A0A077YX20_TRITR Loading...

Trypsin and Ldl recept a domain containing protei n

AlphaFold DB , UniProt , Accession A0A077YX20, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 274 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
1M78.6Confident85.3Confident100 Ų10055.7 Ų55.749%0.49329%0.288SS..  0159.20-74.4169.4-69.600108.7L59 A208 L211 H212M1-L59 CarbonylContact C-O 3.55Å; M1-L59 VanDerWaalsContact CA-O 3.23Å; M1-L59 WeakPolarHBondContact CA-O 3.14Å; M1-L59 WeakPolarHBondContact CB-O 3.34Å; M1-A208 HydrophobicContact CE-CB 3.36Å; M1-A208 HydrophobicContact SD-CB 3.75Å; M1-L211 HydrophobicContact SD-CB 4.34Å; M1-L211 HydrophobicContact SD-CD1 4.31Å; M1-H212 WeakPolarHBondContact CE-NE2 3.49Å
2G87.6Confident83.2Confident26 Ų2662.5 Ų62.527%0.26833%0.325SS..EExtended strand (participates in β ladder)trans-117.3143173.100000110.9L58 L59G2-L58 WeakPolarHBondContact O-CA 3.47Å; G2-L59 PolarHBondContact N-O 3.17Å; G2-L59 PolarHBondContact O-N 2.72Å
3C92.2Very high81.8Confident33 Ų3364 Ų6422%0.22333%0.329CS..EExtended strand (participates in β ladder)trans-100.9134.9173.6-116.20000109.1L58 L178C3-L58 HydrophobicContact CB-CD2 4.39Å; C3-L58 WeakPolarHBondContact SG-CD2 3.15Å; C3-L178 HydrophobicContact CB-CD1 4.36Å
4T93.6Very high80.6Confident15 Ų1568.8 Ų68.89%0.09235%0.346CS..EExtended strand (participates in β ladder)trans-152.6-175.4178.3-168.20000110.9F9 A57 L59T4-F9 HydrophobicContact CG2-CD1 4.44Å; T4-F9 HydrophobicContact CG2-CE1 3.76Å; T4-A57 HydrophobicContact CG2-CB 4.34Å; T4-A57 PolarHBondContact N-O 3.25Å; T4-A57 PolarHBondContact O-N 2.93Å; T4-A57 VanDerWaalsContact O-O 3.1Å; T4-L59 HydrophobicContact CG2-CD1 3.9Å; T4-L59 HydrophobicContact CG2-CD2 4.29Å; T4-L59 HydrophobicContact CG2-CG 3.94Å
5T93.8Very high80.2Confident0 Ų071 Ų710%037%0.365CS..EExtended strand (participates in β ladder)trans-90.1143.4175.3550000112.6N7 L8 D55 G161 L178 T179 I195T5-N7 PolarHBondContact O-N 3.4Å; T5-N7 PolarHBondContact OG1-OD1 3.21Å; T5-L8 WeakPolarHBondContact O-CB 2.99Å; T5-L8 PolarHBondContact O-N 2.81Å; T5-D55 CarbonylContact C-O 3.55Å; T5-D55 WeakPolarHBondContact CA-O 3.48Å; T5-D55 VanDerWaalsContact CB-O 3.31Å; T5-D55 WeakPolarHBondContact CB-O 3.06Å; T5-G161 PolarHBondContact OG1-N 3.02Å; T5-L178 HydrophobicContact CG2-CB 4.2Å; T5-T179 VanDerWaalsContact CG2-O 3.23Å; T5-T179 WeakPolarHBondContact CG2-O 3.33Å; T5-I195 HydrophobicContact CG2-CD1 3.61Å
6A92.4Very high80.6Confident0 Ų068.8 Ų68.80%035%0.354CS..G310 helixtrans-70-22.5-177.800000112.8L8 K42 Y46 D55 A57A6-L8 PolarHBondContact O-N 3.36Å; A6-K42 HydrophobicContact CB-CB 4.31Å; A6-K42 HydrophobicContact CB-CD 4.18Å; A6-K42 HydrophobicContact CB-CG 4.16Å; A6-K42 WeakPolarHBondContact O-CE 2.97Å; A6-K42 PolarHBondContact O-NZ 2.84Å; A6-Y46 HydrophobicContact CB-CD1 3.45Å; A6-Y46 VanDerWaalsContact CB-CD1 3.45Å; A6-Y46 HydrophobicContact CB-CD2 3.98Å; A6-Y46 HydrophobicContact CB-CE1 3.59Å; A6-Y46 HydrophobicContact CB-CE2 4.11Å; A6-Y46 HydrophobicContact CB-CG 3.63Å; A6-D55 PolarHBondContact N-O 3.28Å; A6-D55 PolarHBondContact N-OD1 3.26Å; A6-A57 HydrophobicContact CB-CB 4.19Å
7N89.6Confident81Confident38 Ų3868.4 Ų68.420%0.20336%0.356CS..G310 helixtrans-69.7-13.5175.471.627.8000114.3T5 Y46 P50 D55 S180T5-N7 PolarHBondContact O-N 3.4Å; T5-N7 PolarHBondContact OG1-OD1 3.21Å; N7-Y46 VanDerWaalsContact CA-OH 3.29Å; N7-Y46 WeakPolarHBondContact CA-OH 3.39Å; N7-Y46 WeakPolarHBondContact CB-OH 3.35Å; N7-Y46 PolarHBondContact N-OH 3.06Å; N7-P50 HydrophobicContact CB-CB 4.45Å; N7-P50 HydrophobicContact CB-CG 4.12Å; N7-D55 VanDerWaalsContact CB-OD1 3.3Å; N7-D55 WeakPolarHBondContact CB-OD1 3.49Å; N7-D55 PolarHBondContact N-OD1 2.02Å; N7-D55 PolarHBondContact ND2-OD2 2.96Å; N7-S180 PolarHBondContact ND2-O 2.99Å
8L88.2Confident81.6Confident82 Ų8266.8 Ų66.843%0.42935%0.349SS..G310 helixtrans-81-21.2-165.8-156.9133.9000113.9T5 A6 S160T5-L8 WeakPolarHBondContact O-CB 2.99Å; T5-L8 PolarHBondContact O-N 2.81Å; A6-L8 PolarHBondContact O-N 3.36Å; L8-S160 WeakPolarHBondContact CD1-O 2.97Å
9F83.2Confident82.1Confident10 Ų1066.7 Ų66.74%0.04434%0.344CS..SBendtrans-141.9160.6-177.755-91.7000110.9T4 L16 Q40 K42 A57 L59T4-F9 HydrophobicContact CG2-CD1 4.44Å; T4-F9 HydrophobicContact CG2-CE1 3.76Å; F9-L16 HydrophobicContact CB-CD1 3.7Å; F9-L16 HydrophobicContact CG-CD1 4.06Å; F9-Q40 HydrophobicContact CD2-CB 4.36Å; F9-Q40 HydrophobicContact CD2-CG 4.46Å; F9-Q40 HydrophobicContact CE2-CB 3.65Å; F9-Q40 HydrophobicContact CE2-CG 4.14Å; F9-Q40 HydrophobicContact CZ-CB 4.07Å; F9-K42 HydrophobicContact CE2-CD 4.2Å; F9-K42 HydrophobicContact CE2-CG 3.81Å; F9-K42 HydrophobicContact CZ-CG 3.98Å; F9-K42 WeakPolarHBondContact O-CE 3.42Å; F9-K42 PolarHBondContact O-NZ 3.2Å; F9-A57 HydrophobicContact CE1-CB 3.84Å; F9-A57 HydrophobicContact CZ-CB 3.55Å; F9-L59 HydrophobicContact CD1-CD2 4.49Å; F9-L59 HydrophobicContact CE1-CD2 3.8Å; F9-L59 HydrophobicContact CZ-CD2 3.94Å
10R74.9Confident82.6Confident205 Ų20565 Ų6577%0.77434%0.336SS*.  trans-91.8151.9168.1-67.7-175.6178.4-1780.1109.7N12 E13R10-N12 PolarHBondContact O-N 2.91Å; R10-E13 PolarHBondContact N-OE2 3.11Å; R10-E13 WeakPolarHBondContact O-CB 3.39Å; R10-E13 PolarHBondContact O-N 2.79Å; R10-E13 VanDerWaalsContact O-N 3.1Å
11T64.3Low83Confident104 Ų10462.6 Ų62.664%0.63833%0.325SS*.THydrogen-bonded Turntrans-56.2-18.3-178.541.10000114.5K42T11-K42 HydrophobicContact CG2-CD 4.12Å
12N59.7Low83.6Confident137 Ų13759.7 Ų59.773%0.73331%0.313SS*.THydrogen-bonded Turntrans-107.610.9-176.5-64.6-7.7000114R10 K14R10-N12 PolarHBondContact O-N 2.91Å; N12-K14 PolarHBondContact O-N 2.77Å
13E65.3Low83.6Confident82 Ų8263 Ų6338%0.38332%0.322SS..  trans-79.693.4-176.7-162.7162.2-167.800110.5R10 T15 L16 Q40R10-E13 PolarHBondContact N-OE2 3.11Å; R10-E13 WeakPolarHBondContact O-CB 3.39Å; R10-E13 PolarHBondContact O-N 2.79Å; R10-E13 VanDerWaalsContact O-N 3.1Å; E13-T15 VanDerWaalsContact C-N 3.26Å; E13-T15 PolarHBondContact O-N 2.99Å; E13-L16 HydrophobicContact CB-CD1 4.1Å; E13-L16 HydrophobicContact CG-CD1 4.26Å; E13-L16 HydrophobicContact CG-CG 4.24Å; E13-Q40 PolarHBondContact O-NE2 3.06Å
14K64.2Low83.4Confident131 Ų13166.5 Ų66.557%0.5733%0.33SS*.THydrogen-bonded Turntrans-78.6-3.3-172.6-64.7-169.5178.1-171.80114.7N12N12-K14 PolarHBondContact O-N 2.77Å
15T75Confident82.9Confident102 Ų10269.2 Ų69.263%0.62634%0.344SS*.THydrogen-bonded Turntrans-113.315.9-167.554.30000113.6E13 T17E13-T15 VanDerWaalsContact C-N 3.26Å; E13-T15 PolarHBondContact O-N 2.99Å; T15-T17 PolarHBondContact O-N 3.03Å
16L85.9Confident82.5Confident35 Ų3573.8 Ų73.818%0.18338%0.376CS..  trans-68.2127.6179.8-80.8152.6000110.9F9 E13 V37 Q40F9-L16 HydrophobicContact CB-CD1 3.7Å; F9-L16 HydrophobicContact CG-CD1 4.06Å; E13-L16 HydrophobicContact CB-CD1 4.1Å; E13-L16 HydrophobicContact CG-CD1 4.26Å; E13-L16 HydrophobicContact CG-CG 4.24Å; L16-V37 HydrophobicContact CB-CB 3.99Å; L16-V37 HydrophobicContact CB-CG2 3.86Å; L16-V37 PolarHBondContact O-N 3.39Å; L16-Q40 VanDerWaalsContact CD1-CD 3.48Å; L16-Q40 HydrophobicContact CD1-CG 4.34Å
17T88Confident82.4Confident63 Ų6376.3 Ų76.339%0.38739%0.394SS..EExtended strand (participates in β ladder)trans-125.6134.9174.4-57.50000109T15 F34 F248T15-T17 PolarHBondContact O-N 3.03Å; T17-F34 HydrophobicContact CG2-CB 4.27Å; T17-F34 HydrophobicContact CG2-CD1 4.22Å; T17-F248 HydrophobicContact CG2-CZ 4.36Å
18V91.3Very high82.4Confident40 Ų4080.6 Ų80.624%0.24242%0.416CS..EExtended strand (participates in β ladder)trans-97.2130.2174.9177.80000108.8V20 F34 S35 V37 L59 L61V18-V20 HydrophobicContact CG1-CG1 3.95Å; V18-F34 CarbonylContact O-C 3.53Å; V18-F34 WeakPolarHBondContact O-CA 3.46Å; V18-S35 PolarHBondContact N-O 2.66Å; V18-S35 PolarHBondContact O-N 3.34Å; V18-V37 HydrophobicContact CG2-CG2 3.85Å; V18-L59 HydrophobicContact CG2-CD1 4.44Å; V18-L61 HydrophobicContact CB-CD2 3.9Å; V18-L61 HydrophobicContact CG1-CD2 4.48Å; V18-L61 HydrophobicContact CG2-CD2 3.71Å
19R91.6Very high82.4Confident65 Ų6577.9 Ų77.925%0.24540%0.403CS..EExtended strand (participates in β ladder)trans-109127.8170.9-174.2-176176-165.9-9.1108.5V22 R24 S27 D32 Q33 F34R19-V22 HydrophobicContact CB-CG2 4.21Å; R19-V22 HydrophobicContact CG-CG2 3.55Å; R19-R24 PolarHBondContact NH2-O 3.48Å; R19-S27 PolarHBondContact NH2-O 2.82Å; R19-D32 IonicContact CZ-OD2 3.62Å; R19-D32 VanDerWaalsContact CZ-OD2 3.23Å; R19-D32 IonicContact NE-OD2 3.85Å; R19-D32 PolarHBondContact NE-OD2 2.96Å; R19-D32 IonicContact NH2-OD2 3.36Å; R19-D32 PolarHBondContact NH2-OD2 3Å; R19-Q33 WeakPolarHBondContact CA-O 3.26Å; R19-F34 HydrophobicContact CB-CD1 3.99Å; R19-F34 HydrophobicContact CB-CE1 3.74Å; R19-F34 HydrophobicContact CB-CZ 4.39Å; R19-F34 HydrophobicContact CG-CD1 4.03Å; R19-F34 HydrophobicContact CG-CE1 3.44Å; R19-F34 VanDerWaalsContact CG-CE1 3.44Å; R19-F34 HydrophobicContact CG-CE2 4.31Å; R19-F34 HydrophobicContact CG-CZ 3.58Å
20V92.7Very high82.7Confident32 Ų3283.5 Ų83.519%0.19444%0.441CS..EExtended strand (participates in β ladder)trans-120.4168.4176.6-59.40000111.4V18 V22 D32 Q33 L65 A71V18-V20 HydrophobicContact CG1-CG1 3.95Å; V20-V22 PolarHBondContact O-N 3.19Å; V20-D32 WeakPolarHBondContact O-CA 3.41Å; V20-Q33 HydrophobicContact CG2-CB 3.66Å; V20-Q33 HydrophobicContact CG2-CG 4.4Å; V20-Q33 PolarHBondContact N-O 3.22Å; V20-Q33 PolarHBondContact O-N 3.4Å; V20-L65 HydrophobicContact CB-CD1 4.32Å; V20-L65 HydrophobicContact CG1-CD1 3.59Å; V20-L65 HydrophobicContact CG2-CD1 3.79Å; V20-L65 HydrophobicContact CG2-CD2 3.89Å; V20-L65 HydrophobicContact CG2-CG 4.35Å; V20-A71 HydrophobicContact CG2-CB 4.29Å
21S91.3Very high83.4Confident15 Ų1579.9 Ų79.911%0.10543%0.428CS..SBendtrans65.718-174.4-420000115.3Q23 Y31S21-Q23 PolarHBondContact O-N 3.43Å; S21-Q23 VanDerWaalsContact O-N 3.16Å; S21-Y31 WeakPolarHBondContact CB-O 3.32Å; S21-Y31 PolarHBondContact OG-O 3.49Å
22V90.3Very high84.8Confident38 Ų3875.8 Ų75.823%0.2340%0.402CS..  trans-64.8116.4-174-175.70000110.8R19 V20 R24 M101R19-V22 HydrophobicContact CB-CG2 4.21Å; R19-V22 HydrophobicContact CG-CG2 3.55Å; V20-V22 PolarHBondContact O-N 3.19Å; V22-R24 WeakPolarHBondContact CG1-O 3.23Å; V22-M101 HydrophobicContact CG1-SD 3.65Å
23Q87.2Confident86.3Confident97 Ų9770.9 Ų70.945%0.45338%0.375SS..SBendtrans-98.4-37.7170.9-67.3-178.8-18.700112.3S21 M70 Y113 P114S21-Q23 PolarHBondContact O-N 3.43Å; S21-Q23 VanDerWaalsContact O-N 3.16Å; Q23-M70 PolarHBondContact NE2-SD 3.1Å; Q23-M70 VanDerWaalsContact NE2-SD 3.42Å; Q23-Y113 WeakPolarHBondContact O-CD1 3.3Å; Q23-P114 WeakPolarHBondContact O-CD 3.32Å
24R88.3Confident87.5Confident106 Ų10671.1 Ų71.140%0.438%0.375SS..  trans-127.8138.5177.2-78.7-176.1-176.2-128.119.1111.1R19 V22 S27 D112 Y113R19-R24 PolarHBondContact NH2-O 3.48Å; V22-R24 WeakPolarHBondContact CG1-O 3.23Å; R24-S27 VanDerWaalsContact CB-OG 3.23Å; R24-S27 WeakPolarHBondContact CB-OG 3.23Å; R24-S27 WeakPolarHBondContact CD-OG 3.26Å; R24-D112 CarbonylContact C-O 3.49Å; R24-D112 WeakPolarHBondContact CA-O 3.46Å; R24-D112 IonicContact CZ-OD2 3.35Å; R24-D112 IonicContact NE-OD2 3.8Å; R24-D112 IonicContact NH1-OD2 3.21Å; R24-D112 PolarHBondContact NH1-OD2 3.48Å; R24-Y113 HydrophobicContact CG-CD1 3.91Å; R24-Y113 HydrophobicContact CG-CE1 3.5Å; R24-Y113 VanDerWaalsContact CG-CE1 3.5Å; R24-Y113 PolarHBondContact NE-OH 2.84Å; R24-Y113 VanDerWaalsContact NE-OH 3.12Å; R24-Y113 PolarHBondContact NH1-OH 3.46Å; R24-Y113 PolarHBondContact NH2-OH 3.22Å
25N83.8Confident88.8Confident72 Ų7264.9 Ų64.939%0.38535%0.348SS..SBendtrans-75.2-43.2178.1-158.68.8000110.9S27 M101 D112N25-S27 VanDerWaalsContact C-N 3.33Å; N25-S27 PolarHBondContact O-N 3.44Å; N25-M101 HydrophobicContact CB-CE 3.82Å; N25-M101 HydrophobicContact CB-SD 3.69Å; N25-D112 PolarHBondContact N-O 1.98Å; N25-D112 PolarHBondContact N-OD1 3.13Å
26S86Confident89.3Confident96 Ų9660.3 Ų60.367%0.67132%0.32SS*.SBendtrans-77.4-12.1-173.863.80000115D112S26-D112 WeakPolarHBondContact CB-OD1 3.23Å; S26-D112 PolarHBondContact N-OD1 3.2Å; S26-D112 VanDerWaalsContact OG-CG 3.26Å; S26-D112 PolarHBondContact OG-OD1 3.19Å; S26-D112 PolarHBondContact OG-OD2 3.33Å
27S89.2Confident89.3Confident53 Ų5359.3 Ų59.337%0.37132%0.315SS..SBendtrans-134.8148.4-177.165.20000112.1R19 R24 N25R19-S27 PolarHBondContact NH2-O 2.82Å; R24-S27 VanDerWaalsContact CB-OG 3.23Å; R24-S27 WeakPolarHBondContact CB-OG 3.23Å; R24-S27 WeakPolarHBondContact CD-OG 3.26Å; N25-S27 VanDerWaalsContact C-N 3.33Å; N25-S27 PolarHBondContact O-N 3.44Å
28L89.4Confident89.2Confident127 Ų12757.5 Ų57.567%0.66531%0.305SS*.  trans-83.5135.2171.5-68.7167000110.6F34L28-F34 HydrophobicContact CD2-CE2 3.84Å; L28-F34 HydrophobicContact CD2-CZ 3.4Å; L28-F34 VanDerWaalsContact CD2-CZ 3.4Å
29S88.6Confident88.9Confident25 Ų2556.9 Ų56.918%0.17530%0.3CS..  trans-99.9148172179.90000110.2Y31 D32S29-Y31 PolarHBondContact O-N 2.79Å; S29-Y31 VanDerWaalsContact OG-CD2 3.28Å; S29-Y31 WeakPolarHBondContact OG-CD2 3.32Å; S29-Y31 PolarHBondContact OG-N 2.69Å; S29-D32 WeakPolarHBondContact CB-OD1 3.36Å; S29-D32 PolarHBondContact N-OD2 2.85Å; S29-D32 WeakPolarHBondContact O-CB 3.23Å; S29-D32 PolarHBondContact O-N 3.18Å
30P89Confident88.7Confident128 Ų12856.3 Ų56.383%0.83130%0.3SS*.THydrogen-bonded Turntrans-56.7-18.9170-24.734.5000114.1
31Y91.1Very high88.6Confident129 Ų12957.2 Ų57.251%0.50630%0.303SS..THydrogen-bonded Turntrans-89.8-10179.2-52.6-62000113.8S21 S29 Q33 M70S21-Y31 WeakPolarHBondContact CB-O 3.32Å; S21-Y31 PolarHBondContact OG-O 3.49Å; S29-Y31 PolarHBondContact O-N 2.79Å; S29-Y31 VanDerWaalsContact OG-CD2 3.28Å; S29-Y31 WeakPolarHBondContact OG-CD2 3.32Å; S29-Y31 PolarHBondContact OG-N 2.69Å; Y31-Q33 PolarHBondContact O-N 2.66Å; Y31-M70 HydrophobicContact CD1-CE 3.24Å; Y31-M70 HydrophobicContact CD2-CE 3.36Å; Y31-M70 HydrophobicContact CD2-SD 3.64Å; Y31-M70 HydrophobicContact CE1-CE 3.64Å; Y31-M70 HydrophobicContact CE2-CE 3.76Å; Y31-M70 HydrophobicContact CE2-SD 4.25Å; Y31-M70 HydrophobicContact CG-CE 3.08Å; Y31-M70 HydrophobicContact CG-SD 3.78Å
32D92Very high88.7Confident18 Ų1858.7 Ų58.710%0.09631%0.308CS..  trans-65.7134.6178.6-68.7-10.6000109.7R19 V20 S29 F34R19-D32 IonicContact CZ-OD2 3.62Å; R19-D32 VanDerWaalsContact CZ-OD2 3.23Å; R19-D32 IonicContact NE-OD2 3.85Å; R19-D32 PolarHBondContact NE-OD2 2.96Å; R19-D32 IonicContact NH2-OD2 3.36Å; R19-D32 PolarHBondContact NH2-OD2 3Å; V20-D32 WeakPolarHBondContact O-CA 3.41Å; S29-D32 WeakPolarHBondContact CB-OD1 3.36Å; S29-D32 PolarHBondContact N-OD2 2.85Å; S29-D32 WeakPolarHBondContact O-CB 3.23Å; S29-D32 PolarHBondContact O-N 3.18Å; D32-F34 HydrophobicContact CB-CE2 3.91Å; D32-F34 HydrophobicContact CB-CZ 4.43Å
33Q92.4Very high88.9Confident35 Ų3558 Ų5816%0.16430%0.302CS..EExtended strand (participates in β ladder)trans-120.9139.5173-56.4176.261.800109.2R19 V20 Y31 L65 K66R19-Q33 WeakPolarHBondContact CA-O 3.26Å; V20-Q33 HydrophobicContact CG2-CB 3.66Å; V20-Q33 HydrophobicContact CG2-CG 4.4Å; V20-Q33 PolarHBondContact N-O 3.22Å; V20-Q33 PolarHBondContact O-N 3.4Å; Y31-Q33 PolarHBondContact O-N 2.66Å; Q33-L65 HydrophobicContact CB-CD2 3.81Å; Q33-K66 PolarHBondContact NE2-O 3.49Å; Q33-K66 PolarHBondContact OE1-O 2.88Å
34F91.3Very high89.2Confident87 Ų8758.4 Ų58.438%0.38232%0.316SS..EExtended strand (participates in β ladder)trans-115.8137.4179-64.8-93.9000109.4T17 V18 R19 L28 D32 F248T17-F34 HydrophobicContact CG2-CB 4.27Å; T17-F34 HydrophobicContact CG2-CD1 4.22Å; V18-F34 CarbonylContact O-C 3.53Å; V18-F34 WeakPolarHBondContact O-CA 3.46Å; R19-F34 HydrophobicContact CB-CD1 3.99Å; R19-F34 HydrophobicContact CB-CE1 3.74Å; R19-F34 HydrophobicContact CB-CZ 4.39Å; R19-F34 HydrophobicContact CG-CD1 4.03Å; R19-F34 HydrophobicContact CG-CE1 3.44Å; R19-F34 VanDerWaalsContact CG-CE1 3.44Å; R19-F34 HydrophobicContact CG-CE2 4.31Å; R19-F34 HydrophobicContact CG-CZ 3.58Å; L28-F34 HydrophobicContact CD2-CE2 3.84Å; L28-F34 HydrophobicContact CD2-CZ 3.4Å; L28-F34 VanDerWaalsContact CD2-CZ 3.4Å; D32-F34 HydrophobicContact CB-CE2 3.91Å; D32-F34 HydrophobicContact CB-CZ 4.43Å; F34-F248 HydrophobicContact CB-CE1 3.99Å
35S89.6Confident89.5Confident0 Ų059.2 Ų59.20%033%0.325CS..EExtended strand (participates in β ladder)trans-144.8124.8172.3-171.80000110.6V18 I63V18-S35 PolarHBondContact N-O 2.66Å; V18-S35 PolarHBondContact O-N 3.34Å; S35-I63 WeakPolarHBondContact CB-O 3.13Å; S35-I63 PolarHBondContact OG-N 2.84Å; S35-I63 VanDerWaalsContact OG-N 3.1Å; S35-I63 PolarHBondContact OG-O 2.92Å
36P86.2Confident89.9Confident5 Ų557.5 Ų57.53%0.03231%0.314CS..EExtended strand (participates in β ladder)trans-59.9155.9170.6-26.338.1000111.6L61 A62 L229 F248P36-L61 CarbonylContact O-C 3.59Å; P36-L61 WeakPolarHBondContact O-CA 3.41Å; P36-A62 HydrophobicContact CB-CB 4.02Å; P36-A62 WeakPolarHBondContact O-CB 3.33Å; P36-A62 PolarHBondContact O-N 2.86Å; P36-L229 HydrophobicContact CB-CD2 4.42Å; P36-L229 HydrophobicContact CG-CD2 3.88Å; P36-L229 HydrophobicContact CG-CG 4.35Å; P36-F248 HydrophobicContact CB-CE2 4.39Å; P36-F248 HydrophobicContact CG-CD2 3.59Å; P36-F248 HydrophobicContact CG-CE1 4.19Å; P36-F248 HydrophobicContact CG-CE2 3Å; P36-F248 HydrophobicContact CG-CG 4.37Å; P36-F248 HydrophobicContact CG-CZ 3.37Å
37V86.9Confident90.1Very high14 Ų1458.1 Ų58.19%0.08531%0.313CS..EExtended strand (participates in β ladder)trans-90.7117.7170.7179.80000108.7L16 V18 H39 Q40 L59 R60L16-V37 HydrophobicContact CB-CB 3.99Å; L16-V37 HydrophobicContact CB-CG2 3.86Å; L16-V37 PolarHBondContact O-N 3.39Å; V18-V37 HydrophobicContact CG2-CG2 3.85Å; V37-H39 WeakPolarHBondContact CG1-O 3.3Å; V37-Q40 HydrophobicContact CG1-CG 3.63Å; V37-L59 HydrophobicContact CG1-CB 4.09Å; V37-L59 HydrophobicContact CG1-CD2 4.05Å; V37-L59 HydrophobicContact CG2-CB 4.39Å; V37-L59 HydrophobicContact CG2-CD1 4.25Å; V37-R60 CarbonylContact C-O 3.56Å; V37-R60 WeakPolarHBondContact CA-O 3.29Å
38S84.2Confident90.1Very high26 Ų2658.1 Ų58.118%0.18232%0.321CS..EExtended strand (participates in β ladder)trans-79.5-38.9175.159.20000112.3R60S38-R60 PolarHBondContact N-O 2.04Å; S38-R60 WeakPolarHBondContact OG-CG 3.35Å; S38-R60 PolarHBondContact OG-O 2.92Å; S38-R60 VanDerWaalsContact OG-O 3.08Å
39H86.3Confident90Very high27 Ų2757.4 Ų57.413%0.12531%0.31CS..EExtended strand (participates in β ladder)trans-140147.4-178.3-61.382.9000111.2V37 L59 R60 L211 E214 K215V37-H39 WeakPolarHBondContact CG1-O 3.3Å; H39-L59 WeakPolarHBondContact O-CA 3.39Å; H39-R60 HydrophobicContact CB-CB 3.96Å; H39-R60 PolarHBondContact N-O 3.36Å; H39-R60 PolarHBondContact O-N 2.96Å; H39-L211 HydrophobicContact CB-CD2 3.59Å; H39-E214 IonicContact CD2-OE2 3.13Å; H39-E214 PolarHBondContact CD2-OE2 3.44Å; H39-E214 IonicContact CG-OE2 3.84Å; H39-E214 IonicContact NE2-OE2 3.03Å; H39-K215 PolarHBondContact CE1-O 3.35Å; H39-K215 VanDerWaalsContact CE1-O 3.24Å; H39-K215 PolarHBondContact NE2-O 3.4Å
40Q87.6Confident89.8Confident52 Ų5258.9 Ų58.924%0.24332%0.319CS..EExtended strand (participates in β ladder)trans-129.5115.7-179.3-63.716451.100107.6F9 E13 L16 V37 L59F9-Q40 HydrophobicContact CD2-CB 4.36Å; F9-Q40 HydrophobicContact CD2-CG 4.46Å; F9-Q40 HydrophobicContact CE2-CB 3.65Å; F9-Q40 HydrophobicContact CE2-CG 4.14Å; F9-Q40 HydrophobicContact CZ-CB 4.07Å; E13-Q40 PolarHBondContact O-NE2 3.06Å; L16-Q40 VanDerWaalsContact CD1-CD 3.48Å; L16-Q40 HydrophobicContact CD1-CG 4.34Å; V37-Q40 HydrophobicContact CG1-CG 3.63Å; Q40-L59 HydrophobicContact CB-CD2 4.28Å; Q40-L59 HydrophobicContact CG-CD2 3.85Å
41L90.8Very high89.7Confident51 Ų5152.8 Ų52.827%0.26728%0.279SS..EExtended strand (participates in β ladder)trans-116.9104.8-178.8-178.557.6000109.4A57 L58 A207 L211L41-A57 CarbonylContact O-C 3.58Å; L41-A57 WeakPolarHBondContact O-CA 3.2Å; L41-A57 WeakPolarHBondContact O-CB 3.23Å; L41-L58 PolarHBondContact N-O 3.24Å; L41-L58 PolarHBondContact O-N 3.44Å; L41-A207 HydrophobicContact CD2-CB 3.62Å; L41-L211 HydrophobicContact CB-CD1 4.09Å; L41-L211 HydrophobicContact CB-CD2 4.07Å; L41-L211 HydrophobicContact CB-CG 4.26Å; L41-L211 HydrophobicContact CD2-CD1 4.26Å; L41-L211 HydrophobicContact CD2-CD2 4.39Å; L41-L211 HydrophobicContact CD2-CG 3.97Å
42K92.7Very high89.7Confident46 Ų4647.1 Ų47.120%0.226%0.26CS..EExtended strand (participates in β ladder)trans-80.7148.5171-61.5-172.7-179.8-155.70109.7A6 F9 T11 S44 Y46 A57A6-K42 HydrophobicContact CB-CB 4.31Å; A6-K42 HydrophobicContact CB-CD 4.18Å; A6-K42 HydrophobicContact CB-CG 4.16Å; A6-K42 WeakPolarHBondContact O-CE 2.97Å; A6-K42 PolarHBondContact O-NZ 2.84Å; F9-K42 HydrophobicContact CE2-CD 4.2Å; F9-K42 HydrophobicContact CE2-CG 3.81Å; F9-K42 HydrophobicContact CZ-CG 3.98Å; F9-K42 WeakPolarHBondContact O-CE 3.42Å; F9-K42 PolarHBondContact O-NZ 3.2Å; T11-K42 HydrophobicContact CG2-CD 4.12Å; K42-S44 PolarHBondContact O-N 2.91Å; K42-Y46 HydrophobicContact CD-CD1 4.3Å; K42-A57 HydrophobicContact CG-CB 4.2Å
43H94.3Very high89.7Confident23 Ų2348.5 Ų48.511%0.10627%0.269CS..  trans-56.7130.8169.5-165.5-74.8000110.1M45 Y46 N54 I56 Y200 W203H43-M45 PolarHBondContact ND1-N 3.33Å; H43-M45 PolarHBondContact O-N 2.82Å; H43-Y46 WeakPolarHBondContact O-CB 2.91Å; H43-Y46 PolarHBondContact O-N 3.13Å; H43-N54 HydrophobicContact CB-CB 4.19Å; H43-I56 HydrophobicContact CB-CG2 3.72Å; H43-I56 WeakPolarHBondContact CB-O 3.35Å; H43-I56 PolarHBondContact N-O 2.66Å; H43-Y200 AromaticContact CD2-CD1 3.85Å; H43-Y200 AromaticContact CD2-CE1 3.72Å; H43-Y200 AromaticContact NE2-CD1 3.97Å; H43-Y200 AromaticContact NE2-CE1 3.71Å; H43-W203 HydrophobicContact CB-CH2 4.47Å; H43-W203 HydrophobicContact CB-CZ2 3.97Å; H43-W203 AromaticContact CD2-CD1 3.61Å; H43-W203 AromaticContact CD2-CD2 3.54Å; H43-W203 AromaticContact CD2-CE2 3.46Å; H43-W203 VanDerWaalsContact CD2-CE2 3.46Å; H43-W203 AromaticContact CD2-CG 3.66Å; H43-W203 AromaticContact CD2-NE1 3.48Å; H43-W203 PolarHBondContact CD2-NE1 2.01Å; H43-W203 AromaticContact NE2-CD1 3.7Å; H43-W203 AromaticContact NE2-CG 3.89Å; H43-W203 AromaticContact NE2-NE1 3.96Å
44S93.5Very high89.8Confident106 Ų10648.1 Ų48.174%0.74127%0.268SS*.THydrogen-bonded Turntrans-59.3-33.4-173.753.30000113.2K42 Y46K42-S44 PolarHBondContact O-N 2.91Å; S44-Y46 VanDerWaalsContact C-N 3.29Å; S44-Y46 PolarHBondContact O-N 2.65Å
45M94.1Very high90Very high123 Ų12344 Ų4461%0.60625%0.25SS*.THydrogen-bonded Turntrans-86.112.8177.5-58.1-62.2-69.100114.3H43 N54H43-M45 PolarHBondContact ND1-N 3.33Å; H43-M45 PolarHBondContact O-N 2.82Å; M45-N54 HydrophobicContact CB-CB 4.31Å; M45-N54 WeakPolarHBondContact CB-ND2 2.98Å; M45-N54 PolarHBondContact O-ND2 2.63Å; M45-N54 VanDerWaalsContact O-ND2 3.13Å
46Y93.2Very high90.3Very high37 Ų3744 Ų4415%0.14525%0.25CS..  trans-76.7127.8175.6179.9-120.3000111.6A6 N7 K42 H43 S44 G48 R49 N54 D55A6-Y46 HydrophobicContact CB-CD1 3.45Å; A6-Y46 VanDerWaalsContact CB-CD1 3.45Å; A6-Y46 HydrophobicContact CB-CD2 3.98Å; A6-Y46 HydrophobicContact CB-CE1 3.59Å; A6-Y46 HydrophobicContact CB-CE2 4.11Å; A6-Y46 HydrophobicContact CB-CG 3.63Å; N7-Y46 VanDerWaalsContact CA-OH 3.29Å; N7-Y46 WeakPolarHBondContact CA-OH 3.39Å; N7-Y46 WeakPolarHBondContact CB-OH 3.35Å; N7-Y46 PolarHBondContact N-OH 3.06Å; K42-Y46 HydrophobicContact CD-CD1 4.3Å; H43-Y46 WeakPolarHBondContact O-CB 2.91Å; H43-Y46 PolarHBondContact O-N 3.13Å; S44-Y46 VanDerWaalsContact C-N 3.29Å; S44-Y46 PolarHBondContact O-N 2.65Å; Y46-G48 VanDerWaalsContact CE1-CA 3.41Å; Y46-G48 VanDerWaalsContact CZ-CA 3.41Å; Y46-G48 WeakPolarHBondContact OH-CA 3.35Å; Y46-R49 PolarHBondContact OH-N 3.34Å; Y46-N54 WeakPolarHBondContact CB-O 3.3Å; Y46-N54 VanDerWaalsContact CD2-O 3.32Å; Y46-N54 WeakPolarHBondContact CD2-O 3.22Å; Y46-D55 HydrophobicContact CD2-CB 4.2Å; Y46-D55 HydrophobicContact CE2-CB 3.81Å; Y46-D55 VanDerWaalsContact CE2-OD1 3.23Å; Y46-D55 WeakPolarHBondContact CE2-OD1 3.07Å; Y46-D55 PolarHBondContact OH-OD1 3.38Å
47V90.5Very high90.7Very high109 Ų10943.8 Ų43.866%0.66125%0.249SC*.  trans-102.39.1-173.8-610000114.7R49V47-R49 HydrophobicContact CG2-CB 4.25Å
48G89.3Confident91Very high52 Ų5243.3 Ų43.354%0.53625%0.246SC..SBendtrans79.720177.500000115.1Y46Y46-G48 VanDerWaalsContact CE1-CA 3.41Å; Y46-G48 VanDerWaalsContact CZ-CA 3.41Å; Y46-G48 WeakPolarHBondContact OH-CA 3.35Å
49R87Confident91.3Very high113 Ų11343 Ų4343%0.42624%0.242SC..  trans-115.6115.1-178.8-169.6-179-170.4157.64.8111.5Y46 V47 G52 E136Y46-R49 PolarHBondContact OH-N 3.34Å; V47-R49 HydrophobicContact CG2-CB 4.25Å; R49-G52 WeakPolarHBondContact O-CA 3.2Å; R49-G52 PolarHBondContact O-N 2.93Å; R49-E136 PolarHBondContact NH2-O 2.91Å
50P84.5Confident91.5Very high55 Ų5543.5 Ų43.536%0.35724%0.243SC..THydrogen-bonded Turntrans-59.1136.9172.1-22.232.1000111.6N7 G52 K181N7-P50 HydrophobicContact CB-CB 4.45Å; N7-P50 HydrophobicContact CB-CG 4.12Å; P50-G52 PolarHBondContact O-N 3.08Å; P50-K181 HydrophobicContact CB-CD 4.43Å
51G86.4Confident91.6Very high0 Ų042.3 Ų42.30%024%0.238CC..THydrogen-bonded Turntrans72.92.8-17300000113.7Q144 S180G51-Q144 VanDerWaalsContact C-NE2 3.34Å; G51-Q144 PolarHBondContact O-NE2 3.46Å; G51-S180 WeakPolarHBondContact CA-OG 2.86Å; G51-S180 PolarHBondContact N-OG 3.22Å
52G90.5Very high91.3Very high11 Ų1141.2 Ų41.211%0.11324%0.236CC..SBendtrans-85.7177.6173.600000112.6R49 P50 Q144R49-G52 WeakPolarHBondContact O-CA 3.2Å; R49-G52 PolarHBondContact O-N 2.93Å; P50-G52 PolarHBondContact O-N 3.08Å; G52-Q144 PolarHBondContact O-NE2 3.1Å
53T93Very high91Very high46 Ų4640.7 Ų40.728%0.28224%0.235SC..THydrogen-bonded Turntrans-67.3150.1179.7640000111D55 E143T53-D55 PolarHBondContact O-N 3.24Å; T53-E143 WeakPolarHBondContact CG2-OE1 3.3Å
54N94.8Very high90.7Very high27 Ų2745 Ų4514%0.14427%0.266CS..THydrogen-bonded Turntrans58.729.1174.4-49.8-51.2000115.1H43 M45 Y46 I56 Y200H43-N54 HydrophobicContact CB-CB 4.19Å; M45-N54 HydrophobicContact CB-CB 4.31Å; M45-N54 WeakPolarHBondContact CB-ND2 2.98Å; M45-N54 PolarHBondContact O-ND2 2.63Å; M45-N54 VanDerWaalsContact O-ND2 3.13Å; Y46-N54 WeakPolarHBondContact CB-O 3.3Å; Y46-N54 VanDerWaalsContact CD2-O 3.32Å; Y46-N54 WeakPolarHBondContact CD2-O 3.22Å; N54-I56 PolarHBondContact O-N 3.32Å; N54-Y200 VanDerWaalsContact CA-OH 3.23Å; N54-Y200 WeakPolarHBondContact CA-OH 3.07Å; N54-Y200 PolarHBondContact N-OH 2.78Å; N54-Y200 PolarHBondContact OD1-OH 3.13Å
55D95.1Very high90.6Very high1 Ų142.8 Ų42.81%0.00525%0.245CC..  trans-73.137.7178.9-167.417.2000113.5T5 A6 N7 Y46 T53 S180 I195T5-D55 CarbonylContact C-O 3.55Å; T5-D55 WeakPolarHBondContact CA-O 3.48Å; T5-D55 VanDerWaalsContact CB-O 3.31Å; T5-D55 WeakPolarHBondContact CB-O 3.06Å; A6-D55 PolarHBondContact N-O 3.28Å; A6-D55 PolarHBondContact N-OD1 3.26Å; N7-D55 VanDerWaalsContact CB-OD1 3.3Å; N7-D55 WeakPolarHBondContact CB-OD1 3.49Å; N7-D55 PolarHBondContact N-OD1 2.02Å; N7-D55 PolarHBondContact ND2-OD2 2.96Å; Y46-D55 HydrophobicContact CD2-CB 4.2Å; Y46-D55 HydrophobicContact CE2-CB 3.81Å; Y46-D55 VanDerWaalsContact CE2-OD1 3.23Å; Y46-D55 WeakPolarHBondContact CE2-OD1 3.07Å; Y46-D55 PolarHBondContact OH-OD1 3.38Å; T53-D55 PolarHBondContact O-N 3.24Å; D55-S180 PolarHBondContact OD2-OG 2.79Å; D55-I195 HydrophobicContact CB-CD1 4.06Å; D55-I195 WeakPolarHBondContact O-CD1 3.41Å
56I95.1Very high90.5Very high0 Ų044.6 Ų44.60%025%0.249CC..EExtended strand (participates in β ladder)trans-115.1143.8-174.4-168.3173.3000111.3H43 N54 L178 I195 I197 Y200 W203 I204H43-I56 HydrophobicContact CB-CG2 3.72Å; H43-I56 WeakPolarHBondContact CB-O 3.35Å; H43-I56 PolarHBondContact N-O 2.66Å; N54-I56 PolarHBondContact O-N 3.32Å; I56-L178 HydrophobicContact CG1-CD1 4.42Å; I56-I195 HydrophobicContact CB-CD1 4.15Å; I56-I195 HydrophobicContact CB-CG2 4.42Å; I56-I197 HydrophobicContact CD1-CD1 3.63Å; I56-Y200 HydrophobicContact CD1-CD2 4.2Å; I56-Y200 HydrophobicContact CD1-CG 4.01Å; I56-Y200 HydrophobicContact CG2-CD1 3.91Å; I56-Y200 HydrophobicContact CG2-CD2 4.48Å; I56-Y200 HydrophobicContact CG2-CE1 4Å; I56-Y200 HydrophobicContact CG2-CG 4.17Å; I56-W203 HydrophobicContact CB-CZ3 4.38Å; I56-W203 HydrophobicContact CD1-CE3 4.19Å; I56-W203 HydrophobicContact CD1-CZ3 3.83Å; I56-W203 HydrophobicContact CG1-CH2 4.44Å; I56-W203 HydrophobicContact CG1-CZ3 3.81Å; I56-W203 HydrophobicContact CG2-CE3 4.09Å; I56-W203 HydrophobicContact CG2-CH2 4.11Å; I56-W203 HydrophobicContact CG2-CZ3 3.77Å; I56-I204 HydrophobicContact CD1-CD1 4.09Å; I56-I204 HydrophobicContact CD1-CG1 4.27Å
57A94.2Very high90.4Very high0 Ų047 Ų470%027%0.271CS..EExtended strand (participates in β ladder)trans-146.1153.2174.900000112.6T4 A6 F9 L41 K42T4-A57 HydrophobicContact CG2-CB 4.34Å; T4-A57 PolarHBondContact N-O 3.25Å; T4-A57 PolarHBondContact O-N 2.93Å; T4-A57 VanDerWaalsContact O-O 3.1Å; A6-A57 HydrophobicContact CB-CB 4.19Å; F9-A57 HydrophobicContact CE1-CB 3.84Å; F9-A57 HydrophobicContact CZ-CB 3.55Å; L41-A57 CarbonylContact O-C 3.58Å; L41-A57 WeakPolarHBondContact O-CA 3.2Å; L41-A57 WeakPolarHBondContact O-CB 3.23Å; K42-A57 HydrophobicContact CG-CB 4.2Å
58L93.8Very high90.5Very high5 Ų543.6 Ų43.63%0.02625%0.251CS..EExtended strand (participates in β ladder)trans-110.6142.3173.6-78.5169.1000111.2G2 C3 L41 W203 I204 A207 L211G2-L58 WeakPolarHBondContact O-CA 3.47Å; C3-L58 HydrophobicContact CB-CD2 4.39Å; C3-L58 WeakPolarHBondContact SG-CD2 3.15Å; L41-L58 PolarHBondContact N-O 3.24Å; L41-L58 PolarHBondContact O-N 3.44Å; L58-W203 HydrophobicContact CD1-CH2 4.15Å; L58-W203 HydrophobicContact CD1-CZ3 4.07Å; L58-W203 HydrophobicContact CG-CH2 4.07Å; L58-W203 HydrophobicContact CG-CZ3 4.07Å; L58-I204 HydrophobicContact CD1-CG2 4.32Å; L58-I204 HydrophobicContact CD2-CG2 4.36Å; L58-A207 HydrophobicContact CD1-CB 3.46Å; L58-A207 VanDerWaalsContact CD1-CB 3.46Å; L58-L211 HydrophobicContact CB-CD1 3.8Å
59L91.7Very high90.6Very high18 Ų1847.3 Ų47.39%0.09427%0.266CS..EExtended strand (participates in β ladder)trans-116.7124.3177.3-54.9179.6000109.2M1 G2 T4 F9 V18 V37 H39 Q40M1-L59 CarbonylContact C-O 3.55Å; M1-L59 VanDerWaalsContact CA-O 3.23Å; M1-L59 WeakPolarHBondContact CA-O 3.14Å; M1-L59 WeakPolarHBondContact CB-O 3.34Å; G2-L59 PolarHBondContact N-O 3.17Å; G2-L59 PolarHBondContact O-N 2.72Å; T4-L59 HydrophobicContact CG2-CD1 3.9Å; T4-L59 HydrophobicContact CG2-CD2 4.29Å; T4-L59 HydrophobicContact CG2-CG 3.94Å; F9-L59 HydrophobicContact CD1-CD2 4.49Å; F9-L59 HydrophobicContact CE1-CD2 3.8Å; F9-L59 HydrophobicContact CZ-CD2 3.94Å; V18-L59 HydrophobicContact CG2-CD1 4.44Å; V37-L59 HydrophobicContact CG1-CB 4.09Å; V37-L59 HydrophobicContact CG1-CD2 4.05Å; V37-L59 HydrophobicContact CG2-CB 4.39Å; V37-L59 HydrophobicContact CG2-CD1 4.25Å; H39-L59 WeakPolarHBondContact O-CA 3.39Å; Q40-L59 HydrophobicContact CB-CD2 4.28Å; Q40-L59 HydrophobicContact CG-CD2 3.85Å
60R90.3Very high90.7Very high38 Ų3845.3 Ų45.314%0.14326%0.262CS..EExtended strand (participates in β ladder)trans-90.4121.7167.1-173.2178.4171.5-170.63.2109.3V37 S38 H39 L211 E214V37-R60 CarbonylContact C-O 3.56Å; V37-R60 WeakPolarHBondContact CA-O 3.29Å; S38-R60 PolarHBondContact N-O 2.04Å; S38-R60 WeakPolarHBondContact OG-CG 3.35Å; S38-R60 PolarHBondContact OG-O 2.92Å; S38-R60 VanDerWaalsContact OG-O 3.08Å; H39-R60 HydrophobicContact CB-CB 3.96Å; H39-R60 PolarHBondContact N-O 3.36Å; H39-R60 PolarHBondContact O-N 2.96Å; R60-L211 HydrophobicContact CB-CD1 4.45Å; R60-L211 HydrophobicContact CB-CD2 4.4Å; R60-L211 VanDerWaalsContact CD-O 3.27Å; R60-L211 WeakPolarHBondContact CD-O 2.93Å; R60-L211 VanDerWaalsContact CZ-O 3.25Å; R60-L211 PolarHBondContact NE-O 3.22Å; R60-L211 PolarHBondContact NH1-O 3.45Å; R60-E214 PolarHBondContact NH1-O 3.33Å; R60-E214 PolarHBondContact NH2-O 3.17Å
61L89.5Confident91.1Very high28 Ų2843.5 Ų43.515%0.14725%0.252CS..EExtended strand (participates in β ladder)trans-72.5139.3173.2-59.6-175.5000109.8V18 P36 L65V18-L61 HydrophobicContact CB-CD2 3.9Å; V18-L61 HydrophobicContact CG1-CD2 4.48Å; V18-L61 HydrophobicContact CG2-CD2 3.71Å; P36-L61 CarbonylContact O-C 3.59Å; P36-L61 WeakPolarHBondContact O-CA 3.41Å; L61-L65 HydrophobicContact CD1-CD1 3.42Å; L61-L65 VanDerWaalsContact CD1-CD1 3.42Å; L61-L65 HydrophobicContact CD1-CG 3.63Å
62A84.6Confident91.4Very high27 Ų2749.1 Ų49.122%0.22328%0.278CS..SBendtrans-75.3-36.3177.700000111P36 L229P36-A62 HydrophobicContact CB-CB 4.02Å; P36-A62 WeakPolarHBondContact O-CB 3.33Å; P36-A62 PolarHBondContact O-N 2.86Å; A62-L229 HydrophobicContact CB-CD1 3.87Å; A62-L229 HydrophobicContact CB-CD2 3.58Å; A62-L229 HydrophobicContact CB-CG 3.77Å
63I85.2Confident91.4Very high35 Ų3554 Ų5418%0.17931%0.307CS..SBendtrans-113.3125.9171.7-49.3179.2000108.9S35 L65 L229 F248S35-I63 WeakPolarHBondContact CB-O 3.13Å; S35-I63 PolarHBondContact OG-N 2.84Å; S35-I63 VanDerWaalsContact OG-N 3.1Å; S35-I63 PolarHBondContact OG-O 2.92Å; I63-L65 PolarHBondContact O-N 2.67Å; I63-L229 HydrophobicContact CD1-CD2 3.59Å; I63-L229 HydrophobicContact CG1-CD2 3.33Å; I63-F248 HydrophobicContact CD1-CB 3.71Å; I63-F248 HydrophobicContact CD1-CD1 4.46Å; I63-F248 HydrophobicContact CD1-CG 4.1Å
64P88.5Confident91.4Very high115 Ų11555.1 Ų55.175%0.74731%0.311SS*.PPolyproline II helixtrans-58.2135170.5-22.733.4000111.1
65L91Very high91.2Very high59 Ų5956.2 Ų56.231%0.30932%0.32SS..PPolyproline II helixtrans-78.1144.7176.1-63.8168.6000109.9V20 Q33 L61 I63V20-L65 HydrophobicContact CB-CD1 4.32Å; V20-L65 HydrophobicContact CG1-CD1 3.59Å; V20-L65 HydrophobicContact CG2-CD1 3.79Å; V20-L65 HydrophobicContact CG2-CD2 3.89Å; V20-L65 HydrophobicContact CG2-CG 4.35Å; Q33-L65 HydrophobicContact CB-CD2 3.81Å; L61-L65 HydrophobicContact CD1-CD1 3.42Å; L61-L65 VanDerWaalsContact CD1-CD1 3.42Å; L61-L65 HydrophobicContact CD1-CG 3.63Å; I63-L65 PolarHBondContact O-N 2.67Å
66K91.4Very high90.8Very high161 Ų16159.9 Ų59.970%0.734%0.336SS*.PPolyproline II helixtrans-75.8129.4172.6-64.1-179.3-179178.40109.1Q33 T68Q33-K66 PolarHBondContact NE2-O 3.49Å; Q33-K66 PolarHBondContact OE1-O 2.88Å; K66-T68 HydrophobicContact CB-CG2 4.43Å; K66-T68 PolarHBondContact O-N 2.78Å
67S91.7Very high90.1Very high86 Ų8660.7 Ų60.760%0.60134%0.34SS*.PPolyproline II helixtrans-66.5123.4170.1-173.20000109.1Q72S67-Q72 PolarHBondContact OG-NE2 2.89Å
68T92.9Very high89.1Confident38 Ų3863.8 Ų63.823%0.23336%0.362CS..BIsolated β-bridgetrans-139.7162.4178700000109.1K66 M70 A71 Q72K66-T68 HydrophobicContact CB-CG2 4.43Å; K66-T68 PolarHBondContact O-N 2.78Å; T68-M70 PolarHBondContact O-N 3.43Å; T68-M70 PolarHBondContact OG1-N 2.8Å; T68-A71 PolarHBondContact N-O 2.77Å; T68-A71 CarbonylContact O-C 3.55Å; T68-A71 PolarHBondContact O-N 2.84Å; T68-A71 PolarHBondContact OG1-N 2.62Å; T68-A71 VanDerWaalsContact OG1-N 3.12Å; T68-Q72 VanDerWaalsContact C-NE2 3.34Å; T68-Q72 PolarHBondContact O-NE2 3.43Å
69P91.6Very high88Confident130 Ų13067.7 Ų67.784%0.84438%0.382SS*.THydrogen-bonded Turntrans-53.5-23176.2-28.436.4000115
70M90Very high86.9Confident71 Ų7173.7 Ų73.735%0.3541%0.414SS..THydrogen-bonded Turntrans-99.3-7.9176.1-73.6170.1-78.400114.4Q23 Y31 T68Q23-M70 PolarHBondContact NE2-SD 3.1Å; Q23-M70 VanDerWaalsContact NE2-SD 3.42Å; Y31-M70 HydrophobicContact CD1-CE 3.24Å; Y31-M70 HydrophobicContact CD2-CE 3.36Å; Y31-M70 HydrophobicContact CD2-SD 3.64Å; Y31-M70 HydrophobicContact CE1-CE 3.64Å; Y31-M70 HydrophobicContact CE2-CE 3.76Å; Y31-M70 HydrophobicContact CE2-SD 4.25Å; Y31-M70 HydrophobicContact CG-CE 3.08Å; Y31-M70 HydrophobicContact CG-SD 3.78Å; T68-M70 PolarHBondContact O-N 3.43Å; T68-M70 PolarHBondContact OG1-N 2.8Å
71A91.9Very high85.8Confident17 Ų1773.6 Ų73.614%0.1442%0.418CS..BIsolated β-bridgetrans-132.487.317600000109V20 T68V20-A71 HydrophobicContact CG2-CB 4.29Å; T68-A71 PolarHBondContact N-O 2.77Å; T68-A71 CarbonylContact O-C 3.55Å; T68-A71 PolarHBondContact O-N 2.84Å; T68-A71 PolarHBondContact OG1-N 2.62Å; T68-A71 VanDerWaalsContact OG1-N 3.12Å
72Q91.8Very high84.7Confident118 Ų11875.4 Ų75.455%0.55143%0.43SS*.  trans-112.9147.2173.1-68.5-60.5-5500109.8S67 T68S67-Q72 PolarHBondContact OG-NE2 2.89Å; T68-Q72 VanDerWaalsContact C-NE2 3.34Å; T68-Q72 PolarHBondContact O-NE2 3.43Å
73P92.2Very high83.8Confident113 Ų11377 Ų7773%0.73444%0.443SS*.PPolyproline II helixtrans-64.5151.6169.329.5-33.8000110.4
74I92.2Very high82.8Confident70 Ų7082.6 Ų82.636%0.35947%0.469SS..PPolyproline II helixtrans-89.9146.6171.5-166.165000109.8L165 W173 L175I74-L165 HydrophobicContact CD1-CD2 3.96Å; I74-L165 HydrophobicContact CG1-CD2 4.07Å; I74-W173 HydrophobicContact CD1-CB 3.78Å; I74-W173 WeakPolarHBondContact CD1-O 3.49Å; I74-L175 HydrophobicContact CG1-CB 4.01Å; I74-L175 HydrophobicContact CG2-CB 4Å; I74-L175 HydrophobicContact CG2-CD2 4.28Å
75C90.9Very high81.7Confident50 Ų5081.3 Ų81.334%0.33846%0.456SS..EExtended strand (participates in β ladder)trans-75.8145.4175.9-62.70000111H174 L175C75-H174 WeakPolarHBondContact O-CA 3.11Å; C75-L175 PolarHBondContact O-N 2.94Å
76F86.1Confident80.5Confident78 Ų7878.8 Ų78.834%0.34244%0.442SS..EExtended strand (participates in β ladder)trans-96.2156.3164.3-76.4-91.1000109.4L175 I197 I204F76-L175 HydrophobicContact CE1-CD2 3.89Å; F76-L175 HydrophobicContact CZ-CD2 4.02Å; F76-I197 HydrophobicContact CD1-CG2 3.56Å; F76-I197 HydrophobicContact CE1-CG2 3.51Å; F76-I204 HydrophobicContact CE1-CD1 3.77Å; F76-I204 HydrophobicContact CZ-CD1 4.37Å; F76-I204 HydrophobicContact CZ-CG2 4.47Å
77E81.6Confident79.5Confident18 Ų1874.7 Ų74.78%0.08442%0.423CS..PPolyproline II helixtrans-68.6142.6169.7-164.156.7-122.300110.7T81 I86 H168 H174 T198E77-T81 HydrophobicContact CG-CG2 3.59Å; E77-T81 WeakPolarHBondContact CG-OG1 3.47Å; E77-T81 VanDerWaalsContact OE1-CB 3.3Å; E77-T81 WeakPolarHBondContact OE1-CB 3.43Å; E77-T81 VanDerWaalsContact OE1-CG2 3.26Å; E77-T81 WeakPolarHBondContact OE1-CG2 3.3Å; E77-T81 PolarHBondContact OE1-OG1 3.08Å; E77-I86 HydrophobicContact CG-CD1 4.05Å; E77-I86 HydrophobicContact CG-CG1 3.96Å; E77-H168 IonicContact OE2-CE1 2.97Å; E77-H168 PolarHBondContact OE2-CE1 2.91Å; E77-H168 IonicContact OE2-NE2 3.83Å; E77-H168 PolarHBondContact OE2-NE2 2.98Å; E77-H174 IonicContact OE1-ND1 3.94Å; E77-H174 IonicContact OE2-CE1 3.75Å; E77-H174 IonicContact OE2-CG 3.98Å; E77-H174 IonicContact OE2-ND1 2.84Å; E77-H174 PolarHBondContact OE2-ND1 3.44Å; E77-T198 HydrophobicContact CB-CG2 3.8Å; E77-T198 HydrophobicContact CG-CG2 4.37Å
78S73Confident77.8Confident65 Ų6572.5 Ų72.546%0.45541%0.407SS..PPolyproline II helixtrans-61148.6176.9-177.20000110.9D80 T81S78-D80 PolarHBondContact O-N 3.29Å; S78-D80 PolarHBondContact OG-N 2.89Å; S78-T81 WeakPolarHBondContact CB-OG1 3.5Å; S78-T81 WeakPolarHBondContact O-CB 3.45Å; S78-T81 PolarHBondContact O-N 3.31Å; S78-T81 VanDerWaalsContact O-N 3.09Å; S78-T81 PolarHBondContact O-OG1 2.97Å
79L69.2Low75.8Confident87 Ų8775 Ų7546%0.45543%0.432SS..THydrogen-bonded Turntrans-59.4-24.8173.5-74170.6000112.7T201 K202L79-T201 HydrophobicContact CD2-CG2 3.45Å; L79-T201 VanDerWaalsContact CD2-CG2 3.45Å; L79-T201 HydrophobicContact CG-CG2 4.01Å; L79-K202 HydrophobicContact CD2-CG 3.99Å
80D68.6Low73.5Confident143 Ų14378 Ų7877%0.76543%0.432SS*.THydrogen-bonded Turntrans-84.2-14.1-179.8-59.1-34.9000112.9S78 T82S78-D80 PolarHBondContact O-N 3.29Å; S78-D80 PolarHBondContact OG-N 2.89Å; D80-T82 PolarHBondContact O-N 3.21Å
81T68.6Low71.5Confident36 Ų3678.6 Ų78.622%0.22143%0.434CS..  trans-73.1125-178.2-51.60000109.9E77 S78 D85 I86E77-T81 HydrophobicContact CG-CG2 3.59Å; E77-T81 WeakPolarHBondContact CG-OG1 3.47Å; E77-T81 VanDerWaalsContact OE1-CB 3.3Å; E77-T81 WeakPolarHBondContact OE1-CB 3.43Å; E77-T81 VanDerWaalsContact OE1-CG2 3.26Å; E77-T81 WeakPolarHBondContact OE1-CG2 3.3Å; E77-T81 PolarHBondContact OE1-OG1 3.08Å; S78-T81 WeakPolarHBondContact CB-OG1 3.5Å; S78-T81 WeakPolarHBondContact O-CB 3.45Å; S78-T81 PolarHBondContact O-N 3.31Å; S78-T81 VanDerWaalsContact O-N 3.09Å; S78-T81 PolarHBondContact O-OG1 2.97Å; T81-D85 HydrophobicContact CG2-CB 3.58Å; T81-I86 HydrophobicContact CG2-CD1 4.36Å; T81-I86 HydrophobicContact CG2-CG1 3.88Å
82T65.6Low69.1Low66 Ų6687.7 Ų87.741%0.40547%0.47SS..  trans-77.1157.7-178.571.60000111.2D80 E84 D85 I86D80-T82 PolarHBondContact O-N 3.21Å; T82-E84 PolarHBondContact O-N 3.5Å; T82-E84 PolarHBondContact OG1-N 3.13Å; T82-D85 WeakPolarHBondContact CB-OD2 3.37Å; T82-D85 PolarHBondContact N-OD2 3.3Å; T82-D85 PolarHBondContact O-N 3.18Å; T82-D85 PolarHBondContact OG1-N 2.63Å; T82-D85 VanDerWaalsContact OG1-N 3.14Å; T82-D85 PolarHBondContact OG1-OD2 3.03Å; T82-I86 PolarHBondContact O-N 3.03Å
83A65.4Low66.8Low60 Ų6088 Ų8850%0.49648%0.48SS..Hα-helixtrans-54.9-34.9169.200000111.1D85 I86 W87A83-D85 PolarHBondContact O-N 3.46Å; A83-I86 PolarHBondContact O-N 2.99Å; A83-W87 WeakPolarHBondContact O-CB 3.38Å; A83-W87 PolarHBondContact O-N 2.97Å
84E64.3Low65.3Low154 Ų15484 Ų8472%0.7245%0.454SS*.Hα-helixtrans-64.4-39.2175.9-66.1-173.4171.900111.8T82 I86 W87 S88T82-E84 PolarHBondContact O-N 3.5Å; T82-E84 PolarHBondContact OG1-N 3.13Å; E84-I86 VanDerWaalsContact C-N 3.31Å; E84-I86 PolarHBondContact O-N 2.99Å; E84-W87 PolarHBondContact O-N 2.82Å; E84-S88 VanDerWaalsContact O-CA 3.25Å; E84-S88 WeakPolarHBondContact O-CA 3.44Å; E84-S88 WeakPolarHBondContact O-CB 3.27Å; E84-S88 PolarHBondContact O-N 3Å; E84-S88 PolarHBondContact O-OG 3.25Å
85D65.2Low64.7Low88 Ų8882.8 Ų82.847%0.47145%0.451SS..Hα-helixtrans-66.9-35.2177.6-56.5-45.9000112T81 T82 A83 K166T81-D85 HydrophobicContact CG2-CB 3.58Å; T82-D85 WeakPolarHBondContact CB-OD2 3.37Å; T82-D85 PolarHBondContact N-OD2 3.3Å; T82-D85 PolarHBondContact O-N 3.18Å; T82-D85 PolarHBondContact OG1-N 2.63Å; T82-D85 VanDerWaalsContact OG1-N 3.14Å; T82-D85 PolarHBondContact OG1-OD2 3.03Å; A83-D85 PolarHBondContact O-N 3.46Å; D85-K166 PolarHBondContact O-NZ 3.03Å
86I67.4Low64.6Low5 Ų580.9 Ų80.93%0.02644%0.438CS..Hα-helixtrans-73.5-42.4178.3-60.3154000111.1E77 T81 T82 A83 E84 K166 I176 T198E77-I86 HydrophobicContact CG-CD1 4.05Å; E77-I86 HydrophobicContact CG-CG1 3.96Å; T81-I86 HydrophobicContact CG2-CD1 4.36Å; T81-I86 HydrophobicContact CG2-CG1 3.88Å; T82-I86 PolarHBondContact O-N 3.03Å; A83-I86 PolarHBondContact O-N 2.99Å; E84-I86 VanDerWaalsContact C-N 3.31Å; E84-I86 PolarHBondContact O-N 2.99Å; I86-K166 PolarHBondContact O-NZ 3.36Å; I86-I176 HydrophobicContact CG2-CB 4.47Å; I86-I176 HydrophobicContact CG2-CG2 4.16Å; I86-T198 HydrophobicContact CD1-CG2 3.5Å; I86-T198 HydrophobicContact CG1-CG2 4.49Å
87W69.3Low64.8Low76 Ų7679.3 Ų79.329%0.28843%0.431SS..Hα-helixtrans-105.5-4.3-169.6-51.4116.3000114A83 E84 A89 I121 F145 I176A83-W87 WeakPolarHBondContact O-CB 3.38Å; A83-W87 PolarHBondContact O-N 2.97Å; E84-W87 PolarHBondContact O-N 2.82Å; W87-A89 PolarHBondContact O-N 3.26Å; W87-I121 HydrophobicContact CE3-CD1 3.72Å; W87-I121 HydrophobicContact CE3-CG1 4.32Å; W87-I121 HydrophobicContact CE3-CG2 3.95Å; W87-I121 HydrophobicContact CZ3-CD1 3.42Å; W87-I121 VanDerWaalsContact CZ3-CD1 3.42Å; W87-I121 HydrophobicContact CZ3-CG1 3.86Å; W87-I121 HydrophobicContact CZ3-CG2 3.99Å; W87-F145 HydrophobicContact CH2-CB 4.26Å; W87-F145 AromaticContact CH2-CD1 3.5Å; W87-F145 HydrophobicContact CH2-CD1 3.5Å; W87-F145 AromaticContact CH2-CD2 3.87Å; W87-F145 HydrophobicContact CH2-CD2 3.87Å; W87-F145 AromaticContact CH2-CE1 3.63Å; W87-F145 HydrophobicContact CH2-CE1 3.63Å; W87-F145 HydrophobicContact CH2-CE2 4Å; W87-F145 AromaticContact CH2-CG 3.61Å; W87-F145 HydrophobicContact CH2-CG 3.61Å; W87-F145 AromaticContact CH2-CZ 3.88Å; W87-F145 HydrophobicContact CH2-CZ 3.88Å; W87-F145 HydrophobicContact CZ2-CD1 4.03Å; W87-F145 HydrophobicContact CZ2-CE1 4.38Å; W87-F145 HydrophobicContact CZ2-CG 4.31Å; W87-F145 HydrophobicContact CZ3-CD1 4.43Å; W87-F145 HydrophobicContact CZ3-CD2 4.01Å; W87-F145 HydrophobicContact CZ3-CE2 4.17Å; W87-F145 HydrophobicContact CZ3-CG 4.14Å; W87-F145 HydrophobicContact CZ3-CZ 4.43Å; W87-I176 HydrophobicContact CH2-CD1 4.25Å; W87-I176 HydrophobicContact CZ3-CD1 4.11Å
88S56.7Low65.2Low40 Ų4078.4 Ų78.428%0.2843%0.427SS..  trans-68117.9-179.157.20000110.6E84 K90E84-S88 VanDerWaalsContact O-CA 3.25Å; E84-S88 WeakPolarHBondContact O-CA 3.44Å; E84-S88 WeakPolarHBondContact O-CB 3.27Å; E84-S88 PolarHBondContact O-N 3Å; E84-S88 PolarHBondContact O-OG 3.25Å; S88-K90 PolarHBondContact O-N 3.04Å
89A49.8Very low66Low90 Ų9078.3 Ų78.374%0.74442%0.421SS*.THydrogen-bonded Turntrans-67.88.6168.600000113.3W87 E91W87-A89 PolarHBondContact O-N 3.26Å; A89-E91 PolarHBondContact O-N 3.24Å
90K43.6Very low66.6Low194 Ų19474.7 Ų74.784%0.84340%0.404SS*.THydrogen-bonded Turntrans-65.1-30179-85-175.2176.6174.70111.2S88 K92S88-K90 PolarHBondContact O-N 3.04Å; K90-K92 PolarHBondContact O-N 3.47Å
91E47.6Very low67.1Low83 Ų8369.9 Ų69.939%0.38838%0.378SS..SBendtrans-85.694.9166.4-66.8-172.5160.800109.1A89 T93 T94A89-E91 PolarHBondContact O-N 3.24Å; E91-T93 PolarHBondContact O-N 3.37Å; E91-T94 HydrophobicContact CB-CG2 4.23Å; E91-T94 WeakPolarHBondContact CB-OG1 3.43Å; E91-T94 PolarHBondContact O-N 3.28Å; E91-T94 PolarHBondContact O-OG1 3.01Å; E91-T94 WeakPolarHBondContact OE2-CG2 3.33Å
92K41.3Very low67.2Low208 Ų20868.2 Ų68.290%0.90437%0.368SS*.THydrogen-bonded Turntrans-54.5-4.8173.9-80.2-178.6175.4177.80114.6K90K90-K92 PolarHBondContact O-N 3.47Å
93T44.1Very low67.4Low123 Ų12370.9 Ų70.976%0.75537%0.371SS*.THydrogen-bonded Turntrans-119.3-0.7-16941.30000114.8E91 S95E91-T93 PolarHBondContact O-N 3.37Å; T93-S95 PolarHBondContact O-N 2.92Å
94T60.6Low67.4Low31 Ų3170.4 Ų70.419%0.1936%0.36CS..  trans-92.379.2179.938.80000112.3E91 K166 K167E91-T94 HydrophobicContact CB-CG2 4.23Å; E91-T94 WeakPolarHBondContact CB-OG1 3.43Å; E91-T94 PolarHBondContact O-N 3.28Å; E91-T94 PolarHBondContact O-OG1 3.01Å; E91-T94 WeakPolarHBondContact OE2-CG2 3.33Å; T94-K166 VanDerWaalsContact CB-CE 3.48Å; T94-K167 VanDerWaalsContact CG2-O 3.27Å; T94-K167 WeakPolarHBondContact CG2-O 3.33Å
95S79.4Confident67.6Low44 Ų4465 Ų6531%0.30833%0.333SS..  trans-61132.9168.4-68.30000110.8T93 F97 E118T93-S95 PolarHBondContact O-N 2.92Å; S95-F97 WeakPolarHBondContact O-CD2 3.34Å; S95-F97 VanDerWaalsContact O-CE2 3.3Å; S95-F97 WeakPolarHBondContact O-CE2 3.36Å; S95-E118 WeakPolarHBondContact CB-OE1 3.4Å; S95-E118 PolarHBondContact OG-OE1 3.04Å
96T88.8Confident67.4Low10 Ų1071.9 Ų71.96%0.06135%0.352CS..EExtended strand (participates in β ladder)trans-101139.5173.650.10000110.6E118 I119 I121 K166 I176T96-E118 WeakPolarHBondContact O-CA 3.44Å; T96-I119 WeakPolarHBondContact O-CG1 3.2Å; T96-I119 PolarHBondContact O-N 3.41Å; T96-I119 PolarHBondContact OG1-O 2.83Å; T96-I121 HydrophobicContact CG2-CD1 3.65Å; T96-K166 HydrophobicContact CG2-CB 4.33Å; T96-K166 HydrophobicContact CG2-CG 4.19Å; T96-I176 HydrophobicContact CG2-CD1 3.94Å
97F90.8Very high67.2Low44 Ų4477.8 Ų77.819%0.19338%0.378CS..EExtended strand (participates in β ladder)trans-129.5149.5-174-59.7-90.7000111.3S95 L116 A117 E118 V164 L165 W173S95-F97 WeakPolarHBondContact O-CD2 3.34Å; S95-F97 VanDerWaalsContact O-CE2 3.3Å; S95-F97 WeakPolarHBondContact O-CE2 3.36Å; F97-L116 HydrophobicContact CB-CD2 4.05Å; F97-L116 HydrophobicContact CD1-CB 4.45Å; F97-A117 CarbonylContact C-O 3.48Å; F97-A117 VanDerWaalsContact CA-O 3.26Å; F97-A117 WeakPolarHBondContact CA-O 3.18Å; F97-E118 HydrophobicContact CD1-CB 3.96Å; F97-E118 HydrophobicContact CD1-CG 4.46Å; F97-E118 HydrophobicContact CE1-CB 3.77Å; F97-E118 HydrophobicContact CE1-CG 4.1Å; F97-V164 CarbonylContact O-C 3.51Å; F97-V164 WeakPolarHBondContact O-CA 2.98Å; F97-L165 PolarHBondContact N-O 3.48Å; F97-L165 PolarHBondContact O-N 3.43Å; F97-W173 AromaticContact CD2-CH2 3.88Å; F97-W173 HydrophobicContact CD2-CH2 3.88Å; F97-W173 AromaticContact CD2-CZ3 3.78Å; F97-W173 HydrophobicContact CD2-CZ3 3.78Å; F97-W173 HydrophobicContact CE2-CH2 4.12Å; F97-W173 HydrophobicContact CE2-CZ3 4.36Å
98T90.6Very high67.1Low0 Ų086 Ų860%041%0.409CS..EExtended strand (participates in β ladder)trans-109152.5160.2-169.20000110A117 I119 Q157 P163T98-A117 HydrophobicContact CG2-CB 3.98Å; T98-A117 PolarHBondContact N-O 3.25Å; T98-A117 PolarHBondContact O-N 3.4Å; T98-I119 HydrophobicContact CG2-CG2 3.98Å; T98-Q157 HydrophobicContact CG2-CB 4.2Å; T98-P163 WeakPolarHBondContact CA-O 3.48Å; T98-P163 PolarHBondContact OG1-O 3.34Å
99L88.7Confident67.8Low62 Ų6288.6 Ų88.633%0.32542%0.418SS..EExtended strand (participates in β ladder)trans-125.1140.2-177.9-17980.7000109.7D115 L116 S162 P163 L165L99-D115 WeakPolarHBondContact CD1-O 3.33Å; L99-L116 HydrophobicContact CB-CD2 4.09Å; L99-L116 HydrophobicContact CD1-CD2 3.66Å; L99-L116 HydrophobicContact CD1-CG 3.94Å; L99-L116 HydrophobicContact CG-CD2 4.47Å; L99-S162 WeakPolarHBondContact O-CB 3.44Å; L99-S162 PolarHBondContact O-OG 3.44Å; L99-P163 HydrophobicContact CB-CG 4.17Å; L99-P163 PolarHBondContact N-O 3.04Å; L99-L165 HydrophobicContact CB-CD1 4.49Å
100G82.7Confident69Low11 Ų1186.7 Ų86.711%0.11340%0.402CS..EExtended strand (participates in β ladder)trans-175167.5167.600000114.6G102 D115G100-G102 PolarHBondContact O-N 3.36Å; G100-D115 PolarHBondContact N-O 3.45Å; G100-D115 PolarHBondContact O-N 3.06Å
101M78Confident70.8Confident42 Ų4277.9 Ų77.921%0.20737%0.366CS..  trans-7737.7172.4-70.2-112.763.400112.2V22 N25 D112 P114V22-M101 HydrophobicContact CG1-SD 3.65Å; N25-M101 HydrophobicContact CB-CE 3.82Å; N25-M101 HydrophobicContact CB-SD 3.69Å; M101-D112 VanDerWaalsContact CE-O 3.3Å; M101-D112 WeakPolarHBondContact CE-O 3.29Å; M101-P114 HydrophobicContact CE-CB 4.49Å; M101-P114 VanDerWaalsContact CE-N 3.3Å
102G70.7Confident72.5Confident2 Ų275.8 Ų75.82%0.02136%0.358CS..PPolyproline II helixtrans-51.5167.3-16000000116.4G100 A111 C156G100-G102 PolarHBondContact O-N 3.36Å; G102-A111 WeakPolarHBondContact O-CB 3.18Å; G102-A111 PolarHBondContact O-N 2.96Å; G102-C156 WeakPolarHBondContact CA-O 3.34Å
103R70.7Confident74.6Confident122 Ų12270.9 Ų70.946%0.4633%0.334SS..EExtended strand (participates in β ladder)trans-95151.7174.1-65.2179.2169.6104.8-7.7110.7R105 I109 C156 E159R103-R105 PolarHBondContact O-N 3.27Å; R103-I109 WeakPolarHBondContact CA-O 3.49Å; R103-C156 PolarHBondContact N-O 2.01Å; R103-C156 WeakPolarHBondContact O-CB 3.41Å; R103-C156 PolarHBondContact O-N 2.86Å; R103-E159 IonicContact CZ-OE1 3.95Å; R103-E159 IonicContact NH1-OE1 3.58Å; R103-E159 PolarHBondContact NH1-OE1 3.08Å
104L65.8Low76.6Confident50 Ų5067.6 Ų67.626%0.26232%0.315SS..EExtended strand (participates in β ladder)trans-60.3128.5167-70.9175.9000109R106 K107 I109 Y154 R155L104-R106 PolarHBondContact O-N 2.95Å; L104-K107 HydrophobicContact CB-CB 4.06Å; L104-K107 PolarHBondContact O-N 2.98Å; L104-I109 HydrophobicContact CD1-CB 4.19Å; L104-I109 HydrophobicContact CD1-CD1 4.46Å; L104-I109 HydrophobicContact CD1-CG2 4.22Å; L104-I109 PolarHBondContact N-O 2.8Å; L104-Y154 HydrophobicContact CD2-CD2 3.63Å; L104-Y154 HydrophobicContact CD2-CE2 3.64Å; L104-R155 HydrophobicContact CD2-CG 4.28Å
105R67.1Low77.8Confident39 Ų3968.7 Ų68.715%0.14732%0.32CS..THydrogen-bonded Turntrans-55.9136.3-179.7-81179.3163.7138.4-0.3110.3R103 K107 T153 Y154 C156 S184R103-R105 PolarHBondContact O-N 3.27Å; R105-K107 PolarHBondContact O-N 2.83Å; R105-K107 VanDerWaalsContact O-N 3.09Å; R105-T153 PolarHBondContact NH1-O 3.02Å; R105-Y154 VanDerWaalsContact CB-O 3.24Å; R105-Y154 WeakPolarHBondContact CB-O 3.11Å; R105-Y154 WeakPolarHBondContact CG-O 3.03Å; R105-Y154 PolarHBondContact N-O 2.97Å; R105-C156 HydrophobicContact CG-CB 4.13Å; R105-S184 VanDerWaalsContact CZ-O 3.23Å; R105-S184 PolarHBondContact NE-O 3.42Å; R105-S184 PolarHBondContact NH2-O 3.28Å
106R63Low78.2Confident234 Ų23470.3 Ų70.388%0.88332%0.324SS*.THydrogen-bonded Turntrans63.23.9-179-50.9-178.8-179.5123.90.8115.6L104L104-R106 PolarHBondContact O-N 2.95Å
107K62.7Low78.1Confident129 Ų12969.9 Ų69.956%0.56132%0.322SS*.SBendtrans-118.7143.3171.9-63.9-170.8178.9-176.10108.6L104 R105 I109L104-K107 HydrophobicContact CB-CB 4.06Å; L104-K107 PolarHBondContact O-N 2.98Å; R105-K107 PolarHBondContact O-N 2.83Å; R105-K107 VanDerWaalsContact O-N 3.09Å; K107-I109 HydrophobicContact CB-CB 4.42Å; K107-I109 HydrophobicContact CB-CD1 4.24Å; K107-I109 HydrophobicContact CB-CG1 4.15Å; K107-I109 HydrophobicContact CD-CD1 4Å; K107-I109 PolarHBondContact O-N 2.84Å; K107-I109 VanDerWaalsContact O-N 3.09Å
108R66.7Low78Confident248 Ų24871.3 Ų71.394%0.93633%0.329SS*.  trans-79.621.8174.3-69.1-173.8172.9-175.9-1.6112.8
109I71.7Confident77.9Confident94 Ų9471.4 Ų71.448%0.48233%0.33SS..  trans-90.8115.2-176.5-57.2173.2000107.7R103 L104 K107R103-I109 WeakPolarHBondContact CA-O 3.49Å; L104-I109 HydrophobicContact CD1-CB 4.19Å; L104-I109 HydrophobicContact CD1-CD1 4.46Å; L104-I109 HydrophobicContact CD1-CG2 4.22Å; L104-I109 PolarHBondContact N-O 2.8Å; K107-I109 HydrophobicContact CB-CB 4.42Å; K107-I109 HydrophobicContact CB-CD1 4.24Å; K107-I109 HydrophobicContact CB-CG1 4.15Å; K107-I109 HydrophobicContact CD-CD1 4Å; K107-I109 PolarHBondContact O-N 2.84Å; K107-I109 VanDerWaalsContact O-N 3.09Å
110A75.5Confident78Confident50 Ų5071.9 Ų71.941%0.41334%0.335SS..BIsolated β-bridgetrans-67.2138.6171.300000110
111A80.4Confident78.3Confident9 Ų974 Ų747%0.07434%0.343CS..  trans-67.1143.5169.100000109.6G102 Y113G102-A111 WeakPolarHBondContact O-CB 3.18Å; G102-A111 PolarHBondContact O-N 2.96Å; A111-Y113 VanDerWaalsContact C-N 3.35Å
112D83.3Confident78.9Confident40 Ų4073.3 Ų73.321%0.21434%0.342CS..SBendtrans-78.2-24.9173.2-163.833.5000111.5R24 N25 S26 M101R24-D112 CarbonylContact C-O 3.49Å; R24-D112 WeakPolarHBondContact CA-O 3.46Å; R24-D112 IonicContact CZ-OD2 3.35Å; R24-D112 IonicContact NE-OD2 3.8Å; R24-D112 IonicContact NH1-OD2 3.21Å; R24-D112 PolarHBondContact NH1-OD2 3.48Å; N25-D112 PolarHBondContact N-O 1.98Å; N25-D112 PolarHBondContact N-OD1 3.13Å; S26-D112 WeakPolarHBondContact CB-OD1 3.23Å; S26-D112 PolarHBondContact N-OD1 3.2Å; S26-D112 VanDerWaalsContact OG-CG 3.26Å; S26-D112 PolarHBondContact OG-OD1 3.19Å; S26-D112 PolarHBondContact OG-OD2 3.33Å; M101-D112 VanDerWaalsContact CE-O 3.3Å; M101-D112 WeakPolarHBondContact CE-O 3.29Å
113Y86.1Confident79.7Confident105 Ų10578 Ų7841%0.41237%0.366SS..SBendtrans-122.2144.9-175.6-60.6-90.9000112.2Q23 R24 A111 R155Q23-Y113 WeakPolarHBondContact O-CD1 3.3Å; R24-Y113 HydrophobicContact CG-CD1 3.91Å; R24-Y113 HydrophobicContact CG-CE1 3.5Å; R24-Y113 VanDerWaalsContact CG-CE1 3.5Å; R24-Y113 PolarHBondContact NE-OH 2.84Å; R24-Y113 VanDerWaalsContact NE-OH 3.12Å; R24-Y113 PolarHBondContact NH1-OH 3.46Å; R24-Y113 PolarHBondContact NH2-OH 3.22Å; A111-Y113 VanDerWaalsContact C-N 3.35Å; Y113-R155 PolarHBondContact O-NH1 3.12Å
114P85.6Confident80.6Confident54 Ų5474.2 Ų74.235%0.35136%0.358SS..  trans-65.8147.9170.630.3-33.7000108.8Q23 M101Q23-P114 WeakPolarHBondContact O-CD 3.32Å; M101-P114 HydrophobicContact CE-CB 4.49Å; M101-P114 VanDerWaalsContact CE-N 3.3Å
115D85.5Confident81.8Confident54 Ų5475 Ų7529%0.28937%0.367SS..EExtended strand (participates in β ladder)trans-143158.2-177.7-170.413000108.3L99 G100 R155 Q157L99-D115 WeakPolarHBondContact CD1-O 3.33Å; G100-D115 PolarHBondContact N-O 3.45Å; G100-D115 PolarHBondContact O-N 3.06Å; D115-R155 WeakPolarHBondContact OD2-CD 3.23Å; D115-R155 IonicContact OD2-CZ 2.7Å; D115-R155 IonicContact OD2-NE 2.73Å; D115-R155 IonicContact OD2-NH1 2.64Å; D115-Q157 PolarHBondContact O-OE1 3.16Å; D115-Q157 PolarHBondContact OD2-NE2 2.85Å
116L87.3Confident83Confident77 Ų7775.5 Ų75.540%0.40338%0.377SS..EExtended strand (participates in β ladder)trans-104.7140.3178.5-75.8164.2000109.1F97 L99 Q157F97-L116 HydrophobicContact CB-CD2 4.05Å; F97-L116 HydrophobicContact CD1-CB 4.45Å; L99-L116 HydrophobicContact CB-CD2 4.09Å; L99-L116 HydrophobicContact CD1-CD2 3.66Å; L99-L116 HydrophobicContact CD1-CG 3.94Å; L99-L116 HydrophobicContact CG-CD2 4.47Å; L116-Q157 VanDerWaalsContact CA-OE1 3.3Å; L116-Q157 PolarHBondContact O-NE2 2.95Å
117A87.1Confident84.5Confident1 Ų164.4 Ų64.41%0.00834%0.335CS..EExtended strand (participates in β ladder)trans-126.4122.6174.500000109.1F97 T98 Q149 T153 Q157F97-A117 CarbonylContact C-O 3.48Å; F97-A117 VanDerWaalsContact CA-O 3.26Å; F97-A117 WeakPolarHBondContact CA-O 3.18Å; T98-A117 HydrophobicContact CG2-CB 3.98Å; T98-A117 PolarHBondContact N-O 3.25Å; T98-A117 PolarHBondContact O-N 3.4Å; A117-Q149 HydrophobicContact CB-CG 4.13Å; A117-T153 HydrophobicContact CB-CG2 4.06Å; A117-Q157 HydrophobicContact CB-CB 3.71Å; A117-Q157 HydrophobicContact CB-CG 4.08Å; A117-Q157 VanDerWaalsContact CB-OE1 3.31Å
118E88.4Confident86Confident74 Ų7463 Ų6335%0.34633%0.327SS..EExtended strand (participates in β ladder)trans-68.1135.7172.3-169.5169.7-163.100109.8S95 T96 F97 Q150S95-E118 WeakPolarHBondContact CB-OE1 3.4Å; S95-E118 PolarHBondContact OG-OE1 3.04Å; T96-E118 WeakPolarHBondContact O-CA 3.44Å; F97-E118 HydrophobicContact CD1-CB 3.96Å; F97-E118 HydrophobicContact CD1-CG 4.46Å; F97-E118 HydrophobicContact CE1-CB 3.77Å; F97-E118 HydrophobicContact CE1-CG 4.1Å; E118-Q150 HydrophobicContact CB-CG 4.06Å; E118-Q150 HydrophobicContact CG-CG 4.34Å; E118-Q150 PolarHBondContact O-N 3.39Å
119I89.9Confident87.4Confident3 Ų358 Ų582%0.01531%0.314CS..EExtended strand (participates in β ladder)trans-125.4147.717866.2175.7000109.9T96 T98 A147 F148 V164 Y194T96-I119 WeakPolarHBondContact O-CG1 3.2Å; T96-I119 PolarHBondContact O-N 3.41Å; T96-I119 PolarHBondContact OG1-O 2.83Å; T98-I119 HydrophobicContact CG2-CG2 3.98Å; I119-A147 HydrophobicContact CB-CB 4Å; I119-A147 HydrophobicContact CD1-CB 3.87Å; I119-A147 HydrophobicContact CG1-CB 4.14Å; I119-F148 CarbonylContact C-O 3.45Å; I119-F148 WeakPolarHBondContact CA-O 3.19Å; I119-F148 WeakPolarHBondContact CB-O 2.92Å; I119-V164 HydrophobicContact CD1-CG1 3.62Å; I119-V164 HydrophobicContact CD1-CG2 4.29Å; I119-Y194 HydrophobicContact CD1-CE1 4.5Å; I119-Y194 HydrophobicContact CD1-CE2 4.41Å
120T89.9Confident88.5Confident71 Ų7155.7 Ų55.744%0.43630%0.301SS..EExtended strand (participates in β ladder)trans-111.6113.8175-52.20000109.2A147 F148 Q150T120-A147 CarbonylContact O-C 3.45Å; T120-A147 WeakPolarHBondContact O-CA 3.33Å; T120-A147 WeakPolarHBondContact O-CB 3.41Å; T120-F148 PolarHBondContact N-O 3.44Å; T120-F148 PolarHBondContact O-N 3.5Å; T120-Q150 PolarHBondContact OG1-NE2 3.06Å; T120-Q150 VanDerWaalsContact OG1-NE2 3.08Å
121I89.8Confident89.5Confident56 Ų5662.3 Ų62.329%0.28732%0.315SS..EExtended strand (participates in β ladder)trans-66139.7176.5-65.1139.9000109.7W87 T96 F145 C146 A147 I176W87-I121 HydrophobicContact CE3-CD1 3.72Å; W87-I121 HydrophobicContact CE3-CG1 4.32Å; W87-I121 HydrophobicContact CE3-CG2 3.95Å; W87-I121 HydrophobicContact CZ3-CD1 3.42Å; W87-I121 VanDerWaalsContact CZ3-CD1 3.42Å; W87-I121 HydrophobicContact CZ3-CG1 3.86Å; W87-I121 HydrophobicContact CZ3-CG2 3.99Å; T96-I121 HydrophobicContact CG2-CD1 3.65Å; I121-F145 HydrophobicContact CG1-CD2 4.17Å; I121-F145 HydrophobicContact CG1-CE2 4.2Å; I121-F145 HydrophobicContact CG2-CD2 4.38Å; I121-C146 WeakPolarHBondContact CA-O 3.37Å; I121-A147 HydrophobicContact CG1-CB 4.2Å; I121-I176 HydrophobicContact CD1-CD1 4.49Å
122T89.9Confident90.2Very high28 Ų2862.9 Ų62.917%0.17232%0.317CS..EExtended strand (participates in β ladder)trans-118.5155.7177.7-161.90000110.6C127 C146 F148T122-C127 HydrophobicContact CG2-CB 4.05Å; T122-C146 HydrophobicContact CG2-CB 3.64Å; T122-C146 PolarHBondContact N-O 2.95Å; T122-F148 HydrophobicContact CG2-CD2 4.33Å; T122-F148 HydrophobicContact CG2-CE2 3.78Å
123N88.4Confident90.7Very high101 Ų10161 Ų6154%0.5431%0.307SS..  trans-66.5146.9177.969.462.8000111.4S125 S126 C127N123-S125 PolarHBondContact O-N 3.29Å; N123-S125 PolarHBondContact OD1-N 3.09Å; N123-S126 PolarHBondContact O-N 2.95Å; N123-S126 WeakPolarHBondContact OD1-CB 3.47Å; N123-S126 PolarHBondContact OD1-N 3.37Å; N123-C127 PolarHBondContact O-N 3.41Å; N123-C127 VanDerWaalsContact O-N 3.08Å
124S88.6Confident91.2Very high41 Ų4164.4 Ų64.429%0.28732%0.319SS..Hα-helixtrans-61.1-33.2-175.3-48.70000112.5C127 R128S124-C127 PolarHBondContact O-N 2.7Å; S124-R128 VanDerWaalsContact O-CG 3.25Å; S124-R128 WeakPolarHBondContact O-CG 3.47Å; S124-R128 PolarHBondContact O-N 3.41Å
125S91.2Very high91.6Very high66 Ų6667.5 Ų67.546%0.46233%0.332SS..Hα-helixtrans-63.5-47.6178.6-60.60000112.6N123 C127 R128 Q129N123-S125 PolarHBondContact O-N 3.29Å; N123-S125 PolarHBondContact OD1-N 3.09Å; S125-C127 VanDerWaalsContact C-N 3.34Å; S125-R128 PolarHBondContact O-N 2.6Å; S125-Q129 WeakPolarHBondContact O-CG 3.04Å; S125-Q129 PolarHBondContact O-N 2.96Å; S125-Q129 VanDerWaalsContact O-N 3.13Å
126S92.9Very high92Very high50 Ų5067.6 Ų67.635%0.3533%0.331SS..Hα-helixtrans-62.1-43.4175.4-179.30000110.5N123 R128 Q129 H130N123-S126 PolarHBondContact O-N 2.95Å; N123-S126 WeakPolarHBondContact OD1-CB 3.47Å; N123-S126 PolarHBondContact OD1-N 3.37Å; S126-R128 PolarHBondContact O-N 3.35Å; S126-Q129 PolarHBondContact O-N 2.64Å; S126-H130 PolarHBondContact O-N 2.73Å; S126-H130 VanDerWaalsContact O-N 3.11Å
127C94.2Very high92.3Very high1 Ų174.1 Ų74.11%0.00735%0.35CS..Hα-helixtrans-61.2-46.5176.7-170.40000112.6T122 N123 S124 S125 Q129 H130 V133 C146T122-C127 HydrophobicContact CG2-CB 4.05Å; N123-C127 PolarHBondContact O-N 3.41Å; N123-C127 VanDerWaalsContact O-N 3.08Å; S124-C127 PolarHBondContact O-N 2.7Å; S125-C127 VanDerWaalsContact C-N 3.34Å; C127-Q129 PolarHBondContact O-N 2.81Å; C127-H130 VanDerWaalsContact O-CB 3.29Å; C127-H130 WeakPolarHBondContact O-CB 3.19Å; C127-H130 PolarHBondContact O-N 2.98Å; C127-H130 VanDerWaalsContact O-N 3.08Å; C127-V133 WeakPolarHBondContact O-CB 3.46Å; C127-V133 WeakPolarHBondContact O-CG2 3.22Å; C127-C146 HydrophobicContact CB-CB 3.46Å; C127-C146 VanDerWaalsContact CB-CB 3.46Å; C127-C146 WeakPolarHBondContact CB-SG 3.45Å; C127-C146 WeakPolarHBondContact SG-CB 3.23Å; C127-C146 CovalentContact SG-SG 2.01Å; C127-C146 PolarHBondContact SG-SG 3.37Å
128R94.3Very high92.6Very high100 Ų10074.8 Ų74.838%0.37735%0.353SS..Hα-helixtrans-59.5-33.7177.1-72.5173.3-162.8140.61.6112.6S124 S125 S126 H130 R134 I140S124-R128 VanDerWaalsContact O-CG 3.25Å; S124-R128 WeakPolarHBondContact O-CG 3.47Å; S124-R128 PolarHBondContact O-N 3.41Å; S125-R128 PolarHBondContact O-N 2.6Å; S126-R128 PolarHBondContact O-N 3.35Å; R128-H130 VanDerWaalsContact C-N 3.33Å; R128-R134 WeakPolarHBondContact O-CG 3.23Å; R128-I140 HydrophobicContact CG-CB 3.81Å; R128-I140 HydrophobicContact CG-CG1 4.02Å; R128-I140 PolarHBondContact NE-O 2.82Å; R128-I140 PolarHBondContact NH2-O 2.75Å
129Q95Very high92.7Very high142 Ų14277 Ų7766%0.66437%0.368SS*.Hα-helixtrans-78.8-19.1179.7-70.4176.28.700112.7S125 S126 C127 R131 R134S125-Q129 WeakPolarHBondContact O-CG 3.04Å; S125-Q129 PolarHBondContact O-N 2.96Å; S125-Q129 VanDerWaalsContact O-N 3.13Å; S126-Q129 PolarHBondContact O-N 2.64Å; C127-Q129 PolarHBondContact O-N 2.81Å; Q129-R131 PolarHBondContact O-N 3.21Å; Q129-R134 WeakPolarHBondContact O-CD 3.23Å
130H96Very high92.8Very high46 Ų4676.9 Ų76.921%0.21337%0.367CS..SBendtrans-61.3133.8-177.6-167.6-79000111.6S126 C127 R128 I132 V133 R134 K189 Y190 P191S126-H130 PolarHBondContact O-N 2.73Å; S126-H130 VanDerWaalsContact O-N 3.11Å; C127-H130 VanDerWaalsContact O-CB 3.29Å; C127-H130 WeakPolarHBondContact O-CB 3.19Å; C127-H130 PolarHBondContact O-N 2.98Å; C127-H130 VanDerWaalsContact O-N 3.08Å; R128-H130 VanDerWaalsContact C-N 3.33Å; H130-I132 VanDerWaalsContact C-N 3.31Å; H130-I132 WeakPolarHBondContact ND1-CG2 3.11Å; H130-I132 PolarHBondContact ND1-N 3.27Å; H130-I132 PolarHBondContact O-N 2.74Å; H130-I132 VanDerWaalsContact O-N 3.16Å; H130-V133 HydrophobicContact CB-CG2 4.32Å; H130-V133 PolarHBondContact O-N 3.23Å; H130-R134 PolarHBondContact O-N 3.43Å; H130-R134 VanDerWaalsContact O-N 3.09Å; H130-K189 PolarHBondContact NE2-O 3.08Å; H130-Y190 AromaticContact CE1-CD1 3.48Å; H130-Y190 VanDerWaalsContact CE1-CD1 3.48Å; H130-Y190 WeakPolarHBondContact CE1-CD1 3.26Å; H130-P191 HydrophobicContact CB-CG 3.98Å; H130-P191 WeakPolarHBondContact ND1-CD 3.34Å
131R95.7Very high92.9Very high189 Ų18974.2 Ų74.271%0.71335%0.353SS*.Hα-helixtrans-51.5-44.9-171.5-177-179.8172.9-158.9-3113.4Q129 V133 R134 L135Q129-R131 PolarHBondContact O-N 3.21Å; R131-V133 PolarHBondContact O-N 3.12Å; R131-R134 PolarHBondContact O-N 2.89Å; R131-L135 HydrophobicContact CG-CD1 3.83Å; R131-L135 HydrophobicContact CG-CG 4.25Å; R131-L135 WeakPolarHBondContact O-CB 3.33Å; R131-L135 VanDerWaalsContact O-CG 3.27Å; R131-L135 WeakPolarHBondContact O-CG 3.48Å; R131-L135 PolarHBondContact O-N 3.31Å
132I94.6Very high92.9Very high22 Ų2276.4 Ų76.411%0.11337%0.37CS..Hα-helixtrans-63-42.1-179.3-159.1165.8000112.3H130 R134 L135 E136 H183 L186 Y190H130-I132 VanDerWaalsContact C-N 3.31Å; H130-I132 WeakPolarHBondContact ND1-CG2 3.11Å; H130-I132 PolarHBondContact ND1-N 3.27Å; H130-I132 PolarHBondContact O-N 2.74Å; H130-I132 VanDerWaalsContact O-N 3.16Å; I132-R134 PolarHBondContact O-N 2.82Å; I132-L135 PolarHBondContact O-N 2.58Å; I132-E136 WeakPolarHBondContact O-CB 3.16Å; I132-E136 VanDerWaalsContact O-CG 3.31Å; I132-E136 WeakPolarHBondContact O-CG 3.28Å; I132-E136 PolarHBondContact O-N 2.96Å; I132-H183 HydrophobicContact CD1-CB 4.13Å; I132-L186 HydrophobicContact CD1-CD1 4.26Å; I132-Y190 HydrophobicContact CD1-CD2 3.54Å; I132-Y190 HydrophobicContact CD1-CE2 3.95Å; I132-Y190 HydrophobicContact CD1-CG 4.02Å
133V94.7Very high93Very high0 Ų076.3 Ų76.30%037%0.367CS..Hα-helixtrans-66.2-41.5-179.5179.90000110.2C127 H130 R131 E136 R137 L138 I140 P191C127-V133 WeakPolarHBondContact O-CB 3.46Å; C127-V133 WeakPolarHBondContact O-CG2 3.22Å; H130-V133 HydrophobicContact CB-CG2 4.32Å; H130-V133 PolarHBondContact O-N 3.23Å; R131-V133 PolarHBondContact O-N 3.12Å; V133-E136 CarbonylContact O-C 3.56Å; V133-E136 PolarHBondContact O-N 2.86Å; V133-R137 PolarHBondContact O-N 3.03Å; V133-R137 VanDerWaalsContact O-N 3.11Å; V133-L138 HydrophobicContact CG1-CB 3.96Å; V133-L138 PolarHBondContact O-N 3.19Å; V133-L138 VanDerWaalsContact O-N 3.08Å; V133-I140 HydrophobicContact CG1-CD1 4.03Å; V133-I140 HydrophobicContact CG1-CG1 3.91Å; V133-P191 HydrophobicContact CG2-CG 4.19Å
134R95.4Very high93.2Very high176 Ų17671.9 Ų71.966%0.66434%0.343SS*.Hα-helixtrans-65.9-46.9175.6-70.6-17460.5110.9-0.2113.1R128 Q129 H130 R131 I132 E136 R137R128-R134 WeakPolarHBondContact O-CG 3.23Å; Q129-R134 WeakPolarHBondContact O-CD 3.23Å; H130-R134 PolarHBondContact O-N 3.43Å; H130-R134 VanDerWaalsContact O-N 3.09Å; R131-R134 PolarHBondContact O-N 2.89Å; I132-R134 PolarHBondContact O-N 2.82Å; R134-E136 PolarHBondContact O-N 2.58Å; R134-R137 PolarHBondContact O-N 3.17Å
135L94.8Very high93.4Very high120 Ų12070.3 Ų70.363%0.62833%0.331SS*.Hα-helixtrans-59.4-38.5178.9-76.8173.3000111R131 I132 R137R131-L135 HydrophobicContact CG-CD1 3.83Å; R131-L135 HydrophobicContact CG-CG 4.25Å; R131-L135 WeakPolarHBondContact O-CB 3.33Å; R131-L135 VanDerWaalsContact O-CG 3.27Å; R131-L135 WeakPolarHBondContact O-CG 3.48Å; R131-L135 PolarHBondContact O-N 3.31Å; I132-L135 PolarHBondContact O-N 2.58Å; L135-R137 VanDerWaalsContact C-N 3.27Å; L135-R137 PolarHBondContact O-N 2.86Å
136E93.8Very high93.6Very high55 Ų5567.2 Ų67.226%0.25731%0.309SS..THydrogen-bonded Turntrans-844.2176.5-64.4-170.1149.600113.9R49 I132 V133 R134 L138 K181 H183R49-E136 PolarHBondContact NH2-O 2.91Å; I132-E136 WeakPolarHBondContact O-CB 3.16Å; I132-E136 VanDerWaalsContact O-CG 3.31Å; I132-E136 WeakPolarHBondContact O-CG 3.28Å; I132-E136 PolarHBondContact O-N 2.96Å; V133-E136 CarbonylContact O-C 3.56Å; V133-E136 PolarHBondContact O-N 2.86Å; R134-E136 PolarHBondContact O-N 2.58Å; E136-L138 HydrophobicContact CB-CD1 4.15Å; E136-L138 HydrophobicContact CB-CG 3.96Å; E136-L138 PolarHBondContact O-N 3.35Å; E136-L138 WeakPolarHBondContact OE2-CD1 3.45Å; E136-K181 WeakPolarHBondContact OE1-CE 3.42Å; E136-K181 IonicContact OE1-NZ 3.23Å; E136-K181 PolarHBondContact OE1-NZ 3.28Å; E136-K181 WeakPolarHBondContact OE2-CE 3.41Å; E136-K181 IonicContact OE2-NZ 3.6Å; E136-K181 PolarHBondContact OE2-NZ 3.33Å; E136-H183 IonicContact OE1-NE2 3.03Å; E136-H183 IonicContact OE2-CE1 3.59Å; E136-H183 PolarHBondContact OE2-CE1 3.36Å; E136-H183 IonicContact OE2-NE2 2.63Å; E136-H183 PolarHBondContact OE2-NE2 3.25Å
137R93.8Very high93.5Very high214 Ų21464.8 Ų64.881%0.80829%0.293SS*.THydrogen-bonded Turntrans49.142178.1-52-179.3-176.2-179.3-0.1113.2V133 R134 L135V133-R137 PolarHBondContact O-N 3.03Å; V133-R137 VanDerWaalsContact O-N 3.11Å; R134-R137 PolarHBondContact O-N 3.17Å; L135-R137 VanDerWaalsContact C-N 3.27Å; L135-R137 PolarHBondContact O-N 2.86Å
138L92.7Very high93.4Very high16 Ų1667.2 Ų67.28%0.08430%0.303CS..  trans-88.5130.4177-62.8177.8000109.5V133 E136 I140 K181 I193V133-L138 HydrophobicContact CG1-CB 3.96Å; V133-L138 PolarHBondContact O-N 3.19Å; V133-L138 VanDerWaalsContact O-N 3.08Å; E136-L138 HydrophobicContact CB-CD1 4.15Å; E136-L138 HydrophobicContact CB-CG 3.96Å; E136-L138 PolarHBondContact O-N 3.35Å; E136-L138 WeakPolarHBondContact OE2-CD1 3.45Å; L138-I140 HydrophobicContact CB-CD1 4.39Å; L138-K181 HydrophobicContact CD1-CD 4.32Å; L138-I193 HydrophobicContact CB-CD1 4.45Å; L138-I193 HydrophobicContact CD1-CD1 3.2Å; L138-I193 HydrophobicContact CG-CD1 4.42Å
139N91.2Very high93.1Very high121 Ų12162.7 Ų62.765%0.64729%0.286SS*.  trans-101105.6175.9-173.423.9000108.9G141 Q144N139-G141 PolarHBondContact O-N 3.2Å; N139-Q144 PolarHBondContact O-OE1 2.84Å
140I92.7Very high92.7Very high0 Ų058.8 Ų58.80%027%0.268CS..  trans-79.7106.1-177.7-50.5-57000108.9R128 V133 L138 Q144 I193R128-I140 HydrophobicContact CG-CB 3.81Å; R128-I140 HydrophobicContact CG-CG1 4.02Å; R128-I140 PolarHBondContact NE-O 2.82Å; R128-I140 PolarHBondContact NH2-O 2.75Å; V133-I140 HydrophobicContact CG1-CD1 4.03Å; V133-I140 HydrophobicContact CG1-CG1 3.91Å; L138-I140 HydrophobicContact CB-CD1 4.39Å; I140-Q144 HydrophobicContact CG2-CB 4.13Å; I140-I193 HydrophobicContact CD1-CD1 3.88Å; I140-I193 HydrophobicContact CD1-CG1 4.16Å; I140-I193 HydrophobicContact CD1-CG2 4.21Å
141G91.1Very high92Very high14 Ų1461.3 Ų61.314%0.14429%0.289CS..  trans-87.2-157.2177.900000114N139 E143N139-G141 PolarHBondContact O-N 3.2Å; G141-E143 VanDerWaalsContact CA-OE2 3.25Å; G141-E143 WeakPolarHBondContact CA-OE2 3.22Å
142T90.1Very high91.1Very high103 Ų10358.6 Ų58.663%0.63229%0.288SS*.SBendtrans-85.7-18.4173.851.80000112.2Q144 N196T142-Q144 PolarHBondContact O-N 3.15Å; T142-N196 PolarHBondContact O-ND2 2.81Å; T142-N196 VanDerWaalsContact O-ND2 3.13Å
143E91.3Very high90.2Very high26 Ų2658.6 Ų58.612%0.12129%0.289CS..SBendtrans-78.7-3.4174.974.2-68.5167.300113.4T53 G141 N196 H199 Y200T53-E143 WeakPolarHBondContact CG2-OE1 3.3Å; G141-E143 VanDerWaalsContact CA-OE2 3.25Å; G141-E143 WeakPolarHBondContact CA-OE2 3.22Å; E143-N196 WeakPolarHBondContact O-CB 3.11Å; E143-N196 PolarHBondContact O-N 3.3Å; E143-H199 HydrophobicContact CB-CB 4.39Å; E143-Y200 HydrophobicContact CB-CE2 3.86Å; E143-Y200 WeakPolarHBondContact CB-OH 3.39Å; E143-Y200 WeakPolarHBondContact CG-OH 3.4Å
144Q93.9Very high88.8Confident7 Ų764.9 Ų64.93%0.03331%0.314CS..EExtended strand (participates in β ladder)trans-133.2154.2178.6-57.8-179.2-50.600111G51 G52 N139 I140 T142 I193 Y194G51-Q144 VanDerWaalsContact C-NE2 3.34Å; G51-Q144 PolarHBondContact O-NE2 3.46Å; G52-Q144 PolarHBondContact O-NE2 3.1Å; N139-Q144 PolarHBondContact O-OE1 2.84Å; I140-Q144 HydrophobicContact CG2-CB 4.13Å; T142-Q144 PolarHBondContact O-N 3.15Å; Q144-I193 HydrophobicContact CB-CG2 4.46Å; Q144-Y194 VanDerWaalsContact CA-O 3.23Å; Q144-Y194 WeakPolarHBondContact CA-O 3.32Å; Q144-Y194 WeakPolarHBondContact CB-O 3.46Å
145F92.9Very high87.7Confident9 Ų958.6 Ų58.64%0.03929%0.29CS..EExtended strand (participates in β ladder)trans-138.7165.7167.167.1-85.7000109.9W87 I121 V164 Y194 I195 N196W87-F145 HydrophobicContact CH2-CB 4.26Å; W87-F145 AromaticContact CH2-CD1 3.5Å; W87-F145 HydrophobicContact CH2-CD1 3.5Å; W87-F145 AromaticContact CH2-CD2 3.87Å; W87-F145 HydrophobicContact CH2-CD2 3.87Å; W87-F145 AromaticContact CH2-CE1 3.63Å; W87-F145 HydrophobicContact CH2-CE1 3.63Å; W87-F145 HydrophobicContact CH2-CE2 4Å; W87-F145 AromaticContact CH2-CG 3.61Å; W87-F145 HydrophobicContact CH2-CG 3.61Å; W87-F145 AromaticContact CH2-CZ 3.88Å; W87-F145 HydrophobicContact CH2-CZ 3.88Å; W87-F145 HydrophobicContact CZ2-CD1 4.03Å; W87-F145 HydrophobicContact CZ2-CE1 4.38Å; W87-F145 HydrophobicContact CZ2-CG 4.31Å; W87-F145 HydrophobicContact CZ3-CD1 4.43Å; W87-F145 HydrophobicContact CZ3-CD2 4.01Å; W87-F145 HydrophobicContact CZ3-CE2 4.17Å; W87-F145 HydrophobicContact CZ3-CG 4.14Å; W87-F145 HydrophobicContact CZ3-CZ 4.43Å; I121-F145 HydrophobicContact CG1-CD2 4.17Å; I121-F145 HydrophobicContact CG1-CE2 4.2Å; I121-F145 HydrophobicContact CG2-CD2 4.38Å; F145-V164 HydrophobicContact CZ-CB 4.32Å; F145-V164 HydrophobicContact CZ-CG1 4.17Å; F145-V164 HydrophobicContact CZ-CG2 4.23Å; F145-Y194 HydrophobicContact CD2-CD2 4.17Å; F145-Y194 HydrophobicContact CD2-CG 4.42Å; F145-Y194 AromaticContact CE2-CD2 3.84Å; F145-Y194 HydrophobicContact CE2-CD2 3.84Å; F145-Y194 AromaticContact CE2-CG 3.82Å; F145-Y194 HydrophobicContact CE2-CG 3.82Å; F145-Y194 HydrophobicContact CZ-CD2 4.43Å; F145-Y194 AromaticContact CZ-CG 3.95Å; F145-Y194 HydrophobicContact CZ-CG 3.95Å; F145-Y194 PolarHBondContact N-O 2.95Å; F145-Y194 PolarHBondContact O-N 3.22Å; F145-I195 VanDerWaalsContact CE1-O 3.31Å; F145-I195 WeakPolarHBondContact CE1-O 3.24Å; F145-N196 HydrophobicContact CD1-CB 4.02Å
146C93.6Very high86.8Confident0 Ų053.8 Ų53.80%027%0.266CS..EExtended strand (participates in β ladder)trans-121147.2179.8-60.30000110.2I121 T122 C127 P191 S192I121-C146 WeakPolarHBondContact CA-O 3.37Å; T122-C146 HydrophobicContact CG2-CB 3.64Å; T122-C146 PolarHBondContact N-O 2.95Å; C127-C146 HydrophobicContact CB-CB 3.46Å; C127-C146 VanDerWaalsContact CB-CB 3.46Å; C127-C146 WeakPolarHBondContact CB-SG 3.45Å; C127-C146 WeakPolarHBondContact SG-CB 3.23Å; C127-C146 CovalentContact SG-SG 2.01Å; C127-C146 PolarHBondContact SG-SG 3.37Å; C146-P191 HydrophobicContact CB-CB 4.11Å; C146-S192 VanDerWaalsContact CA-O 3.31Å; C146-S192 WeakPolarHBondContact CA-O 2.99Å
147A92.5Very high85.6Confident0 Ų051.2 Ų51.20%025%0.254CS..EExtended strand (participates in β ladder)trans-144.9152.3172.300000111.3I119 T120 I121 S192 Y194I119-A147 HydrophobicContact CB-CB 4Å; I119-A147 HydrophobicContact CD1-CB 3.87Å; I119-A147 HydrophobicContact CG1-CB 4.14Å; T120-A147 CarbonylContact O-C 3.45Å; T120-A147 WeakPolarHBondContact O-CA 3.33Å; T120-A147 WeakPolarHBondContact O-CB 3.41Å; I121-A147 HydrophobicContact CG1-CB 4.2Å; A147-S192 PolarHBondContact N-O 3.41Å; A147-S192 VanDerWaalsContact N-O 3.13Å; A147-S192 PolarHBondContact O-N 3.38Å; A147-Y194 HydrophobicContact CB-CD2 4.13Å; A147-Y194 HydrophobicContact CB-CE2 3.61Å
148F90.8Very high84.2Confident52 Ų5241 Ų4123%0.22822%0.216CC..EExtended strand (participates in β ladder)trans-98.2141.9171.8-64.9-86.7000109.3I119 T120 T122 K189 P191I119-F148 CarbonylContact C-O 3.45Å; I119-F148 WeakPolarHBondContact CA-O 3.19Å; I119-F148 WeakPolarHBondContact CB-O 2.92Å; T120-F148 PolarHBondContact N-O 3.44Å; T120-F148 PolarHBondContact O-N 3.5Å; T122-F148 HydrophobicContact CG2-CD2 4.33Å; T122-F148 HydrophobicContact CG2-CE2 3.78Å; F148-K189 WeakPolarHBondContact CE1-O 3.2Å; F148-P191 HydrophobicContact CD1-CB 4.32Å; F148-P191 HydrophobicContact CE1-CB 3.81Å; F148-P191 HydrophobicContact CE1-CG 4.13Å; F148-P191 HydrophobicContact CE2-CB 4.17Å; F148-P191 HydrophobicContact CZ-CB 3.72Å; F148-P191 HydrophobicContact CZ-CG 4.04Å
149Q88.2Confident83.6Confident5 Ų543.6 Ų43.62%0.02323%0.227CC..EExtended strand (participates in β ladder)trans-84.4146.6169.1-167.6177.6-1000109A117 R155 S184A117-Q149 HydrophobicContact CB-CG 4.13Å; Q149-R155 PolarHBondContact NE2-O 2.86Å; Q149-S184 PolarHBondContact OE1-OG 3Å
150Q86.6Confident83.5Confident59 Ų5939.7 Ų39.728%0.27621%0.209SC..PPolyproline II helixtrans-59.1148.5-180-66.9-64.2-7.400112.3E118 T120 D152 T153E118-Q150 HydrophobicContact CB-CG 4.06Å; E118-Q150 HydrophobicContact CG-CG 4.34Å; E118-Q150 PolarHBondContact O-N 3.39Å; T120-Q150 PolarHBondContact OG1-NE2 3.06Å; T120-Q150 VanDerWaalsContact OG1-NE2 3.08Å; Q150-D152 VanDerWaalsContact C-N 3.27Å; Q150-D152 WeakPolarHBondContact CB-OD1 3.31Å; Q150-D152 PolarHBondContact O-N 3.1Å; Q150-T153 PolarHBondContact O-N 3.09Å; Q150-T153 PolarHBondContact O-OG1 2.97Å
151P80.7Confident83.4Confident100 Ų10040.4 Ų40.465%0.64922%0.217SC*.THydrogen-bonded Turntrans-64.8-29.2-174.6-21.933000114.5T153P151-T153 VanDerWaalsContact C-N 3.25Å; P151-T153 PolarHBondContact O-N 3.34Å
152D78.2Confident83.4Confident131 Ų13140.3 Ų40.370%0.70121%0.214SC*.THydrogen-bonded Turntrans-74.4-14.8-177.565.3-20.2000113.1Q150 Y154Q150-D152 VanDerWaalsContact C-N 3.27Å; Q150-D152 WeakPolarHBondContact CB-OD1 3.31Å; Q150-D152 PolarHBondContact O-N 3.1Å; D152-Y154 PolarHBondContact O-N 2.89Å
153T74.4Confident83.6Confident22 Ų2237.1 Ų37.114%0.13520%0.195CC..  trans-76.1125.4-178.9-18.10000109.9R105 A117 Q150 P151R105-T153 PolarHBondContact NH1-O 3.02Å; A117-T153 HydrophobicContact CB-CG2 4.06Å; Q150-T153 PolarHBondContact O-N 3.09Å; Q150-T153 PolarHBondContact O-OG1 2.97Å; P151-T153 VanDerWaalsContact C-N 3.25Å; P151-T153 PolarHBondContact O-N 3.34Å
154Y66.4Low83.6Confident132 Ų13235.9 Ų35.952%0.51819%0.189SC..  trans-97.3-8.8179.659.1-85.6000112.8L104 R105 D152L104-Y154 HydrophobicContact CD2-CD2 3.63Å; L104-Y154 HydrophobicContact CD2-CE2 3.64Å; R105-Y154 VanDerWaalsContact CB-O 3.24Å; R105-Y154 WeakPolarHBondContact CB-O 3.11Å; R105-Y154 WeakPolarHBondContact CG-O 3.03Å; R105-Y154 PolarHBondContact N-O 2.97Å; D152-Y154 PolarHBondContact O-N 2.89Å
155R72.3Confident83.5Confident45 Ų4536.4 Ų36.417%0.1719%0.192CC..EExtended strand (participates in β ladder)trans-97.1138.6-179.7-62-171.9-175.3-160.40.8111L104 Y113 D115 Q149 Q157L104-R155 HydrophobicContact CD2-CG 4.28Å; Y113-R155 PolarHBondContact O-NH1 3.12Å; D115-R155 WeakPolarHBondContact OD2-CD 3.23Å; D115-R155 IonicContact OD2-CZ 2.7Å; D115-R155 IonicContact OD2-NE 2.73Å; D115-R155 IonicContact OD2-NH1 2.64Å; Q149-R155 PolarHBondContact NE2-O 2.86Å; R155-Q157 VanDerWaalsContact C-N 3.28Å; R155-Q157 HydrophobicContact CB-CG 3.78Å; R155-Q157 PolarHBondContact O-N 3.45Å; R155-Q157 VanDerWaalsContact O-N 3.08Å
156C75.3Confident83.3Confident19 Ų1936.2 Ų36.213%0.12819%0.192CC..EExtended strand (participates in β ladder)trans-74.392.5162.5160.50000105.6G102 R103 R105 C185G102-C156 WeakPolarHBondContact CA-O 3.34Å; R103-C156 PolarHBondContact N-O 2.01Å; R103-C156 WeakPolarHBondContact O-CB 3.41Å; R103-C156 PolarHBondContact O-N 2.86Å; R105-C156 HydrophobicContact CG-CB 4.13Å; C156-C185 HydrophobicContact CB-CB 3.67Å; C156-C185 WeakPolarHBondContact CB-SG 3.36Å; C156-C185 WeakPolarHBondContact SG-CB 3.18Å; C156-C185 CovalentContact SG-SG 2.01Å; C156-C185 PolarHBondContact SG-SG 3.29Å
157Q69.5Low82.9Confident0 Ų040 Ų400%021%0.208CC..  trans-103.3136172.8-65.3-163.12400108.3T98 D115 L116 A117 R155T98-Q157 HydrophobicContact CG2-CB 4.2Å; D115-Q157 PolarHBondContact O-OE1 3.16Å; D115-Q157 PolarHBondContact OD2-NE2 2.85Å; L116-Q157 VanDerWaalsContact CA-OE1 3.3Å; L116-Q157 PolarHBondContact O-NE2 2.95Å; A117-Q157 HydrophobicContact CB-CB 3.71Å; A117-Q157 HydrophobicContact CB-CG 4.08Å; A117-Q157 VanDerWaalsContact CB-OE1 3.31Å; R155-Q157 VanDerWaalsContact C-N 3.28Å; R155-Q157 HydrophobicContact CB-CG 3.78Å; R155-Q157 PolarHBondContact O-N 3.45Å; R155-Q157 VanDerWaalsContact O-N 3.08Å
158G64Low82.4Confident0 Ų041.6 Ų41.60%022%0.215CC..  trans102.667.4-166.800000110.8P182G158-P182 WeakPolarHBondContact O-CB 3.4Å; G158-P182 WeakPolarHBondContact O-CG 3.23Å
159E81Confident81.8Confident70 Ų7044 Ų4433%0.32724%0.239SC..  trans-70.7161.5161.3-64.1-166.9145.300108R103 G161 S162 T179R103-E159 IonicContact CZ-OE1 3.95Å; R103-E159 IonicContact NH1-OE1 3.58Å; R103-E159 PolarHBondContact NH1-OE1 3.08Å; E159-G161 PolarHBondContact O-N 3.14Å; E159-S162 PolarHBondContact N-OG 3.22Å; E159-S162 WeakPolarHBondContact O-CB 3.44Å; E159-S162 PolarHBondContact O-N 3.44Å; E159-S162 PolarHBondContact O-OG 2.97Å; E159-T179 VanDerWaalsContact O-CB 3.3Å; E159-T179 WeakPolarHBondContact O-CB 3.3Å
160S88.5Confident81.5Confident39 Ų3948 Ų4827%0.27326%0.26SS..THydrogen-bonded Turntrans-54.1135.5174-65.10000109.6L8 S162 T179 S180L8-S160 WeakPolarHBondContact CD1-O 2.97Å; S160-S162 VanDerWaalsContact C-N 3.35Å; S160-T179 CarbonylContact C-O 3.14Å; S160-T179 WeakPolarHBondContact CA-O 3.34Å; S160-S180 PolarHBondContact OG-O 3.21Å
161G90.7Very high81.3Confident15 Ų1550.3 Ų50.316%0.15527%0.274CS..THydrogen-bonded Turntrans86.5-12-172.700000115.8T5 E159 T179T5-G161 PolarHBondContact OG1-N 3.02Å; E159-G161 PolarHBondContact O-N 3.14Å; G161-T179 PolarHBondContact N-O 3.18Å
162S91.2Very high81.7Confident13 Ų1349.6 Ų49.69%0.09127%0.265CS..  trans-60.8136.8176.4-87.80000111.9L99 E159 S160 L178 T179L99-S162 WeakPolarHBondContact O-CB 3.44Å; L99-S162 PolarHBondContact O-OG 3.44Å; E159-S162 PolarHBondContact N-OG 3.22Å; E159-S162 WeakPolarHBondContact O-CB 3.44Å; E159-S162 PolarHBondContact O-N 3.44Å; E159-S162 PolarHBondContact O-OG 2.97Å; S160-S162 VanDerWaalsContact C-N 3.35Å; S162-L178 CarbonylContact O-C 3.52Å; S162-T179 WeakPolarHBondContact O-CB 3.27Å; S162-T179 PolarHBondContact O-N 3.42Å; S162-T179 PolarHBondContact O-OG1 2.81Å
163P93.3Very high82.3Confident36 Ų3647.4 Ų47.423%0.23425%0.247CC..EExtended strand (participates in β ladder)trans-72.6153.3-179.131.6-36000112.2T98 L99 L165 L175T98-P163 WeakPolarHBondContact CA-O 3.48Å; T98-P163 PolarHBondContact OG1-O 3.34Å; L99-P163 HydrophobicContact CB-CG 4.17Å; L99-P163 PolarHBondContact N-O 3.04Å; P163-L165 HydrophobicContact CB-CD2 3.96Å; P163-L165 HydrophobicContact CB-CG 4.4Å; P163-L165 HydrophobicContact CG-CD2 4.47Å; P163-L175 HydrophobicContact CB-CD1 3.46Å; P163-L175 VanDerWaalsContact CB-CD1 3.46Å
164V92.4Very high83Confident0 Ų047.3 Ų47.30%025%0.245CC..EExtended strand (participates in β ladder)trans-111.9121.9165.2-176.30000108F97 I119 F145 I176 G177 Y194F97-V164 CarbonylContact O-C 3.51Å; F97-V164 WeakPolarHBondContact O-CA 2.98Å; I119-V164 HydrophobicContact CD1-CG1 3.62Å; I119-V164 HydrophobicContact CD1-CG2 4.29Å; F145-V164 HydrophobicContact CZ-CB 4.32Å; F145-V164 HydrophobicContact CZ-CG1 4.17Å; F145-V164 HydrophobicContact CZ-CG2 4.23Å; V164-I176 HydrophobicContact CB-CG1 4.14Å; V164-I176 HydrophobicContact CG1-CD1 3.85Å; V164-I176 HydrophobicContact CG1-CG1 3.68Å; V164-I176 WeakPolarHBondContact O-CG1 3.47Å; V164-I176 PolarHBondContact O-N 3.49Å; V164-G177 PolarHBondContact N-O 3.11Å; V164-G177 PolarHBondContact O-N 3.42Å; V164-Y194 HydrophobicContact CG2-CD1 3.23Å; V164-Y194 HydrophobicContact CG2-CE1 3.57Å; V164-Y194 HydrophobicContact CG2-CG 4Å
165L91.7Very high84.3Confident18 Ų1841.3 Ų41.39%0.09422%0.222CC..EExtended strand (participates in β ladder)trans-114.5135.9-170.7-53177.2000109.9I74 F97 L99 P163 W173 H174 L175I74-L165 HydrophobicContact CD1-CD2 3.96Å; I74-L165 HydrophobicContact CG1-CD2 4.07Å; F97-L165 PolarHBondContact N-O 3.48Å; F97-L165 PolarHBondContact O-N 3.43Å; L99-L165 HydrophobicContact CB-CD1 4.49Å; P163-L165 HydrophobicContact CB-CD2 3.96Å; P163-L165 HydrophobicContact CB-CG 4.4Å; P163-L165 HydrophobicContact CG-CD2 4.47Å; L165-W173 HydrophobicContact CB-CE3 3.74Å; L165-W173 HydrophobicContact CB-CZ3 4.07Å; L165-H174 WeakPolarHBondContact CA-O 3.4Å; L165-L175 HydrophobicContact CD2-CD1 4.26Å
166K88.8Confident85.2Confident5 Ų539.2 Ų39.22%0.02221%0.213CC..EExtended strand (participates in β ladder)trans-117134.2167.8-170.1178.8-179.8-172.40108.2D85 I86 T94 T96 H174 I176D85-K166 PolarHBondContact O-NZ 3.03Å; I86-K166 PolarHBondContact O-NZ 3.36Å; T94-K166 VanDerWaalsContact CB-CE 3.48Å; T96-K166 HydrophobicContact CG2-CB 4.33Å; T96-K166 HydrophobicContact CG2-CG 4.19Å; K166-H174 PolarHBondContact N-O 2.92Å; K166-H174 PolarHBondContact O-N 3.49Å; K166-I176 HydrophobicContact CB-CD1 4.16Å; K166-I176 HydrophobicContact CB-CG1 4.4Å; K166-I176 HydrophobicContact CB-CG2 3.81Å
167K85.7Confident86Confident79 Ų7938.3 Ų38.334%0.34321%0.207SC..EExtended strand (participates in β ladder)trans-92128.4172.5-167.1178.7176.6-170.30108.9T94 N171 L172 W173T94-K167 VanDerWaalsContact CG2-O 3.27Å; T94-K167 WeakPolarHBondContact CG2-O 3.33Å; K167-N171 WeakPolarHBondContact CE-OD1 3.37Å; K167-N171 PolarHBondContact NZ-OD1 2.86Å; K167-L172 WeakPolarHBondContact CA-O 2.99Å; K167-W173 HydrophobicContact CB-CD2 4.07Å; K167-W173 HydrophobicContact CB-CE3 3.85Å; K167-W173 HydrophobicContact CB-CH2 4.05Å; K167-W173 HydrophobicContact CB-CZ2 4.21Å; K167-W173 HydrophobicContact CB-CZ3 3.86Å; K167-W173 HydrophobicContact CD-CH2 4.41Å; K167-W173 HydrophobicContact CD-CZ2 3.89Å; K167-W173 HydrophobicContact CG-CD2 4.23Å; K167-W173 HydrophobicContact CG-CZ2 4.3Å
168H81.1Confident87.2Confident34 Ų3438.5 Ų38.516%0.15721%0.208CC..  trans-94.5170.6178.7-74.7-111.2000111.5E77 D170 N171 L172 H174E77-H168 IonicContact OE2-CE1 2.97Å; E77-H168 PolarHBondContact OE2-CE1 2.91Å; E77-H168 IonicContact OE2-NE2 3.83Å; E77-H168 PolarHBondContact OE2-NE2 2.98Å; H168-D170 VanDerWaalsContact CB-OD1 3.24Å; H168-D170 WeakPolarHBondContact CB-OD1 3.3Å; H168-D170 PolarHBondContact O-N 2.96Å; H168-N171 WeakPolarHBondContact O-CA 2.97Å; H168-N171 PolarHBondContact O-N 2.98Å; H168-L172 PolarHBondContact N-O 2.86Å; H168-H174 AromaticContact CD2-CD2 3.84Å; H168-H174 AromaticContact CD2-CG 3.52Å; H168-H174 AromaticContact CD2-ND1 3.78Å; H168-H174 AromaticContact CE1-ND1 3.94Å; H168-H174 AromaticContact NE2-CG 3.61Å; H168-H174 AromaticContact NE2-ND1 3.58Å
169S78.5Confident88.6Confident103 Ų10338.5 Ų38.572%0.7221%0.208SC*.THydrogen-bonded Turntrans-64.2-23.8-177.7530000113.6N171S169-N171 PolarHBondContact O-N 3.39Å
170D81.8Confident89.3Confident88 Ų8835.1 Ų35.147%0.47119%0.193SC..THydrogen-bonded Turntrans-76.82.5171.764.4-1.1000113.9H168 L172H168-D170 VanDerWaalsContact CB-OD1 3.24Å; H168-D170 WeakPolarHBondContact CB-OD1 3.3Å; H168-D170 PolarHBondContact O-N 2.96Å; D170-L172 PolarHBondContact O-N 2.79Å; D170-L172 WeakPolarHBondContact OD1-CB 3.08Å; D170-L172 PolarHBondContact OD1-N 2.92Å; D170-L172 WeakPolarHBondContact OD2-CD1 3.5Å
171N82.8Confident89.5Confident107 Ų10735.6 Ų35.657%0.57219%0.19SC*.SBendtrans66.312.4-173.7-67.4-69.2000115.9K167 H168 S169K167-N171 WeakPolarHBondContact CE-OD1 3.37Å; K167-N171 PolarHBondContact NZ-OD1 2.86Å; H168-N171 WeakPolarHBondContact O-CA 2.97Å; H168-N171 PolarHBondContact O-N 2.98Å; S169-N171 PolarHBondContact O-N 3.39Å
172L88.1Confident89.5Confident85 Ų8536.2 Ų36.245%0.44519%0.191SC..  trans-83.9151.9172.1-62.6-179.1000111.4K167 H168 D170K167-L172 WeakPolarHBondContact CA-O 2.99Å; H168-L172 PolarHBondContact N-O 2.86Å; D170-L172 PolarHBondContact O-N 2.79Å; D170-L172 WeakPolarHBondContact OD1-CB 3.08Å; D170-L172 PolarHBondContact OD1-N 2.92Å; D170-L172 WeakPolarHBondContact OD2-CD1 3.5Å
173W90Very high89.4Confident86 Ų8635.9 Ų35.933%0.32619%0.188SC..EExtended strand (participates in β ladder)trans-103.7124.6177.2-7193.3000109.8I74 F97 L165 K167I74-W173 HydrophobicContact CD1-CB 3.78Å; I74-W173 WeakPolarHBondContact CD1-O 3.49Å; F97-W173 AromaticContact CD2-CH2 3.88Å; F97-W173 HydrophobicContact CD2-CH2 3.88Å; F97-W173 AromaticContact CD2-CZ3 3.78Å; F97-W173 HydrophobicContact CD2-CZ3 3.78Å; F97-W173 HydrophobicContact CE2-CH2 4.12Å; F97-W173 HydrophobicContact CE2-CZ3 4.36Å; L165-W173 HydrophobicContact CB-CE3 3.74Å; L165-W173 HydrophobicContact CB-CZ3 4.07Å; K167-W173 HydrophobicContact CB-CD2 4.07Å; K167-W173 HydrophobicContact CB-CE3 3.85Å; K167-W173 HydrophobicContact CB-CH2 4.05Å; K167-W173 HydrophobicContact CB-CZ2 4.21Å; K167-W173 HydrophobicContact CB-CZ3 3.86Å; K167-W173 HydrophobicContact CD-CH2 4.41Å; K167-W173 HydrophobicContact CD-CZ2 3.89Å; K167-W173 HydrophobicContact CG-CD2 4.23Å; K167-W173 HydrophobicContact CG-CZ2 4.3Å
174H91Very high89Confident20 Ų2034.1 Ų34.19%0.09318%0.177CC..EExtended strand (participates in β ladder)trans-111.1138-177.2-75.1-148.6000110.4C75 E77 L165 K166 H168 I176C75-H174 WeakPolarHBondContact O-CA 3.11Å; E77-H174 IonicContact OE1-ND1 3.94Å; E77-H174 IonicContact OE2-CE1 3.75Å; E77-H174 IonicContact OE2-CG 3.98Å; E77-H174 IonicContact OE2-ND1 2.84Å; E77-H174 PolarHBondContact OE2-ND1 3.44Å; L165-H174 WeakPolarHBondContact CA-O 3.4Å; K166-H174 PolarHBondContact N-O 2.92Å; K166-H174 PolarHBondContact O-N 3.49Å; H168-H174 AromaticContact CD2-CD2 3.84Å; H168-H174 AromaticContact CD2-CG 3.52Å; H168-H174 AromaticContact CD2-ND1 3.78Å; H168-H174 AromaticContact CE1-ND1 3.94Å; H168-H174 AromaticContact NE2-CG 3.61Å; H168-H174 AromaticContact NE2-ND1 3.58Å; H174-I176 PolarHBondContact O-N 3.08Å
175L92.4Very high88.6Confident6 Ų635.4 Ų35.43%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-80.6104.4171.8-17769.8000109.3I74 C75 F76 P163 L165 G177 L178 I197I74-L175 HydrophobicContact CG1-CB 4.01Å; I74-L175 HydrophobicContact CG2-CB 4Å; I74-L175 HydrophobicContact CG2-CD2 4.28Å; C75-L175 PolarHBondContact O-N 2.94Å; F76-L175 HydrophobicContact CE1-CD2 3.89Å; F76-L175 HydrophobicContact CZ-CD2 4.02Å; P163-L175 HydrophobicContact CB-CD1 3.46Å; P163-L175 VanDerWaalsContact CB-CD1 3.46Å; L165-L175 HydrophobicContact CD2-CD1 4.26Å; L175-G177 VanDerWaalsContact CD1-O 3.26Å; L175-G177 WeakPolarHBondContact CD1-O 3.17Å; L175-L178 HydrophobicContact CD1-CD2 4.25Å; L175-I197 HydrophobicContact CD2-CD1 4.48Å; L175-I197 HydrophobicContact CD2-CG1 4.33Å; L175-I197 HydrophobicContact CG-CG1 4.33Å
176I91.3Very high88.3Confident0 Ų040.1 Ų40.10%021%0.21CC..EExtended strand (participates in β ladder)trans-97.5-16.8178.663.3161.6000112.5I86 W87 T96 I121 V164 K166 H174 I197I86-I176 HydrophobicContact CG2-CB 4.47Å; I86-I176 HydrophobicContact CG2-CG2 4.16Å; W87-I176 HydrophobicContact CH2-CD1 4.25Å; W87-I176 HydrophobicContact CZ3-CD1 4.11Å; T96-I176 HydrophobicContact CG2-CD1 3.94Å; I121-I176 HydrophobicContact CD1-CD1 4.49Å; V164-I176 HydrophobicContact CB-CG1 4.14Å; V164-I176 HydrophobicContact CG1-CD1 3.85Å; V164-I176 HydrophobicContact CG1-CG1 3.68Å; V164-I176 WeakPolarHBondContact O-CG1 3.47Å; V164-I176 PolarHBondContact O-N 3.49Å; K166-I176 HydrophobicContact CB-CD1 4.16Å; K166-I176 HydrophobicContact CB-CG1 4.4Å; K166-I176 HydrophobicContact CB-CG2 3.81Å; H174-I176 PolarHBondContact O-N 3.08Å; I176-I197 PolarHBondContact O-N 3.09Å; I176-I197 VanDerWaalsContact O-N 3.1Å
177G93Very high88.2Confident0 Ų041 Ų410%022%0.217CC..EExtended strand (participates in β ladder)trans-167.2172.9-179.700000115.6V164 L175 I195V164-G177 PolarHBondContact N-O 3.11Å; V164-G177 PolarHBondContact O-N 3.42Å; L175-G177 VanDerWaalsContact CD1-O 3.26Å; L175-G177 WeakPolarHBondContact CD1-O 3.17Å; G177-I195 WeakPolarHBondContact CA-O 3.38Å
178L94.6Very high88.3Confident4 Ų439.1 Ų39.12%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-127.5143.9172.7-65.3173.6000109.7C3 T5 I56 S162 L175 S180 Y194 I195 I197C3-L178 HydrophobicContact CB-CD1 4.36Å; T5-L178 HydrophobicContact CG2-CB 4.2Å; I56-L178 HydrophobicContact CG1-CD1 4.42Å; S162-L178 CarbonylContact O-C 3.52Å; L175-L178 HydrophobicContact CD1-CD2 4.25Å; L178-S180 PolarHBondContact O-N 2.97Å; L178-Y194 CarbonylContact O-C 3.37Å; L178-Y194 WeakPolarHBondContact O-CA 3.31Å; L178-I195 HydrophobicContact CB-CB 4.32Å; L178-I195 HydrophobicContact CB-CD1 4.19Å; L178-I195 HydrophobicContact CB-CG1 4.46Å; L178-I195 PolarHBondContact N-O 2.82Å; L178-I195 PolarHBondContact O-N 3.11Å; L178-I197 HydrophobicContact CD1-CD1 3.81Å; L178-I197 HydrophobicContact CG-CD1 3.91Å; L178-I197 HydrophobicContact CG-CG1 4.06Å
179T93.7Very high88.8Confident0 Ų045.1 Ų45.10%024%0.238CC..EExtended strand (participates in β ladder)trans-72.4112.6177.3-53.50000109.5T5 E159 S160 G161 S162 P182 Y194T5-T179 VanDerWaalsContact CG2-O 3.23Å; T5-T179 WeakPolarHBondContact CG2-O 3.33Å; E159-T179 VanDerWaalsContact O-CB 3.3Å; E159-T179 WeakPolarHBondContact O-CB 3.3Å; S160-T179 CarbonylContact C-O 3.14Å; S160-T179 WeakPolarHBondContact CA-O 3.34Å; G161-T179 PolarHBondContact N-O 3.18Å; S162-T179 WeakPolarHBondContact O-CB 3.27Å; S162-T179 PolarHBondContact O-N 3.42Å; S162-T179 PolarHBondContact O-OG1 2.81Å; T179-P182 HydrophobicContact CG2-CB 3.82Å; T179-P182 HydrophobicContact CG2-CG 4.35Å; T179-Y194 HydrophobicContact CG2-CD1 4.36Å; T179-Y194 HydrophobicContact CG2-CE1 4.04Å; T179-Y194 WeakPolarHBondContact OG1-CE1 3.17Å
180S94.2Very high89.4Confident0 Ų044.3 Ų44.30%022%0.22CC..EExtended strand (participates in β ladder)trans-88.7-54.9174.9171.90000110.1N7 G51 D55 S160 L178 I193N7-S180 PolarHBondContact ND2-O 2.99Å; G51-S180 WeakPolarHBondContact CA-OG 2.86Å; G51-S180 PolarHBondContact N-OG 3.22Å; D55-S180 PolarHBondContact OD2-OG 2.79Å; S160-S180 PolarHBondContact OG-O 3.21Å; L178-S180 PolarHBondContact O-N 2.97Å; S180-I193 PolarHBondContact N-O 3.08Å
181K93.1Very high90Very high48 Ų4840.1 Ų40.121%0.20920%0.197CC..EExtended strand (participates in β ladder)trans-136.2106-177-162.5167.9-175.5-178.80112.5P50 E136 L138 H183 S192 I193P50-K181 HydrophobicContact CB-CD 4.43Å; E136-K181 WeakPolarHBondContact OE1-CE 3.42Å; E136-K181 IonicContact OE1-NZ 3.23Å; E136-K181 PolarHBondContact OE1-NZ 3.28Å; E136-K181 WeakPolarHBondContact OE2-CE 3.41Å; E136-K181 IonicContact OE2-NZ 3.6Å; E136-K181 PolarHBondContact OE2-NZ 3.33Å; L138-K181 HydrophobicContact CD1-CD 4.32Å; K181-H183 VanDerWaalsContact CD-NE2 3.3Å; K181-H183 WeakPolarHBondContact CD-NE2 3.3Å; K181-H183 WeakPolarHBondContact CE-NE2 3.3Å; K181-H183 PolarHBondContact O-N 3.1Å; K181-H183 VanDerWaalsContact O-N 3.08Å; K181-S192 WeakPolarHBondContact O-CA 3.31Å; K181-I193 HydrophobicContact CB-CB 4.28Å; K181-I193 PolarHBondContact N-O 2.75Å; K181-I193 PolarHBondContact O-N 2.87Å
182P90.7Very high90.5Very high29 Ų2935 Ų3519%0.18817%0.17CC..  trans-89.170.8-171.235.2-36.9000113.6G158 T179 S184 C185 S192G158-P182 WeakPolarHBondContact O-CB 3.4Å; G158-P182 WeakPolarHBondContact O-CG 3.23Å; T179-P182 HydrophobicContact CG2-CB 3.82Å; T179-P182 HydrophobicContact CG2-CG 4.35Å; P182-S184 PolarHBondContact O-N 2.88Å; P182-S184 VanDerWaalsContact O-N 3.14Å; P182-C185 VanDerWaalsContact O-CB 3.3Å; P182-C185 WeakPolarHBondContact O-CB 3.22Å; P182-C185 PolarHBondContact O-N 3.26Å; P182-S192 WeakPolarHBondContact CA-OG 3.36Å
183H90.1Very high90.8Very high5 Ų531 Ų312%0.02315%0.149CC..G310 helixtrans-59.7-24.2176.2-60.6137.1000113.6I132 E136 K181 C185 L186 S187 P191 S192I132-H183 HydrophobicContact CD1-CB 4.13Å; E136-H183 IonicContact OE1-NE2 3.03Å; E136-H183 IonicContact OE2-CE1 3.59Å; E136-H183 PolarHBondContact OE2-CE1 3.36Å; E136-H183 IonicContact OE2-NE2 2.63Å; E136-H183 PolarHBondContact OE2-NE2 3.25Å; K181-H183 VanDerWaalsContact CD-NE2 3.3Å; K181-H183 WeakPolarHBondContact CD-NE2 3.3Å; K181-H183 WeakPolarHBondContact CE-NE2 3.3Å; K181-H183 PolarHBondContact O-N 3.1Å; K181-H183 VanDerWaalsContact O-N 3.08Å; H183-C185 PolarHBondContact O-N 3.45Å; H183-C185 VanDerWaalsContact O-N 3.11Å; H183-L186 WeakPolarHBondContact O-CB 3.23Å; H183-L186 PolarHBondContact O-N 3.3Å; H183-S187 PolarHBondContact O-N 3.33Å; H183-P191 WeakPolarHBondContact CB-O 3.48Å; H183-P191 PolarHBondContact ND1-O 3.25Å; H183-S192 PolarHBondContact N-OG 3.16Å
184S85.1Confident91.1Very high0 Ų026.9 Ų26.90%013%0.133CC..G310 helixtrans-54.9-27.7173.366.10000112.1R105 Q149 P182 L186 S187 S192R105-S184 VanDerWaalsContact CZ-O 3.23Å; R105-S184 PolarHBondContact NE-O 3.42Å; R105-S184 PolarHBondContact NH2-O 3.28Å; Q149-S184 PolarHBondContact OE1-OG 3Å; P182-S184 PolarHBondContact O-N 2.88Å; P182-S184 VanDerWaalsContact O-N 3.14Å; S184-L186 PolarHBondContact O-N 3.26Å; S184-S187 WeakPolarHBondContact CA-O 3.48Å; S184-S187 CarbonylContact O-C 3.53Å; S184-S187 PolarHBondContact O-N 2.92Å; S184-S192 WeakPolarHBondContact CB-OG 3.34Å; S184-S192 PolarHBondContact N-OG 2.89Å; S184-S192 PolarHBondContact OG-OG 3.32Å
185C83.5Confident91.2Very high27 Ų2726.1 Ų26.118%0.18213%0.13CC..G310 helixtrans-65.9-25.7176.1-670000113.5C156 P182 H183C156-C185 HydrophobicContact CB-CB 3.67Å; C156-C185 WeakPolarHBondContact CB-SG 3.36Å; C156-C185 WeakPolarHBondContact SG-CB 3.18Å; C156-C185 CovalentContact SG-SG 2.01Å; C156-C185 PolarHBondContact SG-SG 3.29Å; P182-C185 VanDerWaalsContact O-CB 3.3Å; P182-C185 WeakPolarHBondContact O-CB 3.22Å; P182-C185 PolarHBondContact O-N 3.26Å; H183-C185 PolarHBondContact O-N 3.45Å; H183-C185 VanDerWaalsContact O-N 3.11Å
186L84.9Confident91.2Very high116 Ų11626.6 Ų26.661%0.60713%0.132SC*.THydrogen-bonded Turntrans-81.8-43.5172.5-58.1173.2000110.9I132 H183 S184 Y190I132-L186 HydrophobicContact CD1-CD1 4.26Å; H183-L186 WeakPolarHBondContact O-CB 3.23Å; H183-L186 PolarHBondContact O-N 3.3Å; S184-L186 PolarHBondContact O-N 3.26Å; L186-Y190 HydrophobicContact CB-CD2 4.12Å; L186-Y190 HydrophobicContact CB-CE2 4.41Å
187S87.1Confident91.3Very high25 Ų2526.6 Ų26.618%0.17513%0.132CC..  trans-163.4136.8-179.8179.70000110.9H183 S184 K189 Y190H183-S187 PolarHBondContact O-N 3.33Å; S184-S187 WeakPolarHBondContact CA-O 3.48Å; S184-S187 CarbonylContact O-C 3.53Å; S184-S187 PolarHBondContact O-N 2.92Å; S187-K189 PolarHBondContact O-N 2.7Å; S187-K189 VanDerWaalsContact O-N 3.08Å; S187-K189 PolarHBondContact OG-N 2.93Å; S187-Y190 PolarHBondContact O-N 3.02Å
188V87.8Confident91Very high39 Ų3928.3 Ų28.324%0.23614%0.143CC..THydrogen-bonded Turntrans-55.8-23.8170.4-67.70000113.2Y190V188-Y190 PolarHBondContact O-N 2.96Å
189K90.3Very high90.9Very high160 Ų16032.6 Ų32.670%0.69616%0.163SC*.THydrogen-bonded Turntrans-73.9-9.8178-57.7-174.1178.9-176.60112.9H130 F148 S187H130-K189 PolarHBondContact NE2-O 3.08Å; F148-K189 WeakPolarHBondContact CE1-O 3.2Å; S187-K189 PolarHBondContact O-N 2.7Å; S187-K189 VanDerWaalsContact O-N 3.08Å; S187-K189 PolarHBondContact OG-N 2.93Å
190Y92.5Very high90.8Very high86 Ų8632.9 Ų32.934%0.33716%0.164SC..SBendtrans-104.1130.5-178-61.3-19.5000110.4H130 I132 L186 S187 V188 S192H130-Y190 AromaticContact CE1-CD1 3.48Å; H130-Y190 VanDerWaalsContact CE1-CD1 3.48Å; H130-Y190 WeakPolarHBondContact CE1-CD1 3.26Å; I132-Y190 HydrophobicContact CD1-CD2 3.54Å; I132-Y190 HydrophobicContact CD1-CE2 3.95Å; I132-Y190 HydrophobicContact CD1-CG 4.02Å; L186-Y190 HydrophobicContact CB-CD2 4.12Å; L186-Y190 HydrophobicContact CB-CE2 4.41Å; S187-Y190 PolarHBondContact O-N 3.02Å; V188-Y190 PolarHBondContact O-N 2.96Å; Y190-S192 PolarHBondContact O-N 3.28Å
191P93.9Very high90.6Very high0 Ų033.5 Ų33.50%017%0.167CC..PPolyproline II helixtrans-71.4128.1177.928.2-31.1000109.6H130 V133 C146 F148 H183H130-P191 HydrophobicContact CB-CG 3.98Å; H130-P191 WeakPolarHBondContact ND1-CD 3.34Å; V133-P191 HydrophobicContact CG2-CG 4.19Å; C146-P191 HydrophobicContact CB-CB 4.11Å; F148-P191 HydrophobicContact CD1-CB 4.32Å; F148-P191 HydrophobicContact CE1-CB 3.81Å; F148-P191 HydrophobicContact CE1-CG 4.13Å; F148-P191 HydrophobicContact CE2-CB 4.17Å; F148-P191 HydrophobicContact CZ-CB 3.72Å; F148-P191 HydrophobicContact CZ-CG 4.04Å; H183-P191 WeakPolarHBondContact CB-O 3.48Å; H183-P191 PolarHBondContact ND1-O 3.25Å
192S94Very high90.4Very high0 Ų038.8 Ų38.80%019%0.19CC..EExtended strand (participates in β ladder)trans-76.5147.3166.1-690000109.5C146 A147 K181 P182 H183 S184 Y190 Y194C146-S192 VanDerWaalsContact CA-O 3.31Å; C146-S192 WeakPolarHBondContact CA-O 2.99Å; A147-S192 PolarHBondContact N-O 3.41Å; A147-S192 VanDerWaalsContact N-O 3.13Å; A147-S192 PolarHBondContact O-N 3.38Å; K181-S192 WeakPolarHBondContact O-CA 3.31Å; P182-S192 WeakPolarHBondContact CA-OG 3.36Å; H183-S192 PolarHBondContact N-OG 3.16Å; S184-S192 WeakPolarHBondContact CB-OG 3.34Å; S184-S192 PolarHBondContact N-OG 2.89Å; S184-S192 PolarHBondContact OG-OG 3.32Å; Y190-S192 PolarHBondContact O-N 3.28Å; S192-Y194 WeakPolarHBondContact CB-OH 3.31Å; S192-Y194 WeakPolarHBondContact O-CD2 3.48Å; S192-Y194 WeakPolarHBondContact O-CE2 3.25Å
193I94.6Very high90.6Very high0 Ų039.6 Ų39.60%019%0.19CC..EExtended strand (participates in β ladder)trans-103.3128.8-179.5-58.6169.2000108.3L138 I140 Q144 S180 K181L138-I193 HydrophobicContact CB-CD1 4.45Å; L138-I193 HydrophobicContact CD1-CD1 3.2Å; L138-I193 HydrophobicContact CG-CD1 4.42Å; I140-I193 HydrophobicContact CD1-CD1 3.88Å; I140-I193 HydrophobicContact CD1-CG1 4.16Å; I140-I193 HydrophobicContact CD1-CG2 4.21Å; Q144-I193 HydrophobicContact CB-CG2 4.46Å; S180-I193 PolarHBondContact N-O 3.08Å; K181-I193 HydrophobicContact CB-CB 4.28Å; K181-I193 PolarHBondContact N-O 2.75Å; K181-I193 PolarHBondContact O-N 2.87Å
194Y94.7Very high90.7Very high0 Ų040.2 Ų40.20%019%0.193CC..EExtended strand (participates in β ladder)trans-121.7150.4-178-57-88.6000110I119 Q144 F145 A147 V164 L178 T179 S192I119-Y194 HydrophobicContact CD1-CE1 4.5Å; I119-Y194 HydrophobicContact CD1-CE2 4.41Å; Q144-Y194 VanDerWaalsContact CA-O 3.23Å; Q144-Y194 WeakPolarHBondContact CA-O 3.32Å; Q144-Y194 WeakPolarHBondContact CB-O 3.46Å; F145-Y194 HydrophobicContact CD2-CD2 4.17Å; F145-Y194 HydrophobicContact CD2-CG 4.42Å; F145-Y194 AromaticContact CE2-CD2 3.84Å; F145-Y194 HydrophobicContact CE2-CD2 3.84Å; F145-Y194 AromaticContact CE2-CG 3.82Å; F145-Y194 HydrophobicContact CE2-CG 3.82Å; F145-Y194 HydrophobicContact CZ-CD2 4.43Å; F145-Y194 AromaticContact CZ-CG 3.95Å; F145-Y194 HydrophobicContact CZ-CG 3.95Å; F145-Y194 PolarHBondContact N-O 2.95Å; F145-Y194 PolarHBondContact O-N 3.22Å; A147-Y194 HydrophobicContact CB-CD2 4.13Å; A147-Y194 HydrophobicContact CB-CE2 3.61Å; V164-Y194 HydrophobicContact CG2-CD1 3.23Å; V164-Y194 HydrophobicContact CG2-CE1 3.57Å; V164-Y194 HydrophobicContact CG2-CG 4Å; L178-Y194 CarbonylContact O-C 3.37Å; L178-Y194 WeakPolarHBondContact O-CA 3.31Å; T179-Y194 HydrophobicContact CG2-CD1 4.36Å; T179-Y194 HydrophobicContact CG2-CE1 4.04Å; T179-Y194 WeakPolarHBondContact OG1-CE1 3.17Å; S192-Y194 WeakPolarHBondContact CB-OH 3.31Å; S192-Y194 WeakPolarHBondContact O-CD2 3.48Å; S192-Y194 WeakPolarHBondContact O-CE2 3.25Å
195I94.6Very high91Very high3 Ų344.7 Ų44.72%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-80.9130.1171.6-53.3177.9000107.2T5 D55 I56 F145 G177 L178 I197 Y200T5-I195 HydrophobicContact CG2-CD1 3.61Å; D55-I195 HydrophobicContact CB-CD1 4.06Å; D55-I195 WeakPolarHBondContact O-CD1 3.41Å; I56-I195 HydrophobicContact CB-CD1 4.15Å; I56-I195 HydrophobicContact CB-CG2 4.42Å; F145-I195 VanDerWaalsContact CE1-O 3.31Å; F145-I195 WeakPolarHBondContact CE1-O 3.24Å; G177-I195 WeakPolarHBondContact CA-O 3.38Å; L178-I195 HydrophobicContact CB-CB 4.32Å; L178-I195 HydrophobicContact CB-CD1 4.19Å; L178-I195 HydrophobicContact CB-CG1 4.46Å; L178-I195 PolarHBondContact N-O 2.82Å; L178-I195 PolarHBondContact O-N 3.11Å; I195-I197 PolarHBondContact O-N 2.95Å; I195-Y200 HydrophobicContact CG2-CD2 3.68Å; I195-Y200 HydrophobicContact CG2-CE2 3.5Å
196N92.2Very high91.4Very high16 Ų1649.2 Ų49.29%0.08623%0.232CC..EExtended strand (participates in β ladder)trans-78.599.9171.5-177.39.3000109.4T142 E143 F145 T198 H199 Y200T142-N196 PolarHBondContact O-ND2 2.81Å; T142-N196 VanDerWaalsContact O-ND2 3.13Å; E143-N196 WeakPolarHBondContact O-CB 3.11Å; E143-N196 PolarHBondContact O-N 3.3Å; F145-N196 HydrophobicContact CD1-CB 4.02Å; N196-T198 PolarHBondContact O-N 2.96Å; N196-T198 PolarHBondContact OD1-N 2.93Å; N196-T198 PolarHBondContact OD1-OG1 3.41Å; N196-H199 HydrophobicContact CB-CB 4.28Å; N196-H199 VanDerWaalsContact O-CB 3.32Å; N196-H199 WeakPolarHBondContact O-CB 3.48Å; N196-H199 PolarHBondContact O-N 2.73Å; N196-H199 VanDerWaalsContact O-N 3.16Å; N196-Y200 VanDerWaalsContact O-CD2 3.31Å; N196-Y200 WeakPolarHBondContact O-CD2 3.45Å
197I92Very high91.7Very high1 Ų143.8 Ų43.81%0.00520%0.204CC..G310 helixtrans-63.1-31.1-174.7-80.6-75.3000111.8I56 F76 L175 I176 L178 I195 H199 Y200 T201 I204I56-I197 HydrophobicContact CD1-CD1 3.63Å; F76-I197 HydrophobicContact CD1-CG2 3.56Å; F76-I197 HydrophobicContact CE1-CG2 3.51Å; L175-I197 HydrophobicContact CD2-CD1 4.48Å; L175-I197 HydrophobicContact CD2-CG1 4.33Å; L175-I197 HydrophobicContact CG-CG1 4.33Å; I176-I197 PolarHBondContact O-N 3.09Å; I176-I197 VanDerWaalsContact O-N 3.1Å; L178-I197 HydrophobicContact CD1-CD1 3.81Å; L178-I197 HydrophobicContact CG-CD1 3.91Å; L178-I197 HydrophobicContact CG-CG1 4.06Å; I195-I197 PolarHBondContact O-N 2.95Å; I197-H199 PolarHBondContact O-N 3.5Å; I197-Y200 CarbonylContact O-C 3.53Å; I197-Y200 WeakPolarHBondContact O-CA 3.37Å; I197-Y200 PolarHBondContact O-N 3.03Å; I197-T201 PolarHBondContact O-N 3.13Å; I197-I204 HydrophobicContact CD1-CD1 4.04Å; I197-I204 HydrophobicContact CG2-CD1 4.25Å
198T88.2Confident91.9Very high35 Ų3543.2 Ų43.222%0.21520%0.201CC..G310 helixtrans-69.1-23.1-178.968.30000112.7E77 I86 N196 Y200 T201E77-T198 HydrophobicContact CB-CG2 3.8Å; E77-T198 HydrophobicContact CG-CG2 4.37Å; I86-T198 HydrophobicContact CD1-CG2 3.5Å; I86-T198 HydrophobicContact CG1-CG2 4.49Å; N196-T198 PolarHBondContact O-N 2.96Å; N196-T198 PolarHBondContact OD1-N 2.93Å; N196-T198 PolarHBondContact OD1-OG1 3.41Å; T198-Y200 PolarHBondContact O-N 3.16Å; T198-T201 PolarHBondContact O-OG1 2.96Å
199H90.8Very high92Very high95 Ų9546.7 Ų46.744%0.4422%0.218SC..G310 helixtrans-66.5-27.8169.3-171.790.9000112.2E143 N196 I197E143-H199 HydrophobicContact CB-CB 4.39Å; N196-H199 HydrophobicContact CB-CB 4.28Å; N196-H199 VanDerWaalsContact O-CB 3.32Å; N196-H199 WeakPolarHBondContact O-CB 3.48Å; N196-H199 PolarHBondContact O-N 2.73Å; N196-H199 VanDerWaalsContact O-N 3.16Å; I197-H199 PolarHBondContact O-N 3.5Å
200Y92.5Very high92Very high5 Ų541.7 Ų41.72%0.0220%0.201CC..G310 helixtrans-103.72.1-173.1-67.4-77000113.9H43 N54 I56 E143 I195 N196 I197 T198 K202 W203 I204H43-Y200 AromaticContact CD2-CD1 3.85Å; H43-Y200 AromaticContact CD2-CE1 3.72Å; H43-Y200 AromaticContact NE2-CD1 3.97Å; H43-Y200 AromaticContact NE2-CE1 3.71Å; N54-Y200 VanDerWaalsContact CA-OH 3.23Å; N54-Y200 WeakPolarHBondContact CA-OH 3.07Å; N54-Y200 PolarHBondContact N-OH 2.78Å; N54-Y200 PolarHBondContact OD1-OH 3.13Å; I56-Y200 HydrophobicContact CD1-CD2 4.2Å; I56-Y200 HydrophobicContact CD1-CG 4.01Å; I56-Y200 HydrophobicContact CG2-CD1 3.91Å; I56-Y200 HydrophobicContact CG2-CD2 4.48Å; I56-Y200 HydrophobicContact CG2-CE1 4Å; I56-Y200 HydrophobicContact CG2-CG 4.17Å; E143-Y200 HydrophobicContact CB-CE2 3.86Å; E143-Y200 WeakPolarHBondContact CB-OH 3.39Å; E143-Y200 WeakPolarHBondContact CG-OH 3.4Å; I195-Y200 HydrophobicContact CG2-CD2 3.68Å; I195-Y200 HydrophobicContact CG2-CE2 3.5Å; N196-Y200 VanDerWaalsContact O-CD2 3.31Å; N196-Y200 WeakPolarHBondContact O-CD2 3.45Å; I197-Y200 CarbonylContact O-C 3.53Å; I197-Y200 WeakPolarHBondContact O-CA 3.37Å; I197-Y200 PolarHBondContact O-N 3.03Å; T198-Y200 PolarHBondContact O-N 3.16Å; Y200-K202 VanDerWaalsContact C-N 3.33Å; Y200-K202 PolarHBondContact O-N 3.38Å; Y200-W203 CarbonylContact O-C 3.59Å; Y200-W203 WeakPolarHBondContact O-CA 3.39Å; Y200-W203 WeakPolarHBondContact O-CB 3.2Å; Y200-W203 PolarHBondContact O-N 3.41Å; Y200-I204 WeakPolarHBondContact O-CG1 3.31Å; Y200-I204 PolarHBondContact O-N 3.27Å
201T89.6Confident91.7Very high13 Ų1337.7 Ų37.78%0.0819%0.186CC..Hα-helixtrans-52-48.2-175.3-50.60000112.7L79 I197 T198 W203 I204 E205L79-T201 HydrophobicContact CD2-CG2 3.45Å; L79-T201 VanDerWaalsContact CD2-CG2 3.45Å; L79-T201 HydrophobicContact CG-CG2 4.01Å; I197-T201 PolarHBondContact O-N 3.13Å; T198-T201 PolarHBondContact O-OG1 2.96Å; T201-W203 VanDerWaalsContact C-N 3.34Å; T201-W203 PolarHBondContact O-N 3.41Å; T201-I204 WeakPolarHBondContact O-CB 3.45Å; T201-I204 PolarHBondContact O-N 2.86Å; T201-I204 VanDerWaalsContact O-N 3.15Å; T201-E205 WeakPolarHBondContact O-CG 3.4Å; T201-E205 PolarHBondContact O-N 3.41Å
202K90.3Very high91.2Very high159 Ų15943.1 Ų43.169%0.69121%0.211SC*.Hα-helixtrans-62-39.3176.9-66.6-176.2178.8-179.90113.2L79 Y200 H206L79-K202 HydrophobicContact CD2-CG 3.99Å; Y200-K202 VanDerWaalsContact C-N 3.33Å; Y200-K202 PolarHBondContact O-N 3.38Å; K202-H206 WeakPolarHBondContact O-CB 3.36Å; K202-H206 PolarHBondContact O-N 3Å; K202-H206 VanDerWaalsContact O-N 3.1Å
203W93.6Very high90.7Very high47 Ų4747.3 Ų47.318%0.17825%0.245CC..Hα-helixtrans-66.8-41.2175.9172.782.2000110.7H43 I56 L58 Y200 T201 H206 A207H43-W203 HydrophobicContact CB-CH2 4.47Å; H43-W203 HydrophobicContact CB-CZ2 3.97Å; H43-W203 AromaticContact CD2-CD1 3.61Å; H43-W203 AromaticContact CD2-CD2 3.54Å; H43-W203 AromaticContact CD2-CE2 3.46Å; H43-W203 VanDerWaalsContact CD2-CE2 3.46Å; H43-W203 AromaticContact CD2-CG 3.66Å; H43-W203 AromaticContact CD2-NE1 3.48Å; H43-W203 PolarHBondContact CD2-NE1 2.01Å; H43-W203 AromaticContact NE2-CD1 3.7Å; H43-W203 AromaticContact NE2-CG 3.89Å; H43-W203 AromaticContact NE2-NE1 3.96Å; I56-W203 HydrophobicContact CB-CZ3 4.38Å; I56-W203 HydrophobicContact CD1-CE3 4.19Å; I56-W203 HydrophobicContact CD1-CZ3 3.83Å; I56-W203 HydrophobicContact CG1-CH2 4.44Å; I56-W203 HydrophobicContact CG1-CZ3 3.81Å; I56-W203 HydrophobicContact CG2-CE3 4.09Å; I56-W203 HydrophobicContact CG2-CH2 4.11Å; I56-W203 HydrophobicContact CG2-CZ3 3.77Å; L58-W203 HydrophobicContact CD1-CH2 4.15Å; L58-W203 HydrophobicContact CD1-CZ3 4.07Å; L58-W203 HydrophobicContact CG-CH2 4.07Å; L58-W203 HydrophobicContact CG-CZ3 4.07Å; Y200-W203 CarbonylContact O-C 3.59Å; Y200-W203 WeakPolarHBondContact O-CA 3.39Å; Y200-W203 WeakPolarHBondContact O-CB 3.2Å; Y200-W203 PolarHBondContact O-N 3.41Å; T201-W203 VanDerWaalsContact C-N 3.34Å; T201-W203 PolarHBondContact O-N 3.41Å; W203-H206 PolarHBondContact O-N 2.79Å; W203-A207 HydrophobicContact CD2-CB 4.39Å; W203-A207 HydrophobicContact CZ2-CB 4.18Å; W203-A207 WeakPolarHBondContact O-CB 3.45Å; W203-A207 PolarHBondContact O-N 2.75Å
204I93Very high89.9Confident17 Ų1751.4 Ų51.49%0.08726%0.264CS..Hα-helixtrans-61.6-46.2178.8-68170.9000110.5I56 L58 F76 I197 Y200 T201 A207 A208I56-I204 HydrophobicContact CD1-CD1 4.09Å; I56-I204 HydrophobicContact CD1-CG1 4.27Å; L58-I204 HydrophobicContact CD1-CG2 4.32Å; L58-I204 HydrophobicContact CD2-CG2 4.36Å; F76-I204 HydrophobicContact CE1-CD1 3.77Å; F76-I204 HydrophobicContact CZ-CD1 4.37Å; F76-I204 HydrophobicContact CZ-CG2 4.47Å; I197-I204 HydrophobicContact CD1-CD1 4.04Å; I197-I204 HydrophobicContact CG2-CD1 4.25Å; Y200-I204 WeakPolarHBondContact O-CG1 3.31Å; Y200-I204 PolarHBondContact O-N 3.27Å; T201-I204 WeakPolarHBondContact O-CB 3.45Å; T201-I204 PolarHBondContact O-N 2.86Å; T201-I204 VanDerWaalsContact O-N 3.15Å; I204-A207 PolarHBondContact O-N 2.98Å; I204-A208 WeakPolarHBondContact O-CB 3.38Å; I204-A208 PolarHBondContact O-N 3.45Å
205E90.6Very high88.4Confident95 Ų9560.3 Ų60.344%0.44430%0.303SS..Hα-helixtrans-60.8-51.1176.9-71.7174.3164.100111.6T201 A207 A208 D209T201-E205 WeakPolarHBondContact O-CG 3.4Å; T201-E205 PolarHBondContact O-N 3.41Å; E205-A207 PolarHBondContact O-N 2.72Å; E205-A208 WeakPolarHBondContact O-CB 3.36Å; E205-A208 PolarHBondContact O-N 3.36Å; E205-D209 PolarHBondContact O-N 3.13Å
206H92Very high86.9Confident121 Ų12163.4 Ų63.456%0.5632%0.323SS*.Hα-helixtrans-62.4-43.6179.1-179.262.6000112.4K202 W203 A208 D209 V210K202-H206 WeakPolarHBondContact O-CB 3.36Å; K202-H206 PolarHBondContact O-N 3Å; K202-H206 VanDerWaalsContact O-N 3.1Å; W203-H206 PolarHBondContact O-N 2.79Å; H206-A208 VanDerWaalsContact C-N 3.3Å; H206-A208 PolarHBondContact O-N 2.84Å; H206-D209 PolarHBondContact O-N 2.85Å; H206-V210 WeakPolarHBondContact O-CG2 3.19Å; H206-V210 PolarHBondContact O-N 3.41Å
207A92.4Very high85.2Confident3 Ų370.3 Ų70.33%0.02535%0.349CS..Hα-helixtrans-66.8-33.4178.600000112L41 L58 W203 I204 E205 L211L41-A207 HydrophobicContact CD2-CB 3.62Å; L58-A207 HydrophobicContact CD1-CB 3.46Å; L58-A207 VanDerWaalsContact CD1-CB 3.46Å; W203-A207 HydrophobicContact CD2-CB 4.39Å; W203-A207 HydrophobicContact CZ2-CB 4.18Å; W203-A207 WeakPolarHBondContact O-CB 3.45Å; W203-A207 PolarHBondContact O-N 2.75Å; I204-A207 PolarHBondContact O-N 2.98Å; E205-A207 PolarHBondContact O-N 2.72Å; A207-L211 WeakPolarHBondContact O-CB 3.43Å; A207-L211 VanDerWaalsContact O-CG 3.3Å; A207-L211 WeakPolarHBondContact O-CG 3.02Å; A207-L211 PolarHBondContact O-N 3.38Å
208A91Very high83.6Confident13 Ų1375.6 Ų75.611%0.10738%0.375CS..Hα-helixtrans-60.9-47.9170.900000111.4M1 I204 E205 H206 V210 L211 H212M1-A208 HydrophobicContact CE-CB 3.36Å; M1-A208 HydrophobicContact SD-CB 3.75Å; I204-A208 WeakPolarHBondContact O-CB 3.38Å; I204-A208 PolarHBondContact O-N 3.45Å; E205-A208 WeakPolarHBondContact O-CB 3.36Å; E205-A208 PolarHBondContact O-N 3.36Å; H206-A208 VanDerWaalsContact C-N 3.3Å; H206-A208 PolarHBondContact O-N 2.84Å; A208-V210 PolarHBondContact O-N 3.39Å; A208-L211 PolarHBondContact O-N 3.09Å; A208-H212 WeakPolarHBondContact O-CB 3.33Å; A208-H212 PolarHBondContact O-CD2 3.33Å; A208-H212 PolarHBondContact O-N 2.59Å
209D90.4Very high82.5Confident111 Ų11180.5 Ų80.559%0.59439%0.39SS*.Hα-helixtrans-60.4-44.8177.7-69.2-23.7000112.1E205 H206 H212 A213E205-D209 PolarHBondContact O-N 3.13Å; H206-D209 PolarHBondContact O-N 2.85Å; D209-H212 PolarHBondContact O-N 3.34Å; D209-A213 PolarHBondContact O-N 2.96Å
210V88.5Confident81.4Confident56 Ų5687.5 Ų87.534%0.33941%0.412SS..Hα-helixtrans-58.9-50175.8172.20000110.7H206 A208 H212 A213 E214H206-V210 WeakPolarHBondContact O-CG2 3.19Å; H206-V210 PolarHBondContact O-N 3.41Å; A208-V210 PolarHBondContact O-N 3.39Å; V210-H212 PolarHBondContact O-N 3.45Å; V210-A213 PolarHBondContact O-N 3.19Å; V210-E214 PolarHBondContact O-N 3.38Å; V210-E214 VanDerWaalsContact O-N 3.17Å
211L87.9Confident80.8Confident2 Ų288.1 Ų88.11%0.0142%0.417CS..Hα-helixtrans-62.8-31.7178.7-77.2176.4000112.5M1 H39 L41 L58 R60 A207 A208M1-L211 HydrophobicContact SD-CB 4.34Å; M1-L211 HydrophobicContact SD-CD1 4.31Å; H39-L211 HydrophobicContact CB-CD2 3.59Å; L41-L211 HydrophobicContact CB-CD1 4.09Å; L41-L211 HydrophobicContact CB-CD2 4.07Å; L41-L211 HydrophobicContact CB-CG 4.26Å; L41-L211 HydrophobicContact CD2-CD1 4.26Å; L41-L211 HydrophobicContact CD2-CD2 4.39Å; L41-L211 HydrophobicContact CD2-CG 3.97Å; L58-L211 HydrophobicContact CB-CD1 3.8Å; R60-L211 HydrophobicContact CB-CD1 4.45Å; R60-L211 HydrophobicContact CB-CD2 4.4Å; R60-L211 VanDerWaalsContact CD-O 3.27Å; R60-L211 WeakPolarHBondContact CD-O 2.93Å; R60-L211 VanDerWaalsContact CZ-O 3.25Å; R60-L211 PolarHBondContact NE-O 3.22Å; R60-L211 PolarHBondContact NH1-O 3.45Å; A207-L211 WeakPolarHBondContact O-CB 3.43Å; A207-L211 VanDerWaalsContact O-CG 3.3Å; A207-L211 WeakPolarHBondContact O-CG 3.02Å; A207-L211 PolarHBondContact O-N 3.38Å; A208-L211 PolarHBondContact O-N 3.09Å
212H83.3Confident80.5Confident114 Ų11493.8 Ų93.853%0.52845%0.447SS..Hα-helixtrans-71.9-36.1176-83.7-62.6000112.8M1 A208 D209 V210M1-H212 WeakPolarHBondContact CE-NE2 3.49Å; A208-H212 WeakPolarHBondContact O-CB 3.33Å; A208-H212 PolarHBondContact O-CD2 3.33Å; A208-H212 PolarHBondContact O-N 2.59Å; D209-H212 PolarHBondContact O-N 3.34Å; V210-H212 PolarHBondContact O-N 3.45Å
213A82.3Confident79.9Confident87 Ų8794.1 Ų94.172%0.71946%0.456SS*.Hα-helixtrans-72.4-27.117800000113.3D209 V210D209-A213 PolarHBondContact O-N 2.96Å; V210-A213 PolarHBondContact O-N 3.19Å
214E77.1Confident79.1Confident87 Ų8795 Ų9541%0.40748%0.48SS..SBendtrans-66.3144.2177.3-73.8-179.4169.800111.8H39 R60 V210H39-E214 IonicContact CD2-OE2 3.13Å; H39-E214 PolarHBondContact CD2-OE2 3.44Å; H39-E214 IonicContact CG-OE2 3.84Å; H39-E214 IonicContact NE2-OE2 3.03Å; R60-E214 PolarHBondContact NH1-O 3.33Å; R60-E214 PolarHBondContact NH2-O 3.17Å; V210-E214 PolarHBondContact O-N 3.38Å; V210-E214 VanDerWaalsContact O-N 3.17Å
215K64.3Low78.8Confident187 Ų18798 Ų9881%0.81350%0.495SS*.PPolyproline II helixtrans-79.5138.5170.6-71.3-172179.2-176.50109.2H39 Y217H39-K215 PolarHBondContact CE1-O 3.35Å; H39-K215 VanDerWaalsContact CE1-O 3.24Å; H39-K215 PolarHBondContact NE2-O 3.4Å; K215-Y217 PolarHBondContact O-N 3.28Å
216P62.6Low78.6Confident67 Ų6796.4 Ų96.444%0.43549%0.486SS..PPolyproline II helixtrans-46.4125.4171.6-2533.3000110.9M218P216-M218 VanDerWaalsContact C-N 3.25Å; P216-M218 PolarHBondContact O-N 2.87Å
217Y57.6Low78.3Confident161 Ų16191.3 Ų91.363%0.63147%0.465SS*.  trans-69.686.3172.8-169.6-92.2000109K215 R219K215-Y217 PolarHBondContact O-N 3.28Å; Y217-R219 HydrophobicContact CE1-CG 4.45Å
218M58.5Low77.8Confident113 Ų11391.3 Ų91.356%0.55747%0.465SS*.PPolyproline II helixtrans-79.8123.8164.1-81179169.700107.7P216 R220P216-M218 VanDerWaalsContact C-N 3.25Å; P216-M218 PolarHBondContact O-N 2.87Å; M218-R220 PolarHBondContact O-N 3.11Å
219R63.4Low77Confident138 Ų13892.8 Ų92.852%0.52147%0.471SS..PPolyproline II helixtrans-54.5134.1165.1-94.8-163-177.9-162.52.7107.6Y217 A227Y217-R219 HydrophobicContact CE1-CG 4.45Å; R219-A227 WeakPolarHBondContact O-CB 3.18Å
220R69.4Low76.1Confident241 Ų24190.7 Ų90.791%0.90946%0.459SS*.PPolyproline II helixtrans-78.8127.4165.9-75.5-178.4-172.5157.92.4107.8M218M218-R220 PolarHBondContact O-N 3.11Å
221C78.9Confident75.4Confident18 Ų1888.7 Ų88.712%0.12245%0.45CS..PPolyproline II helixtrans-89.5144.2166.5-61.80000108.5M225 A227 C233C221-M225 HydrophobicContact CB-CB 3.68Å; C221-A227 VanDerWaalsContact SG-CA 3.53Å; C221-A227 VanDerWaalsContact SG-CB 3.5Å; C221-C233 HydrophobicContact CB-CB 3.65Å; C221-C233 WeakPolarHBondContact CB-SG 3.17Å; C221-C233 WeakPolarHBondContact SG-CA 3.26Å; C221-C233 WeakPolarHBondContact SG-CB 3.44Å; C221-C233 CovalentContact SG-SG 2.02Å; C221-C233 PolarHBondContact SG-SG 3.37Å
222D83.5Confident75.1Confident132 Ų13293 Ų9371%0.70647%0.473SS*.G310 helixtrans-72.8158.9177.6-66.6-37.7000110.6G224 M225D222-G224 PolarHBondContact O-N 2.79Å; D222-M225 WeakPolarHBondContact O-CB 3.25Å; D222-M225 PolarHBondContact O-N 3.08Å
223N77.5Confident75.3Confident166 Ų16690.6 Ų90.689%0.88847%0.468SS*.G310 helixtrans59.732.5171.3-58.6-26.8000116.5M225N223-M225 PolarHBondContact O-N 2.89Å
224G76.7Confident75.7Confident65 Ų6587.4 Ų87.467%0.6744%0.439SS*.G310 helixtrans73.99.6174.400000114.5D222D222-G224 PolarHBondContact O-N 2.79Å
225M87.1Confident76.3Confident82 Ų8287.3 Ų87.340%0.40444%0.441SS..  trans-61145.5169.8-73.7-179.9148.500111.1C221 D222 N223 C233 I234C221-M225 HydrophobicContact CB-CB 3.68Å; D222-M225 WeakPolarHBondContact O-CB 3.25Å; D222-M225 PolarHBondContact O-N 3.08Å; N223-M225 PolarHBondContact O-N 2.89Å; M225-C233 HydrophobicContact CB-CB 4.38Å; M225-C233 HydrophobicContact SD-CB 4.3Å; M225-I234 CarbonylContact C-O 3.47Å; M225-I234 WeakPolarHBondContact CA-O 3.49Å; M225-I234 VanDerWaalsContact CB-O 3.26Å; M225-I234 WeakPolarHBondContact CB-O 3.17Å
226F87.1Confident77.4Confident60 Ų6081.2 Ų81.226%0.26343%0.426SS..EExtended strand (participates in β ladder)trans-78.4132.6175-179.9-92.1000110.3C233 I234 V239 E250 D251F226-C233 WeakPolarHBondContact O-CA 3.29Å; F226-I234 HydrophobicContact CB-CD1 4.43Å; F226-I234 HydrophobicContact CB-CG1 3.82Å; F226-I234 HydrophobicContact CD1-CD1 3.84Å; F226-I234 HydrophobicContact CD1-CG1 3.86Å; F226-I234 HydrophobicContact CG-CD1 4.5Å; F226-I234 HydrophobicContact CG-CG1 4.3Å; F226-I234 PolarHBondContact N-O 3.08Å; F226-I234 PolarHBondContact O-N 2.91Å; F226-V239 HydrophobicContact CB-CG2 3.33Å; F226-V239 HydrophobicContact CD1-CG2 4.14Å; F226-V239 HydrophobicContact CD2-CG1 4.24Å; F226-V239 HydrophobicContact CD2-CG2 3.7Å; F226-V239 HydrophobicContact CE2-CG1 4.37Å; F226-V239 HydrophobicContact CG-CG2 3.46Å; F226-V239 VanDerWaalsContact CG-CG2 3.46Å; F226-E250 HydrophobicContact CE1-CG 4.11Å; F226-E250 HydrophobicContact CZ-CG 4.37Å; F226-D251 HydrophobicContact CD1-CB 4.39Å; F226-D251 HydrophobicContact CE1-CB 4.06Å
227A85.8Confident78.6Confident15 Ų1582.4 Ų82.412%0.12444%0.435CS..EExtended strand (participates in β ladder)trans-93.6112.6178.700000110.6R219 C221R219-A227 WeakPolarHBondContact O-CB 3.18Å; C221-A227 VanDerWaalsContact SG-CA 3.53Å; C221-A227 VanDerWaalsContact SG-CB 3.5Å
228C81.8Confident80.3Confident2 Ų275.1 Ų75.11%0.01441%0.409CS..  trans-63.6157.1167-58.20000110.6L230 G231 D232 C246 E250C228-L230 VanDerWaalsContact C-N 3.28Å; C228-L230 PolarHBondContact O-N 2.93Å; C228-G231 WeakPolarHBondContact O-CA 3.44Å; C228-G231 PolarHBondContact O-N 3.22Å; C228-D232 HydrophobicContact CB-CB 4.04Å; C228-D232 VanDerWaalsContact CB-O 3.29Å; C228-D232 WeakPolarHBondContact CB-O 3.49Å; C228-D232 PolarHBondContact N-O 3.47Å; C228-C246 VanDerWaalsContact CA-SG 3.53Å; C228-C246 HydrophobicContact CB-CB 3.75Å; C228-C246 WeakPolarHBondContact CB-SG 3.45Å; C228-C246 WeakPolarHBondContact SG-CA 3.43Å; C228-C246 WeakPolarHBondContact SG-CB 3.49Å; C228-C246 CovalentContact SG-SG 2.04Å; C228-C246 PolarHBondContact SG-SG 2.87Å; C228-E250 WeakPolarHBondContact CA-OE1 3.35Å; C228-E250 WeakPolarHBondContact CB-OE1 3.45Å
229L73.4Confident81.8Confident44 Ų4471.7 Ų71.723%0.2339%0.394CS..THydrogen-bonded Turntrans-63.8-30.4-179.2-155.968.7000113.1P36 A62 I63 G231 F248 E250P36-L229 HydrophobicContact CB-CD2 4.42Å; P36-L229 HydrophobicContact CG-CD2 3.88Å; P36-L229 HydrophobicContact CG-CG 4.35Å; A62-L229 HydrophobicContact CB-CD1 3.87Å; A62-L229 HydrophobicContact CB-CD2 3.58Å; A62-L229 HydrophobicContact CB-CG 3.77Å; I63-L229 HydrophobicContact CD1-CD2 3.59Å; I63-L229 HydrophobicContact CG1-CD2 3.33Å; L229-G231 PolarHBondContact O-N 3.13Å; L229-F248 HydrophobicContact CB-CD2 4.41Å; L229-F248 HydrophobicContact CD2-CD2 4.39Å; L229-E250 HydrophobicContact CB-CG 4.38Å; L229-E250 WeakPolarHBondContact CB-OE1 3.08Å; L229-E250 PolarHBondContact N-OE1 2.69Å
230L71.5Confident83.2Confident67 Ų6768.5 Ų68.535%0.35139%0.392SS..THydrogen-bonded Turntrans-80.6-0.5171.2-85.8163.4000113.8C228 A247 F248C228-L230 VanDerWaalsContact C-N 3.28Å; C228-L230 PolarHBondContact O-N 2.93Å; L230-A247 HydrophobicContact CD1-CB 3.73Å; L230-F248 HydrophobicContact CD1-CD2 4.05Å; L230-F248 HydrophobicContact CD1-CE2 3.25Å; L230-F248 HydrophobicContact CD1-CZ 3.92Å; L230-F248 HydrophobicContact CD2-CE2 4.34Å; L230-F248 HydrophobicContact CG-CD2 4.28Å; L230-F248 HydrophobicContact CG-CE2 3.55Å; L230-F248 HydrophobicContact CG-CZ 4.47Å
231G72.8Confident84.3Confident15 Ų1560.5 Ų60.516%0.15537%0.367CS..SBendtrans87.35.8179.100000114.7C228 L229C228-G231 WeakPolarHBondContact O-CA 3.44Å; C228-G231 PolarHBondContact O-N 3.22Å; L229-G231 PolarHBondContact O-N 3.13Å
232D82.7Confident84.8Confident93 Ų9362.7 Ų62.750%0.49739%0.393SS..  trans-67.1146.5166.4-62.1-43.3000109.8C228C228-D232 HydrophobicContact CB-CB 4.04Å; C228-D232 VanDerWaalsContact CB-O 3.29Å; C228-D232 WeakPolarHBondContact CB-O 3.49Å; C228-D232 PolarHBondContact N-O 3.47Å
233C88.2Confident85.2Confident62 Ų6260.4 Ų60.442%0.41938%0.383SS..EExtended strand (participates in β ladder)trans-112.2126.5178.8-62.30000108.6C221 M225 F226C221-C233 HydrophobicContact CB-CB 3.65Å; C221-C233 WeakPolarHBondContact CB-SG 3.17Å; C221-C233 WeakPolarHBondContact SG-CA 3.26Å; C221-C233 WeakPolarHBondContact SG-CB 3.44Å; C221-C233 CovalentContact SG-SG 2.02Å; C221-C233 PolarHBondContact SG-SG 3.37Å; M225-C233 HydrophobicContact CB-CB 4.38Å; M225-C233 HydrophobicContact SD-CB 4.3Å; F226-C233 WeakPolarHBondContact O-CA 3.29Å
234I90Very high85.7Confident21 Ų2159.9 Ų59.911%0.10837%0.369CS..EExtended strand (participates in β ladder)trans-117.3158.2175.666.6173.7000109.6M225 F226 A238 V239 N245 D251M225-I234 CarbonylContact C-O 3.47Å; M225-I234 WeakPolarHBondContact CA-O 3.49Å; M225-I234 VanDerWaalsContact CB-O 3.26Å; M225-I234 WeakPolarHBondContact CB-O 3.17Å; F226-I234 HydrophobicContact CB-CD1 4.43Å; F226-I234 HydrophobicContact CB-CG1 3.82Å; F226-I234 HydrophobicContact CD1-CD1 3.84Å; F226-I234 HydrophobicContact CD1-CG1 3.86Å; F226-I234 HydrophobicContact CG-CD1 4.5Å; F226-I234 HydrophobicContact CG-CG1 4.3Å; F226-I234 PolarHBondContact N-O 3.08Å; F226-I234 PolarHBondContact O-N 2.91Å; I234-A238 HydrophobicContact CB-CB 4.35Å; I234-A238 HydrophobicContact CD1-CB 4.11Å; I234-A238 HydrophobicContact CG1-CB 4.44Å; I234-V239 HydrophobicContact CD1-CG2 4.39Å; I234-N245 HydrophobicContact CD1-CB 3.94Å; I234-N245 HydrophobicContact CG2-CB 4.08Å; I234-D251 HydrophobicContact CD1-CB 3.6Å
235D90.1Very high86.4Confident85 Ų8560.1 Ų60.146%0.45536%0.355SS..  trans-62.6148.7175.9-159.6-75.4000110.8S237 A238D235-S237 PolarHBondContact O-N 3.37Å; D235-S237 PolarHBondContact OD1-N 2.73Å; D235-S237 PolarHBondContact OD1-OG 3.23Å; D235-A238 WeakPolarHBondContact O-CB 3.34Å; D235-A238 PolarHBondContact O-N 3.28Å
236A86.7Confident86.3Confident58 Ų5856.3 Ų56.348%0.47934%0.337SS..G310 helixtrans-59.7-27.417500000112.1A238 V239A236-A238 PolarHBondContact O-N 2.88Å; A236-V239 PolarHBondContact O-N 2.85Å
237S88.9Confident86Confident92 Ų9255.5 Ų55.564%0.64334%0.341SS*.G310 helixtrans-69.1-17.8174.872.10000113.9D235 V239D235-S237 PolarHBondContact O-N 3.37Å; D235-S237 PolarHBondContact OD1-N 2.73Å; D235-S237 PolarHBondContact OD1-OG 3.23Å; S237-V239 VanDerWaalsContact C-N 3.31Å
238A91.4Very high85.4Confident8 Ų856.7 Ų56.77%0.06634%0.343CS..G310 helixtrans-92.810.518000000112.8I234 D235 A236 N245I234-A238 HydrophobicContact CB-CB 4.35Å; I234-A238 HydrophobicContact CD1-CB 4.11Å; I234-A238 HydrophobicContact CG1-CB 4.44Å; D235-A238 WeakPolarHBondContact O-CB 3.34Å; D235-A238 PolarHBondContact O-N 3.28Å; A236-A238 PolarHBondContact O-N 2.88Å; A238-N245 WeakPolarHBondContact CB-ND2 3.13Å
239V91.7Very high85.4Confident41 Ų4157.1 Ų57.125%0.24835%0.348CS..SBendtrans-97.5127.1174.1-173.60000107.8F226 I234 A236 S237 D241 D251F226-V239 HydrophobicContact CB-CG2 3.33Å; F226-V239 HydrophobicContact CD1-CG2 4.14Å; F226-V239 HydrophobicContact CD2-CG1 4.24Å; F226-V239 HydrophobicContact CD2-CG2 3.7Å; F226-V239 HydrophobicContact CE2-CG1 4.37Å; F226-V239 HydrophobicContact CG-CG2 3.46Å; F226-V239 VanDerWaalsContact CG-CG2 3.46Å; I234-V239 HydrophobicContact CD1-CG2 4.39Å; A236-V239 PolarHBondContact O-N 2.85Å; S237-V239 VanDerWaalsContact C-N 3.31Å; V239-D241 VanDerWaalsContact C-N 3.26Å; V239-D241 PolarHBondContact O-N 3.21Å; V239-D251 WeakPolarHBondContact CG1-O 3.5Å
240C92.6Very high85.9Confident71 Ų7156.3 Ų56.348%0.4834%0.343SS..SBendtrans63.825.1-176.6-40.60000114.5G242 D251 E252 C254C240-G242 PolarHBondContact O-N 2.89Å; C240-D251 PolarHBondContact N-O 2.97Å; C240-E252 VanDerWaalsContact CA-OE1 3.3Å; C240-E252 WeakPolarHBondContact CA-OE1 3.41Å; C240-E252 PolarHBondContact N-OE1 3.4Å; C240-C254 WeakPolarHBondContact CA-SG 3.34Å; C240-C254 HydrophobicContact CB-CB 3.9Å; C240-C254 WeakPolarHBondContact CB-SG 3.45Å; C240-C254 WeakPolarHBondContact SG-CB 3.45Å; C240-C254 CovalentContact SG-SG 1.98Å; C240-C254 PolarHBondContact SG-SG 3.35Å
241D91.9Very high86.8Confident74 Ų7453.1 Ų53.140%0.39633%0.326SS..SBendtrans-86.41.3-177.474.9-5.9000112.7V239 V243 E252V239-D241 VanDerWaalsContact C-N 3.26Å; V239-D241 PolarHBondContact O-N 3.21Å; D241-V243 WeakPolarHBondContact OD1-CA 3.46Å; D241-V243 VanDerWaalsContact OD1-CB 3.23Å; D241-V243 WeakPolarHBondContact OD1-CB 3.26Å; D241-V243 PolarHBondContact OD1-N 3.4Å; D241-E252 PolarHBondContact N-OE1 2.93Å
242G89.6Confident87.6Confident64 Ų6455.2 Ų55.266%0.6633%0.332SS*.SBendtrans82.4-1.5-175.700000113.1C240 E252C240-G242 PolarHBondContact O-N 2.89Å; G242-E252 WeakPolarHBondContact CA-OE2 3.42Å; G242-E252 PolarHBondContact N-OE2 2.88Å
243V90.9Very high87.8Confident83 Ų8357 Ų5750%0.50334%0.336SS..SBendtrans-109.2135.6179.1-1710000108.7D241 N245 E252D241-V243 WeakPolarHBondContact OD1-CA 3.46Å; D241-V243 VanDerWaalsContact OD1-CB 3.23Å; D241-V243 WeakPolarHBondContact OD1-CB 3.26Å; D241-V243 PolarHBondContact OD1-N 3.4Å; V243-N245 VanDerWaalsContact C-OD1 3.32Å; V243-N245 WeakPolarHBondContact CB-OD1 3.22Å; V243-N245 VanDerWaalsContact CG1-OD1 3.26Å; V243-N245 WeakPolarHBondContact CG1-OD1 3.3Å; V243-N245 PolarHBondContact O-N 3.33Å; V243-N245 PolarHBondContact O-OD1 3.17Å; V243-N245 VanDerWaalsContact O-OD1 3.11Å; V243-E252 VanDerWaalsContact O-CG 3.22Å; V243-E252 WeakPolarHBondContact O-CG 3.3Å
244R89.6Confident87.4Confident155 Ų15556.4 Ų56.459%0.58533%0.331SS*.  trans-84.695.9177.9-175.9177.8-169.8-100.913.7109.4C246 A247 F248R244-C246 VanDerWaalsContact CG-O 3.3Å; R244-C246 WeakPolarHBondContact CG-O 3.27Å; R244-A247 PolarHBondContact NH1-O 3.01Å; R244-A247 VanDerWaalsContact NH1-O 3.13Å; R244-A247 VanDerWaalsContact NH2-C 3.31Å; R244-A247 PolarHBondContact NH2-O 3.38Å; R244-F248 VanDerWaalsContact NH2-CA 3.32Å
245N89.6Confident86.2Confident71 Ų7164 Ų6438%0.3837%0.366SS..  trans-93.9-34.4179.2-62.536.9000110.6I234 A238 V243 D251I234-N245 HydrophobicContact CD1-CB 3.94Å; I234-N245 HydrophobicContact CG2-CB 4.08Å; A238-N245 WeakPolarHBondContact CB-ND2 3.13Å; V243-N245 VanDerWaalsContact C-OD1 3.32Å; V243-N245 WeakPolarHBondContact CB-OD1 3.22Å; V243-N245 VanDerWaalsContact CG1-OD1 3.26Å; V243-N245 WeakPolarHBondContact CG1-OD1 3.3Å; V243-N245 PolarHBondContact O-N 3.33Å; V243-N245 PolarHBondContact O-OD1 3.17Å; V243-N245 VanDerWaalsContact O-OD1 3.11Å; N245-D251 VanDerWaalsContact CA-OD2 3.23Å; N245-D251 WeakPolarHBondContact CA-OD2 3.49Å; N245-D251 VanDerWaalsContact CB-OD2 3.23Å; N245-D251 WeakPolarHBondContact CB-OD2 3.4Å; N245-D251 PolarHBondContact N-OD2 3.49Å
246C85Confident84.1Confident2 Ų269.4 Ų69.41%0.01439%0.386CS..SBendtrans-81.9141.6170.4-650000112.3C228 R244 F248 G249 E250 D251C228-C246 VanDerWaalsContact CA-SG 3.53Å; C228-C246 HydrophobicContact CB-CB 3.75Å; C228-C246 WeakPolarHBondContact CB-SG 3.45Å; C228-C246 WeakPolarHBondContact SG-CA 3.43Å; C228-C246 WeakPolarHBondContact SG-CB 3.49Å; C228-C246 CovalentContact SG-SG 2.04Å; C228-C246 PolarHBondContact SG-SG 2.87Å; R244-C246 VanDerWaalsContact CG-O 3.3Å; R244-C246 WeakPolarHBondContact CG-O 3.27Å; C246-F248 PolarHBondContact O-N 2.84Å; C246-G249 PolarHBondContact O-N 2.62Å; C246-E250 HydrophobicContact CB-CG 3.91Å; C246-E250 VanDerWaalsContact CB-OE1 3.3Å; C246-E250 WeakPolarHBondContact CB-OE1 3.24Å; C246-E250 VanDerWaalsContact CB-OE2 3.23Å; C246-E250 WeakPolarHBondContact CB-OE2 3.11Å; C246-D251 HydrophobicContact CB-CB 4.22Å; C246-D251 WeakPolarHBondContact CB-OD1 3.25Å; C246-D251 VanDerWaalsContact N-CG 3.35Å; C246-D251 PolarHBondContact N-OD1 3.03Å; C246-D251 PolarHBondContact N-OD2 3.21Å
247A80.9Confident81.8Confident42 Ų4272.8 Ų72.835%0.34740%0.4SS..THydrogen-bonded Turntrans-62.1-13.2-17800000115L230 R244L230-A247 HydrophobicContact CD1-CB 3.73Å; R244-A247 PolarHBondContact NH1-O 3.01Å; R244-A247 VanDerWaalsContact NH1-O 3.13Å; R244-A247 VanDerWaalsContact NH2-C 3.31Å; R244-A247 PolarHBondContact NH2-O 3.38Å
248F74.1Confident79.3Confident40 Ų4074.3 Ų74.318%0.17540%0.401CS..THydrogen-bonded Turntrans-115.95.6171.1-61-75.2000114.6T17 F34 P36 I63 L229 L230 R244 C246 E250T17-F248 HydrophobicContact CG2-CZ 4.36Å; F34-F248 HydrophobicContact CB-CE1 3.99Å; P36-F248 HydrophobicContact CB-CE2 4.39Å; P36-F248 HydrophobicContact CG-CD2 3.59Å; P36-F248 HydrophobicContact CG-CE1 4.19Å; P36-F248 HydrophobicContact CG-CE2 3Å; P36-F248 HydrophobicContact CG-CG 4.37Å; P36-F248 HydrophobicContact CG-CZ 3.37Å; I63-F248 HydrophobicContact CD1-CB 3.71Å; I63-F248 HydrophobicContact CD1-CD1 4.46Å; I63-F248 HydrophobicContact CD1-CG 4.1Å; L229-F248 HydrophobicContact CB-CD2 4.41Å; L229-F248 HydrophobicContact CD2-CD2 4.39Å; L230-F248 HydrophobicContact CD1-CD2 4.05Å; L230-F248 HydrophobicContact CD1-CE2 3.25Å; L230-F248 HydrophobicContact CD1-CZ 3.92Å; L230-F248 HydrophobicContact CD2-CE2 4.34Å; L230-F248 HydrophobicContact CG-CD2 4.28Å; L230-F248 HydrophobicContact CG-CE2 3.55Å; L230-F248 HydrophobicContact CG-CZ 4.47Å; R244-F248 VanDerWaalsContact NH2-CA 3.32Å; C246-F248 PolarHBondContact O-N 2.84Å; F248-E250 VanDerWaalsContact C-N 3.26Å; F248-E250 WeakPolarHBondContact CA-OE2 3.48Å; F248-E250 WeakPolarHBondContact CB-OE2 3.1Å; F248-E250 PolarHBondContact N-OE2 3.2Å; F248-E250 VanDerWaalsContact N-OE2 3.08Å; F248-E250 PolarHBondContact O-N 3.08Å
249G81.7Confident76.4Confident11 Ų1178.9 Ų78.911%0.11343%0.428CS..SBendtrans65.725.9-179.800000114.1C246 D251 E252C246-G249 PolarHBondContact O-N 2.62Å; G249-D251 VanDerWaalsContact C-N 3.32Å; G249-D251 WeakPolarHBondContact CA-OD1 2.85Å; G249-E252 PolarHBondContact O-N 2.88Å
250E84.8Confident73.5Confident28 Ų2886.7 Ų86.713%0.13146%0.459CS..  trans-72.1-25.9176.463-86.2-150.200113.4F226 C228 L229 C246 F248 E252 K253F226-E250 HydrophobicContact CE1-CG 4.11Å; F226-E250 HydrophobicContact CZ-CG 4.37Å; C228-E250 WeakPolarHBondContact CA-OE1 3.35Å; C228-E250 WeakPolarHBondContact CB-OE1 3.45Å; L229-E250 HydrophobicContact CB-CG 4.38Å; L229-E250 WeakPolarHBondContact CB-OE1 3.08Å; L229-E250 PolarHBondContact N-OE1 2.69Å; C246-E250 HydrophobicContact CB-CG 3.91Å; C246-E250 VanDerWaalsContact CB-OE1 3.3Å; C246-E250 WeakPolarHBondContact CB-OE1 3.24Å; C246-E250 VanDerWaalsContact CB-OE2 3.23Å; C246-E250 WeakPolarHBondContact CB-OE2 3.11Å; F248-E250 VanDerWaalsContact C-N 3.26Å; F248-E250 WeakPolarHBondContact CA-OE2 3.48Å; F248-E250 WeakPolarHBondContact CB-OE2 3.1Å; F248-E250 PolarHBondContact N-OE2 3.2Å; F248-E250 VanDerWaalsContact N-OE2 3.08Å; F248-E250 PolarHBondContact O-N 3.08Å; E250-E252 PolarHBondContact O-N 3.18Å; E250-K253 PolarHBondContact O-N 2.78Å
251D88.7Confident70.6Confident0 Ų090.3 Ų90.30%047%0.473CS..THydrogen-bonded Turntrans-60.1-30.9167.452-29.3000112.6F226 I234 V239 C240 N245 C246 G249 C254F226-D251 HydrophobicContact CD1-CB 4.39Å; F226-D251 HydrophobicContact CE1-CB 4.06Å; I234-D251 HydrophobicContact CD1-CB 3.6Å; V239-D251 WeakPolarHBondContact CG1-O 3.5Å; C240-D251 PolarHBondContact N-O 2.97Å; N245-D251 VanDerWaalsContact CA-OD2 3.23Å; N245-D251 WeakPolarHBondContact CA-OD2 3.49Å; N245-D251 VanDerWaalsContact CB-OD2 3.23Å; N245-D251 WeakPolarHBondContact CB-OD2 3.4Å; N245-D251 PolarHBondContact N-OD2 3.49Å; C246-D251 HydrophobicContact CB-CB 4.22Å; C246-D251 WeakPolarHBondContact CB-OD1 3.25Å; C246-D251 VanDerWaalsContact N-CG 3.35Å; C246-D251 PolarHBondContact N-OD1 3.03Å; C246-D251 PolarHBondContact N-OD2 3.21Å; G249-D251 VanDerWaalsContact C-N 3.32Å; G249-D251 WeakPolarHBondContact CA-OD1 2.85Å; D251-C254 PolarHBondContact O-SG 3.3Å; D251-C254 VanDerWaalsContact O-SG 3.4Å
252E90.7Very high67.7Low58 Ų5894.7 Ų94.727%0.27149%0.491SS..THydrogen-bonded Turntrans-95.83.5-179.1-62.8-54.7106.200113.8C240 D241 G242 V243 G249 E250 C254C240-E252 VanDerWaalsContact CA-OE1 3.3Å; C240-E252 WeakPolarHBondContact CA-OE1 3.41Å; C240-E252 PolarHBondContact N-OE1 3.4Å; D241-E252 PolarHBondContact N-OE1 2.93Å; G242-E252 WeakPolarHBondContact CA-OE2 3.42Å; G242-E252 PolarHBondContact N-OE2 2.88Å; V243-E252 VanDerWaalsContact O-CG 3.22Å; V243-E252 WeakPolarHBondContact O-CG 3.3Å; G249-E252 PolarHBondContact O-N 2.88Å; E250-E252 PolarHBondContact O-N 3.18Å; E252-C254 PolarHBondContact O-N 3.34Å
253K86Confident64.9Low132 Ų13295.2 Ų95.257%0.57448%0.481SS*.  trans-87.257.4176.6-73.7-179.2-172.6168.80111.9E250 E255E250-K253 PolarHBondContact O-N 2.78Å; K253-E255 PolarHBondContact O-N 2.74Å
254C80.2Confident61.8Low48 Ų4898 Ų9832%0.32450%0.499SS..  trans-80.3111.8179.9-50.10000107.2C240 D251 E252 K256C240-C254 WeakPolarHBondContact CA-SG 3.34Å; C240-C254 HydrophobicContact CB-CB 3.9Å; C240-C254 WeakPolarHBondContact CB-SG 3.45Å; C240-C254 WeakPolarHBondContact SG-CB 3.45Å; C240-C254 CovalentContact SG-SG 1.98Å; C240-C254 PolarHBondContact SG-SG 3.35Å; D251-C254 PolarHBondContact O-SG 3.3Å; D251-C254 VanDerWaalsContact O-SG 3.4Å; E252-C254 PolarHBondContact O-N 3.34Å; C254-K256 PolarHBondContact O-N 3.33Å
255E64.5Low59Low182 Ų18299 Ų9985%0.8551%0.508SS*.  trans-51.8114.2163.1-106.4-177.7175.600105.1K253 T257K253-E255 PolarHBondContact O-N 2.74Å; E255-T257 PolarHBondContact O-N 3Å; E255-T257 PolarHBondContact O-OG1 3.34Å
256K47.5Very low56Low198 Ų198104.9 Ų104.986%0.86153%0.53SS*.  trans-50.599.2178-74.4-175.9178-175.80106C254 L258C254-K256 PolarHBondContact O-N 3.33Å; K256-L258 PolarHBondContact O-N 3.38Å
257T37.3Very low53.4Low128 Ų128110.6 Ų110.679%0.78556%0.564SS**  trans-65.4101.7166.4-21.70000100.9E255 T259E255-T257 PolarHBondContact O-N 3Å; E255-T257 PolarHBondContact O-OG1 3.34Å; T257-T259 VanDerWaalsContact C-N 3.26Å; T257-T259 PolarHBondContact O-N 3.44Å
258L36.3Very low50.9Low124 Ų124118.2 Ų118.265%0.64959%0.59SS**  trans-42.7107163.4-79.1148.2000104.5K256 K260 V263K256-L258 PolarHBondContact O-N 3.38Å; L258-K260 PolarHBondContact O-N 2.71Å; L258-V263 HydrophobicContact CB-CG2 4.45Å; L258-V263 HydrophobicContact CD1-CG2 4.45Å; L258-V263 HydrophobicContact CD2-CG2 3.77Å; L258-V263 HydrophobicContact CG-CG2 4.45Å
259T30.3Very low48.8Very low104 Ų104126.8 Ų126.864%0.63862%0.621SS**  trans-46.5128.3168.240.40000105.3T257 D261 E262T257-T259 VanDerWaalsContact C-N 3.26Å; T257-T259 PolarHBondContact O-N 3.44Å; T259-D261 PolarHBondContact O-N 3.14Å; T259-E262 PolarHBondContact O-N 3.41Å
260K31.5Very low46.4Very low206 Ų206132.6 Ų132.690%0.89666%0.66SS**THydrogen-bonded Turntrans-60.111.9-170.5-110.2178.4175.6179.30114.9L258L258-K260 PolarHBondContact O-N 2.71Å
261D32.3Very low43.9Very low146 Ų146135.5 Ų135.578%0.78168%0.683SS**THydrogen-bonded Turntrans-121.9-2.3-168.1-62.1-39.8000115.2T259T259-D261 PolarHBondContact O-N 3.14Å
262E29.8Very low41.4Very low166 Ų166144.5 Ų144.578%0.77673%0.725SS**  trans-139.663.9176.4-74.5-168.6151.100113.7T259T259-E262 PolarHBondContact O-N 3.41Å
263V30.4Very low39.1Very low75 Ų75150.3 Ų150.346%0.45576%0.757SS.*  trans-134.872.5160.5-172.10000109.6L258 F265L258-V263 HydrophobicContact CB-CG2 4.45Å; L258-V263 HydrophobicContact CD1-CG2 4.45Å; L258-V263 HydrophobicContact CD2-CG2 3.77Å; L258-V263 HydrophobicContact CG-CG2 4.45Å; V263-F265 VanDerWaalsContact C-N 3.33Å; V263-F265 HydrophobicContact CG1-CD2 2.99Å; V263-F265 HydrophobicContact CG1-CE2 3.19Å; V263-F265 HydrophobicContact CG1-CG 3.94Å; V263-F265 HydrophobicContact CG1-CZ 4.27Å; V263-F265 PolarHBondContact O-N 2.79Å
264T27.7Very low37.1Very low141 Ų141152.1 Ų152.187%0.86580%0.797SS**  trans-82.986.2151.934.50000107.7K266T264-K266 PolarHBondContact O-N 2.63Å
265F30Very low34.9Very low177 Ų177157.4 Ų157.478%0.77682%0.82SS**  trans-63.5100.2165.1-91-71000108.4V263 V267V263-F265 VanDerWaalsContact C-N 3.33Å; V263-F265 HydrophobicContact CG1-CD2 2.99Å; V263-F265 HydrophobicContact CG1-CE2 3.19Å; V263-F265 HydrophobicContact CG1-CG 3.94Å; V263-F265 HydrophobicContact CG1-CZ 4.27Å; V263-F265 PolarHBondContact O-N 2.79Å; F265-V267 VanDerWaalsContact C-N 3.31Å; F265-V267 PolarHBondContact O-N 3.35Å
266K27Very low33.4Very low195 Ų195156.1 Ų156.185%0.84882%0.819SS**  trans-63.197.1157.7-86.7-176.4176.4174.80107.7T264 K268T264-K266 PolarHBondContact O-N 2.63Å; K266-K268 VanDerWaalsContact C-N 3.33Å; K266-K268 PolarHBondContact O-N 2.82Å
267V29.5Very low32.6Very low121 Ų121153.7 Ų153.773%0.73382%0.816SS**  trans-64.596.4162.4178.80000107.2F265 R269F265-V267 VanDerWaalsContact C-N 3.31Å; F265-V267 PolarHBondContact O-N 3.35Å; V267-R269 HydrophobicContact CG1-CG 4.33Å; V267-R269 PolarHBondContact O-N 3.39Å; V267-R269 VanDerWaalsContact O-N 3.13Å
268K29.3Very low32.3Very low202 Ų202155.2 Ų155.288%0.87882%0.818SS**  trans-7199.6160.4-90.5-173.8175-178.10107.2K266 S270K266-K268 VanDerWaalsContact C-N 3.33Å; K266-K268 PolarHBondContact O-N 2.82Å; K268-S270 PolarHBondContact O-N 3.3Å
269R30.5Very low32.1Very low221 Ų221157.2 Ų157.283%0.83483%0.829SS**  trans-64.8113.3159.3-80.2-177.5176.1180-1.2107.5V267 S271V267-R269 HydrophobicContact CG1-CG 4.33Å; V267-R269 PolarHBondContact O-N 3.39Å; V267-R269 VanDerWaalsContact O-N 3.13Å; R269-S271 PolarHBondContact O-N 3Å
270S29.7Very low32.2Very low133 Ų133160.7 Ų160.793%0.9384%0.841SS**  trans-81.294.1161.7-157.70000106.8K268K268-S270 PolarHBondContact O-N 3.3Å
271S32.7Very low32.2Very low88 Ų88157.5 Ų157.562%0.61584%0.838SS**  trans-122121.416851.30000108.2R269R269-S271 PolarHBondContact O-N 3Å
272Q36.9Very low32.2Very low190 Ų190158.4 Ų158.489%0.88884%0.842SS**  trans77.195.3163.2-61.1177.7-23.100116.7
273L42.9Very low32.4Very low180 Ų180157.8 Ų157.894%0.94285%0.847SS**  trans-67.3131.2139.6-88.8147.5000107.4
274A42.6Very low32.6Very low170 Ų170165.3 Ų165.3100%1.40588%0.883SS**  trans-62.8016900000112.3

Retrieved 274 of 274 residues in 64.8 ms (Link to these results)

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