3.34Å; A412-N416 VanDerWaalsContact O-CG 3.3Å; A412-N416 PolarHBondContact O-N 3.22Å; A412-N416 PolarHBondContact O-ND2 2.88Å
413A81.2Confident72.3Confident61 Ų61105.5 Ų105.550%0.50455%0.546SS..Hα-helixtrans-70.6-41.7174.800000111.7R409 M410 E411 S417R409-A413 WeakPolarHBondContact O-CB 3.23Å; R409-A413 PolarHBondContact O-N 2.79Å; M410-A413 WeakPolarHBondContact O-CB 3.34Å; M410-A413 PolarHBondContact O-N 3.18Å; E411-A413 VanDerWaalsContact C-N 3.28Å; E411-A413 PolarHBondContact O-N 3.01Å; A413-S417 PolarHBondContact O-N 2.96Å
414T77Confident70.4Confident75 Ų75106.7 Ų106.746%0.4656%0.555SS.*Hα-helixtrans-64.4-45.717443.80000111.5M410 E411 N416 S417 D418M410-T414 PolarHBondContact O-N 2.77Å; M410-T414 PolarHBondContact O-OG1 3.34Å; E411-T414 VanDerWaalsContact CA-OG1 3.28Å; E411-T414 WeakPolarHBondContact CA-OG1 3.5Å; E411-T414 PolarHBondContact O-N 3.35Å; E411-T414 PolarHBondContact O-OG1 2.81Å; T414-N416 PolarHBondContact O-N 3.48Å; T414-S417 PolarHBondContact O-N 3.48Å; T414-S417 VanDerWaalsContact O-N 3.14Å; T414-S417 PolarHBondContact O-OG 3.08Å; T414-D418 PolarHBondContact O-N 3.29Å
415D66.2Low68.8Low91 Ų91113 Ų11349%0.48758%0.579SS.*Hα-helixtrans-62.6-40178.2-81.2-4.3000112.4E411 S417 D418 R419E411-D415 WeakPolarHBondContact O-CB 3.38Å; E411-D415 PolarHBondContact O-N 2.78Å; D415-S417 VanDerWaalsContact C-N 3.34Å; D415-D418 PolarHBondContact O-N 3.42Å; D415-R419 WeakPolarHBondContact O-CB 3.47Å; D415-R419 WeakPolarHBondContact O-CG 3.46Å; D415-R419 PolarHBondContact O-N 2.81Å
416N63.3Low67.2Low109 Ų109116.1 Ų116.158%0.58360%0.596SS**Hα-helixtrans-67.5-36175.9-81.3-29.1000111.9A412 T414 S420A412-N416 VanDerWaalsContact O-CB 3.3Å; A412-N416 WeakPolarHBondContact O-CB 3.34Å; A412-N416 VanDerWaalsContact O-CG 3.3Å; A412-N416 PolarHBondContact O-N 3.22Å; A412-N416 PolarHBondContact O-ND2 2.88Å; T414-N416 PolarHBondContact O-N 3.48Å; N416-S420 WeakPolarHBondContact O-CB 3.08Å; N416-S420 PolarHBondContact O-N 2.96Å; N416-S420 PolarHBondContact O-OG 2.6Å
417S59.3Low65.7Low64 Ų64113.3 Ų113.345%0.44860%0.598SS.*Hα-helixtrans-65.1-43.4174.7740000111.7A413 T414 D415 S420 S421A413-S417 PolarHBondContact O-N 2.96Å; T414-S417 PolarHBondContact O-N 3.48Å; T414-S417 VanDerWaalsContact O-N 3.14Å; T414-S417 PolarHBondContact O-OG 3.08Å; D415-S417 VanDerWaalsContact C-N 3.34Å; S417-S420 PolarHBondContact O-N 3.09Å; S417-S420 PolarHBondContact O-OG 2.85Å; S417-S421 PolarHBondContact O-N 3.26Å
418D57.5Low64.1Low105 Ų105116.7 Ų116.756%0.56161%0.611SS**Hα-helixtrans-68.1-38.9177.4-84.7-18.4000112.5T414 D415 S421 K422T414-D418 PolarHBondContact O-N 3.29Å; D415-D418 PolarHBondContact O-N 3.42Å; D418-S421 PolarHBondContact O-OG 3.37Å; D418-K422 PolarHBondContact O-N 3.3Å
419R53.8Low62.8Low183 Ų183114.9 Ų114.969%0.69161%0.61SS**Hα-helixtrans-71.4-36.4176.7-75-178.6-179.7-168.82.4113.2D415 S421 K422D415-R419 WeakPolarHBondContact O-CB 3.47Å; D415-R419 WeakPolarHBondContact O-CG 3.46Å; D415-R419 PolarHBondContact O-N 2.81Å; R419-S421 PolarHBondContact O-N 2.72Å; R419-K422 CarbonylContact O-C 3.57Å; R419-K422 VanDerWaalsContact O-C 3.24Å; R419-K422 PolarHBondContact O-N 3.33Å; R419-K422 VanDerWaalsContact O-N 3.08Å
420S55Low62.1Low96 Ų96111.4 Ų111.467%0.67161%0.609SS**Hα-helixtrans-63.9-27.2178.672.70000112.7N416 S417N416-S420 WeakPolarHBondContact O-CB 3.08Å; N416-S420 PolarHBondContact O-N 2.96Å; N416-S420 PolarHBondContact O-OG 2.6Å; S417-S420 PolarHBondContact O-N 3.09Å; S417-S420 PolarHBondContact O-OG 2.85Å
421S55.8Low61.4Low85 Ų85109.5 Ų109.559%0.59461%0.609SS**THydrogen-bonded Turntrans-86.6-9.9175.865.20000113.9S417 D418 R419S417-S421 PolarHBondContact O-N 3.26Å; D418-S421 PolarHBondContact O-OG 3.37Å; R419-S421 PolarHBondContact O-N 2.72Å
422K48.9Very low61Low159 Ų159109 Ų10969%0.69161%0.609SS**  trans-133.481178.6-65.5179.1-175169.60109.8D418 R419D418-K422 PolarHBondContact O-N 3.3Å; R419-K422 CarbonylContact O-C 3.57Å; R419-K422 VanDerWaalsContact O-C 3.24Å; R419-K422 PolarHBondContact O-N 3.33Å; R419-K422 VanDerWaalsContact O-N 3.08Å
423L48.3Very low60.4Low155 Ų155113 Ų11381%0.81261%0.614SS**  trans-49.7127148.8-86.3120.1000105.9E425L423-E425 PolarHBondContact O-N 2.9Å
424P49.9Very low60.2Low115 Ų115115.5 Ų115.575%0.74763%0.628SS**  trans-64.296.5174.826.6-30.1000105I426P424-I426 PolarHBondContact O-N 3.2Å
425E53.4Low60.2Low170 Ų170114.6 Ų114.679%0.79463%0.633SS**  trans-50115.6160.3-151.5178.4-162.700103L423 V427L423-E425 PolarHBondContact O-N 2.9Å; E425-V427 VanDerWaalsContact O-CG2 3.32Å; E425-V427 WeakPolarHBondContact O-CG2 3.06Å; E425-V427 PolarHBondContact O-N 2.88Å
426I50.9Low60.4Low149 Ų149117 Ų11776%0.76465%0.651SS**  trans-56.499177.5-66.2164000103.4P424 K428P424-I426 PolarHBondContact O-N 3.2Å; I426-K428 PolarHBondContact O-N 3.43Å
427V57.5Low60.6Low118 Ų118112.9 Ų112.972%0.71563%0.634SS**  trans-6893.1-177-178.50000103.2E425 P429E425-V427 VanDerWaalsContact O-CG2 3.32Å; E425-V427 WeakPolarHBondContact O-CG2 3.06Å; E425-V427 PolarHBondContact O-N 2.88Å; V427-P429 WeakPolarHBondContact O-CD 3.49Å
428K52.6Low61.4Low174 Ų174114 Ų11476%0.75763%0.631SS**PPolyproline II helixtrans-52.2120.5173-72-179.2-179.5175.60104.1I426 V430I426-K428 PolarHBondContact O-N 3.43Å; K428-V430 PolarHBondContact O-N 2.55Å
429P57.5Low62.2Low81 Ų81114.6 Ų114.653%0.52663%0.626SS.*PPolyproline II helixtrans-56.1119.8-175.622.3-32.8000107.2V427 A431 Y439V427-P429 WeakPolarHBondContact O-CD 3.49Å; P429-A431 PolarHBondContact O-N 3.22Å; P429-A431 VanDerWaalsContact O-N 3.12Å; P429-Y439 HydrophobicContact CB-CD1 3.61Å; P429-Y439 HydrophobicContact CB-CE1 3.7Å; P429-Y439 HydrophobicContact CB-CG 4.27Å; P429-Y439 HydrophobicContact CG-CD1 4.08Å; P429-Y439 HydrophobicContact CG-CE1 3.68Å; P429-Y439 VanDerWaalsContact O-CE1 3.24Å; P429-Y439 WeakPolarHBondContact O-CE1 3.44Å
430V70.3Confident63.2Low109 Ų109110.8 Ų110.866%0.66162%0.618SS**PPolyproline II helixtrans-64.3117.8-175.3178.10000106.9K428 L432K428-V430 PolarHBondContact O-N 2.55Å; V430-L432 PolarHBondContact O-N 2.76Å; V430-L432 VanDerWaalsContact O-N 3.1Å
431A69Low64.1Low61 Ų61110.4 Ų110.450%0.50461%0.609SS.*  trans-70.6107.4175.100000108.2P429 R433 K438 Y439P429-A431 PolarHBondContact O-N 3.22Å; P429-A431 VanDerWaalsContact O-N 3.12Å; A431-R433 VanDerWaalsContact C-N 3.27Å; A431-R433 PolarHBondContact O-N 3.16Å; A431-K438 HydrophobicContact CB-CD 4.35Å; A431-Y439 HydrophobicContact CB-CE1 4.35Å
432L72.9Confident64.7Low84 Ų84110.1 Ų110.144%0.4460%0.6SS.*  trans-75.3-17.1179.7-73.1146.7000112.2V430 K438 D441V430-L432 PolarHBondContact O-N 2.76Å; V430-L432 VanDerWaalsContact O-N 3.1Å; L432-K438 PolarHBondContact N-O 3.09Å; L432-D441 HydrophobicContact CD1-CB 4.13Å
433R69Low65.6Low129 Ų129110.3 Ų110.349%0.48760%0.601SS.*SBendtrans-165.4167.3-175.850.8-166.9-77-93-3.5113A431 V436 G437 K438A431-R433 VanDerWaalsContact C-N 3.27Å; A431-R433 PolarHBondContact O-N 3.16Å; R433-V436 PolarHBondContact NH1-O 3.48Å; R433-G437 PolarHBondContact NH1-O 2.77Å; R433-G437 VanDerWaalsContact NH1-O 3.11Å; R433-K438 WeakPolarHBondContact O-CB 3.16Å
434S76.8Confident66.2Low113 Ų113106.9 Ų106.979%0.7959%0.588SS**SBendtrans-83.4149.1170.457.20000111.7
435G76.1Confident66.7Low56 Ų56106.7 Ų106.758%0.57758%0.58SS**SBendtrans90.3-167.3176.300000115.8G437 K438G435-G437 PolarHBondContact O-N 2.76Å; G435-K438 PolarHBondContact O-N 2.88Å
436V71.3Confident66.7Low142 Ų142107.6 Ų107.686%0.86158%0.576SS**THydrogen-bonded Turntrans-64.6130.2-179.1-1780000110R433R433-V436 PolarHBondContact NH1-O 3.48Å
437G67.4Low66.7Low22 Ų22109.2 Ų109.223%0.22758%0.578CS.*THydrogen-bonded Turntrans83.130.4-176.900000114.6R433 G435 Y439 I440R433-G437 PolarHBondContact NH1-O 2.77Å; R433-G437 VanDerWaalsContact NH1-O 3.11Å; G435-G437 PolarHBondContact O-N 2.76Å; G437-Y439 PolarHBondContact O-N 3.42Å; G437-I440 PolarHBondContact O-N 2.83Å
438K74.6Confident66.2Low87 Ų87114 Ų11438%0.37858%0.583SS.*THydrogen-bonded Turntrans-63.3-16.5177.657.9172.6166.7166.20116A431 L432 R433 G435A431-K438 HydrophobicContact CB-CD 4.35Å; L432-K438 PolarHBondContact N-O 3.09Å; R433-K438 WeakPolarHBondContact O-CB 3.16Å; G435-K438 PolarHBondContact O-N 2.88Å
439Y76.1Confident65.9Low118 Ų118111 Ų11146%0.46358%0.579SS.*THydrogen-bonded Turntrans-108.86.7-177.4-53.6-60.1000113.8P429 A431 G437P429-Y439 HydrophobicContact CB-CD1 3.61Å; P429-Y439 HydrophobicContact CB-CE1 3.7Å; P429-Y439 HydrophobicContact CB-CG 4.27Å; P429-Y439 HydrophobicContact CG-CD1 4.08Å; P429-Y439 HydrophobicContact CG-CE1 3.68Å; P429-Y439 VanDerWaalsContact O-CE1 3.24Å; P429-Y439 WeakPolarHBondContact O-CE1 3.44Å; A431-Y439 HydrophobicContact CB-CE1 4.35Å; G437-Y439 PolarHBondContact O-N 3.42Å
440I74.7Confident65.2Low103 Ų103114.5 Ų114.553%0.52859%0.593SS.*  trans-100.9119.2-175.6-57.4170.9000108.9G437 I442G437-I440 PolarHBondContact O-N 2.83Å; I440-I442 HydrophobicContact CG2-CG1 4.08Å; I440-I442 PolarHBondContact O-N 3.1Å
441D72.7Confident63.9Low88 Ų88112.3 Ų112.347%0.47158%0.582SS.*  trans-86103.2179.1-127.7-16.2000110.6L432 P444L432-D441 HydrophobicContact CD1-CB 4.13Å; D441-P444 WeakPolarHBondContact O-CD 3.32Å
442I68.6Low62.6Low80 Ų80114.7 Ų114.741%0.4160%0.595SS.*  trans-91.3-5.5-176.3-56.3171.4000111.8I440 L445 R446I440-I442 HydrophobicContact CG2-CG1 4.08Å; I440-I442 PolarHBondContact O-N 3.1Å; I442-L445 HydrophobicContact CB-CD1 4.38Å; I442-L445 HydrophobicContact CG1-CD1 4.32Å; I442-L445 HydrophobicContact CG2-CB 3.85Å; I442-L445 HydrophobicContact CG2-CD1 4.06Å; I442-L445 WeakPolarHBondContact O-CA 3.3Å; I442-L445 WeakPolarHBondContact O-CB 3.22Å; I442-L445 PolarHBondContact O-N 3.17Å; I442-R446 PolarHBondContact O-N 2.99Å; I442-R446 VanDerWaalsContact O-N 3.1Å
443K68.3Low61.4Low162 Ų162118.8 Ų118.870%0.70461%0.612SS**Hα-helixtrans-52.4-44.8174.5-71-177179.9176.60113.9L445 R446 K447K443-L445 VanDerWaalsContact C-N 3.31Å; K443-L445 PolarHBondContact O-N 3.03Å; K443-R446 PolarHBondContact O-N 3.49Å; K443-K447 PolarHBondContact O-N 3.29Å
444P61.2Low60.2Low84 Ų84119 Ų11955%0.54562%0.619SS.*Hα-helixtrans-67.9-27.7174.923.8-32.9000113.4D441 K447D441-P444 WeakPolarHBondContact O-CD 3.32Å; P444-K447 PolarHBondContact O-N 3.49Å
445L59.5Low58.5Low110 Ų110119.4 Ų119.458%0.57661%0.612SS**Hα-helixtrans-68.4-35.2175-79.6151.9000111.9I442 K443 R448I442-L445 HydrophobicContact CB-CD1 4.38Å; I442-L445 HydrophobicContact CG1-CD1 4.32Å; I442-L445 HydrophobicContact CG2-CB 3.85Å; I442-L445 HydrophobicContact CG2-CD1 4.06Å; I442-L445 WeakPolarHBondContact O-CA 3.3Å; I442-L445 WeakPolarHBondContact O-CB 3.22Å; I442-L445 PolarHBondContact O-N 3.17Å; K443-L445 VanDerWaalsContact C-N 3.31Å; K443-L445 PolarHBondContact O-N 3.03Å; L445-R448 PolarHBondContact O-N 2.99Å
446R54Low56.8Low189 Ų189122.7 Ų122.771%0.71361%0.612SS**Hα-helixtrans-73.1-27.2175.8-80.7-171.6176.6-179.2-1.2114.2I442 K443 R448 T449I442-R446 PolarHBondContact O-N 2.99Å; I442-R446 VanDerWaalsContact O-N 3.1Å; K443-R446 PolarHBondContact O-N 3.49Å; R446-R448 PolarHBondContact O-N 3.41Å; R446-T449 PolarHBondContact O-N 2.91Å; R446-T449 PolarHBondContact O-OG1 2.79Å
447K51.1Low55.6Low184 Ų184121.5 Ų121.580%0.860%0.601SS**Hα-helixtrans-66.2-22.3175.8-84.5-169.6175.7-174.80112.7K443 P444K443-K447 PolarHBondContact O-N 3.29Å; P444-K447 PolarHBondContact O-N 3.49Å
448R46.9Very low54.6Low219 Ų219125.2 Ų125.283%0.82662%0.615SS**THydrogen-bonded Turntrans-80.6-10.4175.7-80.5-176.5164.9163.8-3.7114.5L445 R446L445-R448 PolarHBondContact O-N 2.99Å; R446-R448 PolarHBondContact O-N 3.41Å
449T46.3Very low53.1Low111 Ų111128.6 Ų128.668%0.68163%0.632SS**THydrogen-bonded Turntrans-107.314.2-178.239.70000114.4R446R446-T449 PolarHBondContact O-N 2.91Å; R446-T449 PolarHBondContact O-OG1 2.79Å
450L42.9Very low51.5Low154 Ų154131.6 Ų131.681%0.80664%0.642SS**  trans-126.127.6179.1-72.5171.7000114.2
451S42.1Very low49.9Very low63 Ų63131.2 Ų131.244%0.44165%0.649SS.*  trans-108.984.6160.851.20000108.5E453S451-E453 PolarHBondContact O-N 3.08Å
452S42.6Very low48.4Very low111 Ų111133.7 Ų133.778%0.77666%0.661SS**THydrogen-bonded Turntrans-68.729.2175.952.40000113.8
453E46.1Very low46.8Very low169 Ų169140.3 Ų140.379%0.7968%0.681SS**THydrogen-bonded Turntrans-119.2-12.6178.5-67.5-173.6172.600112.8S451S451-E453 PolarHBondContact O-N 3.08Å
454E44.4Very low45.3Very low135 Ų135141.3 Ų141.363%0.63169%0.685SS**SBendtrans-95.7-11.4179.3-65.2-173.5170.300114E456 D457E454-E456 VanDerWaalsContact C-N 3.31Å; E454-E456 PolarHBondContact O-N 2.95Å; E454-D457 PolarHBondContact O-N 3.5Å
455D41.5Very low44Very low121 Ų121148.4 Ų148.465%0.64770%0.701SS**Hα-helixtrans-72.6-19.7178.9-79-33.8000113.5
456E41.5Very low42.8Very low124 Ų124150.4 Ų150.458%0.57971%0.712SS**Hα-helixtrans-72.6-32.5173.5-84.9-102157.300112.3E454 R460E454-E456 VanDerWaalsContact C-N 3.31Å; E454-E456 PolarHBondContact O-N 2.95Å; E456-R460 PolarHBondContact O-N 2.93Å; E456-R460 IonicContact OE2-CZ 2.74Å; E456-R460 IonicContact OE2-NE 2.68Å; E456-R460 IonicContact OE2-NH2 2.9Å; E456-R460 PolarHBondContact OE2-NH2 3.49Å
457D46.1Very low42.1Very low118 Ų118148.6 Ų148.663%0.63172%0.715SS**Hα-helixtrans-83.1-28.4-175.4-80.9-18000113E454 S461E454-D457 PolarHBondContact O-N 3.5Å; D457-S461 PolarHBondContact O-N 2.89Å; D457-S461 PolarHBondContact O-OG 3.29Å
458I46.1Very low41.5Very low99 Ų99144.8 Ų144.851%0.50871%0.712SS.*Hα-helixtrans-75.5-34.5176-57.7177.6000110.8S461 L462I458-S461 PolarHBondContact O-N 2.98Å; I458-S461 PolarHBondContact O-OG 3Å; I458-S461 VanDerWaalsContact O-OG 3.13Å; I458-L462 HydrophobicContact CG2-CD1 4.4Å
459Q41.4Very low41Very low159 Ų159138.1 Ų138.174%0.74371%0.712SS**Hα-helixtrans-73.5-27176.8-72.7-150.6-6.400113.9
460R42.8Very low40.6Very low181 Ų181138.1 Ų138.168%0.68372%0.716SS**Hα-helixtrans-74.8-29.6174.4-71.9-177.7-169.8-168.18.4112.9E456E456-R460 PolarHBondContact O-N 2.93Å; E456-R460 IonicContact OE2-CZ 2.74Å; E456-R460 IonicContact OE2-NE 2.68Å; E456-R460 IonicContact OE2-NH2 2.9Å; E456-R460 PolarHBondContact OE2-NH2 3.49Å
461S42.6Very low40.5Very low94 Ų94136.8 Ų136.866%0.65772%0.715SS**Hα-helixtrans-80.8-12.4-179.757.50000114.6D457 I458D457-S461 PolarHBondContact O-N 2.89Å; D457-S461 PolarHBondContact O-OG 3.29Å; I458-S461 PolarHBondContact O-N 2.98Å; I458-S461 PolarHBondContact O-OG 3Å; I458-S461 VanDerWaalsContact O-OG 3.13Å
462L39.8Very low40.5Very low141 Ų141143.2 Ų143.274%0.73874%0.735SS**THydrogen-bonded Turntrans-88.14.2177.1-79.3165.4000115I458 K464I458-L462 HydrophobicContact CG2-CD1 4.4Å; L462-K464 PolarHBondContact O-N 3.21Å
463R36.3Very low40.7Very low219 Ų219146.4 Ų146.483%0.82674%0.735SS**SBendtrans-93.7102171.9-77.2-174.7175.4-179.61112.1
464K36.5Very low40.8Very low182 Ų182145.6 Ų145.679%0.79174%0.736SS**  trans64.180.4152.2-61.4-178.2178.9178.90116.6L462L462-K464 PolarHBondContact O-N 3.21Å
465R34.4Very low41.3Very low233 Ų233146.5 Ų146.588%0.87974%0.738SS**  trans-10596.7139.8-79.4-176.9168.5154-2108.1I467R465-I467 VanDerWaalsContact C-N 3.29Å; R465-I467 PolarHBondContact O-N 2.57Å
466N33.4Very low41.8Very low152 Ų152147.7 Ų147.781%0.81374%0.744SS**  trans-61.392.4166.6-75.4-15000107.8S468N466-S468 PolarHBondContact O-N 2.83Å
467I40.2Very low42Very low151 Ų151148.9 Ų148.977%0.77476%0.76SS**  trans-87.497.5169.1-61.1171.4000105.5R465 G469R465-I467 VanDerWaalsContact C-N 3.29Å; R465-I467 PolarHBondContact O-N 2.57Å; I467-G469 PolarHBondContact O-N 2.96Å
468S37.6Very low41.8Very low104 Ų104157.4 Ų157.473%0.72778%0.783SS**  trans-47.2131.5167.150.40000110N466 S470N466-S468 PolarHBondContact O-N 2.83Å; S468-S470 PolarHBondContact O-N 3.38Å
469G37.1Very low41.6Very low80 Ų80160.3 Ų160.383%0.82580%0.797SS**  trans-52.2109.4-175.800000112.8I467I467-G469 PolarHBondContact O-N 2.96Å
470S37.9Very low41.6Very low110 Ų110160.4 Ų160.477%0.76980%0.8SS**  trans-96.8100.9162.9174.60000107.1S468 F472S468-S470 PolarHBondContact O-N 3.38Å; S470-F472 PolarHBondContact O-N 3.37Å
471T40.2Very low41.5Very low127 Ų127159.2 Ų159.278%0.77981%0.806SS**PPolyproline II helixtrans-51.8129.7177.1-25.50000110.9K473T471-K473 PolarHBondContact O-N 2.98Å
472F43.1Very low41.5Very low197 Ų197163.1 Ų163.186%0.86482%0.815SS**PPolyproline II helixtrans-53.5119.8178.1-137.6-102.7000109.9S470S470-F472 PolarHBondContact O-N 3.37Å
473K46.2Very low41.6Very low178 Ų178164.4 Ų164.477%0.77482%0.82SS**PPolyproline II helixtrans-74.8130.5-177.7-77.7-179.6175.61780110.8T471T471-K473 PolarHBondContact O-N 2.98Å
474N48.2Very low41.9Very low152 Ų152160.8 Ų160.881%0.81382%0.82SS**PPolyproline II helixtrans-57.1138.5174.1-99.6-34.4000112.6
475F55.2Low42.3Very low154 Ų154159.3 Ų159.368%0.67582%0.822SS**  trans-98.518-174.6-88.8-88.9000114.8V477F475-V477 PolarHBondContact O-N 3.34Å
476N51.3Low43Very low146 Ų146153.6 Ų153.678%0.78182%0.817SS**THydrogen-bonded Turntrans-78.623.4-170.5-77.1-5.4000116.1
477V45.6Very low43.7Very low149 Ų149153.8 Ų153.890%0.90382%0.817SS**THydrogen-bonded Turntrans-136.537.3174.3-158.80000111.7F475F475-V477 PolarHBondContact O-N 3.34Å
478W42.4Very low44.1Very low297 Ų297154 Ų154100%1.12582%0.821SS**  trans-107.70164.4-149.45.4000112.1

Retrieved 478 of 478 residues in 582.3 ms (Link to these results)

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