A0A3Q0KTI1_SCHMA Loading...

Tudor domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KTI1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 214 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
1M81.7Confident88.2Confident199 Ų19956.2 Ų56.298%0.9829%0.29SS*.  01490-160.7168.8-169.400108.3L27M1-L27 HydrophobicContact CE-CD2 4.26Å
2W85.7Confident88.5Confident48 Ų4856.6 Ų56.618%0.18229%0.285CS..  trans-83.9148.4174.8-69.7112.3000110.8D6 C8 I22 I25 S45 L48 K50W2-D6 HydrophobicContact CE3-CB 3.93Å; W2-D6 HydrophobicContact CZ3-CB 4.3Å; W2-C8 HydrophobicContact CE3-CB 4.42Å; W2-C8 HydrophobicContact CH2-CB 3.49Å; W2-C8 VanDerWaalsContact CH2-CB 3.49Å; W2-C8 HydrophobicContact CZ2-CB 4.2Å; W2-C8 HydrophobicContact CZ3-CB 3.63Å; W2-I22 HydrophobicContact CB-CD1 3.58Å; W2-I22 HydrophobicContact CD2-CD1 3.75Å; W2-I22 HydrophobicContact CE3-CD1 3.58Å; W2-I22 HydrophobicContact CG-CD1 3.79Å; W2-I22 HydrophobicContact CZ3-CD1 4.42Å; W2-I25 WeakPolarHBondContact O-CD1 3.31Å; W2-S45 PolarHBondContact NE1-O 3.07Å; W2-L48 HydrophobicContact CD2-CD1 4.17Å; W2-L48 HydrophobicContact CG-CD1 4.36Å; W2-L48 HydrophobicContact CH2-CB 4.34Å; W2-L48 HydrophobicContact CZ2-CB 3.5Å; W2-L48 VanDerWaalsContact CZ2-CB 3.5Å; W2-L48 HydrophobicContact CZ2-CD1 4.36Å; W2-K50 HydrophobicContact CH2-CB 4.42Å; W2-K50 HydrophobicContact CH2-CG 3.81Å; W2-K50 HydrophobicContact CZ2-CG 3.99Å
3S84Confident88.4Confident63 Ų6364.8 Ų64.844%0.44132%0.322SS..  trans-129.5159.7-179.4-50.30000111.7G5 D6S3-G5 PolarHBondContact O-N 2.96Å; S3-D6 PolarHBondContact N-OD2 3.41Å; S3-D6 VanDerWaalsContact O-CB 3.28Å; S3-D6 WeakPolarHBondContact O-CB 3.5Å; S3-D6 PolarHBondContact O-N 3.2Å; S3-D6 VanDerWaalsContact O-N 3.08Å
4L80.7Confident88.5Confident109 Ų10966.1 Ų66.157%0.57133%0.331SS*.THydrogen-bonded Turntrans-59.6132.7173.3-63.1179.2000110.4D6 I22 E23 I25L4-D6 VanDerWaalsContact C-N 3.3Å; L4-I22 HydrophobicContact CD2-CG2 4.46Å; L4-E23 WeakPolarHBondContact CD2-O 3.33Å; L4-I25 HydrophobicContact CD2-CD1 4.17Å; L4-I25 HydrophobicContact CD2-CG1 3.93Å; L4-I25 HydrophobicContact CG-CD1 4.4Å
5G82Confident88.6Confident8 Ų871.3 Ų71.38%0.08235%0.351CS..THydrogen-bonded Turntrans84.4-6.1-175.700000115S3 I22 Y76S3-G5 PolarHBondContact O-N 2.96Å; G5-I22 PolarHBondContact N-O 2.85Å; G5-Y76 WeakPolarHBondContact O-CD2 3.49Å
6D85.5Confident88.9Confident55 Ų5569.1 Ų69.129%0.29434%0.342SS..  trans-63.9138.7174-77.6-14.2000110.6W2 S3 L4 I21 I22W2-D6 HydrophobicContact CE3-CB 3.93Å; W2-D6 HydrophobicContact CZ3-CB 4.3Å; S3-D6 PolarHBondContact N-OD2 3.41Å; S3-D6 VanDerWaalsContact O-CB 3.28Å; S3-D6 WeakPolarHBondContact O-CB 3.5Å; S3-D6 PolarHBondContact O-N 3.2Å; S3-D6 VanDerWaalsContact O-N 3.08Å; L4-D6 VanDerWaalsContact C-N 3.3Å; D6-I21 WeakPolarHBondContact O-CA 3.22Å; D6-I22 HydrophobicContact CB-CD1 4.18Å; D6-I22 PolarHBondContact O-N 3.28Å
7V91.2Very high89.2Confident31 Ų3168.5 Ų68.519%0.18834%0.336CS..EExtended strand (participates in β ladder)trans-88131.2173.3-167.90000109.2L19 F20 I21 I51 V72 Y76V7-L19 HydrophobicContact CG1-CD2 4.08Å; V7-F20 CarbonylContact C-O 3.55Å; V7-F20 VanDerWaalsContact CA-O 3.31Å; V7-F20 WeakPolarHBondContact CA-O 3.35Å; V7-F20 WeakPolarHBondContact CG1-O 3.23Å; V7-I21 HydrophobicContact CG2-CG1 4.45Å; V7-I51 HydrophobicContact CB-CD1 3.83Å; V7-I51 HydrophobicContact CG1-CD1 3.71Å; V7-V72 HydrophobicContact CG1-CG1 3.76Å; V7-V72 HydrophobicContact CG2-CG1 4.17Å; V7-Y76 HydrophobicContact CG2-CD2 3.7Å; V7-Y76 HydrophobicContact CG2-CE2 4.37Å; V7-Y76 HydrophobicContact CG2-CG 4.24Å
8C93.3Very high89.5Confident0 Ų064.9 Ų64.90%032%0.318CS..EExtended strand (participates in β ladder)trans-133.3164.4-178.862.10000111.5W2 F20 L48W2-C8 HydrophobicContact CE3-CB 4.42Å; W2-C8 HydrophobicContact CH2-CB 3.49Å; W2-C8 VanDerWaalsContact CH2-CB 3.49Å; W2-C8 HydrophobicContact CZ2-CB 4.2Å; W2-C8 HydrophobicContact CZ3-CB 3.63Å; C8-F20 PolarHBondContact N-O 3.08Å; C8-F20 PolarHBondContact O-N 2.96Å; C8-L48 HydrophobicContact CB-CB 4.32Å; C8-L48 HydrophobicContact CB-CD1 4.14Å; C8-L48 HydrophobicContact CB-CD2 4.47Å
9I95.5Very high89.7Confident0 Ų062.3 Ų62.30%031%0.306CS..EExtended strand (participates in β ladder)trans-108.5132.3171.6-65.3167.9000107.7Y17 D18 L19 L49 I51 N55 L59I9-Y17 HydrophobicContact CG2-CD1 3.79Å; I9-Y17 HydrophobicContact CG2-CG 4.42Å; I9-D18 WeakPolarHBondContact CA-O 3.31Å; I9-L19 HydrophobicContact CG1-CD2 3.76Å; I9-L49 HydrophobicContact CB-CB 4.03Å; I9-L49 HydrophobicContact CG2-CB 4.38Å; I9-L49 HydrophobicContact CG2-CD1 4.45Å; I9-L49 PolarHBondContact N-O 3Å; I9-L49 PolarHBondContact O-N 3.14Å; I9-I51 HydrophobicContact CD1-CG1 4.42Å; I9-I51 HydrophobicContact CG1-CG1 4.43Å; I9-N55 HydrophobicContact CD1-CB 3.87Å; I9-L59 HydrophobicContact CD1-CD1 3.98Å; I9-L59 HydrophobicContact CD1-CG 4.32Å; I9-L59 HydrophobicContact CG1-CD1 4.22Å; I9-L59 HydrophobicContact CG1-CD2 4.31Å; I9-L59 HydrophobicContact CG2-CD2 4.07Å
10Y96.1Very high89.9Confident44 Ų4459.2 Ų59.217%0.17329%0.29CS..EExtended strand (participates in β ladder)trans-142.2147.4179.6175.8-110.2000111.5Y17 D18 F20 T41 C43 D47 L48Y10-Y17 WeakPolarHBondContact O-CA 3.48Å; Y10-D18 PolarHBondContact N-O 3.04Å; Y10-D18 VanDerWaalsContact N-O 3.14Å; Y10-D18 PolarHBondContact O-N 3.31Å; Y10-F20 HydrophobicContact CD1-CE2 4.15Å; Y10-F20 HydrophobicContact CD1-CZ 4.31Å; Y10-T41 HydrophobicContact CD1-CG2 4.31Å; Y10-T41 HydrophobicContact CE1-CG2 3.9Å; Y10-C43 HydrophobicContact CD2-CB 4.34Å; Y10-C43 HydrophobicContact CE1-CB 4.26Å; Y10-C43 HydrophobicContact CE2-CB 3.6Å; Y10-D47 HydrophobicContact CD2-CB 4.27Å; Y10-D47 HydrophobicContact CE2-CB 3.92Å; Y10-L48 HydrophobicContact CD2-CD2 4.02Å; Y10-L48 HydrophobicContact CG-CD2 4.17Å
11Q95.1Very high90Very high61 Ų6156.4 Ų56.429%0.28528%0.277SS..EExtended strand (participates in β ladder)trans-86.2120.1177.8-168.1179.949.700110.7K15 Y17Q11-K15 PolarHBondContact NE2-O 3.1Å; Q11-Y17 HydrophobicContact CB-CD1 3.95Å; Q11-Y17 HydrophobicContact CB-CE1 3.67Å; Q11-Y17 HydrophobicContact CB-CE2 4.35Å; Q11-Y17 HydrophobicContact CB-CG 4.42Å; Q11-Y17 HydrophobicContact CG-CD2 4.4Å; Q11-Y17 HydrophobicContact CG-CE1 4.38Å; Q11-Y17 HydrophobicContact CG-CE2 4.17Å
12R90.7Very high90.3Very high61 Ų6146.9 Ų46.923%0.2323%0.23CC..  trans-70.4169.2174.5-68.8175.255-150.5-22.7112D14 K15 V16 D18 F20 Y39R12-D14 WeakPolarHBondContact CB-OD1 3.46Å; R12-D14 IonicContact CZ-OD2 2.76Å; R12-D14 VanDerWaalsContact CZ-OD2 3.29Å; R12-D14 IonicContact NE-OD2 3.09Å; R12-D14 IonicContact NH1-OD2 3.25Å; R12-D14 IonicContact NH2-OD2 2.64Å; R12-D14 PolarHBondContact NH2-OD2 2.84Å; R12-D14 PolarHBondContact O-N 2.76Å; R12-K15 WeakPolarHBondContact O-CA 3.21Å; R12-K15 PolarHBondContact O-N 3.17Å; R12-V16 WeakPolarHBondContact CB-O 3.42Å; R12-V16 PolarHBondContact N-O 2.93Å; R12-D18 HydrophobicContact CG-CB 4.49Å; R12-F20 HydrophobicContact CG-CE2 4.3Å; R12-F20 HydrophobicContact CG-CZ 3.9Å; R12-Y39 HydrophobicContact CG-CD1 4.27Å; R12-Y39 HydrophobicContact CG-CE1 4.11Å
13E88.1Confident90.2Very high164 Ų16446.6 Ų46.677%0.76623%0.231SC*.THydrogen-bonded Turntrans-58.7-32.9178.2-65.7-175.2169.600113.2K15E13-K15 PolarHBondContact O-N 3.24Å
14D89.4Confident90.2Very high83 Ų8349.3 Ų49.344%0.44424%0.236SC..THydrogen-bonded Turntrans-76.58175.763.34.7000113.9R12 V16R12-D14 WeakPolarHBondContact CB-OD1 3.46Å; R12-D14 IonicContact CZ-OD2 2.76Å; R12-D14 VanDerWaalsContact CZ-OD2 3.29Å; R12-D14 IonicContact NE-OD2 3.09Å; R12-D14 IonicContact NH1-OD2 3.25Å; R12-D14 IonicContact NH2-OD2 2.64Å; R12-D14 PolarHBondContact NH2-OD2 2.84Å; R12-D14 PolarHBondContact O-N 2.76Å; D14-V16 PolarHBondContact O-N 3.08Å; D14-V16 WeakPolarHBondContact OD1-CB 3.41Å; D14-V16 PolarHBondContact OD1-N 3.41Å; D14-V16 VanDerWaalsContact OD1-N 3.17Å
15K90.5Very high90.4Very high143 Ų14346.7 Ų46.762%0.62222%0.222SC*.SBendtrans67.713.1179.4-52.5-57.1-177.4-174.20115.1Q11 R12 E13Q11-K15 PolarHBondContact NE2-O 3.1Å; R12-K15 WeakPolarHBondContact O-CA 3.21Å; R12-K15 PolarHBondContact O-N 3.17Å; E13-K15 PolarHBondContact O-N 3.24Å
16V92.5Very high90.5Very high36 Ų3649.3 Ų49.322%0.21824%0.235CC..  trans-90.4138.5172.2-1790000109.9R12 D14 N62R12-V16 WeakPolarHBondContact CB-O 3.42Å; R12-V16 PolarHBondContact N-O 2.93Å; D14-V16 PolarHBondContact O-N 3.08Å; D14-V16 WeakPolarHBondContact OD1-CB 3.41Å; D14-V16 PolarHBondContact OD1-N 3.41Å; D14-V16 VanDerWaalsContact OD1-N 3.17Å; V16-N62 HydrophobicContact CG1-CB 3.56Å
17Y94.8Very high90Very high59 Ų5953.3 Ų53.323%0.23126%0.255CS..EExtended strand (participates in β ladder)trans-85.8140.4173-73.7-91.6000110.4I9 Y10 Q11 L49 L58 N62I9-Y17 HydrophobicContact CG2-CD1 3.79Å; I9-Y17 HydrophobicContact CG2-CG 4.42Å; Y10-Y17 WeakPolarHBondContact O-CA 3.48Å; Q11-Y17 HydrophobicContact CB-CD1 3.95Å; Q11-Y17 HydrophobicContact CB-CE1 3.67Å; Q11-Y17 HydrophobicContact CB-CE2 4.35Å; Q11-Y17 HydrophobicContact CB-CG 4.42Å; Q11-Y17 HydrophobicContact CG-CD2 4.4Å; Q11-Y17 HydrophobicContact CG-CE1 4.38Å; Q11-Y17 HydrophobicContact CG-CE2 4.17Å; Y17-L49 HydrophobicContact CD1-CD1 4.37Å; Y17-L49 HydrophobicContact CE1-CD1 3.8Å; Y17-L58 HydrophobicContact CD1-CB 4.41Å; Y17-L58 HydrophobicContact CD1-CD1 4.15Å; Y17-L58 HydrophobicContact CD2-CB 3.82Å; Y17-L58 HydrophobicContact CD2-CD1 4.35Å; Y17-L58 HydrophobicContact CD2-CD2 4.38Å; Y17-L58 HydrophobicContact CD2-CG 4.42Å; Y17-L58 HydrophobicContact CE1-CD1 3.98Å; Y17-L58 HydrophobicContact CE2-CB 4.39Å; Y17-L58 HydrophobicContact CE2-CD1 4.19Å; Y17-L58 HydrophobicContact CE2-CD2 4.19Å; Y17-L58 HydrophobicContact CG-CB 3.83Å; Y17-L58 HydrophobicContact CG-CD1 4.32Å; Y17-N62 WeakPolarHBondContact O-CB 3.31Å; Y17-N62 PolarHBondContact O-ND2 3.47Å
18D94.4Very high89.6Confident4 Ų460.8 Ų60.82%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-140.5166178.4-159.211.9000111I9 Y10 R12 F20 S36 N62 T68I9-D18 WeakPolarHBondContact CA-O 3.31Å; Y10-D18 PolarHBondContact N-O 3.04Å; Y10-D18 VanDerWaalsContact N-O 3.14Å; Y10-D18 PolarHBondContact O-N 3.31Å; R12-D18 HydrophobicContact CG-CB 4.49Å; D18-F20 HydrophobicContact CB-CD2 4.38Å; D18-F20 HydrophobicContact CB-CE2 3.7Å; D18-F20 HydrophobicContact CB-CZ 4.31Å; D18-F20 WeakPolarHBondContact O-CD2 3.39Å; D18-S36 PolarHBondContact OD2-OG 2.91Å; D18-N62 PolarHBondContact OD1-ND2 3.14Å; D18-T68 WeakPolarHBondContact OD1-CB 3.34Å; D18-T68 VanDerWaalsContact OD1-CG2 3.25Å; D18-T68 WeakPolarHBondContact OD1-CG2 3.34Å; D18-T68 PolarHBondContact OD1-OG1 3.47Å; D18-T68 VanDerWaalsContact OD1-OG1 3.07Å; D18-T68 PolarHBondContact OD2-OG1 3.06Å
19L94Very high89.3Confident15 Ų1564.5 Ų64.58%0.07931%0.308CS..EExtended strand (participates in β ladder)trans-86.5139.6173.3-74.2168.1000110.5V7 I9 S36 I51 L59 I65 T68 L69 V72V7-L19 HydrophobicContact CG1-CD2 4.08Å; I9-L19 HydrophobicContact CG1-CD2 3.76Å; L19-S36 WeakPolarHBondContact O-CB 3.34Å; L19-S36 PolarHBondContact O-OG 2.83Å; L19-I51 HydrophobicContact CD2-CD1 4.26Å; L19-I51 HydrophobicContact CD2-CG1 4.4Å; L19-L59 HydrophobicContact CD1-CD1 4.25Å; L19-L59 HydrophobicContact CD2-CD1 4.01Å; L19-L59 HydrophobicContact CG-CD1 3.89Å; L19-L59 HydrophobicContact CG-CD2 4.4Å; L19-I65 HydrophobicContact CD1-CD1 4.09Å; L19-I65 HydrophobicContact CG-CD1 4.21Å; L19-T68 HydrophobicContact CB-CG2 3.94Å; L19-T68 VanDerWaalsContact O-CG2 3.31Å; L19-T68 WeakPolarHBondContact O-CG2 3.48Å; L19-L69 HydrophobicContact CD1-CD1 3.94Å; L19-V72 HydrophobicContact CB-CG2 4.29Å
20F93.4Very high88.8Confident0 Ų067.8 Ų67.80%033%0.331CS..EExtended strand (participates in β ladder)trans-139.1158.6179.1-68.7-100.5000111.3V7 C8 Y10 R12 D18 V34 R35 S36 Y39V7-F20 CarbonylContact C-O 3.55Å; V7-F20 VanDerWaalsContact CA-O 3.31Å; V7-F20 WeakPolarHBondContact CA-O 3.35Å; V7-F20 WeakPolarHBondContact CG1-O 3.23Å; C8-F20 PolarHBondContact N-O 3.08Å; C8-F20 PolarHBondContact O-N 2.96Å; Y10-F20 HydrophobicContact CD1-CE2 4.15Å; Y10-F20 HydrophobicContact CD1-CZ 4.31Å; R12-F20 HydrophobicContact CG-CE2 4.3Å; R12-F20 HydrophobicContact CG-CZ 3.9Å; D18-F20 HydrophobicContact CB-CD2 4.38Å; D18-F20 HydrophobicContact CB-CE2 3.7Å; D18-F20 HydrophobicContact CB-CZ 4.31Å; D18-F20 WeakPolarHBondContact O-CD2 3.39Å; F20-V34 HydrophobicContact CB-CB 3.89Å; F20-V34 HydrophobicContact CB-CG2 4.36Å; F20-V34 HydrophobicContact CD1-CB 3.93Å; F20-V34 HydrophobicContact CD1-CG2 3.7Å; F20-V34 HydrophobicContact CE1-CG2 4.21Å; F20-V34 HydrophobicContact CG-CB 4.17Å; F20-V34 HydrophobicContact CG-CG2 4.11Å; F20-R35 CarbonylContact C-O 3.58Å; F20-R35 VanDerWaalsContact CA-O 3.3Å; F20-R35 WeakPolarHBondContact CA-O 3.36Å; F20-R35 VanDerWaalsContact CD1-C 3.41Å; F20-S36 VanDerWaalsContact CD1-N 3.31Å; F20-Y39 AromaticContact CE1-CD1 3.62Å; F20-Y39 HydrophobicContact CE1-CD1 3.62Å; F20-Y39 HydrophobicContact CE1-CE1 4.15Å; F20-Y39 AromaticContact CZ-CD1 3.72Å; F20-Y39 HydrophobicContact CZ-CD1 3.72Å; F20-Y39 HydrophobicContact CZ-CE1 4.09Å
21I90.8Very high88.6Confident1 Ų168.1 Ų68.11%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-109.2138.9166.7-56-175.9000109.4D6 V7 V34 R35 V72 I79D6-I21 WeakPolarHBondContact O-CA 3.22Å; V7-I21 HydrophobicContact CG2-CG1 4.45Å; I21-V34 CarbonylContact O-C 3.53Å; I21-V34 VanDerWaalsContact O-CA 3.27Å; I21-V34 WeakPolarHBondContact O-CA 3.48Å; I21-R35 PolarHBondContact N-O 3.44Å; I21-R35 PolarHBondContact O-N 3.05Å; I21-V72 HydrophobicContact CD1-CG1 4.03Å; I21-V72 WeakPolarHBondContact CD1-O 3.08Å; I21-V72 HydrophobicContact CG1-CB 4.48Å; I21-V72 HydrophobicContact CG1-CG1 3.81Å; I21-V72 HydrophobicContact CG1-CG2 4.38Å; I21-I79 HydrophobicContact CD1-CD1 4.38Å; I21-I79 HydrophobicContact CG2-CD1 3.65Å
22I88.4Confident88.4Confident0 Ų065.3 Ų65.30%032%0.322CS..EExtended strand (participates in β ladder)trans-77.2123.3172.6-57.8179.5000109.4W2 L4 G5 D6 I25 V32 V34 L48W2-I22 HydrophobicContact CB-CD1 3.58Å; W2-I22 HydrophobicContact CD2-CD1 3.75Å; W2-I22 HydrophobicContact CE3-CD1 3.58Å; W2-I22 HydrophobicContact CG-CD1 3.79Å; W2-I22 HydrophobicContact CZ3-CD1 4.42Å; L4-I22 HydrophobicContact CD2-CG2 4.46Å; G5-I22 PolarHBondContact N-O 2.85Å; D6-I22 HydrophobicContact CB-CD1 4.18Å; D6-I22 PolarHBondContact O-N 3.28Å; I22-I25 HydrophobicContact CG2-CD1 3.95Å; I22-I25 HydrophobicContact CG2-CG1 3.54Å; I22-V32 HydrophobicContact CG2-CB 4.45Å; I22-V34 HydrophobicContact CG1-CG1 4.1Å; I22-L48 HydrophobicContact CD1-CD1 3.67Å; I22-L48 HydrophobicContact CG1-CD1 4.11Å
23E84.5Confident88.5Confident41 Ų4163.4 Ų63.419%0.19232%0.318CS..EExtended strand (participates in β ladder)trans-113.6-27.4-175.3-58.6-165.2147.200113.4L4 T33 R35L4-E23 WeakPolarHBondContact CD2-O 3.33Å; E23-T33 PolarHBondContact N-O 3.5Å; E23-R35 HydrophobicContact CG-CB 4.03Å; E23-R35 WeakPolarHBondContact OE1-CB 3.25Å; E23-R35 WeakPolarHBondContact OE1-CD 3.34Å; E23-R35 IonicContact OE1-CZ 3.73Å; E23-R35 IonicContact OE1-NE 3.55Å; E23-R35 PolarHBondContact OE1-NE 2.94Å; E23-R35 VanDerWaalsContact OE1-NE 3.08Å; E23-R35 IonicContact OE1-NH1 3.97Å; E23-R35 PolarHBondContact OE1-NH1 3.41Å; E23-R35 IonicContact OE1-NH2 2.76Å; E23-R35 IonicContact OE2-CZ 2.84Å; E23-R35 IonicContact OE2-NE 3.08Å; E23-R35 PolarHBondContact OE2-NE 3.3Å; E23-R35 VanDerWaalsContact OE2-NE 3.09Å; E23-R35 IonicContact OE2-NH1 2.57Å; E23-R35 PolarHBondContact OE2-NH1 3.15Å; E23-R35 IonicContact OE2-NH2 3.29Å; E23-R35 PolarHBondContact OE2-NH2 2.86Å
24E83.9Confident88.7Confident120 Ų12055.6 Ų55.656%0.56128%0.281SS*.EExtended strand (participates in β ladder)trans-142.6142.3174.9-54.7176.116400108.8V32 T33E24-V32 CarbonylContact O-C 3.39Å; E24-V32 WeakPolarHBondContact O-CA 3.48Å; E24-T33 PolarHBondContact N-O 3.47Å; E24-T33 PolarHBondContact O-N 3.39Å; E24-T33 PolarHBondContact OE2-OG1 3Å; E24-T33 VanDerWaalsContact OE2-OG1 3.14Å
25I84.4Confident88.7Confident54 Ų5456.6 Ų56.628%0.27728%0.279SS..EExtended strand (participates in β ladder)trans-126119174.5-60.7171.3000106.9W2 L4 I22 L27 V32W2-I25 WeakPolarHBondContact O-CD1 3.31Å; L4-I25 HydrophobicContact CD2-CD1 4.17Å; L4-I25 HydrophobicContact CD2-CG1 3.93Å; L4-I25 HydrophobicContact CG-CD1 4.4Å; I22-I25 HydrophobicContact CG2-CD1 3.95Å; I22-I25 HydrophobicContact CG2-CG1 3.54Å; I25-L27 HydrophobicContact CG2-CD2 3.83Å; I25-L27 HydrophobicContact CG2-CG 4.4Å; I25-V32 HydrophobicContact CB-CG1 4.43Å; I25-V32 HydrophobicContact CG1-CG1 4.06Å; I25-V32 HydrophobicContact CG2-CG1 4.26Å
26N83.4Confident88.5Confident64 Ų6450 Ų5034%0.34225%0.251SS..EExtended strand (participates in β ladder)trans-93.7105.5169.6-174.9-29.8000109E28 N29 S30 L31N26-E28 VanDerWaalsContact C-N 3.27Å; N26-E28 PolarHBondContact O-N 3.13Å; N26-E28 WeakPolarHBondContact OD1-CB 3.47Å; N26-E28 PolarHBondContact OD1-N 2.85Å; N26-N29 WeakPolarHBondContact CB-OD1 3.46Å; N26-N29 PolarHBondContact ND2-OD1 3.11Å; N26-N29 PolarHBondContact O-OD1 3.24Å; N26-N29 PolarHBondContact OD1-N 3.27Å; N26-N29 PolarHBondContact OD1-OD1 3.45Å; N26-S30 PolarHBondContact O-N 3.5Å; N26-S30 VanDerWaalsContact O-N 3.1Å; N26-L31 HydrophobicContact CB-CB 4.44Å; N26-L31 WeakPolarHBondContact CB-O 3.39Å; N26-L31 PolarHBondContact N-O 3.1Å
27L76.6Confident87.8Confident138 Ų13850.5 Ų50.572%0.72326%0.255SS*.THydrogen-bonded Turntrans-70.1-22.3-178.3-63.6174.3000113.1M1 I25M1-L27 HydrophobicContact CE-CD2 4.26Å; I25-L27 HydrophobicContact CG2-CD2 3.83Å; I25-L27 HydrophobicContact CG2-CG 4.4Å
28E82.5Confident86.9Confident188 Ų18853.3 Ų53.388%0.87928%0.284SS*.THydrogen-bonded Turntrans-75.3-31-177.2-59.9-177168.100112.6N26N26-E28 VanDerWaalsContact C-N 3.27Å; N26-E28 PolarHBondContact O-N 3.13Å; N26-E28 WeakPolarHBondContact OD1-CB 3.47Å; N26-E28 PolarHBondContact OD1-N 2.85Å
29N85.4Confident86.3Confident78 Ų7855.9 Ų55.942%0.41729%0.294SS..THydrogen-bonded Turntrans-12810-173.8677.3000114.3N26 L31N26-N29 WeakPolarHBondContact CB-OD1 3.46Å; N26-N29 PolarHBondContact ND2-OD1 3.11Å; N26-N29 PolarHBondContact O-OD1 3.24Å; N26-N29 PolarHBondContact OD1-N 3.27Å; N26-N29 PolarHBondContact OD1-OD1 3.45Å; N29-L31 PolarHBondContact O-N 2.98Å; N29-L31 VanDerWaalsContact O-N 3.08Å; N29-L31 WeakPolarHBondContact OD1-CB 3.37Å; N29-L31 PolarHBondContact OD1-N 3.47Å
30S86Confident86.1Confident69 Ų6958.4 Ų58.448%0.48331%0.31SS..THydrogen-bonded Turntrans57.618-178.3-60.30000114.7N26 S45N26-S30 PolarHBondContact O-N 3.5Å; N26-S30 VanDerWaalsContact O-N 3.1Å; S30-S45 PolarHBondContact O-N 3.07Å; S30-S45 PolarHBondContact O-OG 3.11Å
31L91.7Very high86.1Confident51 Ų5159.7 Ų59.727%0.26732%0.318SS..EExtended strand (participates in β ladder)trans-85141176.4-163.578.3000109.8N26 N29 C43 Y44N26-L31 HydrophobicContact CB-CB 4.44Å; N26-L31 WeakPolarHBondContact CB-O 3.39Å; N26-L31 PolarHBondContact N-O 3.1Å; N29-L31 PolarHBondContact O-N 2.98Å; N29-L31 VanDerWaalsContact O-N 3.08Å; N29-L31 WeakPolarHBondContact OD1-CB 3.37Å; N29-L31 PolarHBondContact OD1-N 3.47Å; L31-C43 WeakPolarHBondContact CA-O 3.49Å; L31-C43 VanDerWaalsContact CD1-O 3.31Å; L31-C43 WeakPolarHBondContact CD1-O 3.43Å; L31-Y44 HydrophobicContact CD1-CD1 4.44Å; L31-Y44 HydrophobicContact CD1-CE1 4.49Å
32V92.1Very high86.3Confident2 Ų262.6 Ų62.61%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-126.9140.7177.1-65.10000109.7I22 E24 I25 V34 S42 C43 L48I22-V32 HydrophobicContact CG2-CB 4.45Å; E24-V32 CarbonylContact O-C 3.39Å; E24-V32 WeakPolarHBondContact O-CA 3.48Å; I25-V32 HydrophobicContact CB-CG1 4.43Å; I25-V32 HydrophobicContact CG1-CG1 4.06Å; I25-V32 HydrophobicContact CG2-CG1 4.26Å; V32-V34 HydrophobicContact CG2-CG1 4.08Å; V32-S42 VanDerWaalsContact O-CA 3.23Å; V32-S42 WeakPolarHBondContact O-CA 3.27Å; V32-C43 WeakPolarHBondContact CG2-O 3.23Å; V32-C43 PolarHBondContact N-O 3.27Å; V32-C43 PolarHBondContact O-N 3.35Å; V32-L48 HydrophobicContact CG2-CD1 3.77Å; V32-L48 HydrophobicContact CG2-CG 4.22Å
33T92.9Very high86.6Confident22 Ų2262.9 Ų62.914%0.13534%0.34CS..EExtended strand (participates in β ladder)trans-94.2124.6169.3-57.70000108E23 E24 T40 T41 S42E23-T33 PolarHBondContact N-O 3.5Å; E24-T33 PolarHBondContact N-O 3.47Å; E24-T33 PolarHBondContact O-N 3.39Å; E24-T33 PolarHBondContact OE2-OG1 3Å; E24-T33 VanDerWaalsContact OE2-OG1 3.14Å; T33-T40 HydrophobicContact CG2-CG2 3.65Å; T33-T41 WeakPolarHBondContact CA-O 3.49Å; T33-S42 PolarHBondContact OG1-OG 2.94Å
34V92.3Very high87Confident0 Ų067.2 Ų67.20%036%0.356CS..EExtended strand (participates in β ladder)trans-122.9140.6-176.8-63.20000111.1F20 I21 I22 V32 T40 T41 L48F20-V34 HydrophobicContact CB-CB 3.89Å; F20-V34 HydrophobicContact CB-CG2 4.36Å; F20-V34 HydrophobicContact CD1-CB 3.93Å; F20-V34 HydrophobicContact CD1-CG2 3.7Å; F20-V34 HydrophobicContact CE1-CG2 4.21Å; F20-V34 HydrophobicContact CG-CB 4.17Å; F20-V34 HydrophobicContact CG-CG2 4.11Å; I21-V34 CarbonylContact O-C 3.53Å; I21-V34 VanDerWaalsContact O-CA 3.27Å; I21-V34 WeakPolarHBondContact O-CA 3.48Å; I22-V34 HydrophobicContact CG1-CG1 4.1Å; V32-V34 HydrophobicContact CG2-CG1 4.08Å; V34-T40 VanDerWaalsContact O-CA 3.31Å; V34-T40 WeakPolarHBondContact O-CA 3.39Å; V34-T41 HydrophobicContact CG2-CG2 3.77Å; V34-T41 PolarHBondContact N-O 3.14Å; V34-T41 PolarHBondContact O-N 2.78Å; V34-L48 HydrophobicContact CG1-CD1 4.37Å; V34-L48 HydrophobicContact CG1-CD2 4.21Å
35R88.8Confident87.5Confident104 Ų10463.3 Ų63.339%0.39234%0.341SS..EExtended strand (participates in β ladder)trans-123.9130.2179.9-179-179.5-62.6141.64.7112.2F20 I21 E23 Y39 T40F20-R35 CarbonylContact C-O 3.58Å; F20-R35 VanDerWaalsContact CA-O 3.3Å; F20-R35 WeakPolarHBondContact CA-O 3.36Å; F20-R35 VanDerWaalsContact CD1-C 3.41Å; I21-R35 PolarHBondContact N-O 3.44Å; I21-R35 PolarHBondContact O-N 3.05Å; E23-R35 HydrophobicContact CG-CB 4.03Å; E23-R35 WeakPolarHBondContact OE1-CB 3.25Å; E23-R35 WeakPolarHBondContact OE1-CD 3.34Å; E23-R35 IonicContact OE1-CZ 3.73Å; E23-R35 IonicContact OE1-NE 3.55Å; E23-R35 PolarHBondContact OE1-NE 2.94Å; E23-R35 VanDerWaalsContact OE1-NE 3.08Å; E23-R35 IonicContact OE1-NH1 3.97Å; E23-R35 PolarHBondContact OE1-NH1 3.41Å; E23-R35 IonicContact OE1-NH2 2.76Å; E23-R35 IonicContact OE2-CZ 2.84Å; E23-R35 IonicContact OE2-NE 3.08Å; E23-R35 PolarHBondContact OE2-NE 3.3Å; E23-R35 VanDerWaalsContact OE2-NE 3.09Å; E23-R35 IonicContact OE2-NH1 2.57Å; E23-R35 PolarHBondContact OE2-NH1 3.15Å; E23-R35 IonicContact OE2-NH2 3.29Å; E23-R35 PolarHBondContact OE2-NH2 2.86Å; R35-Y39 WeakPolarHBondContact CA-O 3.38Å; R35-T40 WeakPolarHBondContact CG-OG1 3.31Å; R35-T40 PolarHBondContact NE-OG1 3.23Å
36S86.7Confident87.8Confident4 Ų465.4 Ų65.43%0.02836%0.361CS..  trans-104.8-177.3163.7172.40000108.8D18 L19 F20 S38 Y39 T68D18-S36 PolarHBondContact OD2-OG 2.91Å; L19-S36 WeakPolarHBondContact O-CB 3.34Å; L19-S36 PolarHBondContact O-OG 2.83Å; F20-S36 VanDerWaalsContact CD1-N 3.31Å; S36-S38 VanDerWaalsContact C-N 3.26Å; S36-S38 PolarHBondContact O-N 3.02Å; S36-Y39 PolarHBondContact N-O 2.87Å; S36-T68 VanDerWaalsContact OG-CG2 3.23Å; S36-T68 WeakPolarHBondContact OG-CG2 3.29Å
37S76.3Confident88.4Confident46 Ų4666.1 Ų66.132%0.32237%0.365SS..SBendtrans-45.1-42.6-173.658.50000115.8S71S37-S71 WeakPolarHBondContact CA-OG 3.33Å
38S76.2Confident89.3Confident118 Ų11860.1 Ų60.183%0.82533%0.333SS*.SBendtrans-139.110.4-178.555.20000113.4S36S36-S38 VanDerWaalsContact C-N 3.26Å; S36-S38 PolarHBondContact O-N 3.02Å
39Y82.8Confident90Very high58 Ų5853.6 Ų53.623%0.22730%0.304CS..  trans-133.6121.5-171.5-178.6-106.7000110.2R12 F20 R35 S36 T41R12-Y39 HydrophobicContact CG-CD1 4.27Å; R12-Y39 HydrophobicContact CG-CE1 4.11Å; F20-Y39 AromaticContact CE1-CD1 3.62Å; F20-Y39 HydrophobicContact CE1-CD1 3.62Å; F20-Y39 HydrophobicContact CE1-CE1 4.15Å; F20-Y39 AromaticContact CZ-CD1 3.72Å; F20-Y39 HydrophobicContact CZ-CD1 3.72Å; F20-Y39 HydrophobicContact CZ-CE1 4.09Å; R35-Y39 WeakPolarHBondContact CA-O 3.38Å; S36-Y39 PolarHBondContact N-O 2.87Å; Y39-T41 HydrophobicContact CD1-CG2 4.49Å; Y39-T41 HydrophobicContact CE1-CG2 3.62Å; Y39-T41 PolarHBondContact OH-OG1 2.95Å
40T90.4Very high90.4Very high68 Ų6856.3 Ų56.342%0.41731%0.312SS..EExtended strand (participates in β ladder)trans-119136.4174-63.10000108.8T33 V34 R35T33-T40 HydrophobicContact CG2-CG2 3.65Å; V34-T40 VanDerWaalsContact O-CA 3.31Å; V34-T40 WeakPolarHBondContact O-CA 3.39Å; R35-T40 WeakPolarHBondContact CG-OG1 3.31Å; R35-T40 PolarHBondContact NE-OG1 3.23Å
41T93.4Very high90.6Very high28 Ų2857.4 Ų57.417%0.17231%0.312CS..EExtended strand (participates in β ladder)trans-149.7168179.3-165.60000110.7Y10 T33 V34 Y39Y10-T41 HydrophobicContact CD1-CG2 4.31Å; Y10-T41 HydrophobicContact CE1-CG2 3.9Å; T33-T41 WeakPolarHBondContact CA-O 3.49Å; V34-T41 HydrophobicContact CG2-CG2 3.77Å; V34-T41 PolarHBondContact N-O 3.14Å; V34-T41 PolarHBondContact O-N 2.78Å; Y39-T41 HydrophobicContact CD1-CG2 4.49Å; Y39-T41 HydrophobicContact CE1-CG2 3.62Å; Y39-T41 PolarHBondContact OH-OG1 2.95Å
42S93.7Very high90.6Very high61 Ų6157.8 Ų57.843%0.42732%0.316SS..EExtended strand (participates in β ladder)trans-116.7135.9174-55.20000110V32 T33V32-S42 VanDerWaalsContact O-CA 3.23Å; V32-S42 WeakPolarHBondContact O-CA 3.27Å; T33-S42 PolarHBondContact OG1-OG 2.94Å
43C94.1Very high90.5Very high6 Ų663 Ų634%0.04135%0.352CS..EExtended strand (participates in β ladder)trans-146.5171.2-179.957.10000110.8Y10 L31 V32Y10-C43 HydrophobicContact CD2-CB 4.34Å; Y10-C43 HydrophobicContact CE1-CB 4.26Å; Y10-C43 HydrophobicContact CE2-CB 3.6Å; L31-C43 WeakPolarHBondContact CA-O 3.49Å; L31-C43 VanDerWaalsContact CD1-O 3.31Å; L31-C43 WeakPolarHBondContact CD1-O 3.43Å; V32-C43 WeakPolarHBondContact CG2-O 3.23Å; V32-C43 PolarHBondContact N-O 3.27Å; V32-C43 PolarHBondContact O-N 3.35Å
44Y94.6Very high90.5Very high133 Ų13369.4 Ų69.452%0.52238%0.381SS..EExtended strand (participates in β ladder)trans-76.8142.7174.6-66.9-73.1000110.5L31 S46 D47L31-Y44 HydrophobicContact CD1-CD1 4.44Å; L31-Y44 HydrophobicContact CD1-CE1 4.49Å; Y44-S46 PolarHBondContact O-N 2.87Å; Y44-S46 VanDerWaalsContact O-N 3.1Å; Y44-D47 WeakPolarHBondContact O-CB 3.33Å; Y44-D47 PolarHBondContact O-N 3.04Å
45S92.6Very high90.6Very high37 Ų3770.8 Ų70.826%0.25939%0.388SS..G310 helixtrans-59.4-23.4177.963.90000113.7W2 S30 D47 L48W2-S45 PolarHBondContact NE1-O 3.07Å; S30-S45 PolarHBondContact O-N 3.07Å; S30-S45 PolarHBondContact O-OG 3.11Å; S45-D47 VanDerWaalsContact C-N 3.29Å; S45-L48 PolarHBondContact O-N 3.2Å
46S92.4Very high90.7Very high98 Ų9868 Ų6869%0.68538%0.383SS*.G310 helixtrans-69.1-22.5173.155.50000114.1Y44 L48Y44-S46 PolarHBondContact O-N 2.87Å; Y44-S46 VanDerWaalsContact O-N 3.1Å; S46-L48 VanDerWaalsContact C-N 3.32Å
47D95Very high90.9Very high80 Ų8072.6 Ų72.643%0.42841%0.407SS..G310 helixtrans-87.1-8.5-178.9-56.8-27000111.9Y10 Y44 S45Y10-D47 HydrophobicContact CD2-CB 4.27Å; Y10-D47 HydrophobicContact CE2-CB 3.92Å; Y44-D47 WeakPolarHBondContact O-CB 3.33Å; Y44-D47 PolarHBondContact O-N 3.04Å; S45-D47 VanDerWaalsContact C-N 3.29Å
48L96.3Very high91.7Very high12 Ų1272.9 Ų72.96%0.06341%0.405CS..PPolyproline II helixtrans-82.2136178.6-61.3-170.5000111.7W2 C8 Y10 I22 V32 V34 S45 S46W2-L48 HydrophobicContact CD2-CD1 4.17Å; W2-L48 HydrophobicContact CG-CD1 4.36Å; W2-L48 HydrophobicContact CH2-CB 4.34Å; W2-L48 HydrophobicContact CZ2-CB 3.5Å; W2-L48 VanDerWaalsContact CZ2-CB 3.5Å; W2-L48 HydrophobicContact CZ2-CD1 4.36Å; C8-L48 HydrophobicContact CB-CB 4.32Å; C8-L48 HydrophobicContact CB-CD1 4.14Å; C8-L48 HydrophobicContact CB-CD2 4.47Å; Y10-L48 HydrophobicContact CD2-CD2 4.02Å; Y10-L48 HydrophobicContact CG-CD2 4.17Å; I22-L48 HydrophobicContact CD1-CD1 3.67Å; I22-L48 HydrophobicContact CG1-CD1 4.11Å; V32-L48 HydrophobicContact CG2-CD1 3.77Å; V32-L48 HydrophobicContact CG2-CG 4.22Å; V34-L48 HydrophobicContact CG1-CD1 4.37Å; V34-L48 HydrophobicContact CG1-CD2 4.21Å; S45-L48 PolarHBondContact O-N 3.2Å; S46-L48 VanDerWaalsContact C-N 3.32Å
49L96.5Very high92.5Very high50 Ų5067.9 Ų67.926%0.26237%0.369SS..BIsolated β-bridgetrans-103.7137175.2-59.7179.9000110.7I9 Y17 L58I9-L49 HydrophobicContact CB-CB 4.03Å; I9-L49 HydrophobicContact CG2-CB 4.38Å; I9-L49 HydrophobicContact CG2-CD1 4.45Å; I9-L49 PolarHBondContact N-O 3Å; I9-L49 PolarHBondContact O-N 3.14Å; Y17-L49 HydrophobicContact CD1-CD1 4.37Å; Y17-L49 HydrophobicContact CE1-CD1 3.8Å; L49-L58 HydrophobicContact CD1-CD1 3.76Å
50K93.8Very high92.8Very high135 Ų13573.2 Ų73.259%0.58739%0.39SS*.PPolyproline II helixtrans-70.2152.3170.8-68.5-175.2179.1-179.20110.8W2 T52 N55W2-K50 HydrophobicContact CH2-CB 4.42Å; W2-K50 HydrophobicContact CH2-CG 3.81Å; W2-K50 HydrophobicContact CZ2-CG 3.99Å; K50-T52 HydrophobicContact CB-CG2 4.31Å; K50-T52 PolarHBondContact O-N 3.41Å; K50-N55 WeakPolarHBondContact O-CB 3.46Å; K50-N55 PolarHBondContact O-ND2 3.47Å
51I90.8Very high92.6Very high92 Ų9277.9 Ų77.947%0.47240%0.404SS..  trans-70.9102.7170.2-58172.2000108.4V7 I9 L19 V56V7-I51 HydrophobicContact CB-CD1 3.83Å; V7-I51 HydrophobicContact CG1-CD1 3.71Å; I9-I51 HydrophobicContact CD1-CG1 4.42Å; I9-I51 HydrophobicContact CG1-CG1 4.43Å; L19-I51 HydrophobicContact CD2-CD1 4.26Å; L19-I51 HydrophobicContact CD2-CG1 4.4Å; I51-V56 HydrophobicContact CG2-CG2 4.03Å
52T90.6Very high92.4Very high60 Ų6076.8 Ų76.837%0.36840%0.397SS..  trans-129.2160.117266.70000108.2K50 E54 N55 V56K50-T52 HydrophobicContact CB-CG2 4.31Å; K50-T52 PolarHBondContact O-N 3.41Å; T52-E54 PolarHBondContact O-N 2.89Å; T52-N55 PolarHBondContact O-N 2.87Å; T52-N55 VanDerWaalsContact O-N 3.11Å; T52-N55 PolarHBondContact OG1-N 2.89Å; T52-N55 PolarHBondContact OG1-ND2 2.85Å; T52-V56 VanDerWaalsContact O-CG2 3.29Å; T52-V56 WeakPolarHBondContact O-CG2 3.45Å; T52-V56 PolarHBondContact O-N 2.99Å
53S90.2Very high92.2Very high110 Ų11081.1 Ų81.177%0.76942%0.415SS*.Hα-helixtrans-54.6-38.7177.9-51.50000112.6
54E92.3Very high91.8Very high158 Ų15886.9 Ų86.974%0.73844%0.442SS*.Hα-helixtrans-64.8-44.9177.2-178.8179.5-173.400112.4T52 D57T52-E54 PolarHBondContact O-N 2.89Å; E54-D57 PolarHBondContact O-N 3.4Å
55N94.9Very high91.5Very high28 Ų2882.5 Ų82.515%0.1543%0.427CS..Hα-helixtrans-75.4-27-177.3-68.4-25.6000112.7I9 K50 T52 D57 L58I9-N55 HydrophobicContact CD1-CB 3.87Å; K50-N55 WeakPolarHBondContact O-CB 3.46Å; K50-N55 PolarHBondContact O-ND2 3.47Å; T52-N55 PolarHBondContact O-N 2.87Å; T52-N55 VanDerWaalsContact O-N 3.11Å; T52-N55 PolarHBondContact OG1-N 2.89Å; T52-N55 PolarHBondContact OG1-ND2 2.85Å; N55-D57 PolarHBondContact O-N 2.8Å; N55-L58 VanDerWaalsContact O-CB 3.31Å; N55-L58 WeakPolarHBondContact O-CB 3.47Å; N55-L58 PolarHBondContact O-N 3.04Å; N55-L58 VanDerWaalsContact O-N 3.15Å
56V91.1Very high91.2Very high46 Ų4685.3 Ų85.328%0.27944%0.443SS..Hα-helixtrans-60.6-32176.3167.40000111.3I51 T52 L58 L59I51-V56 HydrophobicContact CG2-CG2 4.03Å; T52-V56 VanDerWaalsContact O-CG2 3.29Å; T52-V56 WeakPolarHBondContact O-CG2 3.45Å; T52-V56 PolarHBondContact O-N 2.99Å; V56-L58 PolarHBondContact O-N 2.86Å; V56-L58 VanDerWaalsContact O-N 3.13Å; V56-L59 WeakPolarHBondContact O-CB 3.3Å; V56-L59 PolarHBondContact O-N 2.84Å
57D91.8Very high90.7Very high101 Ų10183.5 Ų83.554%0.5443%0.43SS..G310 helixtrans-61.2-25178.6-69.5-14000113.1E54 N55 L59 Y60E54-D57 PolarHBondContact O-N 3.4Å; N55-D57 PolarHBondContact O-N 2.8Å; D57-L59 PolarHBondContact O-N 2.88Å; D57-Y60 HydrophobicContact CB-CD2 4.32Å; D57-Y60 HydrophobicContact CB-CE2 4.32Å; D57-Y60 WeakPolarHBondContact O-CD2 3.45Å; D57-Y60 WeakPolarHBondContact OD1-CE2 3.31Å
58L93.3Very high90.2Very high52 Ų5279.7 Ų79.727%0.27241%0.41SS..G310 helixtrans-68.1-26176.9-59.9171.7000112.5Y17 L49 N55 V56 Y60Y17-L58 HydrophobicContact CD1-CB 4.41Å; Y17-L58 HydrophobicContact CD1-CD1 4.15Å; Y17-L58 HydrophobicContact CD2-CB 3.82Å; Y17-L58 HydrophobicContact CD2-CD1 4.35Å; Y17-L58 HydrophobicContact CD2-CD2 4.38Å; Y17-L58 HydrophobicContact CD2-CG 4.42Å; Y17-L58 HydrophobicContact CE1-CD1 3.98Å; Y17-L58 HydrophobicContact CE2-CB 4.39Å; Y17-L58 HydrophobicContact CE2-CD1 4.19Å; Y17-L58 HydrophobicContact CE2-CD2 4.19Å; Y17-L58 HydrophobicContact CG-CB 3.83Å; Y17-L58 HydrophobicContact CG-CD1 4.32Å; L49-L58 HydrophobicContact CD1-CD1 3.76Å; N55-L58 VanDerWaalsContact O-CB 3.31Å; N55-L58 WeakPolarHBondContact O-CB 3.47Å; N55-L58 PolarHBondContact O-N 3.04Å; N55-L58 VanDerWaalsContact O-N 3.15Å; V56-L58 PolarHBondContact O-N 2.86Å; V56-L58 VanDerWaalsContact O-N 3.13Å; L58-Y60 VanDerWaalsContact C-N 3.35Å
59L92.4Very high89.6Confident12 Ų1283.5 Ų83.56%0.06343%0.43CS..G310 helixtrans-76.6-19.5-176.4-60.1173.4000112.9I9 L19 V56 D57 K61 N62 I65I9-L59 HydrophobicContact CD1-CD1 3.98Å; I9-L59 HydrophobicContact CD1-CG 4.32Å; I9-L59 HydrophobicContact CG1-CD1 4.22Å; I9-L59 HydrophobicContact CG1-CD2 4.31Å; I9-L59 HydrophobicContact CG2-CD2 4.07Å; L19-L59 HydrophobicContact CD1-CD1 4.25Å; L19-L59 HydrophobicContact CD2-CD1 4.01Å; L19-L59 HydrophobicContact CG-CD1 3.89Å; L19-L59 HydrophobicContact CG-CD2 4.4Å; V56-L59 WeakPolarHBondContact O-CB 3.3Å; V56-L59 PolarHBondContact O-N 2.84Å; D57-L59 PolarHBondContact O-N 2.88Å; L59-K61 PolarHBondContact O-N 2.83Å; L59-K61 VanDerWaalsContact O-N 3.08Å; L59-N62 WeakPolarHBondContact O-CB 3.44Å; L59-N62 PolarHBondContact O-N 3.23Å; L59-I65 HydrophobicContact CB-CD1 4.02Å; L59-I65 HydrophobicContact CB-CG1 4.21Å; L59-I65 HydrophobicContact CD1-CD1 4.22Å; L59-I65 HydrophobicContact CD2-CD1 4.02Å; L59-I65 HydrophobicContact CG-CD1 4.31Å
60Y88.3Confident88.8Confident171 Ų17186.4 Ų86.467%0.67145%0.445SS*.G310 helixtrans-64.5-15.1-179.6-66.5-57.4000114.2D57 L58 N62D57-Y60 HydrophobicContact CB-CD2 4.32Å; D57-Y60 HydrophobicContact CB-CE2 4.32Å; D57-Y60 WeakPolarHBondContact O-CD2 3.45Å; D57-Y60 WeakPolarHBondContact OD1-CE2 3.31Å; L58-Y60 VanDerWaalsContact C-N 3.35Å; Y60-N62 VanDerWaalsContact C-N 3.29Å
61K86.8Confident88.2Confident165 Ų16581.9 Ų81.972%0.71743%0.43SS*.G310 helixtrans-80.4-10.4173.8-65.7-178.6-179.3174.80113.3L59L59-K61 PolarHBondContact O-N 2.83Å; L59-K61 VanDerWaalsContact O-N 3.08Å
62N88.6Confident87.6Confident5 Ų577.9 Ų77.93%0.02741%0.41CS..  trans-95.2103.3-178.9-175.9-8.5000110.3V16 Y17 D18 L59 Y60 H64 I65V16-N62 HydrophobicContact CG1-CB 3.56Å; Y17-N62 WeakPolarHBondContact O-CB 3.31Å; Y17-N62 PolarHBondContact O-ND2 3.47Å; D18-N62 PolarHBondContact OD1-ND2 3.14Å; L59-N62 WeakPolarHBondContact O-CB 3.44Å; L59-N62 PolarHBondContact O-N 3.23Å; Y60-N62 VanDerWaalsContact C-N 3.29Å; N62-H64 PolarHBondContact O-N 2.98Å; N62-H64 VanDerWaalsContact O-N 3.07Å; N62-H64 WeakPolarHBondContact OD1-CA 3.26Å; N62-H64 WeakPolarHBondContact OD1-CB 3.33Å; N62-H64 PolarHBondContact OD1-N 3.48Å; N62-I65 HydrophobicContact CB-CB 4.27Å; N62-I65 WeakPolarHBondContact O-CB 3.09Å; N62-I65 WeakPolarHBondContact O-CG2 3.28Å; N62-I65 PolarHBondContact O-N 3.26Å; N62-I65 VanDerWaalsContact O-N 3.11Å
63D89.1Confident87Confident152 Ų15279 Ų7981%0.81341%0.414SS*.THydrogen-bonded Turntrans-64.5-12.6179.3-64.9-24000113.6
64H86.9Confident86.3Confident128 Ų12879 Ų7959%0.59340%0.398SS*.THydrogen-bonded Turntrans-101.24.6178.8-59.8-62.8000113.7N62 T66 S67 T68N62-H64 PolarHBondContact O-N 2.98Å; N62-H64 VanDerWaalsContact O-N 3.07Å; N62-H64 WeakPolarHBondContact OD1-CA 3.26Å; N62-H64 WeakPolarHBondContact OD1-CB 3.33Å; N62-H64 PolarHBondContact OD1-N 3.48Å; H64-T66 PolarHBondContact O-N 2.77Å; H64-T66 VanDerWaalsContact O-N 3.12Å; H64-S67 PolarHBondContact O-N 3.08Å; H64-S67 PolarHBondContact O-OG 3.39Å; H64-T68 PolarHBondContact O-N 2.64Å; H64-T68 VanDerWaalsContact O-N 3.14Å
65I88.9Confident85.3Confident40 Ų4072.9 Ų72.921%0.20537%0.372CS..Hα-helixtrans-55.5-36.2-171.2-168.660.5000113.5L19 L59 N62 S67 T68 L69L19-I65 HydrophobicContact CD1-CD1 4.09Å; L19-I65 HydrophobicContact CG-CD1 4.21Å; L59-I65 HydrophobicContact CB-CD1 4.02Å; L59-I65 HydrophobicContact CB-CG1 4.21Å; L59-I65 HydrophobicContact CD1-CD1 4.22Å; L59-I65 HydrophobicContact CD2-CD1 4.02Å; L59-I65 HydrophobicContact CG-CD1 4.31Å; N62-I65 HydrophobicContact CB-CB 4.27Å; N62-I65 WeakPolarHBondContact O-CB 3.09Å; N62-I65 WeakPolarHBondContact O-CG2 3.28Å; N62-I65 PolarHBondContact O-N 3.26Å; N62-I65 VanDerWaalsContact O-N 3.11Å; I65-S67 PolarHBondContact O-N 3.12Å; I65-T68 PolarHBondContact O-N 3.25Å; I65-L69 WeakPolarHBondContact O-CB 3.18Å; I65-L69 PolarHBondContact O-N 2.57Å
66T84.9Confident84.4Confident97 Ų9774.8 Ų74.860%0.59538%0.378SS*.Hα-helixtrans-61.7-44.6177.3-50.60000111.8H64 T68 L69 D70H64-T66 PolarHBondContact O-N 2.77Å; H64-T66 VanDerWaalsContact O-N 3.12Å; T66-T68 VanDerWaalsContact C-N 3.31Å; T66-T68 PolarHBondContact O-N 3.09Å; T66-L69 WeakPolarHBondContact O-CB 3.36Å; T66-L69 PolarHBondContact O-N 3.08Å; T66-D70 PolarHBondContact O-N 2.81Å
67S82.2Confident83.4Confident59 Ų5978.2 Ų78.241%0.41339%0.39SS..Hα-helixtrans-68.1-34.3178.377.50000112.1H64 I65 S71H64-S67 PolarHBondContact O-N 3.08Å; H64-S67 PolarHBondContact O-OG 3.39Å; I65-S67 PolarHBondContact O-N 3.12Å; S67-S71 PolarHBondContact O-N 3.36Å
68T84.6Confident82.4Confident1 Ų174.1 Ų74.11%0.00637%0.369CS..Hα-helixtrans-64.8-45172.6-58.60000110.4D18 L19 S36 H64 I65 T66 D70 S71 V72D18-T68 WeakPolarHBondContact OD1-CB 3.34Å; D18-T68 VanDerWaalsContact OD1-CG2 3.25Å; D18-T68 WeakPolarHBondContact OD1-CG2 3.34Å; D18-T68 PolarHBondContact OD1-OG1 3.47Å; D18-T68 VanDerWaalsContact OD1-OG1 3.07Å; D18-T68 PolarHBondContact OD2-OG1 3.06Å; L19-T68 HydrophobicContact CB-CG2 3.94Å; L19-T68 VanDerWaalsContact O-CG2 3.31Å; L19-T68 WeakPolarHBondContact O-CG2 3.48Å; S36-T68 VanDerWaalsContact OG-CG2 3.23Å; S36-T68 WeakPolarHBondContact OG-CG2 3.29Å; H64-T68 PolarHBondContact O-N 2.64Å; H64-T68 VanDerWaalsContact O-N 3.14Å; I65-T68 PolarHBondContact O-N 3.25Å; T66-T68 VanDerWaalsContact C-N 3.31Å; T66-T68 PolarHBondContact O-N 3.09Å; T68-D70 PolarHBondContact O-N 3.4Å; T68-S71 PolarHBondContact O-N 2.8Å; T68-S71 VanDerWaalsContact O-N 3.17Å; T68-V72 HydrophobicContact CG2-CG2 3.77Å; T68-V72 WeakPolarHBondContact O-CB 3.33Å; T68-V72 WeakPolarHBondContact O-CG2 3.35Å; T68-V72 PolarHBondContact O-N 3.19Å
69L84.3Confident81.1Confident92 Ų9274 Ų7448%0.48237%0.369SS..Hα-helixtrans-59-46.7179.5-172.566000111.3L19 I65 T66 S71 V72 D73L19-L69 HydrophobicContact CD1-CD1 3.94Å; I65-L69 WeakPolarHBondContact O-CB 3.18Å; I65-L69 PolarHBondContact O-N 2.57Å; T66-L69 WeakPolarHBondContact O-CB 3.36Å; T66-L69 PolarHBondContact O-N 3.08Å; L69-S71 VanDerWaalsContact C-N 3.29Å; L69-S71 PolarHBondContact O-N 2.8Å; L69-V72 PolarHBondContact O-N 3.35Å; L69-D73 WeakPolarHBondContact O-CB 3.49Å; L69-D73 PolarHBondContact O-N 3.04Å
70D79.8Confident80Confident111 Ų11178.6 Ų78.659%0.59439%0.388SS*.Hα-helixtrans-59.3-40.7177.3-69.3-22.7000112T66 T68 Y74T66-D70 PolarHBondContact O-N 2.81Å; T68-D70 PolarHBondContact O-N 3.4Å; D70-Y74 PolarHBondContact O-N 2.8Å
71S80.4Confident79.1Confident39 Ų3974.5 Ų74.527%0.27338%0.377SS..Hα-helixtrans-73.9-39.9-179.9-176.40000113.2S37 S67 T68 L69 S75S37-S71 WeakPolarHBondContact CA-OG 3.33Å; S67-S71 PolarHBondContact O-N 3.36Å; T68-S71 PolarHBondContact O-N 2.8Å; T68-S71 VanDerWaalsContact O-N 3.17Å; L69-S71 VanDerWaalsContact C-N 3.29Å; L69-S71 PolarHBondContact O-N 2.8Å; S71-S75 WeakPolarHBondContact O-CB 3.39Å; S71-S75 PolarHBondContact O-N 3.05Å; S71-S75 PolarHBondContact O-OG 3.17Å
72V78.8Confident77.9Confident8 Ų868.7 Ų68.75%0.04835%0.354CS..Hα-helixtrans-70-40177.7166.30000110V7 L19 I21 T68 L69 Y74 S75 Y76V7-V72 HydrophobicContact CG1-CG1 3.76Å; V7-V72 HydrophobicContact CG2-CG1 4.17Å; L19-V72 HydrophobicContact CB-CG2 4.29Å; I21-V72 HydrophobicContact CD1-CG1 4.03Å; I21-V72 WeakPolarHBondContact CD1-O 3.08Å; I21-V72 HydrophobicContact CG1-CB 4.48Å; I21-V72 HydrophobicContact CG1-CG1 3.81Å; I21-V72 HydrophobicContact CG1-CG2 4.38Å; T68-V72 HydrophobicContact CG2-CG2 3.77Å; T68-V72 WeakPolarHBondContact O-CB 3.33Å; T68-V72 WeakPolarHBondContact O-CG2 3.35Å; T68-V72 PolarHBondContact O-N 3.19Å; L69-V72 PolarHBondContact O-N 3.35Å; V72-Y74 PolarHBondContact O-N 2.76Å; V72-S75 PolarHBondContact O-N 3.14Å; V72-Y76 WeakPolarHBondContact O-CB 3.43Å; V72-Y76 PolarHBondContact O-N 3.44Å
73D78.5Confident76.6Confident83 Ų8372.3 Ų72.344%0.44438%0.38SS..Hα-helixtrans-59.1-50177-168.748.7000110.9L69 S75 Y76 F77L69-D73 WeakPolarHBondContact O-CB 3.49Å; L69-D73 PolarHBondContact O-N 3.04Å; D73-S75 PolarHBondContact O-N 3.32Å; D73-Y76 PolarHBondContact O-N 2.8Å; D73-F77 WeakPolarHBondContact O-CD2 3.42Å; D73-F77 PolarHBondContact O-N 3.41Å; D73-F77 WeakPolarHBondContact OD1-CE2 3.5Å
74Y74.7Confident75.2Confident111 Ų11170.4 Ų70.444%0.43537%0.369SS..Hα-helixtrans-58.3-48.3174.8179-93.5000112.2D70 V72 Y76 F77 A78 I94D70-Y74 PolarHBondContact O-N 2.8Å; V72-Y74 PolarHBondContact O-N 2.76Å; Y74-Y76 PolarHBondContact O-N 2.84Å; Y74-F77 PolarHBondContact O-N 2.91Å; Y74-A78 HydrophobicContact CE1-CB 4.29Å; Y74-A78 WeakPolarHBondContact O-CB 3.19Å; Y74-A78 PolarHBondContact O-N 3.16Å; Y74-I94 WeakPolarHBondContact OH-CB 3.2Å
75S72Confident74.2Confident29 Ų2967.1 Ų67.120%0.20336%0.356CS..Hα-helixtrans-68.4-36.9-175.8-58.80000111.6S71 V72 D73 A78 I79S71-S75 WeakPolarHBondContact O-CB 3.39Å; S71-S75 PolarHBondContact O-N 3.05Å; S71-S75 PolarHBondContact O-OG 3.17Å; V72-S75 PolarHBondContact O-N 3.14Å; D73-S75 PolarHBondContact O-N 3.32Å; S75-A78 PolarHBondContact O-N 3.45Å; S75-I79 VanDerWaalsContact O-CB 3.31Å; S75-I79 WeakPolarHBondContact O-CB 3.21Å; S75-I79 WeakPolarHBondContact O-CD1 3.26Å; S75-I79 WeakPolarHBondContact O-CG1 3.21Å; S75-I79 PolarHBondContact O-N 2.8Å
76Y74.5Confident72.7Confident68 Ų6867.2 Ų67.227%0.26736%0.357SS..Hα-helixtrans-63.1-50.7174.3170.7-97.8000110.5G5 V7 V72 D73 Y74 A78 I79 K80G5-Y76 WeakPolarHBondContact O-CD2 3.49Å; V7-Y76 HydrophobicContact CG2-CD2 3.7Å; V7-Y76 HydrophobicContact CG2-CE2 4.37Å; V7-Y76 HydrophobicContact CG2-CG 4.24Å; V72-Y76 WeakPolarHBondContact O-CB 3.43Å; V72-Y76 PolarHBondContact O-N 3.44Å; D73-Y76 PolarHBondContact O-N 2.8Å; Y74-Y76 PolarHBondContact O-N 2.84Å; Y76-A78 VanDerWaalsContact C-N 3.33Å; Y76-A78 PolarHBondContact O-N 3.42Å; Y76-I79 PolarHBondContact O-N 3.4Å; Y76-K80 HydrophobicContact CE1-CD 4.12Å; Y76-K80 HydrophobicContact CE2-CD 4.08Å; Y76-K80 WeakPolarHBondContact O-CB 3.21Å; Y76-K80 PolarHBondContact O-N 2.85Å; Y76-K80 WeakPolarHBondContact OH-CD 3.31Å; Y76-K80 PolarHBondContact OH-NZ 3.41Å
77F71.3Confident70.8Confident119 Ų11966.4 Ų66.452%0.52235%0.348SS..Hα-helixtrans-62.1-42.1176.2-77.4-60.6000111.7D73 Y74 L81D73-F77 WeakPolarHBondContact O-CD2 3.42Å; D73-F77 PolarHBondContact O-N 3.41Å; D73-F77 WeakPolarHBondContact OD1-CE2 3.5Å; Y74-F77 PolarHBondContact O-N 2.91Å; F77-L81 WeakPolarHBondContact O-CA 3.5Å; F77-L81 WeakPolarHBondContact O-CB 3.35Å; F77-L81 PolarHBondContact O-N 2.76Å
78A69.7Low69Low14 Ų1467.5 Ų67.512%0.11635%0.354CS..Hα-helixtrans-64.2-45.6178.300000111.8Y74 S75 Y76 N82 I94Y74-A78 HydrophobicContact CE1-CB 4.29Å; Y74-A78 WeakPolarHBondContact O-CB 3.19Å; Y74-A78 PolarHBondContact O-N 3.16Å; S75-A78 PolarHBondContact O-N 3.45Å; Y76-A78 VanDerWaalsContact C-N 3.33Å; Y76-A78 PolarHBondContact O-N 3.42Å; A78-N82 WeakPolarHBondContact O-CB 3.34Å; A78-N82 PolarHBondContact O-N 3.25Å; A78-N82 PolarHBondContact O-ND2 3.26Å; A78-N82 PolarHBondContact O-OD1 3.44Å; A78-I94 HydrophobicContact CB-CD1 4.46Å
79I67.3Low67Low51 Ų5173.6 Ų73.626%0.26239%0.393SS..Hα-helixtrans-65.8-47.4178-71.4162000110.2I21 S75 Y76 L81 N82 S83I21-I79 HydrophobicContact CD1-CD1 4.38Å; I21-I79 HydrophobicContact CG2-CD1 3.65Å; S75-I79 VanDerWaalsContact O-CB 3.31Å; S75-I79 WeakPolarHBondContact O-CB 3.21Å; S75-I79 WeakPolarHBondContact O-CD1 3.26Å; S75-I79 WeakPolarHBondContact O-CG1 3.21Å; S75-I79 PolarHBondContact O-N 2.8Å; Y76-I79 PolarHBondContact O-N 3.4Å; I79-L81 VanDerWaalsContact C-N 3.31Å; I79-L81 PolarHBondContact O-N 3.5Å; I79-N82 PolarHBondContact O-N 3.47Å; I79-S83 VanDerWaalsContact O-CB 3.26Å; I79-S83 WeakPolarHBondContact O-CB 3.34Å; I79-S83 PolarHBondContact O-N 3.3Å
80K69.4Low64.8Low107 Ų10773.7 Ų73.747%0.46540%0.402SS..Hα-helixtrans-65.9-38.3-179.5-158.4160.7-165.2174.10111.1Y76 L84Y76-K80 HydrophobicContact CE1-CD 4.12Å; Y76-K80 HydrophobicContact CE2-CD 4.08Å; Y76-K80 WeakPolarHBondContact O-CB 3.21Å; Y76-K80 PolarHBondContact O-N 2.85Å; Y76-K80 WeakPolarHBondContact OH-CD 3.31Å; Y76-K80 PolarHBondContact OH-NZ 3.41Å; K80-L84 WeakPolarHBondContact O-CB 3.11Å; K80-L84 WeakPolarHBondContact O-CD1 3.36Å; K80-L84 WeakPolarHBondContact O-CG 3.01Å; K80-L84 PolarHBondContact O-N 3.4Å
81L68Low62.6Low85 Ų8573.9 Ų73.945%0.44541%0.407SS..Hα-helixtrans-66.4-46.2172.4-176.862.7000111.4F77 I79 S83 L84 L85F77-L81 WeakPolarHBondContact O-CA 3.5Å; F77-L81 WeakPolarHBondContact O-CB 3.35Å; F77-L81 PolarHBondContact O-N 2.76Å; I79-L81 VanDerWaalsContact C-N 3.31Å; I79-L81 PolarHBondContact O-N 3.5Å; L81-S83 VanDerWaalsContact C-N 3.31Å; L81-S83 PolarHBondContact O-N 3.45Å; L81-L84 CarbonylContact O-C 3.5Å; L81-L84 WeakPolarHBondContact O-CB 3.14Å; L81-L84 PolarHBondContact O-N 3.47Å; L81-L84 VanDerWaalsContact O-N 3.15Å; L81-L85 HydrophobicContact CD1-CD1 3.95Å; L81-L85 HydrophobicContact CD1-CG 4.14Å; L81-L85 HydrophobicContact CD2-CD1 4.46Å; L81-L85 HydrophobicContact CG-CD1 3.79Å; L81-L85 HydrophobicContact CG-CG 4.33Å; L81-L85 WeakPolarHBondContact O-CB 3.48Å; L81-L85 WeakPolarHBondContact O-CG 3.48Å; L81-L85 PolarHBondContact O-N 3.07Å
82N62Low60.5Low44 Ų4478.6 Ų78.624%0.23543%0.429CS..Hα-helixtrans-63-38.9178.1-73.6-18.1000111.5A78 I79 L85 N86 L87A78-N82 WeakPolarHBondContact O-CB 3.34Å; A78-N82 PolarHBondContact O-N 3.25Å; A78-N82 PolarHBondContact O-ND2 3.26Å; A78-N82 PolarHBondContact O-OD1 3.44Å; I79-N82 PolarHBondContact O-N 3.47Å; N82-L85 CarbonylContact O-C 3.55Å; N82-L85 PolarHBondContact O-N 2.74Å; N82-N86 CarbonylContact O-C 3.57Å; N82-N86 WeakPolarHBondContact O-CA 3.2Å; N82-N86 PolarHBondContact O-N 3.32Å; N82-L87 HydrophobicContact CB-CB 4.21Å; N82-L87 PolarHBondContact O-N 3.32Å; N82-L87 WeakPolarHBondContact OD1-CD1 3.49Å
83S62.4Low58.3Low80 Ų8083.3 Ų83.356%0.55946%0.458SS*.Hα-helixtrans-64.9-42.7172.7175.60000111.1I79 L81 L85 N86I79-S83 VanDerWaalsContact O-CB 3.26Å; I79-S83 WeakPolarHBondContact O-CB 3.34Å; I79-S83 PolarHBondContact O-N 3.3Å; L81-S83 VanDerWaalsContact C-N 3.31Å; L81-S83 PolarHBondContact O-N 3.45Å; S83-L85 VanDerWaalsContact C-N 3.25Å; S83-L85 PolarHBondContact O-N 2.97Å; S83-N86 PolarHBondContact O-N 3.18Å; S83-N86 PolarHBondContact O-OD1 3Å; S83-N86 VanDerWaalsContact O-OD1 3.08Å
84L58.8Low56.1Low113 Ų11383.1 Ų83.159%0.59246%0.456SS*.Hα-helixtrans-65-29.6173.4-73.7169.1000112.9K80 L81K80-L84 WeakPolarHBondContact O-CB 3.11Å; K80-L84 WeakPolarHBondContact O-CD1 3.36Å; K80-L84 WeakPolarHBondContact O-CG 3.01Å; K80-L84 PolarHBondContact O-N 3.4Å; L81-L84 CarbonylContact O-C 3.5Å; L81-L84 WeakPolarHBondContact O-CB 3.14Å; L81-L84 PolarHBondContact O-N 3.47Å; L81-L84 VanDerWaalsContact O-N 3.15Å
85L65Low54.1Low59 Ų5984.3 Ų84.331%0.30947%0.469SS..THydrogen-bonded Turntrans-91.6-3.9177.5-64.6176.1000112.9L81 N82 S83 L87L81-L85 HydrophobicContact CD1-CD1 3.95Å; L81-L85 HydrophobicContact CD1-CG 4.14Å; L81-L85 HydrophobicContact CD2-CD1 4.46Å; L81-L85 HydrophobicContact CG-CD1 3.79Å; L81-L85 HydrophobicContact CG-CG 4.33Å; L81-L85 WeakPolarHBondContact O-CB 3.48Å; L81-L85 WeakPolarHBondContact O-CG 3.48Å; L81-L85 PolarHBondContact O-N 3.07Å; N82-L85 CarbonylContact O-C 3.55Å; N82-L85 PolarHBondContact O-N 2.74Å; S83-L85 VanDerWaalsContact C-N 3.25Å; S83-L85 PolarHBondContact O-N 2.97Å; L85-L87 HydrophobicContact CB-CD1 3.82Å; L85-L87 HydrophobicContact CB-CG 4.02Å; L85-L87 HydrophobicContact CD1-CD1 3.82Å; L85-L87 HydrophobicContact CG-CD1 4.5Å; L85-L87 PolarHBondContact O-N 2.92Å
86N59.3Low52.2Low42 Ų4290.2 Ų90.223%0.22550%0.497CS..THydrogen-bonded Turntrans49.232.7-171.1-68-42.1000114.5N82 S83 L107N82-N86 CarbonylContact O-C 3.57Å; N82-N86 WeakPolarHBondContact O-CA 3.2Å; N82-N86 PolarHBondContact O-N 3.32Å; S83-N86 PolarHBondContact O-N 3.18Å; S83-N86 PolarHBondContact O-OD1 3Å; S83-N86 VanDerWaalsContact O-OD1 3.08Å; N86-L107 HydrophobicContact CB-CB 3.39Å; N86-L107 WeakPolarHBondContact CB-O 3.47Å; N86-L107 PolarHBondContact ND2-O 3.19Å; N86-L107 VanDerWaalsContact O-CB 3.3Å; N86-L107 WeakPolarHBondContact O-CB 3.34Å; N86-L107 WeakPolarHBondContact O-CD2 3.46Å
87L43.9Very low49.9Very low79 Ų7995.2 Ų95.241%0.41452%0.521SS..  trans-70.6134.6173.5-71.8158000109.3N82 L85N82-L87 HydrophobicContact CB-CB 4.21Å; N82-L87 PolarHBondContact O-N 3.32Å; N82-L87 WeakPolarHBondContact OD1-CD1 3.49Å; L85-L87 HydrophobicContact CB-CD1 3.82Å; L85-L87 HydrophobicContact CB-CG 4.02Å; L85-L87 HydrophobicContact CD1-CD1 3.82Å; L85-L87 HydrophobicContact CG-CD1 4.5Å; L85-L87 PolarHBondContact O-N 2.92Å
88P44.1Very low47.9Very low83 Ų8394.6 Ų94.654%0.53953%0.527SS..  trans-58.8144.1171.724.1-31.4000109.3S90P88-S90 PolarHBondContact O-N 2.69Å
89P43.2Very low46.1Very low128 Ų128102.1 Ų102.183%0.83156%0.559SS**  trans-70.671.2178.428.5-32.6000109.7T91P89-T91 PolarHBondContact O-N 3.21Å
90S38.2Very low44.3Very low94 Ų94109.4 Ų109.466%0.65759%0.589SS**  trans-76.6113.8169.952.20000107.4P88 N92P88-S90 PolarHBondContact O-N 2.69Å; S90-N92 PolarHBondContact O-N 2.91Å
91T33.2Very low42.4Very low115 Ų115113.3 Ų113.371%0.70661%0.609SS**SBendtrans-46.7107.2160.3-350000107.4P89P89-T91 PolarHBondContact O-N 3.21Å
92N35.5Very low40.6Very low139 Ų139118.8 Ų118.874%0.74363%0.629SS**SBendtrans156.9101152.7-76.4-27.7000108.6S90S90-N92 PolarHBondContact O-N 2.91Å
93T32.7Very low39.1Very low107 Ų107124 Ų12466%0.65666%0.657SS**  trans21111.4141.9-50.40000114.6I95T93-I95 HydrophobicContact CG2-CG1 4.4Å; T93-I95 PolarHBondContact O-N 3.47Å
94I33.5Very low38.2Very low78 Ų78124.9 Ų124.940%0.466%0.661SS.*  trans-56.790163.3-55.9168.1000106.5Y74 A78 L96Y74-I94 WeakPolarHBondContact OH-CB 3.2Å; A78-I94 HydrophobicContact CB-CD1 4.46Å; I94-L96 HydrophobicContact CG2-CD2 4.41Å; I94-L96 HydrophobicContact CG2-CG 4.03Å; I94-L96 PolarHBondContact O-N 3.21Å
95I31.3Very low37.6Very low137 Ų137124.5 Ų124.570%0.70366%0.663SS**  trans-68.486.7162.9-64.7176.1000103.7T93 K97T93-I95 HydrophobicContact CG2-CG1 4.4Å; T93-I95 PolarHBondContact O-N 3.47Å; I95-K97 HydrophobicContact CG2-CB 4.01Å; I95-K97 PolarHBondContact O-N 2.74Å
96L32.1Very low37.3Very low152 Ų152123.9 Ų123.980%0.79666%0.659SS**  trans-56.890.9155-77.2167000106.3I94I94-L96 HydrophobicContact CG2-CD2 4.41Å; I94-L96 HydrophobicContact CG2-CG 4.03Å; I94-L96 PolarHBondContact O-N 3.21Å
97K27.7Very low38Very low174 Ų174124.6 Ų124.676%0.75766%0.662SS**  trans-158.6105.4159.9-106.8161.6-168.6-175.60111.6I95I95-K97 HydrophobicContact CG2-CB 4.01Å; I95-K97 PolarHBondContact O-N 2.74Å
98T27.9Very low39.8Very low106 Ų106121 Ų12165%0.6564%0.643SS**  trans86.7103.9133-24.40000117.8
99E32.1Very low41.6Very low172 Ų172120.7 Ų120.780%0.80464%0.637SS**  trans51.487.2135-56.9175.4179.800118.1
100K29.4Very low43.5Very low203 Ų203119.2 Ų119.288%0.88362%0.622SS**  168.7118.1121.2-95.9170.3178.9177.10109.9
101Q31Very low45.7Very low190 Ų190116.4 Ų116.489%0.88861%0.607SS**  trans19.4102.4152.4-65.7-178.514.800117
102K29Very low48.3Very low200 Ų200113.1 Ų113.187%0.8759%0.586SS**  -156.8117.2126.1-104.4172.5-177.2-172.70105.5
103N31Very low51Low153 Ų153107.7 Ų107.782%0.81856%0.556SS**  trans-50.9136.6173.9-89.9-17.2000108.5V105N103-V105 PolarHBondContact O-N 3.25Å
104P43.7Very low53.9Low99 Ų99102.6 Ų102.664%0.64353%0.525SS*.  trans-55.7124-177.222.6-32.1000109.3Q106P104-Q106 PolarHBondContact O-N 2.79Å
105V46.8Very low56.9Low105 Ų10598.9 Ų98.964%0.63651%0.506SS*.  trans-71.7115.4178.7179.40000107.3N103N103-V105 PolarHBondContact O-N 3.25Å
106Q58.3Low60Low46 Ų4692.3 Ų92.322%0.21547%0.473CS..  trans-71.1126.1174.1179.4168.50.900109.8P104 W108 N159P104-Q106 PolarHBondContact O-N 2.79Å; Q106-W108 HydrophobicContact CG-CD2 4.47Å; Q106-W108 HydrophobicContact CG-CZ2 4.12Å; Q106-N159 PolarHBondContact NE2-ND2 3.25Å; Q106-N159 PolarHBondContact NE2-OD1 3.29Å; Q106-N159 PolarHBondContact OE1-ND2 2.77Å
107L73.1Confident63.2Low56 Ų5686.9 Ų86.929%0.29345%0.445SS..  trans-87150.3168.5-107.576.9000110.3N86 Y134N86-L107 HydrophobicContact CB-CB 3.39Å; N86-L107 WeakPolarHBondContact CB-O 3.47Å; N86-L107 PolarHBondContact ND2-O 3.19Å; N86-L107 VanDerWaalsContact O-CB 3.3Å; N86-L107 WeakPolarHBondContact O-CB 3.34Å; N86-L107 WeakPolarHBondContact O-CD2 3.46Å; L107-Y134 HydrophobicContact CD1-CE1 4.31Å; L107-Y134 HydrophobicContact CG-CE1 3.82Å; L107-Y134 WeakPolarHBondContact CG-OH 3.32Å
108W82.3Confident66.5Low4 Ų481.2 Ų81.22%0.01542%0.419CS..  trans-135.9129.4-176.6-72.4110.1000110.8Q106 D112 C114 I129 T132 Y134 F139 L157 Y158Q106-W108 HydrophobicContact CG-CD2 4.47Å; Q106-W108 HydrophobicContact CG-CZ2 4.12Å; W108-D112 HydrophobicContact CE3-CB 4.24Å; W108-C114 HydrophobicContact CE3-CB 4.13Å; W108-C114 HydrophobicContact CH2-CB 3.38Å; W108-C114 HydrophobicContact CZ2-CB 4.13Å; W108-C114 HydrophobicContact CZ3-CB 3.4Å; W108-I129 HydrophobicContact CB-CD1 3.48Å; W108-I129 VanDerWaalsContact CB-CD1 3.48Å; W108-I129 HydrophobicContact CD2-CD1 3.61Å; W108-I129 HydrophobicContact CE3-CD1 3.38Å; W108-I129 HydrophobicContact CG-CD1 3.7Å; W108-I129 HydrophobicContact CZ3-CD1 4.28Å; W108-T132 WeakPolarHBondContact O-CG2 3.37Å; W108-Y134 VanDerWaalsContact C-OH 3.28Å; W108-Y134 PolarHBondContact N-OH 3.09Å; W108-Y134 PolarHBondContact O-OH 2.95Å; W108-F139 HydrophobicContact CB-CD1 3.88Å; W108-F139 HydrophobicContact CB-CE1 3.62Å; W108-F139 HydrophobicContact CG-CD1 4.43Å; W108-F139 HydrophobicContact CG-CE1 4.25Å; W108-L157 HydrophobicContact CD2-CB 4.34Å; W108-L157 HydrophobicContact CD2-CD1 4.03Å; W108-L157 VanDerWaalsContact CE2-CB 3.4Å; W108-L157 HydrophobicContact CG-CD1 3.92Å; W108-L157 HydrophobicContact CH2-CB 4.23Å; W108-L157 HydrophobicContact CZ2-CB 3.33Å; W108-Y158 WeakPolarHBondContact CH2-O 3.49Å
109N82.2Confident69.8Low77 Ų7779.8 Ų79.841%0.41241%0.414SS..  trans-107.9158.3179.3-62.8-61.1000112.2G111 D112 I129N109-G111 PolarHBondContact O-N 2.77Å; N109-D112 WeakPolarHBondContact CB-OD2 3.15Å; N109-D112 PolarHBondContact N-OD2 3.21Å; N109-D112 WeakPolarHBondContact O-CB 3.36Å; N109-D112 PolarHBondContact O-N 3.08Å; N109-D112 VanDerWaalsContact O-N 3.08Å; N109-I129 WeakPolarHBondContact O-CB 2.97Å
110N81.9Confident72.8Confident97 Ų9779 Ų7952%0.51941%0.41SS..THydrogen-bonded Turntrans-59.7126.7169.9-62.7-7.1000108.9L130 T131 T132N110-L130 VanDerWaalsContact CG-O 3.27Å; N110-L130 PolarHBondContact OD1-O 2.97Å; N110-T131 WeakPolarHBondContact OD1-CA 3.48Å; N110-T132 PolarHBondContact OD1-N 3.43Å
111G85.9Confident76Confident34 Ų3472.7 Ų72.735%0.35139%0.386SS..THydrogen-bonded Turntrans101.5-20.3-176.700000114.6N109 I129N109-G111 PolarHBondContact O-N 2.77Å; G111-I129 PolarHBondContact N-O 3.08Å
112D86.9Confident79.1Confident47 Ų4771.1 Ų71.125%0.25138%0.379SS..  trans-62.5145.6178.6-71.7-11.2000111W108 N109 K128 I129W108-D112 HydrophobicContact CE3-CB 4.24Å; N109-D112 WeakPolarHBondContact CB-OD2 3.15Å; N109-D112 PolarHBondContact N-OD2 3.21Å; N109-D112 WeakPolarHBondContact O-CB 3.36Å; N109-D112 PolarHBondContact O-N 3.08Å; N109-D112 VanDerWaalsContact O-N 3.08Å; D112-K128 WeakPolarHBondContact O-CA 3.43Å; D112-I129 HydrophobicContact CB-CD1 4.36Å; D112-I129 PolarHBondContact O-N 2.76Å
113I93.1Very high82.3Confident24 Ų2463.1 Ų63.112%0.12335%0.35CS..EExtended strand (participates in β ladder)trans-95.3131.7171.1-52.8-59.7000108.4Y126 A127 K128 I160 V180I113-Y126 HydrophobicContact CG2-CD1 4.02Å; I113-A127 CarbonylContact C-O 3.57Å; I113-A127 WeakPolarHBondContact CA-O 3.45Å; I113-K128 HydrophobicContact CD1-CB 3.76Å; I113-K128 HydrophobicContact CD1-CD 4.45Å; I113-K128 HydrophobicContact CD1-CG 3.97Å; I113-I160 HydrophobicContact CB-CG2 4.01Å; I113-I160 HydrophobicContact CG2-CG2 3.66Å; I113-I160 WeakPolarHBondContact O-CG2 3.33Å; I113-V180 HydrophobicContact CD1-CG1 4.45Å
114C93.3Very high85.5Confident0 Ų058.6 Ų58.60%032%0.322CS..EExtended strand (participates in β ladder)trans-124.8167.517663.80000110.8W108 Y126 A127 L157 Y158W108-C114 HydrophobicContact CE3-CB 4.13Å; W108-C114 HydrophobicContact CH2-CB 3.38Å; W108-C114 HydrophobicContact CZ2-CB 4.13Å; W108-C114 HydrophobicContact CZ3-CB 3.4Å; C114-Y126 CarbonylContact O-C 3.58Å; C114-Y126 VanDerWaalsContact O-CA 3.32Å; C114-Y126 WeakPolarHBondContact O-CA 3.39Å; C114-A127 PolarHBondContact N-O 3.46Å; C114-A127 PolarHBondContact O-N 3.34Å; C114-A127 PolarHBondContact SG-O 2.8Å; C114-L157 HydrophobicContact CB-CB 4.45Å; C114-L157 HydrophobicContact CB-CD2 4.5Å; C114-Y158 CarbonylContact C-O 3.6Å
115I95.8Very high88.1Confident0 Ų055 Ų550%030%0.296CS..EExtended strand (participates in β ladder)trans-106.6129.2164.4-62.3171.4000107.1Y124 Y125 Y126 Y158 N159 F164 E165 V168I115-Y124 HydrophobicContact CG2-CD1 3.8Å; I115-Y124 HydrophobicContact CG2-CG 4.47Å; I115-Y125 WeakPolarHBondContact CA-O 3.43Å; I115-Y126 HydrophobicContact CD1-CD1 4.42Å; I115-Y126 HydrophobicContact CD1-CE1 3.72Å; I115-Y126 HydrophobicContact CG1-CD1 3.59Å; I115-Y126 HydrophobicContact CG1-CE1 3.38Å; I115-Y158 PolarHBondContact N-O 3.46Å; I115-Y158 WeakPolarHBondContact O-CD2 3.48Å; I115-Y158 PolarHBondContact O-N 3Å; I115-N159 WeakPolarHBondContact CD1-O 3.29Å; I115-F164 HydrophobicContact CD1-CB 4.38Å; I115-F164 HydrophobicContact CG2-CB 4.08Å; I115-E165 HydrophobicContact CD1-CB 3.99Å; I115-V168 HydrophobicContact CD1-CG2 4.19Å; I115-V168 HydrophobicContact CG1-CG2 4.18Å; I115-V168 HydrophobicContact CG2-CG2 3.79Å
116C97.1Very high90.5Very high0 Ų050.5 Ų50.50%027%0.267CS..EExtended strand (participates in β ladder)trans-151.1165.6172.262.30000110.1Y125 K152 D156 L157C116-Y125 PolarHBondContact N-O 2.78Å; C116-Y125 PolarHBondContact O-N 3.39Å; C116-K152 HydrophobicContact CB-CG 4.47Å; C116-D156 WeakPolarHBondContact CB-O 3.25Å; C116-L157 HydrophobicContact CB-CD2 3.82Å
117T97.9Very high92.3Very high37 Ų3748.3 Ų48.323%0.22726%0.257CS..EExtended strand (participates in β ladder)trans-78.2147.9175.154.90000111.1E122 A123 Y124 F143 K152T117-E122 WeakPolarHBondContact CG2-O 3.32Å; T117-A123 CarbonylContact C-O 3.52Å; T117-A123 WeakPolarHBondContact CA-O 3.33Å; T117-Y124 HydrophobicContact CG2-CD1 3.93Å; T117-Y124 HydrophobicContact CG2-CD2 4.13Å; T117-Y124 HydrophobicContact CG2-CE1 3.76Å; T117-Y124 HydrophobicContact CG2-CE2 3.95Å; T117-Y124 HydrophobicContact CG2-CG 4.13Å; T117-F143 WeakPolarHBondContact O-CZ 3.36Å; T117-K152 WeakPolarHBondContact O-CE 3.37Å; T117-K152 PolarHBondContact O-NZ 2.91Å
118W97.7Very high93.4Very high55 Ų5549.6 Ų49.621%0.20826%0.26CS..  trans-87.5134.9164.8-177.935.7000109.6E120 D121 E122 A123 Y125 F143W118-E120 HydrophobicContact CD2-CB 3.89Å; W118-E120 HydrophobicContact CE3-CB 4.08Å; W118-E120 HydrophobicContact CH2-CB 3.78Å; W118-E120 HydrophobicContact CH2-CG 4.1Å; W118-E120 VanDerWaalsContact CH2-OE2 3.29Å; W118-E120 WeakPolarHBondContact CH2-OE2 3.41Å; W118-E120 HydrophobicContact CZ2-CB 3.57Å; W118-E120 HydrophobicContact CZ2-CG 4.2Å; W118-E120 WeakPolarHBondContact CZ2-OE2 3.3Å; W118-E120 HydrophobicContact CZ3-CB 4.03Å; W118-E120 PolarHBondContact O-N 2.79Å; W118-D121 HydrophobicContact CE3-CB 4.5Å; W118-E122 VanDerWaalsContact O-CA 3.23Å; W118-E122 WeakPolarHBondContact O-CA 3.35Å; W118-E122 PolarHBondContact O-N 3.15Å; W118-A123 PolarHBondContact N-O 3.26Å; W118-Y125 HydrophobicContact CB-CD2 3.73Å; W118-Y125 HydrophobicContact CB-CE2 3.85Å; W118-Y125 HydrophobicContact CE3-CE2 4.3Å; W118-F143 HydrophobicContact CB-CE1 4.02Å; W118-F143 HydrophobicContact CB-CE2 4.14Å; W118-F143 HydrophobicContact CB-CZ 3.78Å; W118-F143 AromaticContact CD1-CE2 3.47Å; W118-F143 VanDerWaalsContact CD1-CE2 3.47Å; W118-F143 AromaticContact CD1-CZ 3.95Å; W118-F143 HydrophobicContact CG-CD2 4.43Å; W118-F143 HydrophobicContact CG-CE2 4.03Å; W118-F143 HydrophobicContact CG-CZ 4.18Å
119S96.6Very high93.9Very high77 Ų7749.5 Ų49.554%0.53826%0.26SS..THydrogen-bonded Turntrans-65.6-21.7-173.5580000114.8E150S119-E150 VanDerWaalsContact CB-OE1 3.23Å; S119-E150 WeakPolarHBondContact CB-OE1 3.39Å; S119-E150 PolarHBondContact N-OE2 3.49Å; S119-E150 PolarHBondContact OG-OE1 3Å; S119-E150 PolarHBondContact OG-OE2 2.89Å
120E96.5Very high94.3Very high154 Ų15449.3 Ų49.372%0.7226%0.259SS*.THydrogen-bonded Turntrans-76.9-36.7-174.1-169.3166.5164.600112.7W118W118-E120 HydrophobicContact CD2-CB 3.89Å; W118-E120 HydrophobicContact CE3-CB 4.08Å; W118-E120 HydrophobicContact CH2-CB 3.78Å; W118-E120 HydrophobicContact CH2-CG 4.1Å; W118-E120 VanDerWaalsContact CH2-OE2 3.29Å; W118-E120 WeakPolarHBondContact CH2-OE2 3.41Å; W118-E120 HydrophobicContact CZ2-CB 3.57Å; W118-E120 HydrophobicContact CZ2-CG 4.2Å; W118-E120 WeakPolarHBondContact CZ2-OE2 3.3Å; W118-E120 HydrophobicContact CZ3-CB 4.03Å; W118-E120 PolarHBondContact O-N 2.79Å
121D95.9Very high94.5Very high71 Ų7148.2 Ų48.238%0.3826%0.255SS..THydrogen-bonded Turntrans-124.3-2.5-177.266.26.1000114.6W118 A123 Y125W118-D121 HydrophobicContact CE3-CB 4.5Å; D121-A123 PolarHBondContact O-N 3.42Å; D121-A123 VanDerWaalsContact O-N 3.09Å; D121-A123 WeakPolarHBondContact OD1-CB 3.23Å; D121-A123 PolarHBondContact OD1-N 2.9Å; D121-Y125 PolarHBondContact OD2-OH 2.87Å
122E95.3Very high94.6Very high158 Ų15848.7 Ų48.774%0.73825%0.251SS*.  trans60.112.1-178.1-54.6-179.1173.800114.3T117 W118T117-E122 WeakPolarHBondContact CG2-O 3.32Å; W118-E122 VanDerWaalsContact O-CA 3.23Å; W118-E122 WeakPolarHBondContact O-CA 3.35Å; W118-E122 PolarHBondContact O-N 3.15Å
123A96.9Very high94.6Very high31 Ų3149.2 Ų49.226%0.25625%0.254SS..  trans-82.7152.5178.800000111.3T117 W118 D121 Y125T117-A123 CarbonylContact C-O 3.52Å; T117-A123 WeakPolarHBondContact CA-O 3.33Å; W118-A123 PolarHBondContact N-O 3.26Å; D121-A123 PolarHBondContact O-N 3.42Å; D121-A123 VanDerWaalsContact O-N 3.09Å; D121-A123 WeakPolarHBondContact OD1-CB 3.23Å; D121-A123 PolarHBondContact OD1-N 2.9Å; A123-Y125 HydrophobicContact CB-CE2 3.69Å; A123-Y125 WeakPolarHBondContact O-CD2 3.48Å; A123-Y125 WeakPolarHBondContact O-CE2 3.34Å
124Y97.9Very high94Very high58 Ų5852.8 Ų52.823%0.22727%0.267CS..EExtended strand (participates in β ladder)trans-83.6132.1-179.1-72.4-92000111.6I115 T117 Y158 F164 Y167 V168I115-Y124 HydrophobicContact CG2-CD1 3.8Å; I115-Y124 HydrophobicContact CG2-CG 4.47Å; T117-Y124 HydrophobicContact CG2-CD1 3.93Å; T117-Y124 HydrophobicContact CG2-CD2 4.13Å; T117-Y124 HydrophobicContact CG2-CE1 3.76Å; T117-Y124 HydrophobicContact CG2-CE2 3.95Å; T117-Y124 HydrophobicContact CG2-CG 4.13Å; Y124-Y158 HydrophobicContact CE1-CD2 4.07Å; Y124-Y158 AromaticContact CE1-CE2 3.78Å; Y124-Y158 HydrophobicContact CE1-CE2 3.78Å; Y124-F164 HydrophobicContact CD1-CD1 4.16Å; Y124-F164 AromaticContact CE1-CD1 3.42Å; Y124-F164 HydrophobicContact CE1-CD1 3.42Å; Y124-F164 VanDerWaalsContact CE1-CD1 3.42Å; Y124-F164 AromaticContact CE1-CE1 3.93Å; Y124-F164 HydrophobicContact CE1-CE1 3.93Å; Y124-F164 HydrophobicContact CE1-CG 4.41Å; Y124-F164 AromaticContact CZ-CD1 3.74Å; Y124-F164 AromaticContact CZ-CE1 3.94Å; Y124-F164 WeakPolarHBondContact OH-CE1 3.34Å; Y124-Y167 HydrophobicContact CD2-CG 4.33Å; Y124-Y167 HydrophobicContact CE2-CG 4.48Å; Y124-V168 WeakPolarHBondContact O-CA 3.22Å
125Y98Very high93.5Very high25 Ų2561.3 Ų61.310%0.09831%0.307CS..EExtended strand (participates in β ladder)trans-135.3153.5179.5-66.8-85.5000111I115 C116 W118 D121 A123 F143 Y146 D170 N173I115-Y125 WeakPolarHBondContact CA-O 3.43Å; C116-Y125 PolarHBondContact N-O 2.78Å; C116-Y125 PolarHBondContact O-N 3.39Å; W118-Y125 HydrophobicContact CB-CD2 3.73Å; W118-Y125 HydrophobicContact CB-CE2 3.85Å; W118-Y125 HydrophobicContact CE3-CE2 4.3Å; D121-Y125 PolarHBondContact OD2-OH 2.87Å; A123-Y125 HydrophobicContact CB-CE2 3.69Å; A123-Y125 WeakPolarHBondContact O-CD2 3.48Å; A123-Y125 WeakPolarHBondContact O-CE2 3.34Å; Y125-F143 HydrophobicContact CD2-CD1 4.46Å; Y125-F143 HydrophobicContact CD2-CE1 4.49Å; Y125-F143 HydrophobicContact CG-CD1 4.2Å; Y125-Y146 HydrophobicContact CD1-CE2 4.44Å; Y125-Y146 HydrophobicContact CE1-CE2 4.03Å; Y125-D170 HydrophobicContact CD1-CB 4.15Å; Y125-D170 HydrophobicContact CE1-CB 3.7Å; Y125-N173 HydrophobicContact CD1-CB 3.96Å
126Y97.2Very high93Very high10 Ų1066.1 Ų66.14%0.03933%0.332CS..EExtended strand (participates in β ladder)trans-71.9134161.3-71.5-63.5000110.4I113 C114 I115 C144 I160 E165 V168 N173 K174 A177I113-Y126 HydrophobicContact CG2-CD1 4.02Å; C114-Y126 CarbonylContact O-C 3.58Å; C114-Y126 VanDerWaalsContact O-CA 3.32Å; C114-Y126 WeakPolarHBondContact O-CA 3.39Å; I115-Y126 HydrophobicContact CD1-CD1 4.42Å; I115-Y126 HydrophobicContact CD1-CE1 3.72Å; I115-Y126 HydrophobicContact CG1-CD1 3.59Å; I115-Y126 HydrophobicContact CG1-CE1 3.38Å; Y126-C144 WeakPolarHBondContact O-CB 3.43Å; Y126-C144 PolarHBondContact O-N 2.93Å; Y126-C144 PolarHBondContact O-SG 3.44Å; Y126-I160 HydrophobicContact CD1-CB 4.49Å; Y126-I160 HydrophobicContact CD1-CG2 3.83Å; Y126-I160 HydrophobicContact CE1-CB 3.78Å; Y126-I160 HydrophobicContact CE1-CG2 3.62Å; Y126-E165 VanDerWaalsContact OH-CD 3.32Å; Y126-E165 VanDerWaalsContact OH-CG 3.31Å; Y126-E165 WeakPolarHBondContact OH-CG 3.33Å; Y126-E165 PolarHBondContact OH-OE1 3.08Å; Y126-V168 HydrophobicContact CD2-CG1 3.97Å; Y126-V168 HydrophobicContact CE2-CB 4.5Å; Y126-V168 HydrophobicContact CE2-CG1 4.12Å; Y126-N173 WeakPolarHBondContact CB-OD1 3.33Å; Y126-N173 PolarHBondContact N-OD1 3.13Å; Y126-N173 PolarHBondContact O-ND2 3.43Å; Y126-K174 HydrophobicContact CD2-CG 4.16Å; Y126-K174 HydrophobicContact CE2-CB 4.5Å; Y126-K174 HydrophobicContact CE2-CG 3.91Å; Y126-A177 HydrophobicContact CD2-CB 3.8Å; Y126-A177 HydrophobicContact CG-CB 3.7Å
127A97.3Very high92.6Very high0 Ų069.1 Ų69.10%035%0.349CS..EExtended strand (participates in β ladder)trans-135.1152.8175.300000110.7I113 C114 V141 S142 F143I113-A127 CarbonylContact C-O 3.57Å; I113-A127 WeakPolarHBondContact CA-O 3.45Å; C114-A127 PolarHBondContact N-O 3.46Å; C114-A127 PolarHBondContact O-N 3.34Å; C114-A127 PolarHBondContact SG-O 2.8Å; A127-V141 HydrophobicContact CB-CB 3.89Å; A127-V141 HydrophobicContact CB-CG2 4.02Å; A127-S142 CarbonylContact C-O 3.55Å; A127-S142 VanDerWaalsContact CA-O 3.25Å; A127-S142 WeakPolarHBondContact CA-O 3.48Å; A127-F143 HydrophobicContact CB-CD1 3.9Å; A127-F143 HydrophobicContact CB-CE1 4.22Å; A127-F143 HydrophobicContact CB-CG 4.42Å
128K95Very high92.3Very high83 Ų8370.2 Ų70.236%0.36135%0.352SS..EExtended strand (participates in β ladder)trans-101.3130.5173.7-176.8176.8-178.2179.10109.5D112 I113 L130 V141 S142D112-K128 WeakPolarHBondContact O-CA 3.43Å; I113-K128 HydrophobicContact CD1-CB 3.76Å; I113-K128 HydrophobicContact CD1-CD 4.45Å; I113-K128 HydrophobicContact CD1-CG 3.97Å; K128-L130 PolarHBondContact O-N 3.04Å; K128-V141 CarbonylContact O-C 3.55Å; K128-V141 WeakPolarHBondContact O-CA 3.4Å; K128-S142 PolarHBondContact N-O 3.01Å; K128-S142 PolarHBondContact O-N 2.92Å
129I93.2Very high92Very high1 Ų167.6 Ų67.61%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-73.5121.6175.7-58.7-174.2000108.9W108 N109 G111 D112 T132 V141 L157W108-I129 HydrophobicContact CB-CD1 3.48Å; W108-I129 VanDerWaalsContact CB-CD1 3.48Å; W108-I129 HydrophobicContact CD2-CD1 3.61Å; W108-I129 HydrophobicContact CE3-CD1 3.38Å; W108-I129 HydrophobicContact CG-CD1 3.7Å; W108-I129 HydrophobicContact CZ3-CD1 4.28Å; N109-I129 WeakPolarHBondContact O-CB 2.97Å; G111-I129 PolarHBondContact N-O 3.08Å; D112-I129 HydrophobicContact CB-CD1 4.36Å; D112-I129 PolarHBondContact O-N 2.76Å; I129-T132 HydrophobicContact CG2-CG2 3.51Å; I129-V141 HydrophobicContact CG1-CG1 4.14Å; I129-L157 HydrophobicContact CD1-CD1 4.07Å
130L90.2Very high92Very high74 Ų7465.1 Ų65.139%0.38732%0.324SS..EExtended strand (participates in β ladder)trans-90.8-49178.7-59-173.2000111.2N110 K128 T140 V149N110-L130 VanDerWaalsContact CG-O 3.27Å; N110-L130 PolarHBondContact OD1-O 2.97Å; K128-L130 PolarHBondContact O-N 3.04Å; L130-T140 HydrophobicContact CB-CG2 4.41Å; L130-T140 WeakPolarHBondContact CB-O 3.45Å; L130-T140 HydrophobicContact CD1-CG2 4.35Å; L130-T140 PolarHBondContact N-O 3.47Å; L130-V149 HydrophobicContact CD1-CG1 4.35Å; L130-V149 HydrophobicContact CD1-CG2 4.03Å
131T87.7Confident92.1Very high73 Ų7357.8 Ų57.845%0.44829%0.29SS..EExtended strand (participates in β ladder)trans-141.1149.6179.763.90000111.2N110 T140N110-T131 WeakPolarHBondContact OD1-CA 3.48Å; T131-T140 PolarHBondContact N-O 3.31Å; T131-T140 PolarHBondContact O-N 2.93Å; T131-T140 VanDerWaalsContact OG1-CB 3.23Å; T131-T140 WeakPolarHBondContact OG1-CB 3.25Å; T131-T140 PolarHBondContact OG1-OG1 3.36Å; T131-T140 VanDerWaalsContact OG1-OG1 3.09Å
132T87.6Confident92.2Very high44 Ų4455.4 Ų55.427%0.2728%0.279SS..EExtended strand (participates in β ladder)trans-123.3131.8176.560.60000111.1W108 N110 I129 Y134 F139W108-T132 WeakPolarHBondContact O-CG2 3.37Å; N110-T132 PolarHBondContact OD1-N 3.43Å; I129-T132 HydrophobicContact CG2-CG2 3.51Å; T132-Y134 HydrophobicContact CG2-CE2 4.49Å; T132-F139 HydrophobicContact CG2-CD1 3.51Å; T132-F139 HydrophobicContact CG2-CE1 3.71Å
133D86.2Confident92.3Very high59 Ų5948.1 Ų48.132%0.31625%0.245SC..EExtended strand (participates in β ladder)trans-12692.7169.2179.2-8.1000108E135 N136 D137 I138D133-E135 VanDerWaalsContact C-N 3.33Å; D133-E135 PolarHBondContact OD1-N 2.83Å; D133-N136 PolarHBondContact OD1-N 2.68Å; D133-N136 VanDerWaalsContact OD1-N 3.13Å; D133-N136 PolarHBondContact OD1-ND2 3.2Å; D133-N136 PolarHBondContact OD2-ND2 2.75Å; D133-D137 PolarHBondContact O-N 2.72Å; D133-I138 HydrophobicContact CB-CB 4.3Å; D133-I138 PolarHBondContact N-O 2.82Å; D133-I138 PolarHBondContact O-N 2.97Å
134Y81.7Confident92.2Very high98 Ų9847.1 Ų47.138%0.38424%0.236SC..THydrogen-bonded Turntrans-71.1-27.5-178.5-77.7-85.3000113.7L107 W108 T132 N136 F139L107-Y134 HydrophobicContact CD1-CE1 4.31Å; L107-Y134 HydrophobicContact CG-CE1 3.82Å; L107-Y134 WeakPolarHBondContact CG-OH 3.32Å; W108-Y134 VanDerWaalsContact C-OH 3.28Å; W108-Y134 PolarHBondContact N-OH 3.09Å; W108-Y134 PolarHBondContact O-OH 2.95Å; T132-Y134 HydrophobicContact CG2-CE2 4.49Å; Y134-N136 VanDerWaalsContact C-N 3.26Å; Y134-N136 PolarHBondContact O-N 2.55Å; Y134-F139 HydrophobicContact CD1-CE1 4.5Å; Y134-F139 AromaticContact CD1-CZ 3.97Å; Y134-F139 HydrophobicContact CD1-CZ 3.97Å; Y134-F139 HydrophobicContact CE1-CE1 4.06Å; Y134-F139 AromaticContact CE1-CZ 3.81Å; Y134-F139 HydrophobicContact CE1-CZ 3.81Å; Y134-F139 HydrophobicContact CE2-CE1 4.4Å
135E81.3Confident92.1Very high180 Ų18049.2 Ų49.284%0.84125%0.246SC*.THydrogen-bonded Turntrans-66-38.3-179.7-173.4175.417800110D133D133-E135 VanDerWaalsContact C-N 3.33Å; D133-E135 PolarHBondContact OD1-N 2.83Å
136N85.1Confident91.9Very high100 Ų10052.9 Ų52.954%0.53526%0.261SS..THydrogen-bonded Turntrans-100.90.2-179.2-60.8-64.7000114.4D133 Y134 I138D133-N136 PolarHBondContact OD1-N 2.68Å; D133-N136 VanDerWaalsContact OD1-N 3.13Å; D133-N136 PolarHBondContact OD1-ND2 3.2Å; D133-N136 PolarHBondContact OD2-ND2 2.75Å; Y134-N136 VanDerWaalsContact C-N 3.26Å; Y134-N136 PolarHBondContact O-N 2.55Å; N136-I138 VanDerWaalsContact C-N 3.34Å; N136-I138 HydrophobicContact CB-CD1 3.8Å; N136-I138 HydrophobicContact CB-CG1 4.06Å
137D88.8Confident91.6Very high64 Ų6459.8 Ų59.834%0.34229%0.293SS..THydrogen-bonded Turntrans5644.7-174.7-168.831.7000112.6D133 F139 S153 S154D133-D137 PolarHBondContact O-N 2.72Å; D137-F139 WeakPolarHBondContact OD1-CE2 3.24Å; D137-S153 WeakPolarHBondContact O-CA 3.37Å; D137-S154 WeakPolarHBondContact OD1-CB 3.48Å; D137-S154 PolarHBondContact OD1-N 3.4Å; D137-S154 PolarHBondContact OD1-OG 3.43Å
138I91.7Very high91.6Very high59 Ų5963.1 Ų63.130%0.30331%0.311SS..EExtended strand (participates in β ladder)trans-118.4120.7-178.5-61171.4000109.7D133 N136 Q151D133-I138 HydrophobicContact CB-CB 4.3Å; D133-I138 PolarHBondContact N-O 2.82Å; D133-I138 PolarHBondContact O-N 2.97Å; N136-I138 VanDerWaalsContact C-N 3.34Å; N136-I138 HydrophobicContact CB-CD1 3.8Å; N136-I138 HydrophobicContact CB-CG1 4.06Å; I138-Q151 HydrophobicContact CG2-CB 4.14Å; I138-Q151 HydrophobicContact CG2-CG 3.91Å
139F92.5Very high91.7Very high1 Ų163.3 Ų63.30%0.00432%0.319CS..EExtended strand (participates in β ladder)trans-119.8116.1177-62.1-94.9000108.6W108 T132 Y134 D137 Q151 K152 L157W108-F139 HydrophobicContact CB-CD1 3.88Å; W108-F139 HydrophobicContact CB-CE1 3.62Å; W108-F139 HydrophobicContact CG-CD1 4.43Å; W108-F139 HydrophobicContact CG-CE1 4.25Å; T132-F139 HydrophobicContact CG2-CD1 3.51Å; T132-F139 HydrophobicContact CG2-CE1 3.71Å; Y134-F139 HydrophobicContact CD1-CE1 4.5Å; Y134-F139 AromaticContact CD1-CZ 3.97Å; Y134-F139 HydrophobicContact CD1-CZ 3.97Å; Y134-F139 HydrophobicContact CE1-CE1 4.06Å; Y134-F139 AromaticContact CE1-CZ 3.81Å; Y134-F139 HydrophobicContact CE1-CZ 3.81Å; Y134-F139 HydrophobicContact CE2-CE1 4.4Å; D137-F139 WeakPolarHBondContact OD1-CE2 3.24Å; F139-Q151 CarbonylContact O-C 3.53Å; F139-Q151 WeakPolarHBondContact O-CA 3.5Å; F139-K152 PolarHBondContact N-O 2.77Å; F139-K152 PolarHBondContact O-N 3.37Å; F139-L157 HydrophobicContact CB-CD1 3.81Å; F139-L157 HydrophobicContact CD1-CD1 4.12Å; F139-L157 HydrophobicContact CD2-CD1 4.16Å; F139-L157 HydrophobicContact CG-CD1 3.74Å
140T96.7Very high92Very high25 Ų2565.1 Ų65.115%0.15333%0.327CS..EExtended strand (participates in β ladder)trans-85118.8175.2-56.40000108.2L130 T131 V149L130-T140 HydrophobicContact CB-CG2 4.41Å; L130-T140 WeakPolarHBondContact CB-O 3.45Å; L130-T140 HydrophobicContact CD1-CG2 4.35Å; L130-T140 PolarHBondContact N-O 3.47Å; T131-T140 PolarHBondContact N-O 3.31Å; T131-T140 PolarHBondContact O-N 2.93Å; T131-T140 VanDerWaalsContact OG1-CB 3.23Å; T131-T140 WeakPolarHBondContact OG1-CB 3.25Å; T131-T140 PolarHBondContact OG1-OG1 3.36Å; T131-T140 VanDerWaalsContact OG1-OG1 3.09Å; T140-V149 HydrophobicContact CG2-CG1 3.33Å
141V97.3Very high92.3Very high0 Ų067.7 Ų67.70%034%0.337CS..EExtended strand (participates in β ladder)trans-116.4148.8-177.8-53.60000110.9A127 K128 I129 F143 V149 E150 K152 L157A127-V141 HydrophobicContact CB-CB 3.89Å; A127-V141 HydrophobicContact CB-CG2 4.02Å; K128-V141 CarbonylContact O-C 3.55Å; K128-V141 WeakPolarHBondContact O-CA 3.4Å; I129-V141 HydrophobicContact CG1-CG1 4.14Å; V141-F143 HydrophobicContact CG2-CE2 4.42Å; V141-F143 HydrophobicContact CG2-CZ 4.38Å; V141-V149 VanDerWaalsContact O-CA 3.25Å; V141-V149 WeakPolarHBondContact O-CA 3.25Å; V141-E150 PolarHBondContact N-O 3.32Å; V141-E150 PolarHBondContact O-N 2.68Å; V141-K152 HydrophobicContact CG2-CG 4.08Å; V141-L157 HydrophobicContact CG1-CD2 4.16Å
142S97.6Very high92.8Very high21 Ų2165 Ų6515%0.14732%0.32CS..EExtended strand (participates in β ladder)trans-113.1118.8170.4176.90000109.3A127 K128 C144 N148A127-S142 CarbonylContact C-O 3.55Å; A127-S142 VanDerWaalsContact CA-O 3.25Å; A127-S142 WeakPolarHBondContact CA-O 3.48Å; K128-S142 PolarHBondContact N-O 3.01Å; K128-S142 PolarHBondContact O-N 2.92Å; S142-C144 PolarHBondContact O-N 3.49Å; S142-N148 WeakPolarHBondContact CA-O 3.31Å
143F97.6Very high93.1Very high4 Ų463.9 Ų63.92%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-64.9128.4177.5-68.7-77.3000110.5T117 W118 Y125 A127 V141 Y146 E147 N148 E150T117-F143 WeakPolarHBondContact O-CZ 3.36Å; W118-F143 HydrophobicContact CB-CE1 4.02Å; W118-F143 HydrophobicContact CB-CE2 4.14Å; W118-F143 HydrophobicContact CB-CZ 3.78Å; W118-F143 AromaticContact CD1-CE2 3.47Å; W118-F143 VanDerWaalsContact CD1-CE2 3.47Å; W118-F143 AromaticContact CD1-CZ 3.95Å; W118-F143 HydrophobicContact CG-CD2 4.43Å; W118-F143 HydrophobicContact CG-CE2 4.03Å; W118-F143 HydrophobicContact CG-CZ 4.18Å; Y125-F143 HydrophobicContact CD2-CD1 4.46Å; Y125-F143 HydrophobicContact CD2-CE1 4.49Å; Y125-F143 HydrophobicContact CG-CD1 4.2Å; A127-F143 HydrophobicContact CB-CD1 3.9Å; A127-F143 HydrophobicContact CB-CE1 4.22Å; A127-F143 HydrophobicContact CB-CG 4.42Å; V141-F143 HydrophobicContact CG2-CE2 4.42Å; V141-F143 HydrophobicContact CG2-CZ 4.38Å; F143-Y146 PolarHBondContact O-N 2.89Å; F143-E147 WeakPolarHBondContact O-CA 3.3Å; F143-E147 PolarHBondContact O-N 3.49Å; F143-N148 HydrophobicContact CD2-CB 4.19Å; F143-N148 WeakPolarHBondContact CD2-O 2.79Å; F143-N148 PolarHBondContact N-O 3.44Å; F143-E150 HydrophobicContact CE2-CB 3.91Å
144C94.5Very high93.2Very high11 Ų1162.7 Ų62.77%0.07431%0.31CS..THydrogen-bonded Turntrans-61.7147.4-179-590000109.4Y126 S142 Y146 N173 A177Y126-C144 WeakPolarHBondContact O-CB 3.43Å; Y126-C144 PolarHBondContact O-N 2.93Å; Y126-C144 PolarHBondContact O-SG 3.44Å; S142-C144 PolarHBondContact O-N 3.49Å; C144-Y146 PolarHBondContact O-N 2.85Å; C144-N173 PolarHBondContact N-ND2 3.36Å; C144-N173 PolarHBondContact O-ND2 2.82Å; C144-A177 HydrophobicContact CB-CB 4.06Å
145F95.9Very high93.6Very high101 Ų10165.2 Ų65.244%0.44332%0.323SS..THydrogen-bonded Turntrans70.8-48.1-172.2-173.8-104.1000115.9M172 S176F145-M172 HydrophobicContact CD1-CB 3.75Å; F145-M172 HydrophobicContact CD1-SD 4.49Å; F145-M172 HydrophobicContact CD2-CB 3.98Å; F145-M172 HydrophobicContact CE1-CB 3.74Å; F145-M172 HydrophobicContact CE1-CG 4.28Å; F145-M172 HydrophobicContact CE1-SD 3.56Å; F145-M172 VanDerWaalsContact CE1-SD 3.56Å; F145-M172 HydrophobicContact CE2-CB 3.97Å; F145-M172 HydrophobicContact CE2-CG 4.47Å; F145-M172 HydrophobicContact CE2-SD 4.18Å; F145-M172 HydrophobicContact CG-CB 3.87Å; F145-M172 HydrophobicContact CZ-CB 3.86Å; F145-M172 HydrophobicContact CZ-CG 4.14Å; F145-M172 HydrophobicContact CZ-SD 3.36Å; F145-M172 WeakPolarHBondContact CZ-SD 3.42Å; F145-S176 PolarHBondContact N-OG 3.3Å; F145-S176 VanDerWaalsContact N-OG 3.08Å
146Y94Very high94.2Very high103 Ų10359.1 Ų59.140%0.40430%0.296SS..THydrogen-bonded Turntrans-88.4-24.1-174.1-61-75.1000114.2Y125 F143 C144 N148 D170Y125-Y146 HydrophobicContact CD1-CE2 4.44Å; Y125-Y146 HydrophobicContact CE1-CE2 4.03Å; F143-Y146 PolarHBondContact O-N 2.89Å; C144-Y146 PolarHBondContact O-N 2.85Å; Y146-N148 WeakPolarHBondContact CB-OD1 3.41Å; Y146-N148 PolarHBondContact O-N 3.11Å; Y146-N148 PolarHBondContact O-OD1 2.88Å; Y146-D170 VanDerWaalsContact CE2-OD2 3.29Å; Y146-D170 WeakPolarHBondContact CE2-OD2 3.32Å; Y146-D170 PolarHBondContact OH-OD2 2.85Å
147E92.1Very high94.6Very high154 Ų15454.5 Ų54.572%0.7227%0.271SS*.  trans61.410.7-179.6-54.5-176.4167.300114.6F143 V149F143-E147 WeakPolarHBondContact O-CA 3.3Å; F143-E147 PolarHBondContact O-N 3.49Å; E147-V149 PolarHBondContact O-N 3Å
148N96.7Very high94.7Very high70 Ų7054.3 Ų54.337%0.37427%0.266SS..  trans-58.9134.8166.9-65.376.1000109.6S142 F143 Y146S142-N148 WeakPolarHBondContact CA-O 3.31Å; F143-N148 HydrophobicContact CD2-CB 4.19Å; F143-N148 WeakPolarHBondContact CD2-O 2.79Å; F143-N148 PolarHBondContact N-O 3.44Å; Y146-N148 WeakPolarHBondContact CB-OD1 3.41Å; Y146-N148 PolarHBondContact O-N 3.11Å; Y146-N148 PolarHBondContact O-OD1 2.88Å
149V97.7Very high94.5Very high87 Ų8754.5 Ų54.553%0.52727%0.268SS..EExtended strand (participates in β ladder)trans-107.3132.5-179.5178.50000110.2L130 T140 V141 E147L130-V149 HydrophobicContact CD1-CG1 4.35Å; L130-V149 HydrophobicContact CD1-CG2 4.03Å; T140-V149 HydrophobicContact CG2-CG1 3.33Å; V141-V149 VanDerWaalsContact O-CA 3.25Å; V141-V149 WeakPolarHBondContact O-CA 3.25Å; E147-V149 PolarHBondContact O-N 3Å
150E98.2Very high94.1Very high40 Ų4055.9 Ų55.919%0.18728%0.275CS..EExtended strand (participates in β ladder)trans-141.1155.8177.3-153.9-169.5138.900111S119 V141 F143 K152S119-E150 VanDerWaalsContact CB-OE1 3.23Å; S119-E150 WeakPolarHBondContact CB-OE1 3.39Å; S119-E150 PolarHBondContact N-OE2 3.49Å; S119-E150 PolarHBondContact OG-OE1 3Å; S119-E150 PolarHBondContact OG-OE2 2.89Å; V141-E150 PolarHBondContact N-O 3.32Å; V141-E150 PolarHBondContact O-N 2.68Å; F143-E150 HydrophobicContact CE2-CB 3.91Å; E150-K152 WeakPolarHBondContact OE1-CE 3.46Å; E150-K152 IonicContact OE1-NZ 2.7Å; E150-K152 PolarHBondContact OE1-NZ 2.81Å; E150-K152 IonicContact OE2-NZ 3.23Å; E150-K152 PolarHBondContact OE2-NZ 2.81Å
151Q98.1Very high93.3Very high127 Ų12760.9 Ų60.959%0.59330%0.301SS*.EExtended strand (participates in β ladder)trans-95.8131.1171.6-71.1180-8.400109.9I138 F139I138-Q151 HydrophobicContact CG2-CB 4.14Å; I138-Q151 HydrophobicContact CG2-CG 3.91Å; F139-Q151 CarbonylContact O-C 3.53Å; F139-Q151 WeakPolarHBondContact O-CA 3.5Å
152K96.9Very high92.6Very high18 Ų1862.5 Ų62.58%0.07831%0.312CS..EExtended strand (participates in β ladder)trans-123.1160175.9-64-59.1-174.4-175.40110.8C116 T117 F139 V141 E150 L157C116-K152 HydrophobicContact CB-CG 4.47Å; T117-K152 WeakPolarHBondContact O-CE 3.37Å; T117-K152 PolarHBondContact O-NZ 2.91Å; F139-K152 PolarHBondContact N-O 2.77Å; F139-K152 PolarHBondContact O-N 3.37Å; V141-K152 HydrophobicContact CG2-CG 4.08Å; E150-K152 WeakPolarHBondContact OE1-CE 3.46Å; E150-K152 IonicContact OE1-NZ 2.7Å; E150-K152 PolarHBondContact OE1-NZ 2.81Å; E150-K152 IonicContact OE2-NZ 3.23Å; E150-K152 PolarHBondContact OE2-NZ 2.81Å; K152-L157 HydrophobicContact CB-CD2 3.71Å; K152-L157 HydrophobicContact CB-CG 4.35Å; K152-L157 HydrophobicContact CG-CD2 4.09Å
153S94.3Very high92Very high20 Ų2068.6 Ų68.614%0.1434%0.338CS..  trans-96.2158167.872.90000110.6D137 K155 D156D137-S153 WeakPolarHBondContact O-CA 3.37Å; S153-K155 PolarHBondContact O-N 3.36Å; S153-K155 VanDerWaalsContact O-N 3.08Å; S153-K155 WeakPolarHBondContact OG-CD 3.15Å; S153-K155 VanDerWaalsContact OG-CE 3.23Å; S153-K155 WeakPolarHBondContact OG-CE 3.45Å; S153-K155 WeakPolarHBondContact OG-CG 3.2Å; S153-D156 PolarHBondContact O-N 3.48Å; S153-D156 PolarHBondContact OG-OD2 2.98Å
154S88.5Confident91.6Very high34 Ų3470 Ų7024%0.23834%0.344CS..G310 helixtrans-55.7-29.8-176.853.70000113.9D137 D156 L157D137-S154 WeakPolarHBondContact OD1-CB 3.48Å; D137-S154 PolarHBondContact OD1-N 3.4Å; D137-S154 PolarHBondContact OD1-OG 3.43Å; S154-D156 PolarHBondContact O-N 2.86Å; S154-L157 PolarHBondContact O-N 2.83Å
155K90.3Very high91.4Very high150 Ų15073.1 Ų73.165%0.65236%0.358SS*.G310 helixtrans-69.4-19.3178.884.1-160.9177.8-1790114S153S153-K155 PolarHBondContact O-N 3.36Å; S153-K155 VanDerWaalsContact O-N 3.08Å; S153-K155 WeakPolarHBondContact OG-CD 3.15Å; S153-K155 VanDerWaalsContact OG-CE 3.23Å; S153-K155 WeakPolarHBondContact OG-CE 3.45Å; S153-K155 WeakPolarHBondContact OG-CG 3.2Å
156D94.6Very high91.2Very high52 Ų5273.4 Ų73.428%0.27837%0.368SS..G310 helixtrans-1013.2-175.5-52.1-50.7000111.7C116 S153 S154C116-D156 WeakPolarHBondContact CB-O 3.25Å; S153-D156 PolarHBondContact O-N 3.48Å; S153-D156 PolarHBondContact OG-OD2 2.98Å; S154-D156 PolarHBondContact O-N 2.86Å
157L93.4Very high91.3Very high4 Ų474.6 Ų74.62%0.02137%0.372CS..  trans-106.4133.1177.7-56.1-176.8000110.1W108 C114 C116 I129 F139 V141 K152 S154W108-L157 HydrophobicContact CD2-CB 4.34Å; W108-L157 HydrophobicContact CD2-CD1 4.03Å; W108-L157 VanDerWaalsContact CE2-CB 3.4Å; W108-L157 HydrophobicContact CG-CD1 3.92Å; W108-L157 HydrophobicContact CH2-CB 4.23Å; W108-L157 HydrophobicContact CZ2-CB 3.33Å; C114-L157 HydrophobicContact CB-CB 4.45Å; C114-L157 HydrophobicContact CB-CD2 4.5Å; C116-L157 HydrophobicContact CB-CD2 3.82Å; I129-L157 HydrophobicContact CD1-CD1 4.07Å; F139-L157 HydrophobicContact CB-CD1 3.81Å; F139-L157 HydrophobicContact CD1-CD1 4.12Å; F139-L157 HydrophobicContact CD2-CD1 4.16Å; F139-L157 HydrophobicContact CG-CD1 3.74Å; V141-L157 HydrophobicContact CG1-CD2 4.16Å; K152-L157 HydrophobicContact CB-CD2 3.71Å; K152-L157 HydrophobicContact CB-CG 4.35Å; K152-L157 HydrophobicContact CG-CD2 4.09Å; S154-L157 PolarHBondContact O-N 2.83Å
158Y91.3Very high91.5Very high59 Ų5967.3 Ų67.323%0.23134%0.338CS..BIsolated β-bridgetrans-128149.7-177.9-51.6-76.1000112.2W108 C114 I115 Y124 F164W108-Y158 WeakPolarHBondContact CH2-O 3.49Å; C114-Y158 CarbonylContact C-O 3.6Å; I115-Y158 PolarHBondContact N-O 3.46Å; I115-Y158 WeakPolarHBondContact O-CD2 3.48Å; I115-Y158 PolarHBondContact O-N 3Å; Y124-Y158 HydrophobicContact CE1-CD2 4.07Å; Y124-Y158 AromaticContact CE1-CE2 3.78Å; Y124-Y158 HydrophobicContact CE1-CE2 3.78Å; Y158-F164 HydrophobicContact CD1-CD1 4.41Å; Y158-F164 AromaticContact CD1-CD2 3.42Å; Y158-F164 HydrophobicContact CD1-CD2 3.42Å; Y158-F164 VanDerWaalsContact CD1-CD2 3.42Å; Y158-F164 HydrophobicContact CD1-CE1 4.28Å; Y158-F164 AromaticContact CD1-CE2 3.28Å; Y158-F164 HydrophobicContact CD1-CE2 3.28Å; Y158-F164 HydrophobicContact CD1-CG 4.02Å; Y158-F164 AromaticContact CD1-CZ 3.74Å; Y158-F164 HydrophobicContact CD1-CZ 3.74Å; Y158-F164 HydrophobicContact CD2-CB 4.39Å; Y158-F164 AromaticContact CD2-CD1 3.93Å; Y158-F164 HydrophobicContact CD2-CD1 3.93Å; Y158-F164 HydrophobicContact CD2-CD2 4.16Å; Y158-F164 HydrophobicContact CD2-CE1 4.23Å; Y158-F164 HydrophobicContact CD2-CE2 4.47Å; Y158-F164 AromaticContact CD2-CG 3.89Å; Y158-F164 HydrophobicContact CD2-CG 3.89Å; Y158-F164 HydrophobicContact CD2-CZ 4.49Å; Y158-F164 HydrophobicContact CE1-CD1 4.46Å; Y158-F164 AromaticContact CE1-CD2 3.98Å; Y158-F164 HydrophobicContact CE1-CD2 3.98Å; Y158-F164 AromaticContact CE1-CE1 3.93Å; Y158-F164 HydrophobicContact CE1-CE1 3.93Å; Y158-F164 AromaticContact CE1-CE2 3.39Å; Y158-F164 HydrophobicContact CE1-CE2 3.39Å; Y158-F164 HydrophobicContact CE1-CG 4.48Å; Y158-F164 AromaticContact CE1-CZ 3.35Å; Y158-F164 HydrophobicContact CE1-CZ 3.35Å; Y158-F164 AromaticContact CE2-CD1 3.99Å; Y158-F164 HydrophobicContact CE2-CD1 3.99Å; Y158-F164 AromaticContact CE2-CE1 3.87Å; Y158-F164 HydrophobicContact CE2-CE1 3.87Å; Y158-F164 HydrophobicContact CE2-CG 4.37Å; Y158-F164 HydrophobicContact CE2-CZ 4.18Å; Y158-F164 HydrophobicContact CG-CB 4.23Å; Y158-F164 HydrophobicContact CG-CD1 4.15Å; Y158-F164 AromaticContact CG-CD2 3.53Å; Y158-F164 HydrophobicContact CG-CD2 3.53Å; Y158-F164 HydrophobicContact CG-CE1 4.42Å; Y158-F164 AromaticContact CG-CE2 3.86Å; Y158-F164 HydrophobicContact CG-CE2 3.86Å; Y158-F164 AromaticContact CG-CG 3.69Å; Y158-F164 HydrophobicContact CG-CG 3.69Å; Y158-F164 HydrophobicContact CG-CZ 4.29Å; Y158-F164 AromaticContact CZ-CE1 3.7Å; Y158-F164 AromaticContact CZ-CZ 3.59Å
159N86.4Confident91.4Very high64 Ų6468.9 Ų68.934%0.34235%0.351SS..  trans-65.6146.5177.9-79.2-59.4000112.8Q106 I115 N161 S162Q106-N159 PolarHBondContact NE2-ND2 3.25Å; Q106-N159 PolarHBondContact NE2-OD1 3.29Å; Q106-N159 PolarHBondContact OE1-ND2 2.77Å; I115-N159 WeakPolarHBondContact CD1-O 3.29Å; N159-N161 PolarHBondContact O-N 3.13Å; N159-N161 VanDerWaalsContact O-N 3.11Å; N159-S162 VanDerWaalsContact O-CB 3.24Å; N159-S162 WeakPolarHBondContact O-CB 3.11Å; N159-S162 PolarHBondContact O-N 3.17Å; N159-S162 PolarHBondContact O-OG 2.69Å
160I83.7Confident91.4Very high30 Ų3066.1 Ų66.115%0.15433%0.333CS..THydrogen-bonded Turntrans-67.2-9.4179.665-171000115.4I113 Y126 K181I113-I160 HydrophobicContact CB-CG2 4.01Å; I113-I160 HydrophobicContact CG2-CG2 3.66Å; I113-I160 WeakPolarHBondContact O-CG2 3.33Å; Y126-I160 HydrophobicContact CD1-CB 4.49Å; Y126-I160 HydrophobicContact CD1-CG2 3.83Å; Y126-I160 HydrophobicContact CE1-CB 3.78Å; Y126-I160 HydrophobicContact CE1-CG2 3.62Å; I160-K181 VanDerWaalsContact CD1-CE 3.48Å
161N80.1Confident91.3Very high129 Ų12970.2 Ų70.269%0.6935%0.353SS*.THydrogen-bonded Turntrans-119.519.7174.1-56.1-27.6000111.3N159N159-N161 PolarHBondContact O-N 3.13Å; N159-N161 VanDerWaalsContact O-N 3.11Å
162S83.4Confident91.2Very high35 Ų3569.5 Ų69.525%0.24535%0.351CS..SBendtrans-82.3172.8175.268.80000110.9N159 F164 E165N159-S162 VanDerWaalsContact O-CB 3.24Å; N159-S162 WeakPolarHBondContact O-CB 3.11Å; N159-S162 PolarHBondContact O-N 3.17Å; N159-S162 PolarHBondContact O-OG 2.69Å; S162-F164 PolarHBondContact O-N 2.83Å; S162-F164 PolarHBondContact OG-N 3.48Å; S162-E165 WeakPolarHBondContact O-CB 3.23Å; S162-E165 PolarHBondContact O-N 2.92Å; S162-E165 VanDerWaalsContact O-N 3.13Å
163E84.8Confident91.2Very high149 Ų14968.6 Ų68.670%0.69635%0.348SS*.G310 helixtrans-56.2-17.9171.565-168.8178.100113.6E165 V166E163-E165 VanDerWaalsContact C-N 3.3Å; E163-E165 PolarHBondContact O-N 3.02Å; E163-V166 VanDerWaalsContact O-CG2 3.25Å; E163-V166 WeakPolarHBondContact O-CG2 3.46Å
164F89.6Confident91.2Very high33 Ų3369.9 Ų69.915%0.14535%0.351CS..G310 helixtrans-75.2-15.6179.2-68.4-90.6000114.4I115 Y124 Y158 S162 V166 Y167I115-F164 HydrophobicContact CD1-CB 4.38Å; I115-F164 HydrophobicContact CG2-CB 4.08Å; Y124-F164 HydrophobicContact CD1-CD1 4.16Å; Y124-F164 AromaticContact CE1-CD1 3.42Å; Y124-F164 HydrophobicContact CE1-CD1 3.42Å; Y124-F164 VanDerWaalsContact CE1-CD1 3.42Å; Y124-F164 AromaticContact CE1-CE1 3.93Å; Y124-F164 HydrophobicContact CE1-CE1 3.93Å; Y124-F164 HydrophobicContact CE1-CG 4.41Å; Y124-F164 AromaticContact CZ-CD1 3.74Å; Y124-F164 AromaticContact CZ-CE1 3.94Å; Y124-F164 WeakPolarHBondContact OH-CE1 3.34Å; Y158-F164 HydrophobicContact CD1-CD1 4.41Å; Y158-F164 AromaticContact CD1-CD2 3.42Å; Y158-F164 HydrophobicContact CD1-CD2 3.42Å; Y158-F164 VanDerWaalsContact CD1-CD2 3.42Å; Y158-F164 HydrophobicContact CD1-CE1 4.28Å; Y158-F164 AromaticContact CD1-CE2 3.28Å; Y158-F164 HydrophobicContact CD1-CE2 3.28Å; Y158-F164 HydrophobicContact CD1-CG 4.02Å; Y158-F164 AromaticContact CD1-CZ 3.74Å; Y158-F164 HydrophobicContact CD1-CZ 3.74Å; Y158-F164 HydrophobicContact CD2-CB 4.39Å; Y158-F164 AromaticContact CD2-CD1 3.93Å; Y158-F164 HydrophobicContact CD2-CD1 3.93Å; Y158-F164 HydrophobicContact CD2-CD2 4.16Å; Y158-F164 HydrophobicContact CD2-CE1 4.23Å; Y158-F164 HydrophobicContact CD2-CE2 4.47Å; Y158-F164 AromaticContact CD2-CG 3.89Å; Y158-F164 HydrophobicContact CD2-CG 3.89Å; Y158-F164 HydrophobicContact CD2-CZ 4.49Å; Y158-F164 HydrophobicContact CE1-CD1 4.46Å; Y158-F164 AromaticContact CE1-CD2 3.98Å; Y158-F164 HydrophobicContact CE1-CD2 3.98Å; Y158-F164 AromaticContact CE1-CE1 3.93Å; Y158-F164 HydrophobicContact CE1-CE1 3.93Å; Y158-F164 AromaticContact CE1-CE2 3.39Å; Y158-F164 HydrophobicContact CE1-CE2 3.39Å; Y158-F164 HydrophobicContact CE1-CG 4.48Å; Y158-F164 AromaticContact CE1-CZ 3.35Å; Y158-F164 HydrophobicContact CE1-CZ 3.35Å; Y158-F164 AromaticContact CE2-CD1 3.99Å; Y158-F164 HydrophobicContact CE2-CD1 3.99Å; Y158-F164 AromaticContact CE2-CE1 3.87Å; Y158-F164 HydrophobicContact CE2-CE1 3.87Å; Y158-F164 HydrophobicContact CE2-CG 4.37Å; Y158-F164 HydrophobicContact CE2-CZ 4.18Å; Y158-F164 HydrophobicContact CG-CB 4.23Å; Y158-F164 HydrophobicContact CG-CD1 4.15Å; Y158-F164 AromaticContact CG-CD2 3.53Å; Y158-F164 HydrophobicContact CG-CD2 3.53Å; Y158-F164 HydrophobicContact CG-CE1 4.42Å; Y158-F164 AromaticContact CG-CE2 3.86Å; Y158-F164 HydrophobicContact CG-CE2 3.86Å; Y158-F164 AromaticContact CG-CG 3.69Å; Y158-F164 HydrophobicContact CG-CG 3.69Å; Y158-F164 HydrophobicContact CG-CZ 4.29Å; Y158-F164 AromaticContact CZ-CE1 3.7Å; Y158-F164 AromaticContact CZ-CZ 3.59Å; S162-F164 PolarHBondContact O-N 2.83Å; S162-F164 PolarHBondContact OG-N 3.48Å; F164-V166 PolarHBondContact O-N 3.18Å; F164-Y167 HydrophobicContact CB-CD2 4.34Å; F164-Y167 AromaticContact CD1-CD2 3.87Å; F164-Y167 HydrophobicContact CD1-CD2 3.87Å; F164-Y167 HydrophobicContact CD1-CE2 4.17Å; F164-Y167 HydrophobicContact CG-CD2 4.4Å; F164-Y167 PolarHBondContact O-N 2.83Å
165E90.1Very high91.5Very high76 Ų7671.9 Ų71.936%0.35537%0.365SS..G310 helixtrans-58.1-31.7177.8176.4168-156.700112.5I115 Y126 S162 E163 Y167 V168I115-E165 HydrophobicContact CD1-CB 3.99Å; Y126-E165 VanDerWaalsContact OH-CD 3.32Å; Y126-E165 VanDerWaalsContact OH-CG 3.31Å; Y126-E165 WeakPolarHBondContact OH-CG 3.33Å; Y126-E165 PolarHBondContact OH-OE1 3.08Å; S162-E165 WeakPolarHBondContact O-CB 3.23Å; S162-E165 PolarHBondContact O-N 2.92Å; S162-E165 VanDerWaalsContact O-N 3.13Å; E163-E165 VanDerWaalsContact C-N 3.3Å; E163-E165 PolarHBondContact O-N 3.02Å; E165-Y167 PolarHBondContact O-N 2.86Å; E165-V168 PolarHBondContact O-N 2.86Å
166V92.2Very high91.6Very high107 Ų10766.2 Ų66.265%0.64834%0.344SS*.G310 helixtrans-68.7-20.6178.9-51.40000112.9E163 F164E163-V166 VanDerWaalsContact O-CG2 3.25Å; E163-V166 WeakPolarHBondContact O-CG2 3.46Å; F164-V166 PolarHBondContact O-N 3.18Å
167Y95.5Very high91.4Very high129 Ų12963.9 Ų63.951%0.50633%0.332SS..G310 helixtrans-88.8-17.1179.4-56.6-57.3000113.3Y124 F164 E165 T169Y124-Y167 HydrophobicContact CD2-CG 4.33Å; Y124-Y167 HydrophobicContact CE2-CG 4.48Å; F164-Y167 HydrophobicContact CB-CD2 4.34Å; F164-Y167 AromaticContact CD1-CD2 3.87Å; F164-Y167 HydrophobicContact CD1-CD2 3.87Å; F164-Y167 HydrophobicContact CD1-CE2 4.17Å; F164-Y167 HydrophobicContact CG-CD2 4.4Å; F164-Y167 PolarHBondContact O-N 2.83Å; E165-Y167 PolarHBondContact O-N 2.86Å; Y167-T169 PolarHBondContact O-N 3.29Å
168V95.6Very high90.9Very high1 Ų168.1 Ų68.11%0.00635%0.354CS..BIsolated β-bridgetrans-69.9115.9169.4-174.10000107.1I115 Y124 Y126 E165 K174I115-V168 HydrophobicContact CD1-CG2 4.19Å; I115-V168 HydrophobicContact CG1-CG2 4.18Å; I115-V168 HydrophobicContact CG2-CG2 3.79Å; Y124-V168 WeakPolarHBondContact O-CA 3.22Å; Y126-V168 HydrophobicContact CD2-CG1 3.97Å; Y126-V168 HydrophobicContact CE2-CB 4.5Å; Y126-V168 HydrophobicContact CE2-CG1 4.12Å; E165-V168 PolarHBondContact O-N 2.86Å; V168-K174 HydrophobicContact CG1-CD 4.45Å; V168-K174 HydrophobicContact CG1-CG 3.84Å; V168-K174 WeakPolarHBondContact O-CE 2.9Å; V168-K174 PolarHBondContact O-NZ 3.01Å
169T95.9Very high90.4Very high103 Ų10367.5 Ų67.563%0.63236%0.358SS*.  trans-114.4-18.3-176.453.70000113.5Y167 M171Y167-T169 PolarHBondContact O-N 3.29Å; T169-M171 PolarHBondContact O-N 2.79Å
170D96.8Very high89.4Confident28 Ų2866.5 Ų66.515%0.1535%0.354CS..  trans-72.3110.7179.5-175.3-41.7000111.6Y125 Y146 M172 N173 K174Y125-D170 HydrophobicContact CD1-CB 4.15Å; Y125-D170 HydrophobicContact CE1-CB 3.7Å; Y146-D170 VanDerWaalsContact CE2-OD2 3.29Å; Y146-D170 WeakPolarHBondContact CE2-OD2 3.32Å; Y146-D170 PolarHBondContact OH-OD2 2.85Å; D170-M172 PolarHBondContact O-N 3.06Å; D170-M172 WeakPolarHBondContact OD1-CA 3.43Å; D170-M172 WeakPolarHBondContact OD1-CB 3.23Å; D170-M172 PolarHBondContact OD1-N 2.99Å; D170-N173 HydrophobicContact CB-CB 3.89Å; D170-N173 PolarHBondContact OD1-N 2.77Å; D170-K174 VanDerWaalsContact O-CG 3.3Å; D170-K174 WeakPolarHBondContact O-CG 3.45Å; D170-K174 PolarHBondContact O-N 3Å
171M95.1Very high88.1Confident126 Ų12669.7 Ų69.762%0.62137%0.367SS*.Hα-helixtrans-70.4-28-177.2-64.6-64.3163.700113.7T169 K174 S175T169-M171 PolarHBondContact O-N 2.79Å; M171-K174 HydrophobicContact SD-CD 4.29Å; M171-S175 WeakPolarHBondContact O-CB 3.11Å; M171-S175 PolarHBondContact O-N 2.57Å; M171-S175 PolarHBondContact O-OG 3.22Å
172M96.6Very high86.8Confident112 Ų11270.2 Ų70.255%0.55237%0.365SS*.Hα-helixtrans-72.9-44.5178-63-174.9-177.100110.2F145 D170 S175 S176F145-M172 HydrophobicContact CD1-CB 3.75Å; F145-M172 HydrophobicContact CD1-SD 4.49Å; F145-M172 HydrophobicContact CD2-CB 3.98Å; F145-M172 HydrophobicContact CE1-CB 3.74Å; F145-M172 HydrophobicContact CE1-CG 4.28Å; F145-M172 HydrophobicContact CE1-SD 3.56Å; F145-M172 VanDerWaalsContact CE1-SD 3.56Å; F145-M172 HydrophobicContact CE2-CB 3.97Å; F145-M172 HydrophobicContact CE2-CG 4.47Å; F145-M172 HydrophobicContact CE2-SD 4.18Å; F145-M172 HydrophobicContact CG-CB 3.87Å; F145-M172 HydrophobicContact CZ-CB 3.86Å; F145-M172 HydrophobicContact CZ-CG 4.14Å; F145-M172 HydrophobicContact CZ-SD 3.36Å; F145-M172 WeakPolarHBondContact CZ-SD 3.42Å; D170-M172 PolarHBondContact O-N 3.06Å; D170-M172 WeakPolarHBondContact OD1-CA 3.43Å; D170-M172 WeakPolarHBondContact OD1-CB 3.23Å; D170-M172 PolarHBondContact OD1-N 2.99Å; M172-S175 PolarHBondContact O-N 3.05Å; M172-S176 WeakPolarHBondContact O-CB 3.41Å; M172-S176 PolarHBondContact O-N 2.92Å
173N96.3Very high84.9Confident0 Ų075.8 Ų75.80%039%0.385CS..Hα-helixtrans-59-47.5171.9174.2-97.1000111.6Y125 Y126 C144 D170 S175 S176 A177Y125-N173 HydrophobicContact CD1-CB 3.96Å; Y126-N173 WeakPolarHBondContact CB-OD1 3.33Å; Y126-N173 PolarHBondContact N-OD1 3.13Å; Y126-N173 PolarHBondContact O-ND2 3.43Å; C144-N173 PolarHBondContact N-ND2 3.36Å; C144-N173 PolarHBondContact O-ND2 2.82Å; D170-N173 HydrophobicContact CB-CB 3.89Å; D170-N173 PolarHBondContact OD1-N 2.77Å; N173-S175 PolarHBondContact O-N 3.3Å; N173-S176 PolarHBondContact O-N 3.18Å; N173-A177 WeakPolarHBondContact O-CB 3.19Å; N173-A177 PolarHBondContact O-N 2.64Å
174K95.3Very high82.9Confident47 Ų4774.6 Ų74.620%0.20438%0.382CS..Hα-helixtrans-56-50.8174.5-72.9-166.9177.4-173.60112.5Y126 V168 D170 M171 S176 A177 L178Y126-K174 HydrophobicContact CD2-CG 4.16Å; Y126-K174 HydrophobicContact CE2-CB 4.5Å; Y126-K174 HydrophobicContact CE2-CG 3.91Å; V168-K174 HydrophobicContact CG1-CD 4.45Å; V168-K174 HydrophobicContact CG1-CG 3.84Å; V168-K174 WeakPolarHBondContact O-CE 2.9Å; V168-K174 PolarHBondContact O-NZ 3.01Å; D170-K174 VanDerWaalsContact O-CG 3.3Å; D170-K174 WeakPolarHBondContact O-CG 3.45Å; D170-K174 PolarHBondContact O-N 3Å; M171-K174 HydrophobicContact SD-CD 4.29Å; K174-S176 VanDerWaalsContact C-N 3.32Å; K174-S176 PolarHBondContact O-N 3.33Å; K174-A177 PolarHBondContact O-N 2.9Å; K174-L178 WeakPolarHBondContact O-CG 3.49Å; K174-L178 PolarHBondContact O-N 2.66Å
175S93.7Very high80.4Confident76 Ų7677.2 Ų77.253%0.53141%0.405SS..Hα-helixtrans-63.5-40.1-177.6-57.40000111.5M171 M172 N173 L178 S179M171-S175 WeakPolarHBondContact O-CB 3.11Å; M171-S175 PolarHBondContact O-N 2.57Å; M171-S175 PolarHBondContact O-OG 3.22Å; M172-S175 PolarHBondContact O-N 3.05Å; N173-S175 PolarHBondContact O-N 3.3Å; S175-L178 PolarHBondContact O-N 2.97Å; S175-S179 WeakPolarHBondContact O-CB 3.02Å; S175-S179 PolarHBondContact O-N 3.44Å
176S94Very high77.9Confident30 Ų3079.4 Ų79.421%0.2142%0.419CS..Hα-helixtrans-62.8-48.4175.5-177.90000111.7F145 M172 N173 K174 L178 S179 V180F145-S176 PolarHBondContact N-OG 3.3Å; F145-S176 VanDerWaalsContact N-OG 3.08Å; M172-S176 WeakPolarHBondContact O-CB 3.41Å; M172-S176 PolarHBondContact O-N 2.92Å; N173-S176 PolarHBondContact O-N 3.18Å; K174-S176 VanDerWaalsContact C-N 3.32Å; K174-S176 PolarHBondContact O-N 3.33Å; S176-L178 VanDerWaalsContact C-N 3.31Å; S176-L178 PolarHBondContact O-N 3.08Å; S176-S179 PolarHBondContact O-N 3.35Å; S176-S179 PolarHBondContact O-OG 3.39Å; S176-V180 WeakPolarHBondContact O-CG2 3.29Å; S176-V180 PolarHBondContact O-N 2.7Å
177A90.3Very high75.2Confident4 Ų482.7 Ų82.73%0.03343%0.427CS..Hα-helixtrans-60.3-38.5178.900000112.8Y126 C144 N173 K174Y126-A177 HydrophobicContact CD2-CB 3.8Å; Y126-A177 HydrophobicContact CG-CB 3.7Å; C144-A177 HydrophobicContact CB-CB 4.06Å; N173-A177 WeakPolarHBondContact O-CB 3.19Å; N173-A177 PolarHBondContact O-N 2.64Å; K174-A177 PolarHBondContact O-N 2.9Å
178L81.7Confident72.2Confident93 Ų9381.9 Ų81.949%0.48744%0.439SS..Hα-helixtrans-70.5-38.3176.6-66.5173.4000112.3K174 S175 S176 V180 K181 E182K174-L178 WeakPolarHBondContact O-CG 3.49Å; K174-L178 PolarHBondContact O-N 2.66Å; S175-L178 PolarHBondContact O-N 2.97Å; S176-L178 VanDerWaalsContact C-N 3.31Å; S176-L178 PolarHBondContact O-N 3.08Å; L178-V180 VanDerWaalsContact C-N 3.26Å; L178-V180 PolarHBondContact O-N 3.02Å; L178-K181 WeakPolarHBondContact O-CB 3.42Å; L178-K181 PolarHBondContact O-N 3.35Å; L178-K181 VanDerWaalsContact O-N 3.07Å; L178-E182 PolarHBondContact O-N 2.71Å
179S81.8Confident69.3Low45 Ų4590.1 Ų90.132%0.31548%0.478SS..Hα-helixtrans-65.7-27.417774.10000113.6S175 S176 K181 E182 K183S175-S179 WeakPolarHBondContact O-CB 3.02Å; S175-S179 PolarHBondContact O-N 3.44Å; S176-S179 PolarHBondContact O-N 3.35Å; S176-S179 PolarHBondContact O-OG 3.39Å; S179-K181 VanDerWaalsContact C-N 3.27Å; S179-K181 PolarHBondContact O-N 3.23Å; S179-E182 PolarHBondContact O-N 2.97Å; S179-K183 PolarHBondContact O-N 2.95Å; S179-K183 VanDerWaalsContact O-N 3.14Å
180V65.9Low66.3Low43 Ų4392.8 Ų92.826%0.26149%0.487SS..Hα-helixtrans-66.4-32.7173.9174.90000110.7I113 S176 L178 I184I113-V180 HydrophobicContact CD1-CG1 4.45Å; S176-V180 WeakPolarHBondContact O-CG2 3.29Å; S176-V180 PolarHBondContact O-N 2.7Å; L178-V180 VanDerWaalsContact C-N 3.26Å; L178-V180 PolarHBondContact O-N 3.02Å; V180-I184 WeakPolarHBondContact O-CG1 3.48Å
181K56.2Low63.4Low98 Ų98101 Ų10143%0.42653%0.525SS..Hα-helixtrans-66.9-38.7175.1-65-177.5175.9178.20111.8I160 L178 S179I160-K181 VanDerWaalsContact CD1-CE 3.48Å; L178-K181 WeakPolarHBondContact O-CB 3.42Å; L178-K181 PolarHBondContact O-N 3.35Å; L178-K181 VanDerWaalsContact O-N 3.07Å; S179-K181 VanDerWaalsContact C-N 3.27Å; S179-K181 PolarHBondContact O-N 3.23Å
182E51.5Low60.4Low139 Ų139103.6 Ų103.665%0.6554%0.535SS*.Hα-helixtrans-72.3-40.7-178.5-67.6178.5170.700112.2L178 S179 I184 S185L178-E182 PolarHBondContact O-N 2.71Å; S179-E182 PolarHBondContact O-N 2.97Å; E182-I184 PolarHBondContact O-N 3.21Å; E182-I184 VanDerWaalsContact O-N 3.16Å; E182-S185 VanDerWaalsContact O-CB 3.26Å; E182-S185 WeakPolarHBondContact O-CB 3.23Å; E182-S185 PolarHBondContact O-N 2.88Å
183K44.2Very low57.4Low153 Ų153104.8 Ų104.867%0.66554%0.544SS*.Hα-helixtrans-64.3-21.7179.5-77.1-176179.1178.60114.8S179 S185S179-K183 PolarHBondContact O-N 2.95Å; S179-K183 VanDerWaalsContact O-N 3.14Å; K183-S185 VanDerWaalsContact C-N 3.3Å
184I42.3Very low54.4Low124 Ų124113.1 Ų113.164%0.63659%0.588SS**Hα-helixtrans-74.2-26.2173.6-65.5167.1000110.6V180 E182V180-I184 WeakPolarHBondContact O-CG1 3.48Å; E182-I184 PolarHBondContact O-N 3.21Å; E182-I184 VanDerWaalsContact O-N 3.16Å
185S37.5Very low51.5Low88 Ų88116.2 Ų116.262%0.61561%0.607SS**Hα-helixtrans-72.7-35.3177.3-167.30000112.6E182 K183E182-S185 VanDerWaalsContact O-CB 3.26Å; E182-S185 WeakPolarHBondContact O-CB 3.23Å; E182-S185 PolarHBondContact O-N 2.88Å; K183-S185 VanDerWaalsContact C-N 3.3Å
186D37.9Very low48.5Very low122 Ų122118.7 Ų118.765%0.65261%0.614SS**Hα-helixtrans-85-14-170.7-66.4-14.8000114.4C188D186-C188 VanDerWaalsContact C-N 3.28Å; D186-C188 PolarHBondContact O-N 3.09Å
187Q35.2Very low45.9Very low175 Ų175127.2 Ų127.282%0.81865%0.648SS**THydrogen-bonded Turntrans-81.81-179.4-78.1-166.2-15.100114.8
188C32.9Very low43Very low113 Ų113135.6 Ų135.676%0.76469%0.691SS**THydrogen-bonded Turntrans-94.7-0.9176-79.60000114.9D186D186-C188 VanDerWaalsContact C-N 3.28Å; D186-C188 PolarHBondContact O-N 3.09Å
189E34.7Very low40.8Very low173 Ų173134.3 Ų134.381%0.80870%0.701SS**  trans-107.864.1177.2-69.2-171.7177.700111.9
190L32.5Very low38.3Very low160 Ų160140.5 Ų140.584%0.83873%0.729SS**  trans-145.658166.3-73.7-178.7000111.9
191E35.1Very low36.9Very low200 Ų200144.1 Ų144.194%0.93576%0.757SS**  trans-141.773.4156.1-70.2-154.7-168.700109.9
192E33.8Very low35.6Very low181 Ų181150.1 Ų150.185%0.84678%0.776SS**  trans-103.7133160.2-82.5-173.8163.900109.8
193D31.9Very low34.6Very low136 Ų136148.8 Ų148.873%0.72778%0.778SS**  trans6693.1156.7-64-15.9000118.9
194N33.6Very low34Very low175 Ų175148.2 Ų148.294%0.93679%0.788SS**  trans-116.897.2136-151.83000110.5
195D34.4Very low33.5Very low112 Ų112145.4 Ų145.460%0.59979%0.789SS**  trans-84.1141.2-169.7-152.612.8000111.4
196N30.7Very low33.2Very low128 Ų128147.6 Ų147.668%0.68480%0.799SS**  trans56.9118.3148.4-79.1-39000122.2
197K39Very low33Very low209 Ų209147.4 Ų147.491%0.90980%0.802SS**  -169.478.2112.7-107.9172.6-179.4176.10112.6
198L30.3Very low32.9Very low180 Ų180144.4 Ų144.494%0.94280%0.796SS**  trans-75.9118.1149.8-101.999.3000107.9
199G35Very low32.8Very low67 Ų67145.9 Ų145.969%0.69180%0.796SS**  trans-155.248.3179.500000111.9S201G199-S201 PolarHBondContact O-N 2.93Å
200L29.7Very low33.2Very low174 Ų174142.4 Ų142.491%0.91179%0.791SS**  trans-81.897.7163.6-90.1107000108.8
201S36.8Very low33.3Very low120 Ų120143.9 Ų143.984%0.83979%0.793SS**  trans-126.7103.7158.847.70000109.4G199G199-S201 PolarHBondContact O-N 2.93Å
202R28.7Very low33.6Very low223 Ų223139.4 Ų139.484%0.84278%0.784SS**  trans-68.6148171.8-105172.7151.4174.3-6.8110.3
203T29.8Very low33.8Very low111 Ų111139.4 Ų139.468%0.68178%0.784SS**  trans80.8123.513852.70000121.4
204T31.4Very low34.4Very low142 Ų142143.2 Ų143.287%0.87181%0.812SS**  91.9128.5129.453.50000120.7
205G33.3Very low34.5Very low64 Ų64141.7 Ų141.766%0.6681%0.805SS**  trans126.595.7163.200000112
206T31.2Very low34.5Very low135 Ų135143.2 Ų143.283%0.82882%0.816SS**  59.8117.578.2-48.90000108.4
207T32.3Very low34.7Very low117 Ų117144.1 Ų144.172%0.71882%0.824SS**  cis177.8155.129.5-107.10000108.9
208V34.1Very low34.5Very low113 Ų113140.2 Ų140.269%0.68582%0.819SS**  trans0.2152165.6-97.80000124.4
209N31.4Very low34.7Very low144 Ų144137.8 Ų137.877%0.7781%0.811SS**  trans87120.5135.8-85.3-8.4000119.8
210S42.8Very low34.7Very low100 Ų100142.5 Ų142.570%0.69982%0.819SS**  146.7104105.2570000107.3
211H34.3Very low35.1Very low190 Ų190140.2 Ų140.288%0.8881%0.812SS**  36.2104.492.3-93.461.8000114.3
212S41.8Very low34.9Very low106 Ų106141.8 Ų141.874%0.74181%0.81SS**  trans-151.198.7156.147.60000103.9
213E37.3Very low35.4Very low182 Ų182135 Ų13585%0.8581%0.808SS**  39107.387.3-67.8-173.3155.900109.5
214V45.7Very low36Very low216 Ų216137.2 Ų137.2100%1.30982%0.819SS**  -150.3055.2170.40000110.3

Retrieved 214 of 214 residues in 391.7 ms (Link to these results)

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