A0A077Z1U6_TRITR Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z1U6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 398 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
1M40.7Very low74.9Confident201 Ų20169.8 Ų69.899%0.9943%0.426SS*.  0131.30-70.8178.7-174.300107A3M1-A3 PolarHBondContact O-N 3.36Å; M1-A3 VanDerWaalsContact O-N 3.14Å
2N47.3Very low75.3Confident111 Ų11172.9 Ų72.959%0.59445%0.453SS*.  trans-57.4120.8163.9-102.96.7000106.6D4 I5N2-D4 PolarHBondContact O-N 3Å; N2-I5 HydrophobicContact CB-CD1 4.5Å; N2-I5 PolarHBondContact O-N 3.43Å
3A52Low76.2Confident75 Ų7575.9 Ų75.962%0.6246%0.464SS*.THydrogen-bonded Turntrans-57.8-20.5-173.500000112.7M1 R66M1-A3 PolarHBondContact O-N 3.36Å; M1-A3 VanDerWaalsContact O-N 3.14Å; A3-R66 PolarHBondContact O-NH1 3.21Å
4D72Confident77.2Confident74 Ų7472 Ų7240%0.39644%0.438SS..THydrogen-bonded Turntrans-93.13.4-167.9-54.2-36.5000115.9N2N2-D4 PolarHBondContact O-N 3Å
5I82.8Confident78.1Confident30 Ų3068.9 Ų68.915%0.15442%0.421CS..EExtended strand (participates in β ladder)trans-106.4115.8177.3-54.8176.9000109.1N2 I19 F44 R66 Y240N2-I5 HydrophobicContact CB-CD1 4.5Å; N2-I5 PolarHBondContact O-N 3.43Å; I5-I19 HydrophobicContact CB-CD1 4.34Å; I5-I19 HydrophobicContact CD1-CD1 3.96Å; I5-I19 HydrophobicContact CG1-CD1 3.76Å; I5-I19 HydrophobicContact CG2-CD1 3.82Å; I5-F44 HydrophobicContact CD1-CZ 4.23Å; I5-R66 PolarHBondContact O-NH1 3.5Å; I5-R66 PolarHBondContact O-NH2 3.19Å; I5-Y240 HydrophobicContact CD1-CE1 4.47Å
6V89.8Confident79.1Confident2 Ų264.9 Ų64.91%0.01240%0.396CS..EExtended strand (participates in β ladder)trans-109148.6168.6-63.40000109.1F18 W64 R66 Y68V6-F18 HydrophobicContact CG2-CB 3.77Å; V6-F18 HydrophobicContact CG2-CG 4.46Å; V6-F18 PolarHBondContact N-O 3.47Å; V6-F18 WeakPolarHBondContact O-CA 3.47Å; V6-F18 PolarHBondContact O-N 3.14Å; V6-W64 WeakPolarHBondContact CB-O 3.46Å; V6-R66 HydrophobicContact CG1-CB 4.48Å; V6-R66 HydrophobicContact CG1-CG 4.15Å; V6-Y68 HydrophobicContact CG1-CD2 4.09Å; V6-Y68 HydrophobicContact CG1-CE2 3.91Å
7G91Very high79.9Confident28 Ų2861.9 Ų61.929%0.28938%0.378SS..EExtended strand (participates in β ladder)trans172.6176.2-172.900000113.2L16 W64G7-L16 CarbonylContact C-O 3.52Å; G7-L16 WeakPolarHBondContact CA-O 3.28Å; G7-W64 WeakPolarHBondContact O-CB 3.26Å
8Y90.7Very high80.7Confident24 Ų2458.4 Ų58.49%0.09436%0.357CS..EExtended strand (participates in β ladder)trans-146.7158.5-178.657.5-93.8000111.1L10 L16 F18 F58 P59 W64Y8-L10 HydrophobicContact CD2-CD2 4.29Å; Y8-L10 HydrophobicContact CE2-CD2 3.63Å; Y8-L10 HydrophobicContact CE2-CG 4.38Å; Y8-L16 HydrophobicContact CE1-CB 4.45Å; Y8-L16 HydrophobicContact CE1-CD2 3.85Å; Y8-L16 HydrophobicContact CE2-CB 4.23Å; Y8-L16 HydrophobicContact CE2-CD2 4.25Å; Y8-L16 VanDerWaalsContact CZ-CD2 3.49Å; Y8-L16 PolarHBondContact N-O 3.32Å; Y8-L16 PolarHBondContact O-N 3.22Å; Y8-L16 WeakPolarHBondContact OH-CD2 3.22Å; Y8-F18 HydrophobicContact CD1-CE2 4.24Å; Y8-F18 AromaticContact CE1-CE2 3.77Å; Y8-F18 HydrophobicContact CE1-CE2 3.77Å; Y8-F18 HydrophobicContact CE1-CZ 4.26Å; Y8-F58 HydrophobicContact CE1-CD1 4.08Å; Y8-F58 VanDerWaalsContact OH-CD1 3.28Å; Y8-F58 WeakPolarHBondContact OH-CD1 3.41Å; Y8-P59 HydrophobicContact CD1-CG 4.1Å; Y8-P59 HydrophobicContact CD2-CG 3.49Å; Y8-P59 VanDerWaalsContact CD2-CG 3.49Å; Y8-P59 HydrophobicContact CE1-CG 4.36Å; Y8-P59 HydrophobicContact CE2-CG 3.8Å; Y8-P59 HydrophobicContact CG-CG 3.65Å; Y8-W64 HydrophobicContact CD1-CB 4.47Å; Y8-W64 AromaticContact CD1-CD2 3.63Å; Y8-W64 HydrophobicContact CD1-CD2 3.63Å; Y8-W64 AromaticContact CD1-CE2 3.88Å; Y8-W64 AromaticContact CD1-CE3 3.87Å; Y8-W64 HydrophobicContact CD1-CE3 3.87Å; Y8-W64 AromaticContact CD1-CG 3.9Å; Y8-W64 HydrophobicContact CD1-CG 3.9Å; Y8-W64 HydrophobicContact CD1-CZ2 4.35Å; Y8-W64 HydrophobicContact CD1-CZ3 4.31Å; Y8-W64 HydrophobicContact CE1-CD2 4.15Å; Y8-W64 HydrophobicContact CE1-CE3 4.27Å; Y8-W64 HydrophobicContact CE1-CH2 4.14Å; Y8-W64 HydrophobicContact CE1-CZ2 4.04Å; Y8-W64 HydrophobicContact CE1-CZ3 4.26Å; Y8-W64 HydrophobicContact CG-CG 4.49Å
9A89.3Confident81.4Confident79 Ų7955.4 Ų55.465%0.65334%0.338SS*.EExtended strand (participates in β ladder)trans-77.8137.4173.600000110.3
10L87.4Confident81.9Confident36 Ų3653.5 Ų53.519%0.18833%0.327CS..EExtended strand (participates in β ladder)trans-94.4160.5170.2-68.7171000109.6Y8 E14 L16 R201Y8-L10 HydrophobicContact CD2-CD2 4.29Å; Y8-L10 HydrophobicContact CE2-CD2 3.63Å; Y8-L10 HydrophobicContact CE2-CG 4.38Å; L10-E14 HydrophobicContact CB-CB 4.02Å; L10-E14 HydrophobicContact CD1-CB 4.31Å; L10-E14 PolarHBondContact N-O 2.87Å; L10-L16 HydrophobicContact CD1-CB 4.17Å; L10-L16 HydrophobicContact CG-CB 4.29Å; L10-R201 HydrophobicContact CD1-CG 4.28Å
11P80.5Confident82.3Confident108 Ų10851.4 Ų51.470%0.70132%0.315SS*.THydrogen-bonded Turntrans-53.3150.8164.5-22.433.9000110.7
12S80.7Confident84.6Confident107 Ų10747.6 Ų47.675%0.74830%0.299SS*.THydrogen-bonded Turntrans77.230.9177.7-38.20000116.9E14S12-E14 PolarHBondContact O-N 3.34Å
13N86.4Confident86.5Confident112 Ų11245.1 Ų45.160%0.59929%0.285SS*.THydrogen-bonded Turntrans62.428.4176.6-164.849.2000113.9A204N13-A204 PolarHBondContact O-N 3.01Å; N13-A204 WeakPolarHBondContact OD1-CB 3.33Å
14E89.8Confident88.1Confident21 Ų2142.5 Ų42.510%0.09826%0.261CS..EExtended strand (participates in β ladder)trans-105.6163.5174-69.5-174.9132.300111L10 S12 R201 H202 Y203L10-E14 HydrophobicContact CB-CB 4.02Å; L10-E14 HydrophobicContact CD1-CB 4.31Å; L10-E14 PolarHBondContact N-O 2.87Å; S12-E14 PolarHBondContact O-N 3.34Å; E14-R201 IonicContact OE1-CZ 3.02Å; E14-R201 IonicContact OE1-NE 3.29Å; E14-R201 PolarHBondContact OE1-NE 3.32Å; E14-R201 IonicContact OE1-NH2 3.93Å; E14-R201 IonicContact OE2-CZ 2.77Å; E14-R201 IonicContact OE2-NE 2.73Å; E14-R201 PolarHBondContact OE2-NE 2.87Å; E14-R201 IonicContact OE2-NH2 3.61Å; E14-R201 PolarHBondContact OE2-NH2 2.89Å; E14-H202 CarbonylContact C-O 3.29Å; E14-H202 VanDerWaalsContact CA-O 3.31Å; E14-H202 WeakPolarHBondContact CA-O 3.33Å; E14-Y203 HydrophobicContact CG-CD1 3.99Å; E14-Y203 HydrophobicContact CG-CE1 4.06Å
15C91.7Very high88.1Confident26 Ų2644.4 Ų44.418%0.17629%0.287CS..EExtended strand (participates in β ladder)trans-133.9147.6177.6-63.60000109.5R201 H202C15-R201 WeakPolarHBondContact O-CA 3.15Å; C15-H202 VanDerWaalsContact CB-CE1 3.46Å; C15-H202 WeakPolarHBondContact CB-CE1 3.33Å; C15-H202 PolarHBondContact N-O 2.6Å; C15-H202 PolarHBondContact O-N 2.84Å
16L93.1Very high87.5Confident4 Ų445 Ų452%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-113.1111.6168.6-167.972.8000108.8G7 Y8 L10 F18 A50 F52 A199 C200 R201G7-L16 CarbonylContact C-O 3.52Å; G7-L16 WeakPolarHBondContact CA-O 3.28Å; Y8-L16 HydrophobicContact CE1-CB 4.45Å; Y8-L16 HydrophobicContact CE1-CD2 3.85Å; Y8-L16 HydrophobicContact CE2-CB 4.23Å; Y8-L16 HydrophobicContact CE2-CD2 4.25Å; Y8-L16 VanDerWaalsContact CZ-CD2 3.49Å; Y8-L16 PolarHBondContact N-O 3.32Å; Y8-L16 PolarHBondContact O-N 3.22Å; Y8-L16 WeakPolarHBondContact OH-CD2 3.22Å; L10-L16 HydrophobicContact CD1-CB 4.17Å; L10-L16 HydrophobicContact CG-CB 4.29Å; L16-F18 HydrophobicContact CD2-CE2 3.83Å; L16-F18 HydrophobicContact CD2-CZ 3.65Å; L16-F18 HydrophobicContact CG-CE2 4.12Å; L16-F18 HydrophobicContact CG-CZ 4.27Å; L16-A50 HydrophobicContact CD1-CB 3.4Å; L16-A50 VanDerWaalsContact CD1-CB 3.4Å; L16-F52 HydrophobicContact CD1-CZ 4.35Å; L16-F52 HydrophobicContact CD2-CE1 3.87Å; L16-F52 HydrophobicContact CD2-CZ 3.91Å; L16-A199 HydrophobicContact CD1-CB 4.01Å; L16-A199 HydrophobicContact CG-CB 4.28Å; L16-C200 WeakPolarHBondContact CA-O 3.36Å; L16-R201 HydrophobicContact CD1-CB 4.32Å
17S93.9Very high86.3Confident14 Ų1450 Ų5010%0.09832%0.319CS..EExtended strand (participates in β ladder)trans-110.8118.8-178.2-68.60000110.5A199 C200 H202S17-A199 CarbonylContact O-C 3.54Å; S17-A199 VanDerWaalsContact O-CA 3.29Å; S17-A199 WeakPolarHBondContact O-CA 3.26Å; S17-C200 PolarHBondContact N-O 2.82Å; S17-C200 PolarHBondContact O-N 3.45Å; S17-H202 PolarHBondContact OG-NE2 2.65Å
18F94.3Very high85Confident0 Ų050.6 Ų50.60%032%0.324CS..EExtended strand (participates in β ladder)trans-86.5123.8172-59.2-97.3000109.6V6 Y8 L16 F52 F58 W64 I71 V73 I176 F198 A199V6-F18 HydrophobicContact CG2-CB 3.77Å; V6-F18 HydrophobicContact CG2-CG 4.46Å; V6-F18 PolarHBondContact N-O 3.47Å; V6-F18 WeakPolarHBondContact O-CA 3.47Å; V6-F18 PolarHBondContact O-N 3.14Å; Y8-F18 HydrophobicContact CD1-CE2 4.24Å; Y8-F18 AromaticContact CE1-CE2 3.77Å; Y8-F18 HydrophobicContact CE1-CE2 3.77Å; Y8-F18 HydrophobicContact CE1-CZ 4.26Å; L16-F18 HydrophobicContact CD2-CE2 3.83Å; L16-F18 HydrophobicContact CD2-CZ 3.65Å; L16-F18 HydrophobicContact CG-CE2 4.12Å; L16-F18 HydrophobicContact CG-CZ 4.27Å; F18-F52 AromaticContact CE1-CZ 3.82Å; F18-F52 HydrophobicContact CE1-CZ 3.82Å; F18-F52 HydrophobicContact CZ-CE1 4.45Å; F18-F52 HydrophobicContact CZ-CZ 4.05Å; F18-F58 HydrophobicContact CZ-CE1 4.2Å; F18-W64 HydrophobicContact CD2-CE3 4.27Å; F18-W64 AromaticContact CD2-CZ3 3.68Å; F18-W64 HydrophobicContact CD2-CZ3 3.68Å; F18-W64 HydrophobicContact CE2-CE3 4.08Å; F18-W64 AromaticContact CE2-CH2 3.87Å; F18-W64 HydrophobicContact CE2-CH2 3.87Å; F18-W64 AromaticContact CE2-CZ3 3.35Å; F18-W64 HydrophobicContact CE2-CZ3 3.35Å; F18-W64 HydrophobicContact CG-CZ3 4.49Å; F18-W64 AromaticContact CZ-CH2 4Å; F18-W64 HydrophobicContact CZ-CH2 4Å; F18-W64 AromaticContact CZ-CZ3 3.91Å; F18-W64 HydrophobicContact CZ-CZ3 3.91Å; F18-I71 HydrophobicContact CD1-CD1 3.81Å; F18-I71 HydrophobicContact CE1-CD1 4.16Å; F18-I71 HydrophobicContact CG-CD1 4.1Å; F18-V73 HydrophobicContact CD1-CG1 3.87Å; F18-V73 HydrophobicContact CD1-CG2 3.8Å; F18-V73 HydrophobicContact CE1-CG1 3.93Å; F18-V73 HydrophobicContact CE1-CG2 3.91Å; F18-I176 HydrophobicContact CE1-CD1 3.8Å; F18-I176 HydrophobicContact CZ-CD1 4.04Å; F18-F198 CarbonylContact C-O 3.59Å; F18-F198 WeakPolarHBondContact CA-O 3.31Å; F18-A199 HydrophobicContact CD1-CB 3.83Å; F18-A199 HydrophobicContact CE1-CB 3.88Å; F18-A199 HydrophobicContact CG-CB 4.35Å; F18-A199 HydrophobicContact CZ-CB 4.42Å
19I93.3Very high83.8Confident0 Ų052.8 Ų52.80%034%0.343CS..EExtended strand (participates in β ladder)trans-114.7128.8-173.4-48.2-57.7000108.1I5 V21 N23 F39 F44 H197 F198I5-I19 HydrophobicContact CB-CD1 4.34Å; I5-I19 HydrophobicContact CD1-CD1 3.96Å; I5-I19 HydrophobicContact CG1-CD1 3.76Å; I5-I19 HydrophobicContact CG2-CD1 3.82Å; I19-V21 PolarHBondContact O-N 2.78Å; I19-N23 HydrophobicContact CG2-CB 3.99Å; I19-F39 HydrophobicContact CB-CE1 4.37Å; I19-F39 HydrophobicContact CD1-CE1 4.49Å; I19-F39 HydrophobicContact CG1-CE1 4.07Å; I19-F39 HydrophobicContact CG2-CD1 4.44Å; I19-F39 HydrophobicContact CG2-CE1 3.62Å; I19-F39 HydrophobicContact CG2-CZ 3.79Å; I19-F44 HydrophobicContact CD1-CE2 3.96Å; I19-F44 HydrophobicContact CD1-CZ 3.74Å; I19-F44 HydrophobicContact CG1-CE2 4.36Å; I19-H197 CarbonylContact O-C 3.58Å; I19-H197 WeakPolarHBondContact O-CA 3.32Å; I19-H197 WeakPolarHBondContact O-CB 3.03Å; I19-F198 HydrophobicContact CB-CD1 4.24Å; I19-F198 HydrophobicContact CB-CD2 4.43Å; I19-F198 HydrophobicContact CB-CE1 3.74Å; I19-F198 HydrophobicContact CB-CE2 3.98Å; I19-F198 HydrophobicContact CB-CZ 3.62Å; I19-F198 HydrophobicContact CG1-CE2 4.12Å; I19-F198 HydrophobicContact CG1-CZ 4.17Å; I19-F198 HydrophobicContact CG2-CE1 3.77Å; I19-F198 HydrophobicContact CG2-CE2 4.43Å; I19-F198 HydrophobicContact CG2-CZ 3.64Å; I19-F198 PolarHBondContact N-O 2.87Å; I19-F198 WeakPolarHBondContact O-CD1 3.12Å; I19-F198 PolarHBondContact O-N 3Å
20S92.3Very high82.9Confident17 Ų1749.5 Ų49.512%0.11932%0.317CS..EExtended strand (participates in β ladder)trans-59.1133.7170.31740000110.5N22 N23S20-N22 PolarHBondContact O-N 3.35Å; S20-N22 VanDerWaalsContact O-N 3.09Å; S20-N22 PolarHBondContact OG-N 3.19Å; S20-N23 WeakPolarHBondContact O-CB 3.43Å; S20-N23 PolarHBondContact O-N 3.02Å; S20-N23 PolarHBondContact O-ND2 3.15Å
21V90.2Very high82.6Confident11 Ų1151.7 Ų51.77%0.06733%0.329CS..G310 helixtrans-60.4-19175.3-660000112.9I19 N23 V24 K27 Y36 S196 F198I19-V21 PolarHBondContact O-N 2.78Å; V21-N23 PolarHBondContact O-N 3.06Å; V21-V24 PolarHBondContact O-N 2.73Å; V21-V24 VanDerWaalsContact O-N 3.15Å; V21-K27 VanDerWaalsContact C-CE 3.49Å; V21-K27 HydrophobicContact CG2-CD 4.44Å; V21-K27 WeakPolarHBondContact O-CE 3.35Å; V21-Y36 HydrophobicContact CG1-CE1 4.43Å; V21-S196 WeakPolarHBondContact CG2-O 3.36Å; V21-S196 PolarHBondContact N-O 3.23Å; V21-F198 HydrophobicContact CG1-CD1 4.15Å
22N88.8Confident82.9Confident121 Ų12146.6 Ų46.665%0.64730%0.295SS*.G310 helixtrans-64.4-18.6175.2-64.4-12.5000112.9S20 V24 K27S20-N22 PolarHBondContact O-N 3.35Å; S20-N22 VanDerWaalsContact O-N 3.09Å; S20-N22 PolarHBondContact OG-N 3.19Å; N22-V24 PolarHBondContact O-N 2.98Å; N22-K27 PolarHBondContact OD1-NZ 3.38Å
23N86.3Confident83.3Confident59 Ų5941.5 Ų41.532%0.31626%0.26SS..G310 helixtrans-75.6-2.7175.8-67.4-51.3000113.5I19 S20 V21 F39I19-N23 HydrophobicContact CG2-CB 3.99Å; S20-N23 WeakPolarHBondContact O-CB 3.43Å; S20-N23 PolarHBondContact O-N 3.02Å; S20-N23 PolarHBondContact O-ND2 3.15Å; V21-N23 PolarHBondContact O-N 3.06Å; N23-F39 HydrophobicContact CB-CE2 4.03Å; N23-F39 HydrophobicContact CB-CZ 4.09Å
24V86Confident83.5Confident19 Ų1939.6 Ų39.612%0.11525%0.247CC..SBendtrans-124.5131.4-178.3-165.10000109.6V21 N22 I35 Y36 F39 F198V21-V24 PolarHBondContact O-N 2.73Å; V21-V24 VanDerWaalsContact O-N 3.15Å; N22-V24 PolarHBondContact O-N 2.98Å; V24-I35 HydrophobicContact CB-CG2 4.47Å; V24-I35 HydrophobicContact CG1-CG2 3.29Å; V24-Y36 HydrophobicContact CG2-CD1 4.28Å; V24-Y36 HydrophobicContact CG2-CE1 4.49Å; V24-F39 HydrophobicContact CG2-CB 4.29Å; V24-F39 HydrophobicContact CG2-CD2 3.73Å; V24-F39 HydrophobicContact CG2-CE2 4.25Å; V24-F39 HydrophobicContact CG2-CG 4.05Å; V24-F198 HydrophobicContact CG2-CE1 3.72Å; V24-F198 HydrophobicContact CG2-CZ 3.81Å
25A72.4Confident83.5Confident114 Ų11440 Ų4094%0.94225%0.25SS*.SBendtrans-71-34.3-172.800000113.3
26A69Low83.5Confident43 Ų4339 Ų3936%0.35524%0.243SC..  trans-94.5124-179.700000111I35A26-I35 HydrophobicContact CB-CD1 3.65Å; A26-I35 HydrophobicContact CB-CG1 4.3Å; A26-I35 HydrophobicContact CB-CG2 4.38Å
27K65.4Low83.5Confident108 Ų10839.1 Ų39.147%0.4724%0.243SC..  trans-132.4139.4176.2-66.6179.5-178.6174.10110.6V21 N22 S29V21-K27 VanDerWaalsContact C-CE 3.49Å; V21-K27 HydrophobicContact CG2-CD 4.44Å; V21-K27 WeakPolarHBondContact O-CE 3.35Å; N22-K27 PolarHBondContact OD1-NZ 3.38Å; K27-S29 PolarHBondContact O-N 2.84Å
28G63Low83.3Confident39 Ų3940.3 Ų40.340%0.40225%0.249SC..SBendtrans74.118.517000000115.2G30 E32G28-G30 VanDerWaalsContact C-N 3.34Å; G28-E32 WeakPolarHBondContact CA-OE1 3.08Å; G28-E32 PolarHBondContact N-OE1 3.17Å
29S67Low83.2Confident71 Ų7141.9 Ų41.950%0.49726%0.255SS..SBendtrans-79.6-12.7-179.865.40000114K27 D31 E32 I35K27-S29 PolarHBondContact O-N 2.84Å; S29-D31 VanDerWaalsContact C-N 3.31Å; S29-D31 PolarHBondContact OG-N 3.36Å; S29-E32 PolarHBondContact N-OE1 3.48Å; S29-E32 VanDerWaalsContact N-OE1 3.13Å; S29-I35 VanDerWaalsContact OG-CD1 3.24Å; S29-I35 WeakPolarHBondContact OG-CD1 2.89Å
30G69Low83.1Confident9 Ų941.9 Ų41.99%0.09326%0.255CS..SBendtrans90.8-16.6-169.800000114.3G28 E32 Q78 P169G28-G30 VanDerWaalsContact C-N 3.34Å; G30-E32 VanDerWaalsContact C-N 3.34Å; G30-E32 WeakPolarHBondContact CA-OE2 3.14Å; G30-E32 PolarHBondContact N-OE1 2.89Å; G30-E32 PolarHBondContact N-OE2 3.25Å; G30-Q78 PolarHBondContact O-NE2 3.14Å; G30-Q78 VanDerWaalsContact O-NE2 3.07Å; G30-P169 VanDerWaalsContact O-CG 3.24Å; G30-P169 WeakPolarHBondContact O-CG 3.23Å
31D81.5Confident83Confident82 Ų8241.4 Ų41.444%0.43925%0.252SS..  trans-97.627.9177.3-69.2-40.4000112.3S29 L33 E34 I35S29-D31 VanDerWaalsContact C-N 3.31Å; S29-D31 PolarHBondContact OG-N 3.36Å; D31-L33 PolarHBondContact O-N 2.94Å; D31-L33 VanDerWaalsContact O-N 3.16Å; D31-E34 PolarHBondContact O-N 3.16Å; D31-I35 HydrophobicContact CB-CD1 4.37Å; D31-I35 WeakPolarHBondContact O-CG1 3.36Å; D31-I35 PolarHBondContact O-N 2.02Å
32E86.8Confident82.8Confident1 Ų143.3 Ų43.31%0.00526%0.264CS..Hα-helixtrans-60.5-33.2-172.3-64.587.1-174.700112.6G28 S29 G30 E34 Y36 C190 W195G28-E32 WeakPolarHBondContact CA-OE1 3.08Å; G28-E32 PolarHBondContact N-OE1 3.17Å; S29-E32 PolarHBondContact N-OE1 3.48Å; S29-E32 VanDerWaalsContact N-OE1 3.13Å; G30-E32 VanDerWaalsContact C-N 3.34Å; G30-E32 WeakPolarHBondContact CA-OE2 3.14Å; G30-E32 PolarHBondContact N-OE1 2.89Å; G30-E32 PolarHBondContact N-OE2 3.25Å; E32-E34 VanDerWaalsContact C-N 3.31Å; E32-E34 PolarHBondContact O-N 3.04Å; E32-Y36 HydrophobicContact CB-CD2 4.09Å; E32-Y36 HydrophobicContact CB-CE2 3.64Å; E32-Y36 HydrophobicContact CG-CE2 4.33Å; E32-Y36 VanDerWaalsContact O-CB 3.23Å; E32-Y36 WeakPolarHBondContact O-CB 3.32Å; E32-Y36 WeakPolarHBondContact O-CD2 3.11Å; E32-Y36 PolarHBondContact O-N 3.19Å; E32-C190 WeakPolarHBondContact OE2-CB 3.41Å; E32-W195 HydrophobicContact CB-CZ2 3.9Å; E32-W195 HydrophobicContact CG-CZ2 3.82Å
33L90.2Very high82.7Confident0 Ų043.8 Ų43.80%026%0.257CS..Hα-helixtrans-58.1-45.5174.1-177.562.4000111.8D31 N37 V49 Y74 Q78 R112 A114 L119D31-L33 PolarHBondContact O-N 2.94Å; D31-L33 VanDerWaalsContact O-N 3.16Å; L33-N37 WeakPolarHBondContact O-CB 3.43Å; L33-N37 PolarHBondContact O-N 2.81Å; L33-V49 HydrophobicContact CD1-CB 4.37Å; L33-V49 HydrophobicContact CD1-CG1 4.2Å; L33-Y74 HydrophobicContact CD1-CE1 4.24Å; L33-Q78 HydrophobicContact CB-CG 4.04Å; L33-Q78 HydrophobicContact CD2-CG 4.26Å; L33-R112 HydrophobicContact CD2-CB 4.07Å; L33-R112 HydrophobicContact CD2-CG 3.65Å; L33-A114 HydrophobicContact CD1-CB 3.99Å; L33-L119 HydrophobicContact CD2-CD2 4.28Å; L33-L119 HydrophobicContact CG-CD2 4.09Å
34E88.9Confident82.9Confident72 Ų7241.1 Ų41.134%0.33624%0.242SC..Hα-helixtrans-72.6-44.7-178-177.4161.7171.300111.6D31 E32 Y36 N37 N38 R112 L119D31-E34 PolarHBondContact O-N 3.16Å; E32-E34 VanDerWaalsContact C-N 3.31Å; E32-E34 PolarHBondContact O-N 3.04Å; E34-Y36 PolarHBondContact O-N 3.26Å; E34-N37 PolarHBondContact O-N 3.1Å; E34-N38 WeakPolarHBondContact O-CB 2.94Å; E34-N38 VanDerWaalsContact O-CG 3.23Å; E34-N38 PolarHBondContact O-N 2.59Å; E34-N38 PolarHBondContact O-ND2 2.93Å; E34-R112 IonicContact OE2-NH2 3.36Å; E34-R112 PolarHBondContact OE2-NH2 2.79Å; E34-L119 HydrophobicContact CB-CD1 3.95Å; E34-L119 HydrophobicContact CG-CD1 4.04Å
35I89.8Confident82.9Confident31 Ų3141.2 Ų41.216%0.15924%0.241CC..Hα-helixtrans-56.7-50.6176.2-71.4164.1000110.7V24 A26 S29 D31 F39V24-I35 HydrophobicContact CB-CG2 4.47Å; V24-I35 HydrophobicContact CG1-CG2 3.29Å; A26-I35 HydrophobicContact CB-CD1 3.65Å; A26-I35 HydrophobicContact CB-CG1 4.3Å; A26-I35 HydrophobicContact CB-CG2 4.38Å; S29-I35 VanDerWaalsContact OG-CD1 3.24Å; S29-I35 WeakPolarHBondContact OG-CD1 2.89Å; D31-I35 HydrophobicContact CB-CD1 4.37Å; D31-I35 WeakPolarHBondContact O-CG1 3.36Å; D31-I35 PolarHBondContact O-N 2.02Å; I35-F39 PolarHBondContact O-N 3.16Å; I35-F39 VanDerWaalsContact O-N 3.08Å
36Y92.6Very high83.6Confident5 Ų536.2 Ų36.22%0.0220%0.2CC..Hα-helixtrans-71-34.5-179.9-60.7-22.8000111.9V21 V24 E32 E34 F39 C40 Y74 W195 F198V21-Y36 HydrophobicContact CG1-CE1 4.43Å; V24-Y36 HydrophobicContact CG2-CD1 4.28Å; V24-Y36 HydrophobicContact CG2-CE1 4.49Å; E32-Y36 HydrophobicContact CB-CD2 4.09Å; E32-Y36 HydrophobicContact CB-CE2 3.64Å; E32-Y36 HydrophobicContact CG-CE2 4.33Å; E32-Y36 VanDerWaalsContact O-CB 3.23Å; E32-Y36 WeakPolarHBondContact O-CB 3.32Å; E32-Y36 WeakPolarHBondContact O-CD2 3.11Å; E32-Y36 PolarHBondContact O-N 3.19Å; E34-Y36 PolarHBondContact O-N 3.26Å; Y36-F39 WeakPolarHBondContact O-CB 3.2Å; Y36-F39 PolarHBondContact O-N 2.82Å; Y36-C40 PolarHBondContact O-N 3.26Å; Y36-C40 PolarHBondContact O-SG 3.04Å; Y36-Y74 AromaticContact CD2-CD1 3.52Å; Y36-Y74 HydrophobicContact CD2-CD1 3.52Å; Y36-Y74 AromaticContact CD2-CE1 3.92Å; Y36-Y74 HydrophobicContact CD2-CE1 3.92Å; Y36-Y74 HydrophobicContact CD2-CG 4.16Å; Y36-Y74 AromaticContact CE2-CD1 3.9Å; Y36-Y74 HydrophobicContact CE2-CD1 3.9Å; Y36-Y74 HydrophobicContact CE2-CE1 4.44Å; Y36-Y74 HydrophobicContact CE2-CG 4.06Å; Y36-W195 AromaticContact CE2-CE2 4Å; Y36-W195 HydrophobicContact CE2-CZ2 4.17Å; Y36-W195 AromaticContact CE2-NE1 3.4Å; Y36-W195 AromaticContact CZ-NE1 3.53Å; Y36-W195 PolarHBondContact OH-NE1 2.82Å; Y36-F198 AromaticContact CD1-CD1 3.78Å; Y36-F198 HydrophobicContact CD1-CD1 3.78Å; Y36-F198 HydrophobicContact CD1-CD2 4.37Å; Y36-F198 AromaticContact CD1-CE1 3.85Å; Y36-F198 HydrophobicContact CD1-CE1 3.85Å; Y36-F198 HydrophobicContact CD1-CE2 4.4Å; Y36-F198 HydrophobicContact CD1-CG 4.05Å; Y36-F198 HydrophobicContact CD1-CZ 4.15Å; Y36-F198 HydrophobicContact CD2-CB 3.73Å; Y36-F198 HydrophobicContact CD2-CD1 4.27Å; Y36-F198 HydrophobicContact CD2-CD2 4.4Å; Y36-F198 AromaticContact CD2-CG 3.9Å; Y36-F198 HydrophobicContact CD2-CG 3.9Å; Y36-F198 HydrophobicContact CE1-CD1 4.03Å; Y36-F198 HydrophobicContact CE1-CE1 4.23Å; Y36-F198 HydrophobicContact CE2-CB 4.1Å; Y36-F198 HydrophobicContact CE2-CD1 4.45Å; Y36-F198 HydrophobicContact CE2-CG 4.41Å; Y36-F198 HydrophobicContact CG-CB 4.08Å; Y36-F198 AromaticContact CG-CD1 3.94Å; Y36-F198 HydrophobicContact CG-CD1 3.94Å; Y36-F198 AromaticContact CG-CD2 3.9Å; Y36-F198 HydrophobicContact CG-CD2 3.9Å; Y36-F198 HydrophobicContact CG-CE1 4.33Å; Y36-F198 HydrophobicContact CG-CE2 4.26Å; Y36-F198 AromaticContact CG-CG 3.71Å; Y36-F198 HydrophobicContact CG-CG 3.71Å; Y36-F198 HydrophobicContact CG-CZ 4.46Å
37N92.7Very high84.6Confident5 Ų534.2 Ų34.23%0.02718%0.184CC..Hα-helixtrans-66-44.9177.2-167.951.9000111.5L33 E34 F39 C40 S41 H48 V49 A114 L119L33-N37 WeakPolarHBondContact O-CB 3.43Å; L33-N37 PolarHBondContact O-N 2.81Å; E34-N37 PolarHBondContact O-N 3.1Å; N37-F39 VanDerWaalsContact C-N 3.27Å; N37-F39 PolarHBondContact O-N 2.82Å; N37-C40 PolarHBondContact O-N 3.48Å; N37-C40 VanDerWaalsContact O-N 3.16Å; N37-S41 WeakPolarHBondContact O-CB 3.34Å; N37-S41 PolarHBondContact O-N 3.14Å; N37-S41 PolarHBondContact O-OG 3.05Å; N37-H48 WeakPolarHBondContact OD1-CA 3.48Å; N37-H48 WeakPolarHBondContact OD1-CB 3.39Å; N37-V49 HydrophobicContact CB-CG2 4.12Å; N37-V49 VanDerWaalsContact N-CG2 3.26Å; N37-V49 PolarHBondContact OD1-N 2.78Å; N37-A114 HydrophobicContact CB-CB 4.1Å; N37-A114 WeakPolarHBondContact OD1-CB 3.34Å; N37-L119 HydrophobicContact CB-CD2 4.07Å
38N89.9Confident86Confident40 Ų4030.5 Ų30.521%0.21417%0.168CC..Hα-helixtrans-60.9-38.5174.8-70.4-20.2000111.2E34 S41 T42 K344E34-N38 WeakPolarHBondContact O-CB 2.94Å; E34-N38 VanDerWaalsContact O-CG 3.23Å; E34-N38 PolarHBondContact O-N 2.59Å; E34-N38 PolarHBondContact O-ND2 2.93Å; N38-S41 PolarHBondContact O-OG 2.03Å; N38-T42 VanDerWaalsContact O-CB 3.26Å; N38-T42 WeakPolarHBondContact O-CB 3.27Å; N38-T42 PolarHBondContact O-N 2.97Å; N38-T42 PolarHBondContact O-OG1 1.99Å; N38-K344 PolarHBondContact OD1-NZ 3Å
39F91.4Very high87.5Confident33 Ų3328.7 Ų28.715%0.14515%0.149CC..Hα-helixtrans-60.8-51.2172.2-178.6-82.8000111.6I19 N23 V24 I35 Y36 N37 S41 T42 R43 F44 F198I19-F39 HydrophobicContact CB-CE1 4.37Å; I19-F39 HydrophobicContact CD1-CE1 4.49Å; I19-F39 HydrophobicContact CG1-CE1 4.07Å; I19-F39 HydrophobicContact CG2-CD1 4.44Å; I19-F39 HydrophobicContact CG2-CE1 3.62Å; I19-F39 HydrophobicContact CG2-CZ 3.79Å; N23-F39 HydrophobicContact CB-CE2 4.03Å; N23-F39 HydrophobicContact CB-CZ 4.09Å; V24-F39 HydrophobicContact CG2-CB 4.29Å; V24-F39 HydrophobicContact CG2-CD2 3.73Å; V24-F39 HydrophobicContact CG2-CE2 4.25Å; V24-F39 HydrophobicContact CG2-CG 4.05Å; I35-F39 PolarHBondContact O-N 3.16Å; I35-F39 VanDerWaalsContact O-N 3.08Å; Y36-F39 WeakPolarHBondContact O-CB 3.2Å; Y36-F39 PolarHBondContact O-N 2.82Å; N37-F39 VanDerWaalsContact C-N 3.27Å; N37-F39 PolarHBondContact O-N 2.82Å; F39-S41 VanDerWaalsContact C-N 3.35Å; F39-S41 PolarHBondContact O-N 1.98Å; F39-T42 PolarHBondContact O-N 2.96Å; F39-R43 HydrophobicContact CD1-CG 4.17Å; F39-R43 HydrophobicContact CD2-CG 4.34Å; F39-R43 HydrophobicContact CE1-CB 4.26Å; F39-R43 HydrophobicContact CE1-CG 3.84Å; F39-R43 HydrophobicContact CE2-CG 4.07Å; F39-R43 HydrophobicContact CG-CG 4.41Å; F39-R43 HydrophobicContact CZ-CG 3.81Å; F39-R43 WeakPolarHBondContact O-CB 3.38Å; F39-R43 WeakPolarHBondContact O-CG 3.04Å; F39-R43 PolarHBondContact O-N 3.26Å; F39-F44 HydrophobicContact CE1-CE2 4.27Å; F39-F198 HydrophobicContact CB-CE2 4.45Å; F39-F198 HydrophobicContact CB-CZ 4.24Å; F39-F198 AromaticContact CD1-CE2 3.79Å; F39-F198 HydrophobicContact CD1-CE2 3.79Å; F39-F198 AromaticContact CD1-CZ 3.52Å; F39-F198 HydrophobicContact CD1-CZ 3.52Å; F39-F198 HydrophobicContact CE1-CE2 4.45Å; F39-F198 AromaticContact CE1-CZ 4Å; F39-F198 HydrophobicContact CE1-CZ 4Å; F39-F198 HydrophobicContact CG-CE2 4.36Å; F39-F198 AromaticContact CG-CZ 3.88Å; F39-F198 HydrophobicContact CG-CZ 3.88Å
40C92.9Very high88.7Confident0 Ų025.5 Ų25.50%013%0.127CC..Hα-helixtrans-60.1-44.9-178.5-65.70000111.7Y36 N37 T42 R43 F44 C200Y36-C40 PolarHBondContact O-N 3.26Å; Y36-C40 PolarHBondContact O-SG 3.04Å; N37-C40 PolarHBondContact O-N 3.48Å; N37-C40 VanDerWaalsContact O-N 3.16Å; C40-T42 PolarHBondContact O-N 2.93Å; C40-R43 PolarHBondContact O-N 3.07Å; C40-F44 WeakPolarHBondContact O-CB 3.5Å; C40-F44 PolarHBondContact O-N 3.02Å; C40-C200 WeakPolarHBondContact CA-SG 3.22Å; C40-C200 HydrophobicContact CB-CB 3.73Å; C40-C200 WeakPolarHBondContact CB-SG 3.48Å; C40-C200 WeakPolarHBondContact SG-CA 2.91Å; C40-C200 WeakPolarHBondContact SG-CB 2.93Å; C40-C200 CovalentContact SG-SG 2.04Å; C40-C200 PolarHBondContact SG-SG 2.97Å
41S89.8Confident89.6Confident7 Ų728.3 Ų28.35%0.04914%0.135CC..Hα-helixtrans-69.3-33.1-17776.90000112.7N37 N38 F39 G47 T334 K335N37-S41 WeakPolarHBondContact O-CB 3.34Å; N37-S41 PolarHBondContact O-N 3.14Å; N37-S41 PolarHBondContact O-OG 3.05Å; N38-S41 PolarHBondContact O-OG 2.03Å; F39-S41 VanDerWaalsContact C-N 3.35Å; F39-S41 PolarHBondContact O-N 1.98Å; S41-G47 WeakPolarHBondContact CA-O 3.03Å; S41-G47 VanDerWaalsContact CB-O 3.31Å; S41-G47 WeakPolarHBondContact CB-O 3.44Å; S41-G47 PolarHBondContact N-O 3.21Å; S41-T334 WeakPolarHBondContact O-CG2 3.09Å; S41-K335 PolarHBondContact O-N 2.71Å
42T85.5Confident89.9Confident51 Ų5124.5 Ų24.531%0.31312%0.115SC..Hα-helixtrans-75-39.9176.6-56.40000111.5N38 F39 C40N38-T42 VanDerWaalsContact O-CB 3.26Å; N38-T42 WeakPolarHBondContact O-CB 3.27Å; N38-T42 PolarHBondContact O-N 2.97Å; N38-T42 PolarHBondContact O-OG1 1.99Å; F39-T42 PolarHBondContact O-N 2.96Å; C40-T42 PolarHBondContact O-N 2.93Å
43R87.4Confident89.2Confident131 Ų13127 Ų2749%0.49413%0.126SC..Hα-helixtrans-86.4-35.5-173-67.2-64-174.9153-2.1113.1F39 C40 K335F39-R43 HydrophobicContact CD1-CG 4.17Å; F39-R43 HydrophobicContact CD2-CG 4.34Å; F39-R43 HydrophobicContact CE1-CB 4.26Å; F39-R43 HydrophobicContact CE1-CG 3.84Å; F39-R43 HydrophobicContact CE2-CG 4.07Å; F39-R43 HydrophobicContact CG-CG 4.41Å; F39-R43 HydrophobicContact CZ-CG 3.81Å; F39-R43 WeakPolarHBondContact O-CB 3.38Å; F39-R43 WeakPolarHBondContact O-CG 3.04Å; F39-R43 PolarHBondContact O-N 3.26Å; C40-R43 PolarHBondContact O-N 3.07Å; R43-K335 WeakPolarHBondContact O-CE 3.33Å; R43-K335 PolarHBondContact O-NZ 2.85Å
44F89.5Confident87.5Confident3 Ų328.8 Ų28.81%0.01314%0.141CC..SBendtrans-121.4145.3-172-53.8-80000112.7I5 I19 F39 C40 G46 G47 C200 H202 Y240I5-F44 HydrophobicContact CD1-CZ 4.23Å; I19-F44 HydrophobicContact CD1-CE2 3.96Å; I19-F44 HydrophobicContact CD1-CZ 3.74Å; I19-F44 HydrophobicContact CG1-CE2 4.36Å; F39-F44 HydrophobicContact CE1-CE2 4.27Å; C40-F44 WeakPolarHBondContact O-CB 3.5Å; C40-F44 PolarHBondContact O-N 3.02Å; F44-G46 PolarHBondContact O-N 2.92Å; F44-G47 PolarHBondContact O-N 3.42Å; F44-C200 HydrophobicContact CD2-CB 3.8Å; F44-C200 HydrophobicContact CE2-CB 3.88Å; F44-H202 HydrophobicContact CB-CB 3.38Å; F44-H202 VanDerWaalsContact CB-CG 3.45Å; F44-H202 AromaticContact CD1-CD2 3.56Å; F44-H202 AromaticContact CD1-CE1 3.52Å; F44-H202 AromaticContact CD1-CG 3.81Å; F44-H202 AromaticContact CD1-ND1 3.78Å; F44-H202 AromaticContact CD1-NE2 3.38Å; F44-H202 WeakPolarHBondContact CD1-NE2 3.27Å; F44-H202 AromaticContact CE1-NE2 3.62Å; F44-H202 HydrophobicContact CG-CB 4.15Å; F44-H202 AromaticContact CG-CD2 3.56Å; F44-H202 AromaticContact CG-CG 3.73Å; F44-H202 AromaticContact CG-NE2 3.92Å; F44-Y240 HydrophobicContact CD1-CD2 4.14Å; F44-Y240 AromaticContact CD1-CE2 3.49Å; F44-Y240 HydrophobicContact CD1-CE2 3.49Å; F44-Y240 VanDerWaalsContact CD1-CE2 3.49Å; F44-Y240 HydrophobicContact CE1-CD2 4.25Å; F44-Y240 HydrophobicContact CE1-CE1 4.42Å; F44-Y240 AromaticContact CE1-CE2 3.43Å; F44-Y240 HydrophobicContact CE1-CE2 3.43Å; F44-Y240 VanDerWaalsContact CE1-CE2 3.43Å; F44-Y240 AromaticContact CE1-CZ 3.54Å; F44-Y240 WeakPolarHBondContact CE1-OH 3.4Å; F44-Y240 HydrophobicContact CZ-CE2 4.43Å
45K85.9Confident86Confident21 Ų2128.8 Ų28.89%0.09116%0.161CC..THydrogen-bonded Turntrans-63.3119.5177.8177.2-179.7176.5174.20110.9G47 H202 Y203 E237 H336 W337 N339K45-G47 PolarHBondContact O-N 2.98Å; K45-H202 WeakPolarHBondContact O-CB 3.38Å; K45-Y203 HydrophobicContact CG-CD2 4.42Å; K45-Y203 PolarHBondContact O-N 3.42Å; K45-E237 IonicContact NZ-OE2 3.5Å; K45-H336 WeakPolarHBondContact CG-O 3.37Å; K45-W337 WeakPolarHBondContact CE-O 3.22Å; K45-W337 PolarHBondContact NZ-O 2.68Å; K45-N339 PolarHBondContact NZ-OD1 2.8Å
46G86.7Confident84.8Confident8 Ų829.7 Ų29.78%0.08217%0.165CC..THydrogen-bonded Turntrans58.823.8-173.500000112.8F44 H48 K335F44-G46 PolarHBondContact O-N 2.92Å; G46-H48 PolarHBondContact O-ND1 2.98Å; G46-K335 PolarHBondContact N-O 3.19Å
47G91.6Very high83.8Confident2 Ų233.5 Ų33.52%0.02120%0.198CC..  trans-69.2134-172.900000112S41 F44 K45 R201S41-G47 WeakPolarHBondContact CA-O 3.03Å; S41-G47 VanDerWaalsContact CB-O 3.31Å; S41-G47 WeakPolarHBondContact CB-O 3.44Å; S41-G47 PolarHBondContact N-O 3.21Å; F44-G47 PolarHBondContact O-N 3.42Å; K45-G47 PolarHBondContact O-N 2.98Å; G47-R201 WeakPolarHBondContact CA-O 3.28Å
48H93.2Very high83.3Confident30 Ų3035 Ų3514%0.13920%0.204CC..EExtended strand (participates in β ladder)trans-146.1160.717156.2-77.4000109.9N37 G46 A50 A114 T115 C200 R201N37-H48 WeakPolarHBondContact OD1-CA 3.48Å; N37-H48 WeakPolarHBondContact OD1-CB 3.39Å; G46-H48 PolarHBondContact O-ND1 2.98Å; H48-A50 PolarHBondContact O-N 2.95Å; H48-A114 HydrophobicContact CB-CB 4.44Å; H48-T115 VanDerWaalsContact CB-C 3.5Å; H48-T115 WeakPolarHBondContact CB-O 3.36Å; H48-C200 CarbonylContact O-C 3.48Å; H48-C200 WeakPolarHBondContact O-CA 3.34Å; H48-R201 PolarHBondContact N-O 3.45Å; H48-R201 PolarHBondContact O-N 3.3Å
49V94.1Very high83Confident0 Ų035.3 Ų35.30%021%0.208CC..EExtended strand (participates in β ladder)trans-63.9127.4175.41680000109.5L33 N37 R51 Y74 A114 A199L33-V49 HydrophobicContact CD1-CB 4.37Å; L33-V49 HydrophobicContact CD1-CG1 4.2Å; N37-V49 HydrophobicContact CB-CG2 4.12Å; N37-V49 VanDerWaalsContact N-CG2 3.26Å; N37-V49 PolarHBondContact OD1-N 2.78Å; V49-R51 PolarHBondContact O-N 3.25Å; V49-Y74 HydrophobicContact CG1-CD1 4.18Å; V49-Y74 HydrophobicContact CG1-CE1 4.06Å; V49-A114 HydrophobicContact CB-CB 3.95Å; V49-A199 WeakPolarHBondContact CA-O 3.43Å
50A92.8Very high82.5Confident4 Ų446.2 Ų46.23%0.03325%0.249CC..  trans-69.1130.7178.800000110.3L16 H48 F52 G76 A199 R201L16-A50 HydrophobicContact CD1-CB 3.4Å; L16-A50 VanDerWaalsContact CD1-CB 3.4Å; H48-A50 PolarHBondContact O-N 2.95Å; A50-F52 HydrophobicContact CB-CE2 4.03Å; A50-F52 HydrophobicContact CB-CZ 4.16Å; A50-G76 WeakPolarHBondContact O-CA 3.27Å; A50-A199 HydrophobicContact CB-CB 3.97Å; A50-A199 PolarHBondContact N-O 3.28Å; A50-R201 HydrophobicContact CB-CB 4.2Å
51R89Confident82.2Confident68 Ų6849.1 Ų49.126%0.25727%0.269SS..  trans-87.7112.5172.7167.6172.4176172.8-3109.1V49 E53 I56 V77 Y113V49-R51 PolarHBondContact O-N 3.25Å; R51-E53 HydrophobicContact CG-CG 4.2Å; R51-E53 IonicContact CZ-OE1 3.63Å; R51-E53 IonicContact NE-OE1 2.88Å; R51-E53 PolarHBondContact NE-OE1 3Å; R51-E53 IonicContact NH2-OE1 3.77Å; R51-E53 PolarHBondContact NH2-OE1 3.15Å; R51-E53 IonicContact NH2-OE2 2.82Å; R51-I56 VanDerWaalsContact O-CD1 3.27Å; R51-I56 WeakPolarHBondContact O-CD1 3.41Å; R51-V77 HydrophobicContact CB-CG2 4.48Å; R51-V77 HydrophobicContact CG-CG2 3.74Å; R51-Y113 VanDerWaalsContact NH1-CD1 3.31Å
52F87Confident82Confident2 Ų250.4 Ų50.41%0.00928%0.276CS..  trans-94.1109.7174.1-63.7-84.8000111L16 F18 A50 I56 F58 V73 S75 L174 F184 A199L16-F52 HydrophobicContact CD1-CZ 4.35Å; L16-F52 HydrophobicContact CD2-CE1 3.87Å; L16-F52 HydrophobicContact CD2-CZ 3.91Å; F18-F52 AromaticContact CE1-CZ 3.82Å; F18-F52 HydrophobicContact CE1-CZ 3.82Å; F18-F52 HydrophobicContact CZ-CE1 4.45Å; F18-F52 HydrophobicContact CZ-CZ 4.05Å; A50-F52 HydrophobicContact CB-CE2 4.03Å; A50-F52 HydrophobicContact CB-CZ 4.16Å; F52-I56 HydrophobicContact CB-CD1 4.47Å; F52-I56 HydrophobicContact CD1-CB 4.45Å; F52-I56 HydrophobicContact CD1-CD1 3.56Å; F52-I56 HydrophobicContact CD1-CG1 4.47Å; F52-I56 HydrophobicContact CD1-CG2 4.43Å; F52-I56 HydrophobicContact CE1-CD1 4.08Å; F52-I56 HydrophobicContact CE1-CG2 4.48Å; F52-I56 HydrophobicContact CG-CD1 4.21Å; F52-F58 HydrophobicContact CD1-CZ 4.08Å; F52-F58 HydrophobicContact CE1-CE1 4.16Å; F52-F58 AromaticContact CE1-CZ 3.94Å; F52-F58 HydrophobicContact CE1-CZ 3.94Å; F52-V73 HydrophobicContact CE2-CG1 4.05Å; F52-S75 PolarHBondContact N-O 3.07Å; F52-L174 HydrophobicContact CB-CD2 4.03Å; F52-L174 HydrophobicContact CD1-CD2 3.66Å; F52-L174 HydrophobicContact CD2-CD2 4.07Å; F52-L174 HydrophobicContact CE1-CD2 4.12Å; F52-L174 HydrophobicContact CE2-CD2 4.44Å; F52-L174 HydrophobicContact CG-CD2 3.65Å; F52-L174 HydrophobicContact CZ-CD2 4.48Å; F52-F184 HydrophobicContact CB-CE1 4.12Å; F52-F184 HydrophobicContact CB-CZ 4.02Å; F52-A199 HydrophobicContact CE2-CB 3.54Å; F52-A199 HydrophobicContact CZ-CB 3.49Å; F52-A199 VanDerWaalsContact CZ-CB 3.49Å
53E72Confident82.1Confident54 Ų5458.3 Ų58.325%0.25230%0.3SS..  trans-109.7156.7162.5-61.2-170.3-122.400109.7R51 G55 I56 S145 W147R51-E53 HydrophobicContact CG-CG 4.2Å; R51-E53 IonicContact CZ-OE1 3.63Å; R51-E53 IonicContact NE-OE1 2.88Å; R51-E53 PolarHBondContact NE-OE1 3Å; R51-E53 IonicContact NH2-OE1 3.77Å; R51-E53 PolarHBondContact NH2-OE1 3.15Å; R51-E53 IonicContact NH2-OE2 2.82Å; E53-G55 PolarHBondContact O-N 3.35Å; E53-I56 PolarHBondContact O-N 2.65Å; E53-S145 PolarHBondContact OE2-OG 3.24Å; E53-W147 HydrophobicContact CB-CB 4.33Å; E53-W147 HydrophobicContact CG-CB 3.97Å
54A54.4Low82.2Confident38 Ų3853.2 Ų53.231%0.31428%0.281SS..THydrogen-bonded Turntrans-58.3111.417100000108.8A146A54-A146 HydrophobicContact CB-CB 3.57Å; A54-A146 VanDerWaalsContact O-CB 3.26Å; A54-A146 WeakPolarHBondContact O-CB 3.43Å
55G57.7Low82.2Confident72 Ų7253.1 Ų53.174%0.74228%0.281SS*.THydrogen-bonded Turntrans142.5-18.6-17000000114.3E53 A57E53-G55 PolarHBondContact O-N 3.35Å; G55-A57 PolarHBondContact O-N 2.84Å; G55-A57 VanDerWaalsContact O-N 3.15Å
56I65.7Low82.3Confident50 Ų5057 Ų5726%0.25630%0.295SS..  trans-67.8114.9170.3-65.5-168.8000109.5R51 F52 E53 F58R51-I56 VanDerWaalsContact O-CD1 3.27Å; R51-I56 WeakPolarHBondContact O-CD1 3.41Å; F52-I56 HydrophobicContact CB-CD1 4.47Å; F52-I56 HydrophobicContact CD1-CB 4.45Å; F52-I56 HydrophobicContact CD1-CD1 3.56Å; F52-I56 HydrophobicContact CD1-CG1 4.47Å; F52-I56 HydrophobicContact CD1-CG2 4.43Å; F52-I56 HydrophobicContact CE1-CD1 4.08Å; F52-I56 HydrophobicContact CE1-CG2 4.48Å; F52-I56 HydrophobicContact CG-CD1 4.21Å; E53-I56 PolarHBondContact O-N 2.65Å; I56-F58 HydrophobicContact CG2-CZ 4.39Å; I56-F58 PolarHBondContact O-N 3.22Å
57A70.2Confident82.2Confident85 Ų8564.1 Ų64.170%0.70233%0.331SS*.  trans-76108174.100000109.6G55G55-A57 PolarHBondContact O-N 2.84Å; G55-A57 VanDerWaalsContact O-N 3.15Å
58F82Confident82.1Confident36 Ų3668 Ų6816%0.15835%0.345CS..  trans-71.9143.5166.7-67.4-78.4000109.8Y8 F18 F52 I56 R60 W64 L174 I176 F182Y8-F58 HydrophobicContact CE1-CD1 4.08Å; Y8-F58 VanDerWaalsContact OH-CD1 3.28Å; Y8-F58 WeakPolarHBondContact OH-CD1 3.41Å; F18-F58 HydrophobicContact CZ-CE1 4.2Å; F52-F58 HydrophobicContact CD1-CZ 4.08Å; F52-F58 HydrophobicContact CE1-CE1 4.16Å; F52-F58 AromaticContact CE1-CZ 3.94Å; F52-F58 HydrophobicContact CE1-CZ 3.94Å; I56-F58 HydrophobicContact CG2-CZ 4.39Å; I56-F58 PolarHBondContact O-N 3.22Å; F58-R60 PolarHBondContact O-N 3.24Å; F58-W64 HydrophobicContact CD1-CH2 4.2Å; F58-W64 AromaticContact CD1-CZ2 3.89Å; F58-W64 HydrophobicContact CD1-CZ2 3.89Å; F58-W64 HydrophobicContact CE1-CH2 4.46Å; F58-L174 HydrophobicContact CZ-CD2 4.04Å; F58-I176 HydrophobicContact CD1-CD1 4.49Å; F58-I176 HydrophobicContact CE1-CD1 3.63Å; F58-I176 HydrophobicContact CZ-CD1 3.76Å; F58-I176 HydrophobicContact CZ-CG1 4.43Å; F58-F182 AromaticContact CD2-CD1 3.64Å; F58-F182 HydrophobicContact CD2-CD1 3.64Å; F58-F182 AromaticContact CD2-CE1 3.88Å; F58-F182 HydrophobicContact CD2-CE1 3.88Å; F58-F182 HydrophobicContact CD2-CG 4.02Å; F58-F182 HydrophobicContact CD2-CZ 4.45Å; F58-F182 HydrophobicContact CE2-CB 4.3Å; F58-F182 AromaticContact CE2-CD1 3.99Å; F58-F182 HydrophobicContact CE2-CD1 3.99Å; F58-F182 HydrophobicContact CE2-CD2 4.14Å; F58-F182 HydrophobicContact CE2-CE1 4.35Å; F58-F182 HydrophobicContact CE2-CE2 4.5Å; F58-F182 AromaticContact CE2-CG 3.87Å; F58-F182 HydrophobicContact CE2-CG 3.87Å
59P83.6Confident81.9Confident47 Ų4770.8 Ų70.831%0.30537%0.368SS..  trans-54.9138172.5-23.532.2000110.6Y8 S61Y8-P59 HydrophobicContact CD1-CG 4.1Å; Y8-P59 HydrophobicContact CD2-CG 3.49Å; Y8-P59 VanDerWaalsContact CD2-CG 3.49Å; Y8-P59 HydrophobicContact CE1-CG 4.36Å; Y8-P59 HydrophobicContact CE2-CG 3.8Å; Y8-P59 HydrophobicContact CG-CG 3.65Å; P59-S61 PolarHBondContact O-N 2.83Å
60R81.8Confident81.8Confident262 Ų26273.5 Ų73.599%0.98939%0.385SS*.SBendtrans-55.4-35.7175.3-70.1-174.5179.71750.2112F58F58-R60 PolarHBondContact O-N 3.24Å
61S85.8Confident81.7Confident60 Ų6073.3 Ų73.342%0.4238%0.384SS..  trans-78.1127.7174.3-1730000110.6P59 R63 W64P59-S61 PolarHBondContact O-N 2.83Å; S61-R63 WeakPolarHBondContact OG-CG 3.26Å; S61-W64 PolarHBondContact O-NE1 2.99Å; S61-W64 VanDerWaalsContact O-NE1 3.16Å
62T86.5Confident82Confident34 Ų3475.3 Ų75.321%0.20939%0.391CS..  trans-93.310.7176.257.40000113.6W64 L65 K178T62-W64 PolarHBondContact O-N 2.95Å; T62-W64 VanDerWaalsContact O-N 3.12Å; T62-L65 WeakPolarHBondContact O-CB 3.21Å; T62-L65 PolarHBondContact O-N 3.22Å; T62-K178 WeakPolarHBondContact CB-O 3.49Å; T62-K178 VanDerWaalsContact CG2-O 3.31Å; T62-K178 WeakPolarHBondContact CG2-O 3.35Å; T62-K178 PolarHBondContact OG1-O 3.02Å
63R87.4Confident82.3Confident217 Ų21775.2 Ų75.282%0.81939%0.391SS*.G310 helixtrans-57.3-28.9178.6-70.8-178.4-164.4166.24.3113.1S61 L65 R66S61-R63 WeakPolarHBondContact OG-CG 3.26Å; R63-L65 PolarHBondContact O-N 3.4Å; R63-R66 PolarHBondContact O-N 3.3Å
64W89Confident83.3Confident25 Ų2572.7 Ų72.710%0.09538%0.379CS..G310 helixtrans-63.1-23.7177.461.7-95.6000113.1V6 G7 Y8 F18 F58 S61 T62 R66 I71 I176V6-W64 WeakPolarHBondContact CB-O 3.46Å; G7-W64 WeakPolarHBondContact O-CB 3.26Å; Y8-W64 HydrophobicContact CD1-CB 4.47Å; Y8-W64 AromaticContact CD1-CD2 3.63Å; Y8-W64 HydrophobicContact CD1-CD2 3.63Å; Y8-W64 AromaticContact CD1-CE2 3.88Å; Y8-W64 AromaticContact CD1-CE3 3.87Å; Y8-W64 HydrophobicContact CD1-CE3 3.87Å; Y8-W64 AromaticContact CD1-CG 3.9Å; Y8-W64 HydrophobicContact CD1-CG 3.9Å; Y8-W64 HydrophobicContact CD1-CZ2 4.35Å; Y8-W64 HydrophobicContact CD1-CZ3 4.31Å; Y8-W64 HydrophobicContact CE1-CD2 4.15Å; Y8-W64 HydrophobicContact CE1-CE3 4.27Å; Y8-W64 HydrophobicContact CE1-CH2 4.14Å; Y8-W64 HydrophobicContact CE1-CZ2 4.04Å; Y8-W64 HydrophobicContact CE1-CZ3 4.26Å; Y8-W64 HydrophobicContact CG-CG 4.49Å; F18-W64 HydrophobicContact CD2-CE3 4.27Å; F18-W64 AromaticContact CD2-CZ3 3.68Å; F18-W64 HydrophobicContact CD2-CZ3 3.68Å; F18-W64 HydrophobicContact CE2-CE3 4.08Å; F18-W64 AromaticContact CE2-CH2 3.87Å; F18-W64 HydrophobicContact CE2-CH2 3.87Å; F18-W64 AromaticContact CE2-CZ3 3.35Å; F18-W64 HydrophobicContact CE2-CZ3 3.35Å; F18-W64 HydrophobicContact CG-CZ3 4.49Å; F18-W64 AromaticContact CZ-CH2 4Å; F18-W64 HydrophobicContact CZ-CH2 4Å; F18-W64 AromaticContact CZ-CZ3 3.91Å; F18-W64 HydrophobicContact CZ-CZ3 3.91Å; F58-W64 HydrophobicContact CD1-CH2 4.2Å; F58-W64 AromaticContact CD1-CZ2 3.89Å; F58-W64 HydrophobicContact CD1-CZ2 3.89Å; F58-W64 HydrophobicContact CE1-CH2 4.46Å; S61-W64 PolarHBondContact O-NE1 2.99Å; S61-W64 VanDerWaalsContact O-NE1 3.16Å; T62-W64 PolarHBondContact O-N 2.95Å; T62-W64 VanDerWaalsContact O-N 3.12Å; W64-R66 PolarHBondContact O-N 2.71Å; W64-I71 HydrophobicContact CH2-CD1 4.43Å; W64-I71 HydrophobicContact CZ3-CD1 4.16Å; W64-I176 HydrophobicContact CH2-CD1 4.19Å; W64-I176 HydrophobicContact CH2-CG2 3.99Å; W64-I176 HydrophobicContact CZ2-CG2 4.25Å
65L89.2Confident85Confident0 Ų070.9 Ų70.90%036%0.364CS..G310 helixtrans-72.4-9.5172.4-71.1170.9000113.2T62 R63 N67 Y68 I71 I176 K178T62-L65 WeakPolarHBondContact O-CB 3.21Å; T62-L65 PolarHBondContact O-N 3.22Å; R63-L65 PolarHBondContact O-N 3.4Å; L65-N67 PolarHBondContact O-N 2.94Å; L65-Y68 WeakPolarHBondContact O-CD2 3.34Å; L65-Y68 PolarHBondContact O-N 2.81Å; L65-I71 HydrophobicContact CD2-CD1 3.54Å; L65-I71 HydrophobicContact CD2-CG1 3.85Å; L65-I71 HydrophobicContact CD2-CG2 4.27Å; L65-I176 HydrophobicContact CD1-CG2 4.33Å; L65-K178 HydrophobicContact CD1-CB 4.37Å
66R88Confident86.6Confident102 Ų10267.4 Ų67.439%0.38533%0.329SS..THydrogen-bonded Turntrans49.9-112.3-176.7-58.2-176.5-179.6160.62.1111.4A3 I5 V6 R63 W64 K178A3-R66 PolarHBondContact O-NH1 3.21Å; I5-R66 PolarHBondContact O-NH1 3.5Å; I5-R66 PolarHBondContact O-NH2 3.19Å; V6-R66 HydrophobicContact CG1-CB 4.48Å; V6-R66 HydrophobicContact CG1-CG 4.15Å; R63-R66 PolarHBondContact O-N 3.3Å; W64-R66 PolarHBondContact O-N 2.71Å; R66-K178 PolarHBondContact O-NZ 2.96Å
67N86.2Confident87.8Confident158 Ų15865.1 Ų65.185%0.84532%0.317SS*.THydrogen-bonded Turntrans-93-8.4-174.8-63.5-10.3000113.2L65 S69L65-N67 PolarHBondContact O-N 2.94Å; N67-S69 PolarHBondContact O-N 2.81Å
68Y88.3Confident88.7Confident83 Ų8361.2 Ų61.233%0.32528%0.284SS..  trans-71.7125.4179.5-67.5-79.7000111.2V6 L65 I71 H197V6-Y68 HydrophobicContact CG1-CD2 4.09Å; V6-Y68 HydrophobicContact CG1-CE2 3.91Å; L65-Y68 WeakPolarHBondContact O-CD2 3.34Å; L65-Y68 PolarHBondContact O-N 2.81Å; Y68-I71 HydrophobicContact CD1-CG2 3.81Å; Y68-I71 HydrophobicContact CD2-CG2 4.16Å; Y68-I71 HydrophobicContact CG-CG2 3.58Å; Y68-H197 AromaticContact CE1-CE1 3.9Å; Y68-H197 AromaticContact CZ-NE2 3.79Å
69S89.1Confident88.9Confident89 Ų8959.5 Ų59.562%0.62228%0.276SS*.SBendtrans-77.1-38171.158.40000111.7N67 K178N67-S69 PolarHBondContact O-N 2.81Å; S69-K178 WeakPolarHBondContact O-CB 3.42Å; S69-K178 PolarHBondContact O-N 2.74Å
70T91.3Very high89Confident58 Ų5860 Ų6036%0.35628%0.276SS..EExtended strand (participates in β ladder)trans-148.1135.6174.4-61.80000109.4I176 K177T70-I176 CarbonylContact C-O 3.58Å; T70-I176 VanDerWaalsContact CA-O 3.29Å; T70-I176 WeakPolarHBondContact CA-O 3.48Å; T70-K177 HydrophobicContact CG2-CG 4.29Å
71I92.3Very high89Confident0 Ų048.2 Ų48.20%024%0.236CC..EExtended strand (participates in β ladder)trans-112.3141.8168.559.9172.5000110.6F18 W64 L65 Y68 V73 I176F18-I71 HydrophobicContact CD1-CD1 3.81Å; F18-I71 HydrophobicContact CE1-CD1 4.16Å; F18-I71 HydrophobicContact CG-CD1 4.1Å; W64-I71 HydrophobicContact CH2-CD1 4.43Å; W64-I71 HydrophobicContact CZ3-CD1 4.16Å; L65-I71 HydrophobicContact CD2-CD1 3.54Å; L65-I71 HydrophobicContact CD2-CG1 3.85Å; L65-I71 HydrophobicContact CD2-CG2 4.27Å; Y68-I71 HydrophobicContact CD1-CG2 3.81Å; Y68-I71 HydrophobicContact CD2-CG2 4.16Å; Y68-I71 HydrophobicContact CG-CG2 3.58Å; I71-V73 HydrophobicContact CB-CG2 4.25Å; I71-V73 HydrophobicContact CD1-CG2 3.66Å; I71-V73 HydrophobicContact CG1-CG2 3.74Å; I71-I176 HydrophobicContact CD1-CB 4.36Å; I71-I176 HydrophobicContact CD1-CD1 4.11Å; I71-I176 HydrophobicContact CG1-CB 3.77Å; I71-I176 HydrophobicContact CG1-CD1 4.33Å; I71-I176 HydrophobicContact CG1-CG1 4.34Å; I71-I176 PolarHBondContact N-O 3.2Å; I71-I176 PolarHBondContact O-N 3.4Å
72R93.6Very high88.3Confident110 Ų11047.4 Ų47.442%0.41523%0.229SC..EExtended strand (participates in β ladder)trans-105.2105179-66.2178.572.397.2-3.7106.9L173 L175 K194 W195 S196 H197R72-L173 HydrophobicContact CB-CD1 3.65Å; R72-L173 HydrophobicContact CB-CD2 4.18Å; R72-L173 HydrophobicContact CB-CG 4.43Å; R72-L173 HydrophobicContact CG-CD2 4.21Å; R72-L173 VanDerWaalsContact CZ-CD2 3.44Å; R72-L173 VanDerWaalsContact NH2-CD2 3.34Å; R72-L175 HydrophobicContact CG-CD2 3.8Å; R72-K194 PolarHBondContact NE-O 3.39Å; R72-K194 PolarHBondContact NH2-O 3.16Å; R72-W195 WeakPolarHBondContact O-CB 3.32Å; R72-S196 PolarHBondContact N-OG 3.42Å; R72-S196 PolarHBondContact O-N 2.87Å; R72-S196 PolarHBondContact O-OG 3.46Å; R72-H197 PolarHBondContact O-N 2.9Å
73V93.3Very high87.3Confident0 Ų048.6 Ų48.60%023%0.232CC..EExtended strand (participates in β ladder)trans-110.3134.2-168.6-169.40000111.5F18 F52 I71 S75 L173 L174 I176 H197F18-V73 HydrophobicContact CD1-CG1 3.87Å; F18-V73 HydrophobicContact CD1-CG2 3.8Å; F18-V73 HydrophobicContact CE1-CG1 3.93Å; F18-V73 HydrophobicContact CE1-CG2 3.91Å; F52-V73 HydrophobicContact CE2-CG1 4.05Å; I71-V73 HydrophobicContact CB-CG2 4.25Å; I71-V73 HydrophobicContact CD1-CG2 3.66Å; I71-V73 HydrophobicContact CG1-CG2 3.74Å; V73-S75 PolarHBondContact O-N 3.09Å; V73-L173 WeakPolarHBondContact O-CD1 3.38Å; V73-L174 HydrophobicContact CB-CB 4.24Å; V73-L174 PolarHBondContact N-O 2.96Å; V73-L174 PolarHBondContact O-N 2.88Å; V73-I176 HydrophobicContact CG2-CD1 3.98Å; V73-I176 HydrophobicContact CG2-CG1 4.38Å; V73-H197 CarbonylContact C-O 3.42Å; V73-H197 VanDerWaalsContact CA-O 3.27Å; V73-H197 WeakPolarHBondContact CA-O 3.39Å; V73-H197 HydrophobicContact CG2-CB 4.39Å
74Y93.2Very high85.9Confident0 Ų043.4 Ų43.40%022%0.22CC..EExtended strand (participates in β ladder)trans-60.5124.9165.9176.1-124.7000110.6L33 Y36 V49 G76 Q78 C171 W195 H197 F198L33-Y74 HydrophobicContact CD1-CE1 4.24Å; Y36-Y74 AromaticContact CD2-CD1 3.52Å; Y36-Y74 HydrophobicContact CD2-CD1 3.52Å; Y36-Y74 AromaticContact CD2-CE1 3.92Å; Y36-Y74 HydrophobicContact CD2-CE1 3.92Å; Y36-Y74 HydrophobicContact CD2-CG 4.16Å; Y36-Y74 AromaticContact CE2-CD1 3.9Å; Y36-Y74 HydrophobicContact CE2-CD1 3.9Å; Y36-Y74 HydrophobicContact CE2-CE1 4.44Å; Y36-Y74 HydrophobicContact CE2-CG 4.06Å; V49-Y74 HydrophobicContact CG1-CD1 4.18Å; V49-Y74 HydrophobicContact CG1-CE1 4.06Å; Y74-G76 VanDerWaalsContact CE1-CA 3.45Å; Y74-G76 PolarHBondContact O-N 3.49Å; Y74-Q78 VanDerWaalsContact OH-CG 3.27Å; Y74-Q78 WeakPolarHBondContact OH-CG 3.47Å; Y74-C171 HydrophobicContact CE2-CB 4.11Å; Y74-C171 VanDerWaalsContact CE2-SG 3.56Å; Y74-W195 AromaticContact CD2-CD2 3.91Å; Y74-W195 HydrophobicContact CD2-CD2 3.91Å; Y74-W195 AromaticContact CD2-CE2 3.77Å; Y74-W195 AromaticContact CD2-CE3 3.76Å; Y74-W195 HydrophobicContact CD2-CE3 3.76Å; Y74-W195 AromaticContact CD2-CH2 3.41Å; Y74-W195 HydrophobicContact CD2-CH2 3.41Å; Y74-W195 VanDerWaalsContact CD2-CH2 3.41Å; Y74-W195 AromaticContact CD2-CZ2 3.53Å; Y74-W195 HydrophobicContact CD2-CZ2 3.53Å; Y74-W195 AromaticContact CD2-CZ3 3.49Å; Y74-W195 HydrophobicContact CD2-CZ3 3.49Å; Y74-W195 VanDerWaalsContact CD2-CZ3 3.49Å; Y74-W195 AromaticContact CE2-CH2 3.68Å; Y74-W195 HydrophobicContact CE2-CH2 3.68Å; Y74-W195 HydrophobicContact CE2-CZ2 4.02Å; Y74-W195 HydrophobicContact CE2-CZ3 4.03Å; Y74-W195 HydrophobicContact CG-CD2 4.22Å; Y74-W195 AromaticContact CG-CE2 4Å; Y74-W195 HydrophobicContact CG-CE3 4.47Å; Y74-W195 HydrophobicContact CG-CH2 4.39Å; Y74-W195 HydrophobicContact CG-CZ2 4.1Å; Y74-H197 PolarHBondContact N-O 3.19Å; Y74-F198 HydrophobicContact CD1-CB 4.33Å
75S90.9Very high84.8Confident0 Ų048 Ų480%024%0.24CC..EExtended strand (participates in β ladder)trans-69.5-13.2-175.453.90000115.2F52 V73 V77 W147 R172F52-S75 PolarHBondContact N-O 3.07Å; V73-S75 PolarHBondContact O-N 3.09Å; S75-V77 VanDerWaalsContact C-N 3.31Å; S75-V77 PolarHBondContact O-N 3.42Å; S75-W147 PolarHBondContact OG-NE1 2.74Å; S75-R172 VanDerWaalsContact CB-O 3.3Å; S75-R172 WeakPolarHBondContact CB-O 3.3Å; S75-R172 PolarHBondContact N-O 3.02Å; S75-R172 PolarHBondContact OG-O 2.68Å
76G92Very high83.6Confident0 Ų053.4 Ų53.40%027%0.266CS..EExtended strand (participates in β ladder)trans79.410.5178.400000115.1A50 Y74A50-G76 WeakPolarHBondContact O-CA 3.27Å; Y74-G76 VanDerWaalsContact CE1-CA 3.45Å; Y74-G76 PolarHBondContact O-N 3.49Å
77V89.3Confident82.7Confident2 Ų251.1 Ų51.11%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-129132.1179.5-176.10000109.4R51 S75 I111 W147R51-V77 HydrophobicContact CB-CG2 4.48Å; R51-V77 HydrophobicContact CG-CG2 3.74Å; S75-V77 VanDerWaalsContact C-N 3.31Å; S75-V77 PolarHBondContact O-N 3.42Å; V77-I111 HydrophobicContact CG1-CB 4.19Å; V77-I111 HydrophobicContact CG1-CD1 4.36Å; V77-I111 HydrophobicContact CG1-CG2 4.34Å; V77-W147 HydrophobicContact CB-CD2 4.23Å; V77-W147 HydrophobicContact CB-CH2 4.42Å; V77-W147 HydrophobicContact CB-CZ2 4Å; V77-W147 HydrophobicContact CG1-CD2 4.11Å; V77-W147 HydrophobicContact CG1-CE3 3.96Å; V77-W147 HydrophobicContact CG1-CH2 3.96Å; V77-W147 HydrophobicContact CG1-CZ2 4.05Å; V77-W147 HydrophobicContact CG1-CZ3 3.91Å
78Q89Confident81.7Confident2 Ų252.6 Ų52.61%0.00925%0.251CS..EExtended strand (participates in β ladder)trans-111.6127172.1-63.5-175.1-41.200109.6G30 L33 Y74 I80 I111 R112 P169 K170G30-Q78 PolarHBondContact O-NE2 3.14Å; G30-Q78 VanDerWaalsContact O-NE2 3.07Å; L33-Q78 HydrophobicContact CB-CG 4.04Å; L33-Q78 HydrophobicContact CD2-CG 4.26Å; Y74-Q78 VanDerWaalsContact OH-CG 3.27Å; Y74-Q78 WeakPolarHBondContact OH-CG 3.47Å; Q78-I80 HydrophobicContact CB-CG2 4.19Å; Q78-I111 CarbonylContact O-C 3.39Å; Q78-I111 WeakPolarHBondContact O-CA 3.46Å; Q78-R112 HydrophobicContact CB-CB 4.36Å; Q78-R112 PolarHBondContact N-O 2.87Å; Q78-R112 PolarHBondContact O-N 3.14Å; Q78-P169 HydrophobicContact CB-CB 4.13Å; Q78-P169 HydrophobicContact CG-CB 4.43Å; Q78-K170 CarbonylContact C-O 3.56Å; Q78-K170 WeakPolarHBondContact CA-O 3.37Å
79L86.7Confident80.6Confident0 Ų052 Ų520%025%0.252CS..EExtended strand (participates in β ladder)trans-80.6122.4161.5-177.375.5000107.3N109 I111 W147 F162 Y168 P169 K170 L187L79-N109 HydrophobicContact CD1-CB 3.85Å; L79-I111 HydrophobicContact CD1-CG2 3.99Å; L79-W147 HydrophobicContact CB-CH2 4.27Å; L79-F162 HydrophobicContact CD1-CZ 4.16Å; L79-F162 HydrophobicContact CD2-CE2 3.64Å; L79-F162 HydrophobicContact CD2-CZ 3.71Å; L79-Y168 HydrophobicContact CD2-CE1 3.89Å; L79-Y168 HydrophobicContact CG-CE1 3.91Å; L79-Y168 VanDerWaalsContact O-CD1 3.28Å; L79-Y168 WeakPolarHBondContact O-CD1 3.38Å; L79-P169 CarbonylContact O-C 3.59Å; L79-P169 WeakPolarHBondContact O-CA 3.01Å; L79-K170 HydrophobicContact CB-CB 4.27Å; L79-K170 PolarHBondContact N-O 2.84Å; L79-K170 PolarHBondContact O-N 2.76Å; L79-L187 HydrophobicContact CD2-CD1 4.5Å
80I86.8Confident79.2Confident59 Ų5954 Ų5430%0.30325%0.251SS..  trans-105.5-5.7-172.962.5171.2000113.6Q78 P110 R112 V121 Y168 P169Q78-I80 HydrophobicContact CB-CG2 4.19Å; I80-P110 HydrophobicContact CD1-CB 3.95Å; I80-P110 HydrophobicContact CD1-CG 4.48Å; I80-P110 HydrophobicContact CG1-CB 3.58Å; I80-P110 HydrophobicContact CG1-CG 3.76Å; I80-P110 WeakPolarHBondContact CG1-O 3.36Å; I80-P110 PolarHBondContact N-O 2.9Å; I80-R112 HydrophobicContact CG2-CB 3.8Å; I80-V121 HydrophobicContact CD1-CG1 3.89Å; I80-V121 HydrophobicContact CD1-CG2 4.01Å; I80-Y168 VanDerWaalsContact C-CD1 3.41Å; I80-P169 HydrophobicContact CG2-CB 4.42Å
81G81Confident77.5Confident14 Ų1454 Ų5414%0.14425%0.246CC..  trans-168.4168.3176.200000112Y168G81-Y168 VanDerWaalsContact C-CZ 3.43Å; G81-Y168 VanDerWaalsContact CA-CE1 3.45Å; G81-Y168 VanDerWaalsContact N-CE1 3.34Å
82T70.6Confident75.4Confident43 Ų4356.1 Ų56.126%0.26427%0.268SS..SBendtrans-79.2-57175.244.60000110.2N109 F162 Y168T82-N109 WeakPolarHBondContact O-CB 3.19Å; T82-N109 PolarHBondContact O-OD1 3.03Å; T82-F162 HydrophobicContact CG2-CD1 4.44Å; T82-F162 WeakPolarHBondContact CG2-O 3.34Å; T82-F162 WeakPolarHBondContact O-CE1 3.24Å; T82-Y168 WeakPolarHBondContact CA-OH 3.44Å; T82-Y168 HydrophobicContact CG2-CE2 3.98Å; T82-Y168 WeakPolarHBondContact CG2-OH 3.4Å; T82-Y168 PolarHBondContact N-OH 3Å
83E66.8Low73.3Confident59 Ų5961.3 Ų61.328%0.27629%0.288SS..  trans-149.3109.1-162.3-67172.7179.400110.8Q86 E108 R126 R163E83-Q86 PolarHBondContact OE2-NE2 2.82Å; E83-E108 WeakPolarHBondContact CA-O 3.49Å; E83-R126 IonicContact OE1-CZ 3.87Å; E83-R126 IonicContact OE1-NH2 3.26Å; E83-R126 PolarHBondContact OE1-NH2 3.25Å; E83-R163 IonicContact OE1-CZ 2.96Å
84L57.7Low71Confident108 Ų10868 Ų6857%0.56532%0.317SS*.SBendtrans-77.2-41.3169.4-75.4178.2000111.2E108 P110 V123L84-E108 HydrophobicContact CB-CB 4.4Å; L84-E108 PolarHBondContact N-O 3.48Å; L84-P110 HydrophobicContact CD1-CB 3.83Å; L84-P110 HydrophobicContact CD1-CG 4.24Å; L84-P110 HydrophobicContact CD2-CG 4.3Å; L84-P110 HydrophobicContact CG-CB 4.07Å; L84-P110 HydrophobicContact CG-CG 3.9Å; L84-V123 HydrophobicContact CD1-CG1 3.9Å
85K66.3Low68.6Low121 Ų12174.9 Ų74.953%0.52635%0.35SS..EExtended strand (participates in β ladder)trans-150.9138.8-176.8-169.1176179.4-176.70109.9S107 E108K85-S107 WeakPolarHBondContact O-CA 3.22Å; K85-E108 PolarHBondContact O-N 2.75Å
86Q62.7Low66.6Low114 Ų11480.9 Ų80.953%0.53338%0.38SS..EExtended strand (participates in β ladder)trans-107.5138.8166.4-68.4-174.6-1.700109.1E83 C106E83-Q86 PolarHBondContact OE2-NE2 2.82Å; Q86-C106 WeakPolarHBondContact CA-O 3.3Å
87Y70.1Confident65.1Low54 Ų5483.9 Ų83.921%0.21241%0.411CS..EExtended strand (participates in β ladder)trans-150.4165175.263.5-96.4000110.6E89 C106 E108 F125Y87-E89 HydrophobicContact CD2-CB 4.38Å; Y87-E89 HydrophobicContact CD2-CG 4.17Å; Y87-E89 HydrophobicContact CE2-CB 3.96Å; Y87-E89 VanDerWaalsContact CE2-CD 3.42Å; Y87-E89 HydrophobicContact CE2-CG 3.55Å; Y87-E89 WeakPolarHBondContact CE2-OE1 3.35Å; Y87-E89 VanDerWaalsContact CZ-OE1 3.31Å; Y87-E89 PolarHBondContact OH-OE1 2.65Å; Y87-C106 HydrophobicContact CD1-CB 4.48Å; Y87-C106 HydrophobicContact CD2-CB 3.91Å; Y87-C106 HydrophobicContact CE1-CB 4.07Å; Y87-C106 HydrophobicContact CE2-CB 3.37Å; Y87-C106 HydrophobicContact CG-CB 4.42Å; Y87-C106 PolarHBondContact N-O 3.21Å; Y87-C106 PolarHBondContact O-N 3.03Å; Y87-E108 HydrophobicContact CE1-CG 3.94Å; Y87-F125 VanDerWaalsContact OH-CD1 3.31Å; Y87-F125 WeakPolarHBondContact OH-CD1 3.35Å
88R64.3Low63.5Low189 Ų18993 Ų9371%0.71345%0.453SS*.EExtended strand (participates in β ladder)trans-99.5132171.6-85.4-175.5-104.7-138.3-2.4109.3F104R88-F104 WeakPolarHBondContact CA-O 3.33Å
89E65.2Low61.7Low71 Ų71102.7 Ų102.733%0.33249%0.49SS..EExtended strand (participates in β ladder)trans-118.2129.1173.9-118.3173.2-138.800108.3Y87 F91 F104Y87-E89 HydrophobicContact CD2-CB 4.38Å; Y87-E89 HydrophobicContact CD2-CG 4.17Å; Y87-E89 HydrophobicContact CE2-CB 3.96Å; Y87-E89 VanDerWaalsContact CE2-CD 3.42Å; Y87-E89 HydrophobicContact CE2-CG 3.55Å; Y87-E89 WeakPolarHBondContact CE2-OE1 3.35Å; Y87-E89 VanDerWaalsContact CZ-OE1 3.31Å; Y87-E89 PolarHBondContact OH-OE1 2.65Å; E89-F91 HydrophobicContact CB-CD2 4.37Å; E89-F91 HydrophobicContact CB-CE2 3.99Å; E89-F91 WeakPolarHBondContact OE2-CE2 3.42Å; E89-F91 WeakPolarHBondContact OE2-CZ 3.44Å; E89-F104 PolarHBondContact N-O 3.04Å; E89-F104 PolarHBondContact O-N 3.03Å
90E59.9Low60.1Low130 Ų130104.5 Ų104.561%0.60750%0.502SS*.EExtended strand (participates in β ladder)trans-91.2113.2175.4-68.9178.6168.700108.4P100E90-P100 HydrophobicContact CB-CB 4.08Å; E90-P100 HydrophobicContact CB-CG 3.88Å; E90-P100 VanDerWaalsContact CD-CG 3.47Å; E90-P100 HydrophobicContact CG-CG 3.89Å; E90-P100 WeakPolarHBondContact OE2-CG 3.41Å
91F55.8Low58.6Low57 Ų57106.7 Ų106.725%0.2551%0.509CS..EExtended strand (participates in β ladder)trans-93.7106.3173.8-79.4-95.7000109E89 W93 F102 F104E89-F91 HydrophobicContact CB-CD2 4.37Å; E89-F91 HydrophobicContact CB-CE2 3.99Å; E89-F91 WeakPolarHBondContact OE2-CE2 3.42Å; E89-F91 WeakPolarHBondContact OE2-CZ 3.44Å; F91-W93 AromaticContact CD1-NE1 3.89Å; F91-W93 PolarHBondContact O-N 2.77Å; F91-F102 PolarHBondContact N-O 2.83Å; F91-F102 VanDerWaalsContact N-O 3.16Å; F91-F104 HydrophobicContact CB-CD2 4.01Å; F91-F104 HydrophobicContact CB-CE2 3.86Å; F91-F104 HydrophobicContact CD2-CB 4.15Å; F91-F104 AromaticContact CD2-CD2 3.26Å; F91-F104 HydrophobicContact CD2-CD2 3.26Å; F91-F104 AromaticContact CD2-CE2 3.79Å; F91-F104 HydrophobicContact CD2-CE2 3.79Å; F91-F104 AromaticContact CD2-CG 3.81Å; F91-F104 HydrophobicContact CD2-CG 3.81Å; F91-F104 HydrophobicContact CE2-CB 4.21Å; F91-F104 HydrophobicContact CE2-CD2 4.02Å; F91-F104 HydrophobicContact CE2-CG 4.11Å; F91-F104 AromaticContact CG-CD2 3.94Å; F91-F104 HydrophobicContact CG-CD2 3.94Å; F91-F104 HydrophobicContact CG-CE2 4.02Å
92G48.9Very low57.6Low46 Ų46107.7 Ų107.747%0.47451%0.51SS..EExtended strand (participates in β ladder)trans-91.629.7-172.600000116.4F94G92-F94 PolarHBondContact O-N 2.82Å
93W48.6Very low57.3Low219 Ų219109.3 Ų109.383%0.8352%0.517SS*.EExtended strand (participates in β ladder)trans-67.8-19.8178.6-58.999.8000113.2F91F91-W93 AromaticContact CD1-NE1 3.89Å; F91-W93 PolarHBondContact O-N 2.77Å
94F44.6Very low57.3Low140 Ų140106.7 Ų106.761%0.61450%0.504SS*.EExtended strand (participates in β ladder)trans-129.7117.2173.4-65.2-88000108.4G92 F101 F102G92-F94 PolarHBondContact O-N 2.82Å; F94-F101 HydrophobicContact CB-CB 4.25Å; F94-F101 VanDerWaalsContact O-CB 3.22Å; F94-F101 WeakPolarHBondContact O-CB 3.46Å; F94-F101 PolarHBondContact O-N 3.36Å; F94-F102 HydrophobicContact CB-CE2 4.44Å; F94-F102 HydrophobicContact CD2-CE2 4.04Å
95Q42.8Very low57.9Low145 Ų145109.1 Ų109.168%0.67851%0.506SS*.EExtended strand (participates in β ladder)trans-103.1128168.6-74.7-178.1-32.300108
96I48.9Very low58.3Low126 Ų126103.4 Ų103.465%0.64648%0.481SS*.EExtended strand (participates in β ladder)trans-113.4105.4161.7-57.8-172.7000105.9F101I96-F101 HydrophobicContact CD1-CD2 3.78Å; I96-F101 HydrophobicContact CD1-CE2 3.46Å; I96-F101 VanDerWaalsContact CD1-CE2 3.46Å; I96-F101 HydrophobicContact CD1-CZ 4.45Å; I96-F101 HydrophobicContact CG1-CD2 3.95Å; I96-F101 HydrophobicContact CG1-CE2 4.16Å
97G61Low58.8Low63 Ų6398.1 Ų98.165%0.64946%0.457SS*.THydrogen-bonded Turntrans66-142.5-166.300000111.7
98E56.5Low59.2Low192 Ų19297.7 Ų97.790%0.89746%0.457SS*.THydrogen-bonded Turntrans-90.14.6-175.9-65.4-178.8175.200114.7
99R51Low60Low207 Ų20788.7 Ų88.778%0.78142%0.423SS*.EExtended strand (participates in β ladder)trans-106.1128.9-176.9-64.5-172.6-177-177.32111.6F101R99-F101 PolarHBondContact O-N 3.36Å
100P52.5Low60.9Low38 Ų3885.7 Ų85.725%0.24741%0.41CS..EExtended strand (participates in β ladder)trans-62.5134.4170.322.9-27.2000109.9E90 F102E90-P100 HydrophobicContact CB-CB 4.08Å; E90-P100 HydrophobicContact CB-CG 3.88Å; E90-P100 VanDerWaalsContact CD-CG 3.47Å; E90-P100 HydrophobicContact CG-CG 3.89Å; E90-P100 WeakPolarHBondContact OE2-CG 3.41Å; P100-F102 VanDerWaalsContact C-N 3.34Å; P100-F102 PolarHBondContact O-N 3.49Å
101F55.8Low62.2Low105 Ų10579.6 Ų79.646%0.46138%0.381SS..EExtended strand (participates in β ladder)trans-75.1-20.7-170.2-160.9-95.5000113.8F94 I96 R99F94-F101 HydrophobicContact CB-CB 4.25Å; F94-F101 VanDerWaalsContact O-CB 3.22Å; F94-F101 WeakPolarHBondContact O-CB 3.46Å; F94-F101 PolarHBondContact O-N 3.36Å; I96-F101 HydrophobicContact CD1-CD2 3.78Å; I96-F101 HydrophobicContact CD1-CE2 3.46Å; I96-F101 VanDerWaalsContact CD1-CE2 3.46Å; I96-F101 HydrophobicContact CD1-CZ 4.45Å; I96-F101 HydrophobicContact CG1-CD2 3.95Å; I96-F101 HydrophobicContact CG1-CE2 4.16Å; R99-F101 PolarHBondContact O-N 3.36Å
102F60.4Low63.8Low34 Ų3479.3 Ų79.315%0.14938%0.379CS..EExtended strand (participates in β ladder)trans-128.7116-174.2-58.4-90.8000114F91 F94 P100 F104 H129 L131F91-F102 PolarHBondContact N-O 2.83Å; F91-F102 VanDerWaalsContact N-O 3.16Å; F94-F102 HydrophobicContact CB-CE2 4.44Å; F94-F102 HydrophobicContact CD2-CE2 4.04Å; P100-F102 VanDerWaalsContact C-N 3.34Å; P100-F102 PolarHBondContact O-N 3.49Å; F102-F104 HydrophobicContact CB-CD2 3.94Å; F102-F104 HydrophobicContact CB-CE2 3.38Å; F102-F104 HydrophobicContact CB-CZ 4.27Å; F102-F104 HydrophobicContact CD1-CE2 4.45Å; F102-F104 HydrophobicContact CG-CE2 4.12Å; F102-H129 WeakPolarHBondContact CA-NE2 3.49Å; F102-H129 AromaticContact CD1-CD2 3.88Å; F102-H129 AromaticContact CD1-CE1 3.8Å; F102-H129 AromaticContact CD1-NE2 3.67Å; F102-L131 HydrophobicContact CD1-CD1 3.81Å; F102-L131 HydrophobicContact CE1-CD1 3.25Å; F102-L131 HydrophobicContact CZ-CD1 4.21Å
103N62.8Low65.7Low78 Ų7879.3 Ų79.342%0.41737%0.365SS..EExtended strand (participates in β ladder)trans-95103.3170.1-86-52.4000110.8H129N103-H129 PolarHBondContact N-CD2 2.74Å; N103-H129 PolarHBondContact N-NE2 2.76Å; N103-H129 PolarHBondContact O-CD2 2.93Å
104F67.4Low67.6Low3 Ų369.1 Ų69.11%0.01333%0.327CS..EExtended strand (participates in β ladder)trans-89.3135.4175.6-72.7-98.8000110.5R88 E89 F91 F102 C127 H129 Y142R88-F104 WeakPolarHBondContact CA-O 3.33Å; E89-F104 PolarHBondContact N-O 3.04Å; E89-F104 PolarHBondContact O-N 3.03Å; F91-F104 HydrophobicContact CB-CD2 4.01Å; F91-F104 HydrophobicContact CB-CE2 3.86Å; F91-F104 HydrophobicContact CD2-CB 4.15Å; F91-F104 AromaticContact CD2-CD2 3.26Å; F91-F104 HydrophobicContact CD2-CD2 3.26Å; F91-F104 AromaticContact CD2-CE2 3.79Å; F91-F104 HydrophobicContact CD2-CE2 3.79Å; F91-F104 AromaticContact CD2-CG 3.81Å; F91-F104 HydrophobicContact CD2-CG 3.81Å; F91-F104 HydrophobicContact CE2-CB 4.21Å; F91-F104 HydrophobicContact CE2-CD2 4.02Å; F91-F104 HydrophobicContact CE2-CG 4.11Å; F91-F104 AromaticContact CG-CD2 3.94Å; F91-F104 HydrophobicContact CG-CD2 3.94Å; F91-F104 HydrophobicContact CG-CE2 4.02Å; F102-F104 HydrophobicContact CB-CD2 3.94Å; F102-F104 HydrophobicContact CB-CE2 3.38Å; F102-F104 HydrophobicContact CB-CZ 4.27Å; F102-F104 HydrophobicContact CD1-CE2 4.45Å; F102-F104 HydrophobicContact CG-CE2 4.12Å; F104-C127 HydrophobicContact CB-CB 4.04Å; F104-C127 HydrophobicContact CD1-CB 4.01Å; F104-C127 HydrophobicContact CG-CB 4.35Å; F104-H129 HydrophobicContact CD1-CB 3.37Å; F104-H129 HydrophobicContact CD2-CB 4.14Å; F104-H129 HydrophobicContact CE1-CB 3.18Å; F104-H129 HydrophobicContact CE2-CB 4.06Å; F104-H129 HydrophobicContact CG-CB 3.84Å; F104-H129 HydrophobicContact CZ-CB 3.55Å; F104-Y142 AromaticContact CD1-CD2 3.97Å; F104-Y142 HydrophobicContact CD1-CD2 3.97Å; F104-Y142 HydrophobicContact CD1-CE2 4.41Å; F104-Y142 AromaticContact CE1-CD2 3.31Å; F104-Y142 HydrophobicContact CE1-CD2 3.31Å; F104-Y142 AromaticContact CE1-CE2 3.37Å; F104-Y142 HydrophobicContact CE1-CE2 3.37Å; F104-Y142 HydrophobicContact CE2-CE2 4.43Å; F104-Y142 AromaticContact CZ-CD2 3.8Å; F104-Y142 HydrophobicContact CZ-CD2 3.8Å; F104-Y142 AromaticContact CZ-CE2 3.4Å; F104-Y142 HydrophobicContact CZ-CE2 3.4Å
105R70Confident69.6Low159 Ų15964 Ų6460%0.631%0.308SS*.EExtended strand (participates in β ladder)trans-84.8112.7162.6-69-173.4-170.2176.32108.1C127 V128R105-C127 CarbonylContact O-C 3.56Å; R105-C127 WeakPolarHBondContact O-CA 3.46Å; R105-V128 PolarHBondContact N-O 2.58Å; R105-V128 PolarHBondContact O-N 3.34Å
106C74.4Confident71.2Confident1 Ų162.5 Ų62.51%0.00730%0.296CS..EExtended strand (participates in β ladder)trans-103.1147.1179.2-61.80000111.5Q86 Y87 R126 C127Q86-C106 WeakPolarHBondContact CA-O 3.3Å; Y87-C106 HydrophobicContact CD1-CB 4.48Å; Y87-C106 HydrophobicContact CD2-CB 3.91Å; Y87-C106 HydrophobicContact CE1-CB 4.07Å; Y87-C106 HydrophobicContact CE2-CB 3.37Å; Y87-C106 HydrophobicContact CG-CB 4.42Å; Y87-C106 PolarHBondContact N-O 3.21Å; Y87-C106 PolarHBondContact O-N 3.03Å; C106-R126 CarbonylContact C-O 3.59Å; C106-R126 WeakPolarHBondContact CA-O 3.25Å; C106-C127 HydrophobicContact CB-CB 4.21Å; C106-C127 WeakPolarHBondContact CB-SG 3.39Å; C106-C127 WeakPolarHBondContact SG-CB 3.4Å; C106-C127 CovalentContact SG-SG 2.04Å; C106-C127 PolarHBondContact SG-SG 3.01Å
107S74.4Confident72.4Confident4 Ų461.6 Ų61.63%0.02829%0.292CS..EExtended strand (participates in β ladder)trans-131.6131.3175.8-49.90000109.3K85 N109 R126K85-S107 WeakPolarHBondContact O-CA 3.22Å; S107-N109 PolarHBondContact O-ND2 3.17Å; S107-N109 VanDerWaalsContact O-ND2 3.09Å; S107-R126 PolarHBondContact N-O 2.78Å; S107-R126 PolarHBondContact O-N 2.94Å; S107-R126 PolarHBondContact OG-NH2 2.97Å
108E78.7Confident73.4Confident44 Ų4464.4 Ų64.421%0.20629%0.288CS..EExtended strand (participates in β ladder)trans-87.6119.3168.6-67.4179-162.700109.3E83 L84 K85 Y87 V123 F125E83-E108 WeakPolarHBondContact CA-O 3.49Å; L84-E108 HydrophobicContact CB-CB 4.4Å; L84-E108 PolarHBondContact N-O 3.48Å; K85-E108 PolarHBondContact O-N 2.75Å; Y87-E108 HydrophobicContact CE1-CG 3.94Å; E108-V123 HydrophobicContact CB-CB 4.3Å; E108-V123 HydrophobicContact CB-CG1 4.28Å; E108-F125 HydrophobicContact CG-CD1 3.89Å; E108-F125 HydrophobicContact CG-CE1 3.68Å
109N79.6Confident74.7Confident0 Ų056.8 Ų56.80%025%0.253CS..EExtended strand (participates in β ladder)trans-112.3123-178.6-34.8-95.3000107.7L79 T82 S107 V123 V124 F162L79-N109 HydrophobicContact CD1-CB 3.85Å; T82-N109 WeakPolarHBondContact O-CB 3.19Å; T82-N109 PolarHBondContact O-OD1 3.03Å; S107-N109 PolarHBondContact O-ND2 3.17Å; S107-N109 VanDerWaalsContact O-ND2 3.09Å; N109-V123 WeakPolarHBondContact O-CA 3.32Å; N109-V124 HydrophobicContact CB-CG2 3.82Å; N109-V124 PolarHBondContact N-O 2.04Å; N109-V124 PolarHBondContact ND2-O 3.44Å; N109-V124 WeakPolarHBondContact O-CG2 3.35Å; N109-V124 PolarHBondContact O-N 3.06Å; N109-F162 HydrophobicContact CB-CE1 4.25Å; N109-F162 HydrophobicContact CB-CZ 3.79Å; N109-F162 WeakPolarHBondContact OD1-CE1 3.39Å; N109-F162 WeakPolarHBondContact OD1-CZ 3.36Å
110P85.7Confident76.3Confident9 Ų947.9 Ų47.96%0.05822%0.222CC..EExtended strand (participates in β ladder)trans-76.3132.4-174.628.5-31.9000110.9I80 L84 V121 S122I80-P110 HydrophobicContact CD1-CB 3.95Å; I80-P110 HydrophobicContact CD1-CG 4.48Å; I80-P110 HydrophobicContact CG1-CB 3.58Å; I80-P110 HydrophobicContact CG1-CG 3.76Å; I80-P110 WeakPolarHBondContact CG1-O 3.36Å; I80-P110 PolarHBondContact N-O 2.9Å; L84-P110 HydrophobicContact CD1-CB 3.83Å; L84-P110 HydrophobicContact CD1-CG 4.24Å; L84-P110 HydrophobicContact CD2-CG 4.3Å; L84-P110 HydrophobicContact CG-CB 4.07Å; L84-P110 HydrophobicContact CG-CG 3.9Å; P110-V121 HydrophobicContact CB-CG1 4.19Å; P110-S122 WeakPolarHBondContact CA-O 2.7Å
111I86.8Confident77.9Confident1 Ų150.3 Ų50.31%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-119145.2173.558.9158.6000110.8V77 Q78 L79 Y113 V121 S122 V124 W147V77-I111 HydrophobicContact CG1-CB 4.19Å; V77-I111 HydrophobicContact CG1-CD1 4.36Å; V77-I111 HydrophobicContact CG1-CG2 4.34Å; Q78-I111 CarbonylContact O-C 3.39Å; Q78-I111 WeakPolarHBondContact O-CA 3.46Å; L79-I111 HydrophobicContact CD1-CG2 3.99Å; I111-Y113 HydrophobicContact CD1-CD1 4.29Å; I111-V121 CarbonylContact O-C 3.56Å; I111-V121 VanDerWaalsContact O-CA 3.32Å; I111-V121 WeakPolarHBondContact O-CA 3.43Å; I111-S122 PolarHBondContact N-O 2.01Å; I111-S122 PolarHBondContact O-N 3.46Å; I111-V124 HydrophobicContact CD1-CG1 3.67Å; I111-V124 HydrophobicContact CG1-CG1 4.04Å; I111-V124 HydrophobicContact CG2-CB 4.45Å; I111-V124 HydrophobicContact CG2-CG1 3.84Å; I111-V124 HydrophobicContact CG2-CG2 3.78Å; I111-W147 HydrophobicContact CG2-CZ3 4.4Å
112R88.6Confident79.2Confident52 Ų5247.4 Ų47.420%0.19623%0.229CC..EExtended strand (participates in β ladder)trans-115137.6171.4-166.4-173.9174.9-1671108.6L33 E34 Q78 I80 L119L33-R112 HydrophobicContact CD2-CB 4.07Å; L33-R112 HydrophobicContact CD2-CG 3.65Å; E34-R112 IonicContact OE2-NH2 3.36Å; E34-R112 PolarHBondContact OE2-NH2 2.79Å; Q78-R112 HydrophobicContact CB-CB 4.36Å; Q78-R112 PolarHBondContact N-O 2.87Å; Q78-R112 PolarHBondContact O-N 3.14Å; I80-R112 HydrophobicContact CG2-CB 3.8Å; R112-L119 HydrophobicContact CG-CB 4.44Å
113Y89.9Confident80.1Confident46 Ų4647.7 Ų47.718%0.1823%0.233CC..EExtended strand (participates in β ladder)trans-145.517517659.6-82.9000109.1R51 I111 T115 L119 P120R51-Y113 VanDerWaalsContact NH1-CD1 3.31Å; I111-Y113 HydrophobicContact CD1-CD1 4.29Å; Y113-T115 HydrophobicContact CD2-CG2 4.28Å; Y113-T115 HydrophobicContact CE2-CG2 3.82Å; Y113-L119 CarbonylContact O-C 3.56Å; Y113-L119 WeakPolarHBondContact O-CA 3.11Å; Y113-P120 HydrophobicContact CD1-CG 4.48Å; Y113-P120 HydrophobicContact CD2-CG 4.05Å; Y113-P120 HydrophobicContact CE1-CG 3.95Å; Y113-P120 HydrophobicContact CE2-CG 3.48Å; Y113-P120 VanDerWaalsContact CE2-CG 3.48Å; Y113-P120 VanDerWaalsContact CZ-CG 3.41Å; Y113-P120 PolarHBondContact N-O 3.42Å; Y113-P120 WeakPolarHBondContact O-CD 3.42Å
114A88.8Confident80.7Confident4 Ų444 Ų443%0.03321%0.214CC..  trans-103.1142.1-18000000112.7L33 N37 H48 V49 L119L33-A114 HydrophobicContact CD1-CB 3.99Å; N37-A114 HydrophobicContact CB-CB 4.1Å; N37-A114 WeakPolarHBondContact OD1-CB 3.34Å; H48-A114 HydrophobicContact CB-CB 4.44Å; V49-A114 HydrophobicContact CB-CB 3.95Å; A114-L119 HydrophobicContact CB-CD2 3.67Å
115T85.8Confident81Confident34 Ų3447.3 Ų47.321%0.20923%0.228CC..  trans-121.8176.3162.969.80000108.8H48 Y113 L117 E118 P120H48-T115 VanDerWaalsContact CB-C 3.5Å; H48-T115 WeakPolarHBondContact CB-O 3.36Å; Y113-T115 HydrophobicContact CD2-CG2 4.28Å; Y113-T115 HydrophobicContact CE2-CG2 3.82Å; T115-L117 PolarHBondContact O-N 3.41Å; T115-L117 PolarHBondContact OG1-N 3.28Å; T115-E118 PolarHBondContact N-O 2.71Å; T115-E118 PolarHBondContact OG1-N 3.3Å; T115-E118 PolarHBondContact OG1-O 3.12Å; T115-P120 HydrophobicContact CG2-CG 3.72Å
116W76.2Confident81Confident112 Ų11240 Ų4042%0.42420%0.2SC..SBendtrans-68.4-21.1177.967.8-85.3000113.9W337W116-W337 AromaticContact CZ3-CD1 3.73Å; W116-W337 AromaticContact CZ3-NE1 3.96Å
117L73.8Confident80.8Confident108 Ų10840.2 Ų40.257%0.56520%0.202SC*.SBendtrans-99.8-47178.2-77.3170.9000112.5T115T115-L117 PolarHBondContact O-N 3.41Å; T115-L117 PolarHBondContact OG1-N 3.28Å
118E81.5Confident80.6Confident121 Ų12141.1 Ų41.157%0.56521%0.207SC*.  trans-146.6173.7-162.554.7172.5-161.700112.4T115 P120T115-E118 PolarHBondContact N-O 2.71Å; T115-E118 PolarHBondContact OG1-N 3.3Å; T115-E118 PolarHBondContact OG1-O 3.12Å; E118-P120 VanDerWaalsContact C-CD 3.41Å; E118-P120 WeakPolarHBondContact O-CD 3.02Å
119L85.2Confident80Confident32 Ų3239.8 Ų39.817%0.16820%0.201CC..  trans-109.274.2174.9-63.2174.4000108.6L33 E34 N37 R112 Y113 A114L33-L119 HydrophobicContact CD2-CD2 4.28Å; L33-L119 HydrophobicContact CG-CD2 4.09Å; E34-L119 HydrophobicContact CB-CD1 3.95Å; E34-L119 HydrophobicContact CG-CD1 4.04Å; N37-L119 HydrophobicContact CB-CD2 4.07Å; R112-L119 HydrophobicContact CG-CB 4.44Å; Y113-L119 CarbonylContact O-C 3.56Å; Y113-L119 WeakPolarHBondContact O-CA 3.11Å; A114-L119 HydrophobicContact CB-CD2 3.67Å
120P84.4Confident79Confident21 Ų2143 Ų4314%0.13622%0.221CC..  trans-66.5154.4-173.330.9-37.8000111Y113 T115 E118Y113-P120 HydrophobicContact CD1-CG 4.48Å; Y113-P120 HydrophobicContact CD2-CG 4.05Å; Y113-P120 HydrophobicContact CE1-CG 3.95Å; Y113-P120 HydrophobicContact CE2-CG 3.48Å; Y113-P120 VanDerWaalsContact CE2-CG 3.48Å; Y113-P120 VanDerWaalsContact CZ-CG 3.41Å; Y113-P120 PolarHBondContact N-O 3.42Å; Y113-P120 WeakPolarHBondContact O-CD 3.42Å; T115-P120 HydrophobicContact CG2-CG 3.72Å; E118-P120 VanDerWaalsContact C-CD 3.41Å; E118-P120 WeakPolarHBondContact O-CD 3.02Å
121V84.9Confident77.7Confident89 Ų8943.9 Ų43.954%0.53923%0.226SC..EExtended strand (participates in β ladder)trans-101.8127.8168.3179.30000107.8I80 P110 I111I80-V121 HydrophobicContact CD1-CG1 3.89Å; I80-V121 HydrophobicContact CD1-CG2 4.01Å; P110-V121 HydrophobicContact CB-CG1 4.19Å; I111-V121 CarbonylContact O-C 3.56Å; I111-V121 VanDerWaalsContact O-CA 3.32Å; I111-V121 WeakPolarHBondContact O-CA 3.43Å
122S83.4Confident75.9Confident43 Ų4351.8 Ų51.830%0.30126%0.26SS..EExtended strand (participates in β ladder)trans-123.7-178.7171.7-173.90000109.1P110 I111P110-S122 WeakPolarHBondContact CA-O 2.7Å; I111-S122 PolarHBondContact N-O 2.01Å; I111-S122 PolarHBondContact O-N 3.46Å
123V79.6Confident73.6Confident40 Ų4053.3 Ų53.324%0.24228%0.275CS..EExtended strand (participates in β ladder)trans-122.8140.7177.9-63.80000110.4L84 E108 N109 F125L84-V123 HydrophobicContact CD1-CG1 3.9Å; E108-V123 HydrophobicContact CB-CB 4.3Å; E108-V123 HydrophobicContact CB-CG1 4.28Å; N109-V123 WeakPolarHBondContact O-CA 3.32Å; V123-F125 HydrophobicContact CG2-CE1 4.21Å; V123-F125 HydrophobicContact CG2-CE2 4.09Å; V123-F125 HydrophobicContact CG2-CZ 3.74Å
124V76.4Confident71.7Confident2 Ų255.5 Ų55.51%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-105.7132165.3-660000107.8N109 I111 I148N109-V124 HydrophobicContact CB-CG2 3.82Å; N109-V124 PolarHBondContact N-O 2.04Å; N109-V124 PolarHBondContact ND2-O 3.44Å; N109-V124 WeakPolarHBondContact O-CG2 3.35Å; N109-V124 PolarHBondContact O-N 3.06Å; I111-V124 HydrophobicContact CD1-CG1 3.67Å; I111-V124 HydrophobicContact CG1-CG1 4.04Å; I111-V124 HydrophobicContact CG2-CB 4.45Å; I111-V124 HydrophobicContact CG2-CG1 3.84Å; I111-V124 HydrophobicContact CG2-CG2 3.78Å; V124-I148 HydrophobicContact CB-CD1 3.94Å; V124-I148 HydrophobicContact CG1-CD1 4.34Å; V124-I148 HydrophobicContact CG2-CD1 3.32Å
125F72.4Confident69.7Low72 Ų7264.4 Ų64.432%0.31634%0.341SS..EExtended strand (participates in β ladder)trans-88.4134.5-180-59.1-82.8000109.3Y87 E108 V123 W143 S144Y87-F125 VanDerWaalsContact OH-CD1 3.31Å; Y87-F125 WeakPolarHBondContact OH-CD1 3.35Å; E108-F125 HydrophobicContact CG-CD1 3.89Å; E108-F125 HydrophobicContact CG-CE1 3.68Å; V123-F125 HydrophobicContact CG2-CE1 4.21Å; V123-F125 HydrophobicContact CG2-CE2 4.09Å; V123-F125 HydrophobicContact CG2-CZ 3.74Å; F125-W143 WeakPolarHBondContact O-CA 3.39Å; F125-S144 PolarHBondContact N-OG 2.86Å; F125-S144 PolarHBondContact O-N 2.77Å; F125-S144 VanDerWaalsContact O-N 3.09Å
126R71.2Confident67.6Low5 Ų569.7 Ų69.72%0.01936%0.363CS..EExtended strand (participates in β ladder)trans-120.2114.1170.7-178.3-174.966.1174.2-5.3108.4E83 C106 S107 V128 W143 D159 F162E83-R126 IonicContact OE1-CZ 3.87Å; E83-R126 IonicContact OE1-NH2 3.26Å; E83-R126 PolarHBondContact OE1-NH2 3.25Å; C106-R126 CarbonylContact C-O 3.59Å; C106-R126 WeakPolarHBondContact CA-O 3.25Å; S107-R126 PolarHBondContact N-O 2.78Å; S107-R126 PolarHBondContact O-N 2.94Å; S107-R126 PolarHBondContact OG-NH2 2.97Å; R126-V128 HydrophobicContact CG-CG2 4.3Å; R126-W143 HydrophobicContact CB-CD2 4.25Å; R126-W143 HydrophobicContact CB-CE3 3.67Å; R126-W143 HydrophobicContact CB-CH2 3.73Å; R126-W143 HydrophobicContact CB-CZ2 4.25Å; R126-W143 HydrophobicContact CB-CZ3 3.39Å; R126-W143 VanDerWaalsContact CD-CZ2 3.49Å; R126-W143 HydrophobicContact CG-CD2 4.13Å; R126-W143 HydrophobicContact CG-CE3 3.99Å; R126-W143 HydrophobicContact CG-CH2 3.47Å; R126-W143 VanDerWaalsContact CG-CH2 3.47Å; R126-W143 HydrophobicContact CG-CZ2 3.54Å; R126-W143 HydrophobicContact CG-CZ3 3.68Å; R126-D159 IonicContact CZ-OD1 3.72Å; R126-D159 IonicContact NH1-OD1 3.18Å; R126-D159 PolarHBondContact NH1-OD1 3.41Å; R126-F162 VanDerWaalsContact NH1-CD1 3.27Å
127C69.7Low66Low5 Ų568.9 Ų68.93%0.03437%0.366CS..EExtended strand (participates in β ladder)trans-114.7129.3176.5-65.60000110.2F104 R105 C106 K141 Y142F104-C127 HydrophobicContact CB-CB 4.04Å; F104-C127 HydrophobicContact CD1-CB 4.01Å; F104-C127 HydrophobicContact CG-CB 4.35Å; R105-C127 CarbonylContact O-C 3.56Å; R105-C127 WeakPolarHBondContact O-CA 3.46Å; C106-C127 HydrophobicContact CB-CB 4.21Å; C106-C127 WeakPolarHBondContact CB-SG 3.39Å; C106-C127 WeakPolarHBondContact SG-CB 3.4Å; C106-C127 CovalentContact SG-SG 2.04Å; C106-C127 PolarHBondContact SG-SG 3.01Å; C127-K141 CarbonylContact O-C 3.43Å; C127-K141 VanDerWaalsContact O-CA 3.31Å; C127-K141 WeakPolarHBondContact O-CA 3.28Å; C127-Y142 PolarHBondContact N-O 3.18Å; C127-Y142 PolarHBondContact O-N 3.13Å
128V70.2Confident64.7Low23 Ų2368.5 Ų68.514%0.13936%0.36CS..EExtended strand (participates in β ladder)trans-123.5126.2-179.2-174.60000109.1R105 R126 L139 Y140 K141R105-V128 PolarHBondContact N-O 2.58Å; R105-V128 PolarHBondContact O-N 3.34Å; R126-V128 HydrophobicContact CG-CG2 4.3Å; V128-L139 HydrophobicContact CG1-CD2 3.75Å; V128-Y140 CarbonylContact C-O 3.5Å; V128-Y140 WeakPolarHBondContact CA-O 3.05Å; V128-K141 HydrophobicContact CG2-CG 4.32Å
129H65.1Low63.1Low17 Ų1765 Ų658%0.07935%0.345CS..EExtended strand (participates in β ladder)trans-117.4118.7172-177.6-69.6000110.6F102 N103 F104 L131 L139 Y140F102-H129 WeakPolarHBondContact CA-NE2 3.49Å; F102-H129 AromaticContact CD1-CD2 3.88Å; F102-H129 AromaticContact CD1-CE1 3.8Å; F102-H129 AromaticContact CD1-NE2 3.67Å; N103-H129 PolarHBondContact N-CD2 2.74Å; N103-H129 PolarHBondContact N-NE2 2.76Å; N103-H129 PolarHBondContact O-CD2 2.93Å; F104-H129 HydrophobicContact CD1-CB 3.37Å; F104-H129 HydrophobicContact CD2-CB 4.14Å; F104-H129 HydrophobicContact CE1-CB 3.18Å; F104-H129 HydrophobicContact CE2-CB 4.06Å; F104-H129 HydrophobicContact CG-CB 3.84Å; F104-H129 HydrophobicContact CZ-CB 3.55Å; H129-L131 PolarHBondContact ND1-N 2.71Å; H129-L131 PolarHBondContact O-N 3.34Å; H129-L139 WeakPolarHBondContact O-CA 3.06Å; H129-Y140 PolarHBondContact N-O 3.47Å; H129-Y140 PolarHBondContact O-N 2.93Å
130P59.4Low61.8Low66 Ų6668.1 Ų68.143%0.42936%0.355SS..EExtended strand (participates in β ladder)trans-79.7105.9169.231.5-29.6000109.5L139P130-L139 HydrophobicContact CB-CD2 4.09Å
131L58Low60.6Low28 Ų2868.8 Ų68.815%0.14736%0.356CS..EExtended strand (participates in β ladder)trans-98.6110.3168.9-152.4140.3000108.9F102 H129 V133 F138 Y140F102-L131 HydrophobicContact CD1-CD1 3.81Å; F102-L131 HydrophobicContact CE1-CD1 3.25Å; F102-L131 HydrophobicContact CZ-CD1 4.21Å; H129-L131 PolarHBondContact ND1-N 2.71Å; H129-L131 PolarHBondContact O-N 3.34Å; L131-V133 HydrophobicContact CD2-CB 4.42Å; L131-V133 HydrophobicContact CD2-CG2 3.15Å; L131-F138 WeakPolarHBondContact CA-O 3.41Å; L131-F138 HydrophobicContact CB-CB 4.38Å; L131-F138 WeakPolarHBondContact CB-O 3.49Å; L131-F138 PolarHBondContact N-O 3.11Å; L131-F138 PolarHBondContact O-N 3.4Å; L131-Y140 HydrophobicContact CB-CD2 3.99Å; L131-Y140 HydrophobicContact CB-CE2 3.76Å; L131-Y140 HydrophobicContact CD1-CD2 4.36Å; L131-Y140 HydrophobicContact CD1-CE2 3.81Å; L131-Y140 HydrophobicContact CG-CE2 4.27Å
132K49.1Very low59.3Low168 Ų16870.5 Ų70.573%0.7335%0.353SS*.EExtended strand (participates in β ladder)trans-95.584.1174-65-170.7176.8-175.60108.4I137K132-I137 HydrophobicContact CG-CG1 4.29Å
133V41.2Very low58.2Low84 Ų8469.6 Ų69.651%0.50934%0.343SS..EExtended strand (participates in β ladder)trans-76.7144.2159.1-167.10000106.5L131 F135 Q136L131-V133 HydrophobicContact CD2-CB 4.42Å; L131-V133 HydrophobicContact CD2-CG2 3.15Å; V133-F135 PolarHBondContact O-N 2.76Å; V133-Q136 PolarHBondContact O-N 2.82Å
134A49.3Very low57.4Low91 Ų9171.2 Ų71.275%0.75236%0.357SS*.THydrogen-bonded Turntrans-52.810-170.300000118.1
135F46.8Very low56.9Low192 Ų19271.4 Ų71.484%0.84236%0.358SS*.THydrogen-bonded Turntrans-1390.3179.6-80.2-79.9000116.8V133V133-F135 PolarHBondContact O-N 2.76Å
136Q41.3Very low56.6Low144 Ų14468.9 Ų68.967%0.67335%0.35SS*.EExtended strand (participates in β ladder)trans-179.7141.7171.1-100144.528.200108.6V133 F138V133-Q136 PolarHBondContact O-N 2.82Å; Q136-F138 HydrophobicContact CB-CE2 4.21Å; Q136-F138 HydrophobicContact CB-CZ 4.33Å; Q136-F138 WeakPolarHBondContact O-CD2 3.16Å; Q136-F138 PolarHBondContact O-N 3.36Å
137I43.9Very low56.5Low96 Ų9668.6 Ų68.649%0.49235%0.349SS..EExtended strand (participates in β ladder)trans-74.1112.8173.7-56.7-179.3000107.8K132 L139K132-I137 HydrophobicContact CG-CG1 4.29Å; I137-L139 HydrophobicContact CG2-CG 4.2Å
138F45.1Very low56.4Low99 Ų9968.5 Ų68.543%0.43435%0.349SS..EExtended strand (participates in β ladder)trans-91.9109.9167.6-65.1-81000108.6L131 Q136 Y140L131-F138 WeakPolarHBondContact CA-O 3.41Å; L131-F138 HydrophobicContact CB-CB 4.38Å; L131-F138 WeakPolarHBondContact CB-O 3.49Å; L131-F138 PolarHBondContact N-O 3.11Å; L131-F138 PolarHBondContact O-N 3.4Å; Q136-F138 HydrophobicContact CB-CE2 4.21Å; Q136-F138 HydrophobicContact CB-CZ 4.33Å; Q136-F138 WeakPolarHBondContact O-CD2 3.16Å; Q136-F138 PolarHBondContact O-N 3.36Å; F138-Y140 HydrophobicContact CB-CE2 4.08Å
139L49.7Very low55.9Low47 Ų4774.4 Ų74.425%0.24637%0.368CS..EExtended strand (participates in β ladder)trans-88.4111.4169.9-76.8165.8000108.7V128 H129 P130 I137 I155V128-L139 HydrophobicContact CG1-CD2 3.75Å; H129-L139 WeakPolarHBondContact O-CA 3.06Å; P130-L139 HydrophobicContact CB-CD2 4.09Å; I137-L139 HydrophobicContact CG2-CG 4.2Å; L139-I155 HydrophobicContact CB-CG2 3.39Å; L139-I155 HydrophobicContact CD1-CG2 3.62Å; L139-I155 HydrophobicContact CG-CG2 4.13Å
140Y56.6Low55.4Low99 Ų9977.3 Ų77.339%0.38838%0.384SS..EExtended strand (participates in β ladder)trans-83.2121.6168.6-65.4-90.8000108.6V128 H129 L131 F138V128-Y140 CarbonylContact C-O 3.5Å; V128-Y140 WeakPolarHBondContact CA-O 3.05Å; H129-Y140 PolarHBondContact N-O 3.47Å; H129-Y140 PolarHBondContact O-N 2.93Å; L131-Y140 HydrophobicContact CB-CD2 3.99Å; L131-Y140 HydrophobicContact CB-CE2 3.76Å; L131-Y140 HydrophobicContact CD1-CD2 4.36Å; L131-Y140 HydrophobicContact CD1-CE2 3.81Å; L131-Y140 HydrophobicContact CG-CE2 4.27Å; F138-Y140 HydrophobicContact CB-CE2 4.08Å
141K58.6Low54.9Low35 Ų3575.2 Ų75.215%0.15237%0.368CS..EExtended strand (participates in β ladder)trans-114128.1175.2-67.7-168.7-178.1179.90110.8C127 V128 I155 D158C127-K141 CarbonylContact O-C 3.43Å; C127-K141 VanDerWaalsContact O-CA 3.31Å; C127-K141 WeakPolarHBondContact O-CA 3.28Å; V128-K141 HydrophobicContact CG2-CG 4.32Å; K141-I155 VanDerWaalsContact CE-O 3.22Å; K141-I155 WeakPolarHBondContact CE-O 3.23Å; K141-I155 PolarHBondContact NZ-O 3.48Å; K141-D158 IonicContact NZ-OD2 2.64Å; K141-D158 PolarHBondContact NZ-OD2 2.99Å
142Y59.4Low54.5Low124 Ų12475.4 Ų75.449%0.48637%0.372SS..EExtended strand (participates in β ladder)trans-115.5131.5171-68.2-91.6000109.8F104 C127F104-Y142 AromaticContact CD1-CD2 3.97Å; F104-Y142 HydrophobicContact CD1-CD2 3.97Å; F104-Y142 HydrophobicContact CD1-CE2 4.41Å; F104-Y142 AromaticContact CE1-CD2 3.31Å; F104-Y142 HydrophobicContact CE1-CD2 3.31Å; F104-Y142 AromaticContact CE1-CE2 3.37Å; F104-Y142 HydrophobicContact CE1-CE2 3.37Å; F104-Y142 HydrophobicContact CE2-CE2 4.43Å; F104-Y142 AromaticContact CZ-CD2 3.8Å; F104-Y142 HydrophobicContact CZ-CD2 3.8Å; F104-Y142 AromaticContact CZ-CE2 3.4Å; F104-Y142 HydrophobicContact CZ-CE2 3.4Å; C127-Y142 PolarHBondContact N-O 3.18Å; C127-Y142 PolarHBondContact O-N 3.13Å
143W59Low54.5Low24 Ų2475.3 Ų75.39%0.09137%0.374CS..EExtended strand (participates in β ladder)trans-121.2131.1172.7-69.398.7000109F125 R126 I148 F162F125-W143 WeakPolarHBondContact O-CA 3.39Å; R126-W143 HydrophobicContact CB-CD2 4.25Å; R126-W143 HydrophobicContact CB-CE3 3.67Å; R126-W143 HydrophobicContact CB-CH2 3.73Å; R126-W143 HydrophobicContact CB-CZ2 4.25Å; R126-W143 HydrophobicContact CB-CZ3 3.39Å; R126-W143 VanDerWaalsContact CD-CZ2 3.49Å; R126-W143 HydrophobicContact CG-CD2 4.13Å; R126-W143 HydrophobicContact CG-CE3 3.99Å; R126-W143 HydrophobicContact CG-CH2 3.47Å; R126-W143 VanDerWaalsContact CG-CH2 3.47Å; R126-W143 HydrophobicContact CG-CZ2 3.54Å; R126-W143 HydrophobicContact CG-CZ3 3.68Å; W143-I148 HydrophobicContact CB-CB 4.5Å; W143-I148 HydrophobicContact CD2-CB 3.98Å; W143-I148 HydrophobicContact CD2-CG2 3.38Å; W143-I148 HydrophobicContact CE3-CB 3.8Å; W143-I148 HydrophobicContact CE3-CD1 3.84Å; W143-I148 HydrophobicContact CE3-CG1 4.39Å; W143-I148 HydrophobicContact CE3-CG2 3.39Å; W143-I148 HydrophobicContact CG-CB 4.32Å; W143-I148 HydrophobicContact CG-CG2 4.01Å; W143-I148 HydrophobicContact CH2-CD1 4.43Å; W143-I148 HydrophobicContact CH2-CG2 3.62Å; W143-I148 HydrophobicContact CZ2-CG2 3.66Å; W143-I148 HydrophobicContact CZ3-CB 4.2Å; W143-I148 HydrophobicContact CZ3-CD1 3.61Å; W143-I148 HydrophobicContact CZ3-CG1 4.48Å; W143-I148 HydrophobicContact CZ3-CG2 3.5Å; W143-F162 AromaticContact CH2-CD2 3.98Å; W143-F162 HydrophobicContact CH2-CD2 3.98Å; W143-F162 AromaticContact CH2-CE2 3.75Å; W143-F162 HydrophobicContact CH2-CE2 3.75Å; W143-F162 HydrophobicContact CH2-CZ 4.27Å; W143-F162 HydrophobicContact CZ3-CE2 4.28Å
144S62.7Low55Low74 Ų7476 Ų7652%0.51737%0.37SS..SBendtrans-72-32.5178.565.30000112.9F125F125-S144 PolarHBondContact N-OG 2.86Å; F125-S144 PolarHBondContact O-N 2.77Å; F125-S144 VanDerWaalsContact O-N 3.09Å
145S66.4Low54.9Low7 Ų774.6 Ų74.65%0.04935%0.349CS..  trans-97.4130.8-180176.30000111.7E53 W147 I148 R149E53-S145 PolarHBondContact OE2-OG 3.24Å; S145-W147 PolarHBondContact O-N 3.41Å; S145-W147 WeakPolarHBondContact OG-CB 3.33Å; S145-W147 PolarHBondContact OG-N 2.89Å; S145-I148 PolarHBondContact O-N 3.26Å; S145-R149 PolarHBondContact O-N 2.94Å
146A65.4Low55Low18 Ų1872.7 Ų72.715%0.14934%0.343CS..Hα-helixtrans-65.9-24.3175.800000112.1A54 I148 R149A54-A146 HydrophobicContact CB-CB 3.57Å; A54-A146 VanDerWaalsContact O-CB 3.26Å; A54-A146 WeakPolarHBondContact O-CB 3.43Å; A146-I148 VanDerWaalsContact C-N 3.26Å; A146-I148 PolarHBondContact O-N 3.44Å; A146-R149 PolarHBondContact O-N 3.4Å
147W68.9Low55.3Low0 Ų072.1 Ų72.10%034%0.34CS..Hα-helixtrans-64.8-26.3171.4173.982.8000113E53 S75 V77 L79 I111 S145 R172 F184 L187E53-W147 HydrophobicContact CB-CB 4.33Å; E53-W147 HydrophobicContact CG-CB 3.97Å; S75-W147 PolarHBondContact OG-NE1 2.74Å; V77-W147 HydrophobicContact CB-CD2 4.23Å; V77-W147 HydrophobicContact CB-CH2 4.42Å; V77-W147 HydrophobicContact CB-CZ2 4Å; V77-W147 HydrophobicContact CG1-CD2 4.11Å; V77-W147 HydrophobicContact CG1-CE3 3.96Å; V77-W147 HydrophobicContact CG1-CH2 3.96Å; V77-W147 HydrophobicContact CG1-CZ2 4.05Å; V77-W147 HydrophobicContact CG1-CZ3 3.91Å; L79-W147 HydrophobicContact CB-CH2 4.27Å; I111-W147 HydrophobicContact CG2-CZ3 4.4Å; S145-W147 PolarHBondContact O-N 3.41Å; S145-W147 WeakPolarHBondContact OG-CB 3.33Å; S145-W147 PolarHBondContact OG-N 2.89Å; W147-R172 HydrophobicContact CH2-CG 4.49Å; W147-R172 HydrophobicContact CZ2-CB 4.13Å; W147-R172 HydrophobicContact CZ2-CG 3.62Å; W147-R172 PolarHBondContact O-NH1 3.29Å; W147-F184 AromaticContact CD1-CE1 3.85Å; W147-L187 HydrophobicContact CH2-CD2 3.75Å; W147-L187 HydrophobicContact CZ2-CD2 4.06Å
148I67.8Low55.6Low3 Ų367.7 Ų67.72%0.01532%0.317CS..Hα-helixtrans-93.5-31.5170.5-53.9-172.2000111.2V124 W143 S145 A146 D150 Y151V124-I148 HydrophobicContact CB-CD1 3.94Å; V124-I148 HydrophobicContact CG1-CD1 4.34Å; V124-I148 HydrophobicContact CG2-CD1 3.32Å; W143-I148 HydrophobicContact CB-CB 4.5Å; W143-I148 HydrophobicContact CD2-CB 3.98Å; W143-I148 HydrophobicContact CD2-CG2 3.38Å; W143-I148 HydrophobicContact CE3-CB 3.8Å; W143-I148 HydrophobicContact CE3-CD1 3.84Å; W143-I148 HydrophobicContact CE3-CG1 4.39Å; W143-I148 HydrophobicContact CE3-CG2 3.39Å; W143-I148 HydrophobicContact CG-CB 4.32Å; W143-I148 HydrophobicContact CG-CG2 4.01Å; W143-I148 HydrophobicContact CH2-CD1 4.43Å; W143-I148 HydrophobicContact CH2-CG2 3.62Å; W143-I148 HydrophobicContact CZ2-CG2 3.66Å; W143-I148 HydrophobicContact CZ3-CB 4.2Å; W143-I148 HydrophobicContact CZ3-CD1 3.61Å; W143-I148 HydrophobicContact CZ3-CG1 4.48Å; W143-I148 HydrophobicContact CZ3-CG2 3.5Å; S145-I148 PolarHBondContact O-N 3.26Å; A146-I148 VanDerWaalsContact C-N 3.26Å; A146-I148 PolarHBondContact O-N 3.44Å; I148-D150 VanDerWaalsContact C-N 3.27Å; I148-D150 PolarHBondContact O-N 3.29Å; I148-D150 VanDerWaalsContact O-N 3.1Å; I148-Y151 WeakPolarHBondContact O-CB 3.38Å; I148-Y151 PolarHBondContact O-N 3.02Å
149R61.1Low56Low147 Ų14765.5 Ų65.556%0.55531%0.31SS*.Hα-helixtrans-54.1-35.7-174.4-165.8177.867.8-165.81114.8S145 A146 Y151 S152S145-R149 PolarHBondContact O-N 2.94Å; A146-R149 PolarHBondContact O-N 3.4Å; R149-Y151 PolarHBondContact O-N 3.19Å; R149-S152 WeakPolarHBondContact O-CB 3.35Å; R149-S152 PolarHBondContact O-N 2.8Å; R149-S152 PolarHBondContact O-OG 3.45Å
150D53Low56.2Low78 Ų7870 Ų7042%0.41733%0.328SS..THydrogen-bonded Turntrans-61.1-8.6177-159.423.9000113.6I148I148-D150 VanDerWaalsContact C-N 3.27Å; I148-D150 PolarHBondContact O-N 3.29Å; I148-D150 VanDerWaalsContact O-N 3.1Å
151Y50.1Low56Low21 Ų2168 Ų688%0.08232%0.324CS..THydrogen-bonded Turntrans-84.6-19.1174-170.8-125000113.4I148 R149 H153 K154 D158 L161I148-Y151 WeakPolarHBondContact O-CB 3.38Å; I148-Y151 PolarHBondContact O-N 3.02Å; R149-Y151 PolarHBondContact O-N 3.19Å; Y151-H153 PolarHBondContact O-N 3.36Å; Y151-K154 PolarHBondContact O-N 3.45Å; Y151-D158 HydrophobicContact CD1-CB 4.3Å; Y151-D158 HydrophobicContact CE1-CB 3.52Å; Y151-D158 WeakPolarHBondContact CE1-OD1 3.29Å; Y151-D158 WeakPolarHBondContact CE2-OD1 3.35Å; Y151-D158 VanDerWaalsContact CZ-CG 3.42Å; Y151-D158 VanDerWaalsContact OH-CA 3.29Å; Y151-D158 WeakPolarHBondContact OH-CA 3.38Å; Y151-D158 PolarHBondContact OH-OD1 2.04Å; Y151-D158 VanDerWaalsContact OH-OD1 3.13Å; Y151-L161 HydrophobicContact CE2-CD2 4.27Å; Y151-L161 WeakPolarHBondContact OH-CB 3.42Å; Y151-L161 WeakPolarHBondContact OH-CD2 3.41Å
152S49.1Very low55.9Low32 Ų3266.7 Ų66.722%0.22432%0.318CS..THydrogen-bonded Turntrans-68.8-2.4-162.566.10000116.5R149 I155R149-S152 WeakPolarHBondContact O-CB 3.35Å; R149-S152 PolarHBondContact O-N 2.8Å; R149-S152 PolarHBondContact O-OG 3.45Å; S152-I155 VanDerWaalsContact O-CG1 3.26Å; S152-I155 WeakPolarHBondContact O-CG1 3.21Å
153H49.3Very low55.8Low167 Ų16766.3 Ų66.377%0.77332%0.315SS*.THydrogen-bonded Turntrans-78.6-16-179.2-71-71.8000113.7Y151Y151-H153 PolarHBondContact O-N 3.36Å
154K51.6Low55.7Low98 Ų9872.1 Ų72.143%0.42634%0.344SS..  trans-10856.8178.4-67.5-174.5179.9-179.30112.6Y151 E156 E157 D158 E186Y151-K154 PolarHBondContact O-N 3.45Å; K154-E156 VanDerWaalsContact C-N 3.25Å; K154-E156 PolarHBondContact O-N 3.3Å; K154-E157 PolarHBondContact O-N 2.86Å; K154-D158 WeakPolarHBondContact O-CB 3.42Å; K154-D158 PolarHBondContact O-N 3.41Å; K154-E186 IonicContact NZ-OE1 2.99Å; K154-E186 PolarHBondContact NZ-OE1 3.04Å
155I47.5Very low55.4Low61 Ų6170.9 Ų70.931%0.31333%0.331SS..THydrogen-bonded Turntrans-47.4-34.8-169.7-66.9177000115.5L139 K141 S152L139-I155 HydrophobicContact CB-CG2 3.39Å; L139-I155 HydrophobicContact CD1-CG2 3.62Å; L139-I155 HydrophobicContact CG-CG2 4.13Å; K141-I155 VanDerWaalsContact CE-O 3.22Å; K141-I155 WeakPolarHBondContact CE-O 3.23Å; K141-I155 PolarHBondContact NZ-O 3.48Å; S152-I155 VanDerWaalsContact O-CG1 3.26Å; S152-I155 WeakPolarHBondContact O-CG1 3.21Å
156E48.3Very low55.5Low153 Ų15376.5 Ų76.572%0.71537%0.365SS*.THydrogen-bonded Turntrans-91-36.6-175.4-70.4-174.4163.200115K154 D158K154-E156 VanDerWaalsContact C-N 3.25Å; K154-E156 PolarHBondContact O-N 3.3Å; E156-D158 VanDerWaalsContact C-N 3.28Å; E156-D158 PolarHBondContact O-N 3.29Å
157E48.9Very low56Low131 Ų13176.4 Ų76.461%0.61237%0.366SS*.Hα-helixtrans-72.2-27.9177-68-176.4158.500111.6K154 D159 K160 L161K154-E157 PolarHBondContact O-N 2.86Å; E157-D159 PolarHBondContact O-N 3.49Å; E157-K160 PolarHBondContact O-N 2.83Å; E157-L161 WeakPolarHBondContact O-CB 3.24Å; E157-L161 PolarHBondContact O-N 2.81Å
158D50.2Low56.7Low3 Ų380 Ų802%0.01638%0.38CS..Hα-helixtrans-62.5-40.2-173.5-76.5-1.3000115.8K141 Y151 K154 E156 F162K141-D158 IonicContact NZ-OD2 2.64Å; K141-D158 PolarHBondContact NZ-OD2 2.99Å; Y151-D158 HydrophobicContact CD1-CB 4.3Å; Y151-D158 HydrophobicContact CE1-CB 3.52Å; Y151-D158 WeakPolarHBondContact CE1-OD1 3.29Å; Y151-D158 WeakPolarHBondContact CE2-OD1 3.35Å; Y151-D158 VanDerWaalsContact CZ-CG 3.42Å; Y151-D158 VanDerWaalsContact OH-CA 3.29Å; Y151-D158 WeakPolarHBondContact OH-CA 3.38Å; Y151-D158 PolarHBondContact OH-OD1 2.04Å; Y151-D158 VanDerWaalsContact OH-OD1 3.13Å; K154-D158 WeakPolarHBondContact O-CB 3.42Å; K154-D158 PolarHBondContact O-N 3.41Å; E156-D158 VanDerWaalsContact C-N 3.28Å; E156-D158 PolarHBondContact O-N 3.29Å; D158-F162 VanDerWaalsContact O-CB 3.23Å; D158-F162 WeakPolarHBondContact O-CB 3.34Å; D158-F162 PolarHBondContact O-N 3.28Å
159D53.3Low57.6Low53 Ų5381.3 Ų81.328%0.28339%0.389SS..Hα-helixtrans-75.9-34.9-175.6-16444000111R126 E157 R163R126-D159 IonicContact CZ-OD1 3.72Å; R126-D159 IonicContact NH1-OD1 3.18Å; R126-D159 PolarHBondContact NH1-OD1 3.41Å; E157-D159 PolarHBondContact O-N 3.49Å; D159-R163 VanDerWaalsContact O-CB 3.26Å; D159-R163 WeakPolarHBondContact O-CB 3.22Å; D159-R163 VanDerWaalsContact O-CG 3.24Å; D159-R163 WeakPolarHBondContact O-CG 3.27Å; D159-R163 PolarHBondContact O-N 2.04Å; D159-R163 IonicContact OD1-CZ 2.93Å; D159-R163 IonicContact OD1-NE 2.6Å; D159-R163 PolarHBondContact OD1-NE 3.03Å; D159-R163 IonicContact OD1-NH2 2.83Å; D159-R163 IonicContact OD2-CZ 2.92Å; D159-R163 IonicContact OD2-NE 2.65Å; D159-R163 PolarHBondContact OD2-NE 3.49Å; D159-R163 IonicContact OD2-NH2 3.93Å
160K53.4Low58.8Low142 Ų14274.4 Ų74.462%0.61736%0.363SS*.Hα-helixtrans-65.7-46.6170.1-76.7-175.1-179.1176.50110.7E157 F162 R163 Q164E157-K160 PolarHBondContact O-N 2.83Å; K160-F162 PolarHBondContact O-N 3.38Å; K160-R163 PolarHBondContact O-N 3.44Å; K160-Q164 WeakPolarHBondContact O-CB 3.13Å; K160-Q164 WeakPolarHBondContact O-CG 3.01Å; K160-Q164 PolarHBondContact O-N 2.86Å
161L52.5Low60.4Low58 Ų5870.7 Ų70.730%0.30434%0.343SS..Hα-helixtrans-61.3-47.3178.6-164.566.8000110.2Y151 E157 R163 L165Y151-L161 HydrophobicContact CE2-CD2 4.27Å; Y151-L161 WeakPolarHBondContact OH-CB 3.42Å; Y151-L161 WeakPolarHBondContact OH-CD2 3.41Å; E157-L161 WeakPolarHBondContact O-CB 3.24Å; E157-L161 PolarHBondContact O-N 2.81Å; L161-R163 PolarHBondContact O-N 3.38Å; L161-L165 HydrophobicContact CD1-CD1 3.69Å; L161-L165 HydrophobicContact CD1-CD2 4.02Å; L161-L165 HydrophobicContact CD1-CG 3.86Å; L161-L165 HydrophobicContact CD2-CD1 4.48Å; L161-L165 HydrophobicContact CG-CD1 3.57Å; L161-L165 HydrophobicContact CG-CG 4.16Å; L161-L165 WeakPolarHBondContact O-CB 3.47Å; L161-L165 WeakPolarHBondContact O-CD1 3.39Å; L161-L165 WeakPolarHBondContact O-CG 3.35Å; L161-L165 PolarHBondContact O-N 2.8Å
162F57.5Low62.2Low7 Ų770 Ų703%0.03134%0.341CS..Hα-helixtrans-64.6-39.6179.8-156.4-85.8000113.1L79 T82 N109 R126 W143 D158 K160L79-F162 HydrophobicContact CD1-CZ 4.16Å; L79-F162 HydrophobicContact CD2-CE2 3.64Å; L79-F162 HydrophobicContact CD2-CZ 3.71Å; T82-F162 HydrophobicContact CG2-CD1 4.44Å; T82-F162 WeakPolarHBondContact CG2-O 3.34Å; T82-F162 WeakPolarHBondContact O-CE1 3.24Å; N109-F162 HydrophobicContact CB-CE1 4.25Å; N109-F162 HydrophobicContact CB-CZ 3.79Å; N109-F162 WeakPolarHBondContact OD1-CE1 3.39Å; N109-F162 WeakPolarHBondContact OD1-CZ 3.36Å; R126-F162 VanDerWaalsContact NH1-CD1 3.27Å; W143-F162 AromaticContact CH2-CD2 3.98Å; W143-F162 HydrophobicContact CH2-CD2 3.98Å; W143-F162 AromaticContact CH2-CE2 3.75Å; W143-F162 HydrophobicContact CH2-CE2 3.75Å; W143-F162 HydrophobicContact CH2-CZ 4.27Å; W143-F162 HydrophobicContact CZ3-CE2 4.28Å; D158-F162 VanDerWaalsContact O-CB 3.23Å; D158-F162 WeakPolarHBondContact O-CB 3.34Å; D158-F162 PolarHBondContact O-N 3.28Å; K160-F162 PolarHBondContact O-N 3.38Å
163R57.2Low64Low115 Ų11568.5 Ų68.543%0.43433%0.33SS..Hα-helixtrans-86.6-33.9-175.5-67.4175.7-174.4-115.4-5.3115.1E83 D159 K160 L161E83-R163 IonicContact OE1-CZ 2.96Å; D159-R163 VanDerWaalsContact O-CB 3.26Å; D159-R163 WeakPolarHBondContact O-CB 3.22Å; D159-R163 VanDerWaalsContact O-CG 3.24Å; D159-R163 WeakPolarHBondContact O-CG 3.27Å; D159-R163 PolarHBondContact O-N 2.04Å; D159-R163 IonicContact OD1-CZ 2.93Å; D159-R163 IonicContact OD1-NE 2.6Å; D159-R163 PolarHBondContact OD1-NE 3.03Å; D159-R163 IonicContact OD1-NH2 2.83Å; D159-R163 IonicContact OD2-CZ 2.92Å; D159-R163 IonicContact OD2-NE 2.65Å; D159-R163 PolarHBondContact OD2-NE 3.49Å; D159-R163 IonicContact OD2-NH2 3.93Å; K160-R163 PolarHBondContact O-N 3.44Å; L161-R163 PolarHBondContact O-N 3.38Å
164Q55.6Low66Low146 Ų14660.6 Ų60.668%0.68229%0.294SS*.Hα-helixtrans-92.1-6.8-172.9-62.9-176-31.500113.5K160 T166K160-Q164 WeakPolarHBondContact O-CB 3.13Å; K160-Q164 WeakPolarHBondContact O-CG 3.01Å; K160-Q164 PolarHBondContact O-N 2.86Å; Q164-T166 PolarHBondContact O-N 3.18Å
165L55.9Low67.9Low49 Ų4957.7 Ų57.726%0.25728%0.282SS..  trans-79.9107.7-173.6-85.7176.9000112.6L161 K170L161-L165 HydrophobicContact CD1-CD1 3.69Å; L161-L165 HydrophobicContact CD1-CD2 4.02Å; L161-L165 HydrophobicContact CD1-CG 3.86Å; L161-L165 HydrophobicContact CD2-CD1 4.48Å; L161-L165 HydrophobicContact CG-CD1 3.57Å; L161-L165 HydrophobicContact CG-CG 4.16Å; L161-L165 WeakPolarHBondContact O-CB 3.47Å; L161-L165 WeakPolarHBondContact O-CD1 3.39Å; L161-L165 WeakPolarHBondContact O-CG 3.35Å; L161-L165 PolarHBondContact O-N 2.8Å; L165-K170 HydrophobicContact CD1-CD 4.07Å
166T70Confident69.9Low124 Ų12455 Ų5576%0.76127%0.268SS*.  trans-63.6168.9154.7570000110.8Q164 K170Q164-T166 PolarHBondContact O-N 3.18Å; T166-K170 PolarHBondContact O-NZ 3.03Å
167G75.8Confident71.9Confident17 Ų1752 Ų5218%0.17525%0.253CS..SBendtrans84.657.6175.300000114.9K170G167-K170 PolarHBondContact O-NZ 3.18Å
168Y82.4Confident73.8Confident74 Ų7450.4 Ų50.429%0.2924%0.244SC..  trans-80.5154.7162.3-77.6-78.1000111.1L79 I80 G81 T82 K170L79-Y168 HydrophobicContact CD2-CE1 3.89Å; L79-Y168 HydrophobicContact CG-CE1 3.91Å; L79-Y168 VanDerWaalsContact O-CD1 3.28Å; L79-Y168 WeakPolarHBondContact O-CD1 3.38Å; I80-Y168 VanDerWaalsContact C-CD1 3.41Å; G81-Y168 VanDerWaalsContact C-CZ 3.43Å; G81-Y168 VanDerWaalsContact CA-CE1 3.45Å; G81-Y168 VanDerWaalsContact N-CE1 3.34Å; T82-Y168 WeakPolarHBondContact CA-OH 3.44Å; T82-Y168 HydrophobicContact CG2-CE2 3.98Å; T82-Y168 WeakPolarHBondContact CG2-OH 3.4Å; T82-Y168 PolarHBondContact N-OH 3Å; Y168-K170 HydrophobicContact CD1-CG 4.27Å; Y168-K170 HydrophobicContact CE1-CD 4.33Å; Y168-K170 HydrophobicContact CE1-CG 4.31Å
169P87.6Confident75.5Confident32 Ų3254.9 Ų54.921%0.20828%0.276CS..SBendcis-70.4158.1-7.929.2-33.2000112.5G30 Q78 L79 I80 C190G30-P169 VanDerWaalsContact O-CG 3.24Å; G30-P169 WeakPolarHBondContact O-CG 3.23Å; Q78-P169 HydrophobicContact CB-CB 4.13Å; Q78-P169 HydrophobicContact CG-CB 4.43Å; L79-P169 CarbonylContact O-C 3.59Å; L79-P169 WeakPolarHBondContact O-CA 3.01Å; I80-P169 HydrophobicContact CG2-CB 4.42Å; P169-C190 HydrophobicContact CG-CB 4.3Å; P169-C190 PolarHBondContact O-N 3.32Å; P169-C190 PolarHBondContact O-SG 3Å
170K85.2Confident77Confident2 Ų254.2 Ų54.21%0.00928%0.282CS..EExtended strand (participates in β ladder)trans-113145176.6-64.9-174.7-173.2-64.20112.3Q78 L79 L165 T166 G167 Y168 L187 Q188Q78-K170 CarbonylContact C-O 3.56Å; Q78-K170 WeakPolarHBondContact CA-O 3.37Å; L79-K170 HydrophobicContact CB-CB 4.27Å; L79-K170 PolarHBondContact N-O 2.84Å; L79-K170 PolarHBondContact O-N 2.76Å; L165-K170 HydrophobicContact CD1-CD 4.07Å; T166-K170 PolarHBondContact O-NZ 3.03Å; G167-K170 PolarHBondContact O-NZ 3.18Å; Y168-K170 HydrophobicContact CD1-CG 4.27Å; Y168-K170 HydrophobicContact CE1-CD 4.33Å; Y168-K170 HydrophobicContact CE1-CG 4.31Å; K170-L187 HydrophobicContact CB-CD2 4.26Å; K170-Q188 CarbonylContact C-O 3.56Å; K170-Q188 VanDerWaalsContact CA-O 3.27Å; K170-Q188 WeakPolarHBondContact CA-O 3.04Å; K170-Q188 WeakPolarHBondContact CB-O 2.99Å
171C87.5Confident78.5Confident0 Ų052.5 Ų52.50%028%0.275CS..EExtended strand (participates in β ladder)trans-135.1158.8-172.2-70.70000110.9Y74 Q188 C190 W195Y74-C171 HydrophobicContact CE2-CB 4.11Å; Y74-C171 VanDerWaalsContact CE2-SG 3.56Å; C171-Q188 PolarHBondContact N-O 2.64Å; C171-Q188 PolarHBondContact O-N 2.92Å; C171-Q188 VanDerWaalsContact O-N 3.13Å; C171-C190 HydrophobicContact CB-CB 3.93Å; C171-C190 WeakPolarHBondContact CB-SG 3.47Å; C171-C190 PolarHBondContact N-SG 2.87Å; C171-C190 VanDerWaalsContact N-SG 3.4Å; C171-C190 WeakPolarHBondContact SG-CB 3.28Å; C171-C190 CovalentContact SG-SG 2.02Å; C171-C190 PolarHBondContact SG-SG 3.27Å; C171-W195 HydrophobicContact CB-CH2 3.89Å; C171-W195 HydrophobicContact CB-CZ3 3.68Å
172R86.7Confident80.1Confident7 Ų753.6 Ų53.63%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-115.4146.5169.8-62.3-174.676.31802.9110.9S75 W147 F184 T185 L187S75-R172 VanDerWaalsContact CB-O 3.3Å; S75-R172 WeakPolarHBondContact CB-O 3.3Å; S75-R172 PolarHBondContact N-O 3.02Å; S75-R172 PolarHBondContact OG-O 2.68Å; W147-R172 HydrophobicContact CH2-CG 4.49Å; W147-R172 HydrophobicContact CZ2-CB 4.13Å; W147-R172 HydrophobicContact CZ2-CG 3.62Å; W147-R172 PolarHBondContact O-NH1 3.29Å; R172-F184 HydrophobicContact CB-CD1 4.39Å; R172-F184 PolarHBondContact NH2-O 3.25Å; R172-T185 PolarHBondContact NE-O 3.07Å; R172-T185 PolarHBondContact NH2-O 3.42Å; R172-L187 HydrophobicContact CG-CD2 3.63Å; R172-L187 HydrophobicContact CG-CG 4.08Å
173L88.7Confident81.5Confident0 Ų055 Ų550%029%0.288CS..EExtended strand (participates in β ladder)trans-90131.2168175.374.5000109.4R72 V73 L175 F184 T185 W195R72-L173 HydrophobicContact CB-CD1 3.65Å; R72-L173 HydrophobicContact CB-CD2 4.18Å; R72-L173 HydrophobicContact CB-CG 4.43Å; R72-L173 HydrophobicContact CG-CD2 4.21Å; R72-L173 VanDerWaalsContact CZ-CD2 3.44Å; R72-L173 VanDerWaalsContact NH2-CD2 3.34Å; V73-L173 WeakPolarHBondContact O-CD1 3.38Å; L173-L175 HydrophobicContact CD2-CD2 3.51Å; L173-L175 HydrophobicContact CD2-CG 4.12Å; L173-L175 HydrophobicContact CG-CD2 4.1Å; L173-L175 HydrophobicContact CG-CG 4.43Å; L173-F184 CarbonylContact O-C 3.54Å; L173-F184 WeakPolarHBondContact O-CA 3.46Å; L173-T185 HydrophobicContact CB-CG2 3.73Å; L173-T185 WeakPolarHBondContact CB-OG1 3.44Å; L173-T185 HydrophobicContact CD2-CG2 3.75Å; L173-T185 HydrophobicContact CG-CG2 4.05Å; L173-T185 PolarHBondContact N-OG1 2.81Å; L173-T185 PolarHBondContact O-N 3.17Å; L173-W195 HydrophobicContact CD1-CB 3.47Å; L173-W195 VanDerWaalsContact CD1-CB 3.47Å
174L90.2Very high82.9Confident1 Ų150.4 Ų50.41%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-94.5119.1166.8174.264.4000109.1F52 F58 V73 I176 F182 F184F52-L174 HydrophobicContact CB-CD2 4.03Å; F52-L174 HydrophobicContact CD1-CD2 3.66Å; F52-L174 HydrophobicContact CD2-CD2 4.07Å; F52-L174 HydrophobicContact CE1-CD2 4.12Å; F52-L174 HydrophobicContact CE2-CD2 4.44Å; F52-L174 HydrophobicContact CG-CD2 3.65Å; F52-L174 HydrophobicContact CZ-CD2 4.48Å; F58-L174 HydrophobicContact CZ-CD2 4.04Å; V73-L174 HydrophobicContact CB-CB 4.24Å; V73-L174 PolarHBondContact N-O 2.96Å; V73-L174 PolarHBondContact O-N 2.88Å; L174-I176 HydrophobicContact CD1-CG1 4.48Å; L174-I176 HydrophobicContact CD2-CD1 3.92Å; L174-I176 HydrophobicContact CD2-CG1 4.09Å; L174-I176 HydrophobicContact CG-CD1 4.27Å; L174-I176 HydrophobicContact CG-CG1 3.88Å; L174-F182 HydrophobicContact CD1-CB 4.24Å; L174-F182 HydrophobicContact CD1-CD2 4.32Å; L174-F184 HydrophobicContact CB-CD1 4.06Å; L174-F184 HydrophobicContact CB-CE1 3.96Å; L174-F184 HydrophobicContact CD1-CD1 4.09Å; L174-F184 HydrophobicContact CD1-CD2 4.45Å; L174-F184 HydrophobicContact CD1-CE1 3.89Å; L174-F184 HydrophobicContact CD1-CE2 4.26Å; L174-F184 HydrophobicContact CD1-CG 4.37Å; L174-F184 HydrophobicContact CD1-CZ 3.98Å; L174-F184 HydrophobicContact CG-CE1 4.35Å
175L90.7Very high84.3Confident36 Ų3645.1 Ų45.119%0.18825%0.249CC..EExtended strand (participates in β ladder)trans-93.1123173.2-65.6175.8000108.8R72 L173 F182 S183 T185R72-L175 HydrophobicContact CG-CD2 3.8Å; L173-L175 HydrophobicContact CD2-CD2 3.51Å; L173-L175 HydrophobicContact CD2-CG 4.12Å; L173-L175 HydrophobicContact CG-CD2 4.1Å; L173-L175 HydrophobicContact CG-CG 4.43Å; L175-F182 CarbonylContact O-C 3.59Å; L175-F182 WeakPolarHBondContact O-CA 3.49Å; L175-S183 PolarHBondContact N-O 2.88Å; L175-S183 PolarHBondContact O-N 2.94Å; L175-T185 HydrophobicContact CD1-CG2 4.08Å; L175-T185 HydrophobicContact CG-CG2 4.22Å
176I90.8Very high85.4Confident4 Ų447.7 Ų47.72%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-119117174.9-50.4177.2000108.3F18 F58 W64 L65 T70 I71 V73 L174 F182F18-I176 HydrophobicContact CE1-CD1 3.8Å; F18-I176 HydrophobicContact CZ-CD1 4.04Å; F58-I176 HydrophobicContact CD1-CD1 4.49Å; F58-I176 HydrophobicContact CE1-CD1 3.63Å; F58-I176 HydrophobicContact CZ-CD1 3.76Å; F58-I176 HydrophobicContact CZ-CG1 4.43Å; W64-I176 HydrophobicContact CH2-CD1 4.19Å; W64-I176 HydrophobicContact CH2-CG2 3.99Å; W64-I176 HydrophobicContact CZ2-CG2 4.25Å; L65-I176 HydrophobicContact CD1-CG2 4.33Å; T70-I176 CarbonylContact C-O 3.58Å; T70-I176 VanDerWaalsContact CA-O 3.29Å; T70-I176 WeakPolarHBondContact CA-O 3.48Å; I71-I176 HydrophobicContact CD1-CB 4.36Å; I71-I176 HydrophobicContact CD1-CD1 4.11Å; I71-I176 HydrophobicContact CG1-CB 3.77Å; I71-I176 HydrophobicContact CG1-CD1 4.33Å; I71-I176 HydrophobicContact CG1-CG1 4.34Å; I71-I176 PolarHBondContact N-O 3.2Å; I71-I176 PolarHBondContact O-N 3.4Å; V73-I176 HydrophobicContact CG2-CD1 3.98Å; V73-I176 HydrophobicContact CG2-CG1 4.38Å; L174-I176 HydrophobicContact CD1-CG1 4.48Å; L174-I176 HydrophobicContact CD2-CD1 3.92Å; L174-I176 HydrophobicContact CD2-CG1 4.09Å; L174-I176 HydrophobicContact CG-CD1 4.27Å; L174-I176 HydrophobicContact CG-CG1 3.88Å; I176-F182 HydrophobicContact CG1-CB 4.49Å
177K90.7Very high85.9Confident91 Ų9142.6 Ų42.640%0.39623%0.228SC..EExtended strand (participates in β ladder)trans-97.9148.6179.6-61.5-176.6178.1178.70110.7T70 S179 G180 H181T70-K177 HydrophobicContact CG2-CG 4.29Å; K177-S179 WeakPolarHBondContact CB-OG 3.46Å; K177-S179 PolarHBondContact O-N 3.42Å; K177-S179 VanDerWaalsContact O-N 3.12Å; K177-G180 PolarHBondContact O-N 2.93Å; K177-H181 WeakPolarHBondContact CB-O 3.36Å; K177-H181 PolarHBondContact N-O 3.18Å
178K88.6Confident86.3Confident97 Ų9744.2 Ų44.242%0.42223%0.231SC..THydrogen-bonded Turntrans-61.4-19.1175.2-169169.9-178.2165.30113.6T62 L65 R66 S69 G180T62-K178 WeakPolarHBondContact CB-O 3.49Å; T62-K178 VanDerWaalsContact CG2-O 3.31Å; T62-K178 WeakPolarHBondContact CG2-O 3.35Å; T62-K178 PolarHBondContact OG1-O 3.02Å; L65-K178 HydrophobicContact CD1-CB 4.37Å; R66-K178 PolarHBondContact O-NZ 2.96Å; S69-K178 WeakPolarHBondContact O-CB 3.42Å; S69-K178 PolarHBondContact O-N 2.74Å; K178-G180 PolarHBondContact O-N 3.24Å
179S85.7Confident86.4Confident97 Ų9741.8 Ų41.868%0.67822%0.224SC*.THydrogen-bonded Turntrans-67.4-9.5170.160.40000114K177 H181K177-S179 WeakPolarHBondContact CB-OG 3.46Å; K177-S179 PolarHBondContact O-N 3.42Å; K177-S179 VanDerWaalsContact O-N 3.12Å; S179-H181 VanDerWaalsContact C-N 3.32Å
180G83.7Confident86.4Confident40 Ų4040.3 Ų40.341%0.41222%0.215SC..SBendtrans90.6-8.7-174.800000113.7K177 K178K177-G180 PolarHBondContact O-N 2.93Å; K178-G180 PolarHBondContact O-N 3.24Å
181H85.9Confident86.4Confident105 Ų10547.4 Ų47.449%0.48624%0.242SC..  trans-73.5132.6175.1-175.4-76.9000111K177 S179K177-H181 WeakPolarHBondContact CB-O 3.36Å; K177-H181 PolarHBondContact N-O 3.18Å; S179-H181 VanDerWaalsContact C-N 3.32Å
182F86.5Confident86.1Confident82 Ų8251.7 Ų51.736%0.3626%0.264SS..EExtended strand (participates in β ladder)trans-128.4147.8171.164.6-88.2000111.1F58 L174 L175 I176F58-F182 AromaticContact CD2-CD1 3.64Å; F58-F182 HydrophobicContact CD2-CD1 3.64Å; F58-F182 AromaticContact CD2-CE1 3.88Å; F58-F182 HydrophobicContact CD2-CE1 3.88Å; F58-F182 HydrophobicContact CD2-CG 4.02Å; F58-F182 HydrophobicContact CD2-CZ 4.45Å; F58-F182 HydrophobicContact CE2-CB 4.3Å; F58-F182 AromaticContact CE2-CD1 3.99Å; F58-F182 HydrophobicContact CE2-CD1 3.99Å; F58-F182 HydrophobicContact CE2-CD2 4.14Å; F58-F182 HydrophobicContact CE2-CE1 4.35Å; F58-F182 HydrophobicContact CE2-CE2 4.5Å; F58-F182 AromaticContact CE2-CG 3.87Å; F58-F182 HydrophobicContact CE2-CG 3.87Å; L174-F182 HydrophobicContact CD1-CB 4.24Å; L174-F182 HydrophobicContact CD1-CD2 4.32Å; L175-F182 CarbonylContact O-C 3.59Å; L175-F182 WeakPolarHBondContact O-CA 3.49Å; I176-F182 HydrophobicContact CG1-CB 4.49Å
183S86.5Confident85.5Confident35 Ų3552 Ų5225%0.24527%0.268CS..EExtended strand (participates in β ladder)trans-154.1156176.757.40000111.2L175L175-S183 PolarHBondContact N-O 2.88Å; L175-S183 PolarHBondContact O-N 2.94Å
184F85.5Confident85.3Confident19 Ų1959.9 Ų59.98%0.08330%0.303CS..EExtended strand (participates in β ladder)trans-98.5139.9173.9-67.1-85.8000110.9F52 W147 R172 L173 L174F52-F184 HydrophobicContact CB-CE1 4.12Å; F52-F184 HydrophobicContact CB-CZ 4.02Å; W147-F184 AromaticContact CD1-CE1 3.85Å; R172-F184 HydrophobicContact CB-CD1 4.39Å; R172-F184 PolarHBondContact NH2-O 3.25Å; L173-F184 CarbonylContact O-C 3.54Å; L173-F184 WeakPolarHBondContact O-CA 3.46Å; L174-F184 HydrophobicContact CB-CD1 4.06Å; L174-F184 HydrophobicContact CB-CE1 3.96Å; L174-F184 HydrophobicContact CD1-CD1 4.09Å; L174-F184 HydrophobicContact CD1-CD2 4.45Å; L174-F184 HydrophobicContact CD1-CE1 3.89Å; L174-F184 HydrophobicContact CD1-CE2 4.26Å; L174-F184 HydrophobicContact CD1-CG 4.37Å; L174-F184 HydrophobicContact CD1-CZ 3.98Å; L174-F184 HydrophobicContact CG-CE1 4.35Å
185T84.8Confident85.4Confident35 Ų3560.8 Ų60.822%0.21531%0.306CS..  trans-76.1176.6171.868.40000111.7R172 L173 L175R172-T185 PolarHBondContact NE-O 3.07Å; R172-T185 PolarHBondContact NH2-O 3.42Å; L173-T185 HydrophobicContact CB-CG2 3.73Å; L173-T185 WeakPolarHBondContact CB-OG1 3.44Å; L173-T185 HydrophobicContact CD2-CG2 3.75Å; L173-T185 HydrophobicContact CG-CG2 4.05Å; L173-T185 PolarHBondContact N-OG1 2.81Å; L173-T185 PolarHBondContact O-N 3.17Å; L175-T185 HydrophobicContact CD1-CG2 4.08Å; L175-T185 HydrophobicContact CG-CG2 4.22Å
186E79.2Confident85.4Confident103 Ų10361.1 Ų61.148%0.48131%0.311SS..  trans-60.7160.7170.1-61.9-179.8171.400112.5K154K154-E186 IonicContact NZ-OE1 2.99Å; K154-E186 PolarHBondContact NZ-OE1 3.04Å
187L81.6Confident85.6Confident17 Ų1761.1 Ų61.19%0.08931%0.311CS..  trans-69.2129.7172.3-80.5166.8000109.7L79 W147 K170 R172L79-L187 HydrophobicContact CD2-CD1 4.5Å; W147-L187 HydrophobicContact CH2-CD2 3.75Å; W147-L187 HydrophobicContact CZ2-CD2 4.06Å; K170-L187 HydrophobicContact CB-CD2 4.26Å; R172-L187 HydrophobicContact CG-CD2 3.63Å; R172-L187 HydrophobicContact CG-CG 4.08Å
188Q82.9Confident85.7Confident52 Ų5256.8 Ų56.824%0.24329%0.292CS..EExtended strand (participates in β ladder)trans-136.5159.4175.966.9-165.6-51.300109.6K170 C171 C190 A193K170-Q188 CarbonylContact C-O 3.56Å; K170-Q188 VanDerWaalsContact CA-O 3.27Å; K170-Q188 WeakPolarHBondContact CA-O 3.04Å; K170-Q188 WeakPolarHBondContact CB-O 2.99Å; C171-Q188 PolarHBondContact N-O 2.64Å; C171-Q188 PolarHBondContact O-N 2.92Å; C171-Q188 VanDerWaalsContact O-N 3.13Å; Q188-C190 PolarHBondContact O-N 3.4Å; Q188-A193 VanDerWaalsContact CD-CB 3.48Å; Q188-A193 HydrophobicContact CG-CB 3.7Å
189P85.9Confident86Confident22 Ų2252.2 Ų52.214%0.14327%0.273CS..EExtended strand (participates in β ladder)trans-53.2135.4168.7-23.435.4000110.3R191 D192 A193P189-R191 HydrophobicContact CB-CG 3.96Å; P189-R191 PolarHBondContact O-N 3.44Å; P189-D192 HydrophobicContact CB-CB 4.44Å; P189-D192 VanDerWaalsContact CB-OD2 3.32Å; P189-D192 WeakPolarHBondContact CB-OD2 3.31Å; P189-D192 VanDerWaalsContact CG-OD2 3.23Å; P189-D192 WeakPolarHBondContact CG-OD2 3.46Å; P189-D192 PolarHBondContact O-N 3.07Å; P189-A193 PolarHBondContact O-N 3.49Å
190C87.4Confident86.4Confident1 Ų147.6 Ų47.61%0.00724%0.24CC..G310 helixtrans-58-35.8-175.8-61.10000112.5E32 P169 C171 Q188 D192 A193 W195E32-C190 WeakPolarHBondContact OE2-CB 3.41Å; P169-C190 HydrophobicContact CG-CB 4.3Å; P169-C190 PolarHBondContact O-N 3.32Å; P169-C190 PolarHBondContact O-SG 3Å; C171-C190 HydrophobicContact CB-CB 3.93Å; C171-C190 WeakPolarHBondContact CB-SG 3.47Å; C171-C190 PolarHBondContact N-SG 2.87Å; C171-C190 VanDerWaalsContact N-SG 3.4Å; C171-C190 WeakPolarHBondContact SG-CB 3.28Å; C171-C190 CovalentContact SG-SG 2.02Å; C171-C190 PolarHBondContact SG-SG 3.27Å; Q188-C190 PolarHBondContact O-N 3.4Å; C190-D192 VanDerWaalsContact C-N 3.28Å; C190-D192 PolarHBondContact O-N 3.18Å; C190-A193 WeakPolarHBondContact O-CB 3.27Å; C190-A193 PolarHBondContact O-N 3.34Å; C190-W195 HydrophobicContact CB-CH2 4.35Å
191R84.5Confident86.9Confident152 Ų15250.6 Ų50.657%0.57424%0.239SC*.G310 helixtrans-60.6-30.2175.462.9-179.4-175.6-160.70.9114.7P189P189-R191 HydrophobicContact CB-CG 3.96Å; P189-R191 PolarHBondContact O-N 3.44Å
192D81.5Confident87.2Confident89 Ų8946.1 Ų46.148%0.47622%0.219SC..G310 helixtrans-90.4-13.9-176.2-60-31.2000111.8P189 C190 K194P189-D192 HydrophobicContact CB-CB 4.44Å; P189-D192 VanDerWaalsContact CB-OD2 3.32Å; P189-D192 WeakPolarHBondContact CB-OD2 3.31Å; P189-D192 VanDerWaalsContact CG-OD2 3.23Å; P189-D192 WeakPolarHBondContact CG-OD2 3.46Å; P189-D192 PolarHBondContact O-N 3.07Å; C190-D192 VanDerWaalsContact C-N 3.28Å; C190-D192 PolarHBondContact O-N 3.18Å; D192-K194 PolarHBondContact O-N 2.7Å
193A75Confident87.3Confident13 Ų1345.8 Ų45.811%0.10722%0.215CC..  trans-77.3119.4-170.800000113Q188 P189 C190 W195Q188-A193 VanDerWaalsContact CD-CB 3.48Å; Q188-A193 HydrophobicContact CG-CB 3.7Å; P189-A193 PolarHBondContact O-N 3.49Å; C190-A193 WeakPolarHBondContact O-CB 3.27Å; C190-A193 PolarHBondContact O-N 3.34Å; A193-W195 HydrophobicContact CB-CD2 4.39Å; A193-W195 HydrophobicContact CB-CE3 3.43Å; A193-W195 VanDerWaalsContact CB-CE3 3.43Å; A193-W195 HydrophobicContact CB-CH2 3.73Å; A193-W195 HydrophobicContact CB-CZ3 3.04Å; A193-W195 PolarHBondContact O-N 3Å
194K84.7Confident87.5Confident167 Ų16745.1 Ų45.173%0.72621%0.212SC*.  trans-94.874.1-179.6-59.8-174.7-178.3-179.70112.3R72 D192R72-K194 PolarHBondContact NE-O 3.39Å; R72-K194 PolarHBondContact NH2-O 3.16Å; D192-K194 PolarHBondContact O-N 2.7Å
195W90.8Very high87.5Confident20 Ų2045.1 Ų45.18%0.07622%0.215CC..  trans-87.3148164.25077.2000111.2E32 Y36 R72 Y74 C171 L173 C190 A193E32-W195 HydrophobicContact CB-CZ2 3.9Å; E32-W195 HydrophobicContact CG-CZ2 3.82Å; Y36-W195 AromaticContact CE2-CE2 4Å; Y36-W195 HydrophobicContact CE2-CZ2 4.17Å; Y36-W195 AromaticContact CE2-NE1 3.4Å; Y36-W195 AromaticContact CZ-NE1 3.53Å; Y36-W195 PolarHBondContact OH-NE1 2.82Å; R72-W195 WeakPolarHBondContact O-CB 3.32Å; Y74-W195 AromaticContact CD2-CD2 3.91Å; Y74-W195 HydrophobicContact CD2-CD2 3.91Å; Y74-W195 AromaticContact CD2-CE2 3.77Å; Y74-W195 AromaticContact CD2-CE3 3.76Å; Y74-W195 HydrophobicContact CD2-CE3 3.76Å; Y74-W195 AromaticContact CD2-CH2 3.41Å; Y74-W195 HydrophobicContact CD2-CH2 3.41Å; Y74-W195 VanDerWaalsContact CD2-CH2 3.41Å; Y74-W195 AromaticContact CD2-CZ2 3.53Å; Y74-W195 HydrophobicContact CD2-CZ2 3.53Å; Y74-W195 AromaticContact CD2-CZ3 3.49Å; Y74-W195 HydrophobicContact CD2-CZ3 3.49Å; Y74-W195 VanDerWaalsContact CD2-CZ3 3.49Å; Y74-W195 AromaticContact CE2-CH2 3.68Å; Y74-W195 HydrophobicContact CE2-CH2 3.68Å; Y74-W195 HydrophobicContact CE2-CZ2 4.02Å; Y74-W195 HydrophobicContact CE2-CZ3 4.03Å; Y74-W195 HydrophobicContact CG-CD2 4.22Å; Y74-W195 AromaticContact CG-CE2 4Å; Y74-W195 HydrophobicContact CG-CE3 4.47Å; Y74-W195 HydrophobicContact CG-CH2 4.39Å; Y74-W195 HydrophobicContact CG-CZ2 4.1Å; C171-W195 HydrophobicContact CB-CH2 3.89Å; C171-W195 HydrophobicContact CB-CZ3 3.68Å; L173-W195 HydrophobicContact CD1-CB 3.47Å; L173-W195 VanDerWaalsContact CD1-CB 3.47Å; C190-W195 HydrophobicContact CB-CH2 4.35Å; A193-W195 HydrophobicContact CB-CD2 4.39Å; A193-W195 HydrophobicContact CB-CE3 3.43Å; A193-W195 VanDerWaalsContact CB-CE3 3.43Å; A193-W195 HydrophobicContact CB-CH2 3.73Å; A193-W195 HydrophobicContact CB-CZ3 3.04Å; A193-W195 PolarHBondContact O-N 3Å
196S92Very high87.6Confident42 Ų4244.9 Ų44.929%0.29421%0.213SC..SBendtrans-97.3-20.4176.2570000112.7V21 R72V21-S196 WeakPolarHBondContact CG2-O 3.36Å; V21-S196 PolarHBondContact N-O 3.23Å; R72-S196 PolarHBondContact N-OG 3.42Å; R72-S196 PolarHBondContact O-N 2.87Å; R72-S196 PolarHBondContact O-OG 3.46Å
197H93.7Very high88.1Confident5 Ų543.6 Ų43.62%0.02321%0.209CC..EExtended strand (participates in β ladder)trans-136.3159.2-178-61.873.6000111.2I19 Y68 R72 V73 Y74I19-H197 CarbonylContact O-C 3.58Å; I19-H197 WeakPolarHBondContact O-CA 3.32Å; I19-H197 WeakPolarHBondContact O-CB 3.03Å; Y68-H197 AromaticContact CE1-CE1 3.9Å; Y68-H197 AromaticContact CZ-NE2 3.79Å; R72-H197 PolarHBondContact O-N 2.9Å; V73-H197 CarbonylContact C-O 3.42Å; V73-H197 VanDerWaalsContact CA-O 3.27Å; V73-H197 WeakPolarHBondContact CA-O 3.39Å; V73-H197 HydrophobicContact CG2-CB 4.39Å; Y74-H197 PolarHBondContact N-O 3.19Å
198F93.8Very high88.6Confident0 Ų043.8 Ų43.80%021%0.212CC..EExtended strand (participates in β ladder)trans-126.7163.1160.163.1-80.9000107.9F18 I19 V21 V24 Y36 F39 Y74F18-F198 CarbonylContact C-O 3.59Å; F18-F198 WeakPolarHBondContact CA-O 3.31Å; I19-F198 HydrophobicContact CB-CD1 4.24Å; I19-F198 HydrophobicContact CB-CD2 4.43Å; I19-F198 HydrophobicContact CB-CE1 3.74Å; I19-F198 HydrophobicContact CB-CE2 3.98Å; I19-F198 HydrophobicContact CB-CZ 3.62Å; I19-F198 HydrophobicContact CG1-CE2 4.12Å; I19-F198 HydrophobicContact CG1-CZ 4.17Å; I19-F198 HydrophobicContact CG2-CE1 3.77Å; I19-F198 HydrophobicContact CG2-CE2 4.43Å; I19-F198 HydrophobicContact CG2-CZ 3.64Å; I19-F198 PolarHBondContact N-O 2.87Å; I19-F198 WeakPolarHBondContact O-CD1 3.12Å; I19-F198 PolarHBondContact O-N 3Å; V21-F198 HydrophobicContact CG1-CD1 4.15Å; V24-F198 HydrophobicContact CG2-CE1 3.72Å; V24-F198 HydrophobicContact CG2-CZ 3.81Å; Y36-F198 AromaticContact CD1-CD1 3.78Å; Y36-F198 HydrophobicContact CD1-CD1 3.78Å; Y36-F198 HydrophobicContact CD1-CD2 4.37Å; Y36-F198 AromaticContact CD1-CE1 3.85Å; Y36-F198 HydrophobicContact CD1-CE1 3.85Å; Y36-F198 HydrophobicContact CD1-CE2 4.4Å; Y36-F198 HydrophobicContact CD1-CG 4.05Å; Y36-F198 HydrophobicContact CD1-CZ 4.15Å; Y36-F198 HydrophobicContact CD2-CB 3.73Å; Y36-F198 HydrophobicContact CD2-CD1 4.27Å; Y36-F198 HydrophobicContact CD2-CD2 4.4Å; Y36-F198 AromaticContact CD2-CG 3.9Å; Y36-F198 HydrophobicContact CD2-CG 3.9Å; Y36-F198 HydrophobicContact CE1-CD1 4.03Å; Y36-F198 HydrophobicContact CE1-CE1 4.23Å; Y36-F198 HydrophobicContact CE2-CB 4.1Å; Y36-F198 HydrophobicContact CE2-CD1 4.45Å; Y36-F198 HydrophobicContact CE2-CG 4.41Å; Y36-F198 HydrophobicContact CG-CB 4.08Å; Y36-F198 AromaticContact CG-CD1 3.94Å; Y36-F198 HydrophobicContact CG-CD1 3.94Å; Y36-F198 AromaticContact CG-CD2 3.9Å; Y36-F198 HydrophobicContact CG-CD2 3.9Å; Y36-F198 HydrophobicContact CG-CE1 4.33Å; Y36-F198 HydrophobicContact CG-CE2 4.26Å; Y36-F198 AromaticContact CG-CG 3.71Å; Y36-F198 HydrophobicContact CG-CG 3.71Å; Y36-F198 HydrophobicContact CG-CZ 4.46Å; F39-F198 HydrophobicContact CB-CE2 4.45Å; F39-F198 HydrophobicContact CB-CZ 4.24Å; F39-F198 AromaticContact CD1-CE2 3.79Å; F39-F198 HydrophobicContact CD1-CE2 3.79Å; F39-F198 AromaticContact CD1-CZ 3.52Å; F39-F198 HydrophobicContact CD1-CZ 3.52Å; F39-F198 HydrophobicContact CE1-CE2 4.45Å; F39-F198 AromaticContact CE1-CZ 4Å; F39-F198 HydrophobicContact CE1-CZ 4Å; F39-F198 HydrophobicContact CG-CE2 4.36Å; F39-F198 AromaticContact CG-CZ 3.88Å; F39-F198 HydrophobicContact CG-CZ 3.88Å; Y74-F198 HydrophobicContact CD1-CB 4.33Å
199A94.6Very high89.1Confident1 Ų148.4 Ų48.41%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-114.3137.6178.300000111.6L16 S17 F18 V49 A50 F52L16-A199 HydrophobicContact CD1-CB 4.01Å; L16-A199 HydrophobicContact CG-CB 4.28Å; S17-A199 CarbonylContact O-C 3.54Å; S17-A199 VanDerWaalsContact O-CA 3.29Å; S17-A199 WeakPolarHBondContact O-CA 3.26Å; F18-A199 HydrophobicContact CD1-CB 3.83Å; F18-A199 HydrophobicContact CE1-CB 3.88Å; F18-A199 HydrophobicContact CG-CB 4.35Å; F18-A199 HydrophobicContact CZ-CB 4.42Å; V49-A199 WeakPolarHBondContact CA-O 3.43Å; A50-A199 HydrophobicContact CB-CB 3.97Å; A50-A199 PolarHBondContact N-O 3.28Å; F52-A199 HydrophobicContact CE2-CB 3.54Å; F52-A199 HydrophobicContact CZ-CB 3.49Å; F52-A199 VanDerWaalsContact CZ-CB 3.49Å
200C94.5Very high89.3Confident0 Ų049.8 Ų49.80%023%0.23CC..EExtended strand (participates in β ladder)trans-102126.1169.3-61.30000109.4L16 S17 C40 F44 H48L16-C200 WeakPolarHBondContact CA-O 3.36Å; S17-C200 PolarHBondContact N-O 2.82Å; S17-C200 PolarHBondContact O-N 3.45Å; C40-C200 WeakPolarHBondContact CA-SG 3.22Å; C40-C200 HydrophobicContact CB-CB 3.73Å; C40-C200 WeakPolarHBondContact CB-SG 3.48Å; C40-C200 WeakPolarHBondContact SG-CA 2.91Å; C40-C200 WeakPolarHBondContact SG-CB 2.93Å; C40-C200 CovalentContact SG-SG 2.04Å; C40-C200 PolarHBondContact SG-SG 2.97Å; F44-C200 HydrophobicContact CD2-CB 3.8Å; F44-C200 HydrophobicContact CE2-CB 3.88Å; H48-C200 CarbonylContact O-C 3.48Å; H48-C200 WeakPolarHBondContact O-CA 3.34Å
201R93Very high89.7Confident102 Ų10254.7 Ų54.739%0.38525%0.252SS..EExtended strand (participates in β ladder)trans-90.9132.9162.8-176.2177.7-176.21650.8108.3L10 E14 C15 L16 G47 H48 A50L10-R201 HydrophobicContact CD1-CG 4.28Å; E14-R201 IonicContact OE1-CZ 3.02Å; E14-R201 IonicContact OE1-NE 3.29Å; E14-R201 PolarHBondContact OE1-NE 3.32Å; E14-R201 IonicContact OE1-NH2 3.93Å; E14-R201 IonicContact OE2-CZ 2.77Å; E14-R201 IonicContact OE2-NE 2.73Å; E14-R201 PolarHBondContact OE2-NE 2.87Å; E14-R201 IonicContact OE2-NH2 3.61Å; E14-R201 PolarHBondContact OE2-NH2 2.89Å; C15-R201 WeakPolarHBondContact O-CA 3.15Å; L16-R201 HydrophobicContact CD1-CB 4.32Å; G47-R201 WeakPolarHBondContact CA-O 3.28Å; H48-R201 PolarHBondContact N-O 3.45Å; H48-R201 PolarHBondContact O-N 3.3Å; A50-R201 HydrophobicContact CB-CB 4.2Å
202H92.2Very high90.1Very high12 Ų1254.1 Ų54.16%0.05625%0.25CS..EExtended strand (participates in β ladder)trans-159.2166.6-177.962.989.8000112.3E14 C15 S17 F44 K45E14-H202 CarbonylContact C-O 3.29Å; E14-H202 VanDerWaalsContact CA-O 3.31Å; E14-H202 WeakPolarHBondContact CA-O 3.33Å; C15-H202 VanDerWaalsContact CB-CE1 3.46Å; C15-H202 WeakPolarHBondContact CB-CE1 3.33Å; C15-H202 PolarHBondContact N-O 2.6Å; C15-H202 PolarHBondContact O-N 2.84Å; S17-H202 PolarHBondContact OG-NE2 2.65Å; F44-H202 HydrophobicContact CB-CB 3.38Å; F44-H202 VanDerWaalsContact CB-CG 3.45Å; F44-H202 AromaticContact CD1-CD2 3.56Å; F44-H202 AromaticContact CD1-CE1 3.52Å; F44-H202 AromaticContact CD1-CG 3.81Å; F44-H202 AromaticContact CD1-ND1 3.78Å; F44-H202 AromaticContact CD1-NE2 3.38Å; F44-H202 WeakPolarHBondContact CD1-NE2 3.27Å; F44-H202 AromaticContact CE1-NE2 3.62Å; F44-H202 HydrophobicContact CG-CB 4.15Å; F44-H202 AromaticContact CG-CD2 3.56Å; F44-H202 AromaticContact CG-CG 3.73Å; F44-H202 AromaticContact CG-NE2 3.92Å; K45-H202 WeakPolarHBondContact O-CB 3.38Å
203Y90.2Very high90.6Very high74 Ų7452 Ų5229%0.2924%0.238SC..EExtended strand (participates in β ladder)trans-74.4148.3172.3-64.6-71.8000111.4E14 K45 W337E14-Y203 HydrophobicContact CG-CD1 3.99Å; E14-Y203 HydrophobicContact CG-CE1 4.06Å; K45-Y203 HydrophobicContact CG-CD2 4.42Å; K45-Y203 PolarHBondContact O-N 3.42Å; Y203-W337 HydrophobicContact CD2-CB 3.88Å; Y203-W337 HydrophobicContact CE2-CB 3.62Å
204A89.3Confident91.4Very high22 Ų2258.5 Ų58.518%0.18227%0.267CS..PPolyproline II helixtrans-64.413817000000110.3N13N13-A204 PolarHBondContact O-N 3.01Å; N13-A204 WeakPolarHBondContact OD1-CB 3.33Å
205S86.8Confident91.5Very high19 Ų1951.8 Ų51.813%0.13324%0.239CC..PPolyproline II helixtrans-69.7142.5171.8-68.10000110.4N207 E237S205-N207 PolarHBondContact O-N 3.15Å; S205-E237 WeakPolarHBondContact CA-OE2 3.36Å
206T86.4Confident91.4Very high29 Ų2953 Ų5318%0.17825%0.25CC..PPolyproline II helixtrans-71.5130.8178.7600000111.2Q234 Q235 E237 G241T206-Q234 VanDerWaalsContact CG2-NE2 3.33Å; T206-Q235 PolarHBondContact OG1-O 3.29Å; T206-E237 PolarHBondContact N-OE2 2.72Å; T206-E237 PolarHBondContact O-N 3.34Å; T206-E237 VanDerWaalsContact OG1-CB 3.32Å; T206-E237 WeakPolarHBondContact OG1-CB 3.21Å; T206-G241 WeakPolarHBondContact O-CA 3.32Å
207N90.2Very high91.4Very high76 Ų7651 Ų5141%0.40624%0.236SC..PPolyproline II helixtrans-79.3157.1172.6-65.7-34.3000110.3S205 R209 Q234 H242S205-N207 PolarHBondContact O-N 3.15Å; N207-R209 PolarHBondContact O-N 3.4Å; N207-Q234 PolarHBondContact O-OE1 2.95Å; N207-H242 HydrophobicContact CB-CB 4.4Å; N207-H242 PolarHBondContact OD1-CD2 2.94Å; N207-H242 VanDerWaalsContact OD1-CD2 3.24Å; N207-H242 PolarHBondContact OD1-N 3.34Å
208C91.5Very high91.3Very high21 Ų2152 Ų5214%0.14224%0.243CC..PPolyproline II helixtrans-62.6131.6168.4178.60000110.5Q234 P236 H242 C244C208-Q234 WeakPolarHBondContact CA-O 3.08Å; C208-P236 HydrophobicContact CB-CB 3.98Å; C208-P236 HydrophobicContact CB-CG 4.16Å; C208-H242 WeakPolarHBondContact CB-O 3.08Å; C208-H242 PolarHBondContact N-O 3.27Å; C208-C244 HydrophobicContact CB-CB 3.77Å; C208-C244 VanDerWaalsContact CB-N 3.35Å; C208-C244 WeakPolarHBondContact CB-SG 3.47Å; C208-C244 VanDerWaalsContact SG-CA 3.6Å; C208-C244 WeakPolarHBondContact SG-CB 3.21Å; C208-C244 CovalentContact SG-SG 2.01Å; C208-C244 PolarHBondContact SG-SG 3.02Å
209R92.9Very high91.2Very high149 Ų14952.6 Ų52.656%0.56225%0.247SC*.EExtended strand (participates in β ladder)trans-125.8129171.9-168.5176.567.51731.3109.9N207 V233 Q234N207-R209 PolarHBondContact O-N 3.4Å; R209-V233 PolarHBondContact O-N 3.48Å; R209-Q234 HydrophobicContact CB-CB 3.8Å; R209-Q234 PolarHBondContact N-O 2.79Å; R209-Q234 PolarHBondContact O-N 3.14Å
210R91.4Very high91.1Very high52 Ų5257 Ų5720%0.19627%0.27CS..EExtended strand (participates in β ladder)trans-122.2145.5176.2-59.5-163.2-83.1-174-6.8110.6Y230 K231 C244 K245 D247 R304R210-Y230 HydrophobicContact CB-CD1 4.16Å; R210-K231 CarbonylContact C-O 3.54Å; R210-K231 VanDerWaalsContact CA-O 3.24Å; R210-K231 WeakPolarHBondContact CA-O 3.32Å; R210-C244 HydrophobicContact CG-CB 4.48Å; R210-C244 VanDerWaalsContact CZ-CB 3.46Å; R210-C244 VanDerWaalsContact NE-CB 3.31Å; R210-K245 PolarHBondContact NH2-O 3.12Å; R210-D247 VanDerWaalsContact CZ-CG 3.46Å; R210-D247 IonicContact CZ-OD1 3.28Å; R210-D247 IonicContact CZ-OD2 3.78Å; R210-D247 IonicContact NE-OD1 2.65Å; R210-D247 PolarHBondContact NE-OD1 3.16Å; R210-D247 IonicContact NH1-OD1 3.03Å; R210-D247 PolarHBondContact NH1-OD1 3.2Å; R210-D247 IonicContact NH1-OD2 3.92Å; R210-D247 PolarHBondContact NH1-OD2 3.3Å; R210-D247 IonicContact NH2-OD1 2.77Å; R210-D247 PolarHBondContact NH2-OD1 3.09Å; R210-D247 IonicContact NH2-OD2 3.68Å; R210-R304 VanDerWaalsContact NH1-NH1 3.13Å
211E93.9Very high90.9Very high103 Ų10360.7 Ų60.748%0.48129%0.29SS..EExtended strand (participates in β ladder)trans-102.3131.2174.7179.5177-165.600108.7L213 Y230 K231 V233E211-L213 HydrophobicContact CG-CD2 4.37Å; E211-Y230 CarbonylContact O-C 3.58Å; E211-Y230 WeakPolarHBondContact O-CA 3.43Å; E211-K231 PolarHBondContact N-O 3.34Å; E211-K231 PolarHBondContact O-N 2.79Å; E211-V233 HydrophobicContact CB-CG2 3.65Å
212R94.7Very high90.8Very high140 Ų14057.7 Ų57.753%0.52828%0.28SS..EExtended strand (participates in β ladder)trans-86.8126.1178.3-173.1-176.870.2177.81.9109.2F228 Y230R212-F228 HydrophobicContact CG-CB 3.97Å; R212-F228 HydrophobicContact CG-CG 4.25Å; R212-Y230 HydrophobicContact CB-CD1 4.14Å; R212-Y230 HydrophobicContact CB-CE1 3.75Å; R212-Y230 HydrophobicContact CG-CE1 3.96Å; R212-Y230 HydrophobicContact CG-CE2 4.48Å
213L91.6Very high90.6Very high44 Ų4466.1 Ų66.123%0.2332%0.319CS..EExtended strand (participates in β ladder)trans-104.3128.2175.5-54.8178.1000109.2E211 L215 F228 A229 K231E211-L213 HydrophobicContact CG-CD2 4.37Å; L213-L215 HydrophobicContact CB-CD2 3.74Å; L213-L215 HydrophobicContact CB-CG 4.08Å; L213-L215 HydrophobicContact CD1-CD2 4.2Å; L213-L215 PolarHBondContact O-N 3.24Å; L213-F228 WeakPolarHBondContact O-CA 3.48Å; L213-A229 HydrophobicContact CB-CB 4.31Å; L213-A229 PolarHBondContact N-O 3.28Å; L213-A229 PolarHBondContact O-N 2.88Å; L213-K231 HydrophobicContact CD1-CB 4.23Å
214Q90.6Very high90.6Very high150 Ų15065.2 Ų65.270%0.70133%0.332SS*.EExtended strand (participates in β ladder)trans-86.485.9179.4-127.8177.3-22.300109.8F228Q214-F228 HydrophobicContact CG-CD1 3.76Å; Q214-F228 HydrophobicContact CG-CE1 3.48Å; Q214-F228 VanDerWaalsContact CG-CE1 3.48Å
215L88.5Confident90.7Very high27 Ų2764.9 Ų64.914%0.14133%0.328CS..EExtended strand (participates in β ladder)trans-153.6137.3-177.756.388000111.3L213 H217 S227 A229 I295 H300L213-L215 HydrophobicContact CB-CD2 3.74Å; L213-L215 HydrophobicContact CB-CG 4.08Å; L213-L215 HydrophobicContact CD1-CD2 4.2Å; L213-L215 PolarHBondContact O-N 3.24Å; L215-H217 HydrophobicContact CD1-CB 3.56Å; L215-H217 PolarHBondContact O-N 3.36Å; L215-H217 PolarHBondContact O-ND1 3.46Å; L215-S227 CarbonylContact C-O 3.58Å; L215-S227 VanDerWaalsContact C-O 3.29Å; L215-S227 PolarHBondContact N-O 3.19Å; L215-S227 CarbonylContact O-C 3.55Å; L215-A229 HydrophobicContact CD1-CB 3.7Å; L215-A229 HydrophobicContact CG-CB 4.23Å; L215-I295 HydrophobicContact CB-CD1 4.32Å; L215-H300 HydrophobicContact CD1-CB 3.86Å
216C88.7Confident91.1Very high45 Ų4566.2 Ų66.230%0.30433%0.332SS..EExtended strand (participates in β ladder)trans-73.1122.9172.2-174.30000109.1K226 C253C216-K226 CarbonylContact C-O 3.48Å; C216-K226 WeakPolarHBondContact CA-O 3.48Å; C216-C253 WeakPolarHBondContact CA-SG 3.38Å; C216-C253 HydrophobicContact CB-CB 3.9Å; C216-C253 WeakPolarHBondContact CB-SG 3.42Å; C216-C253 WeakPolarHBondContact SG-CB 3.48Å; C216-C253 CovalentContact SG-SG 2.03Å; C216-C253 PolarHBondContact SG-SG 3.33Å
217H90.9Very high91.4Very high1 Ų166 Ų661%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-146.6154.7-177.171.3-58.1000113.4L215 F222 C225 K226 F228 H300 M302L215-H217 HydrophobicContact CD1-CB 3.56Å; L215-H217 PolarHBondContact O-N 3.36Å; L215-H217 PolarHBondContact O-ND1 3.46Å; H217-F222 AromaticContact CE1-CZ 3.72Å; H217-F222 AromaticContact NE2-CE1 3.92Å; H217-F222 AromaticContact NE2-CZ 3.43Å; H217-F222 WeakPolarHBondContact NE2-CZ 3.5Å; H217-C225 VanDerWaalsContact O-CA 3.26Å; H217-C225 WeakPolarHBondContact O-CA 3.17Å; H217-K226 PolarHBondContact N-O 3.01Å; H217-K226 PolarHBondContact ND1-O 3.26Å; H217-K226 PolarHBondContact O-N 3.45Å; H217-F228 VanDerWaalsContact CE1-C 3.46Å; H217-F228 PolarHBondContact CE1-O 2.86Å; H217-H300 VanDerWaalsContact CA-O 3.22Å; H217-H300 WeakPolarHBondContact CA-O 3.3Å; H217-H300 HydrophobicContact CB-CB 3.85Å; H217-H300 WeakPolarHBondContact CB-O 3.5Å; H217-M302 VanDerWaalsContact CD2-SD 3.56Å; H217-M302 PolarHBondContact NE2-SD 3.08Å
218S91.9Very high91.5Very high24 Ų2464 Ų6417%0.16832%0.319CS..EExtended strand (participates in β ladder)trans-92.3153.1164.158.20000110.6H300 Q301 M302S218-H300 PolarHBondContact N-O 2.85Å; S218-H300 VanDerWaalsContact N-O 3.14Å; S218-Q301 WeakPolarHBondContact O-CA 3.31Å; S218-Q301 VanDerWaalsContact OG-CG 3.28Å; S218-Q301 WeakPolarHBondContact OG-CG 3.29Å; S218-M302 PolarHBondContact O-N 2.98Å
219S92.3Very high91.6Very high13 Ų1363 Ų639%0.09131%0.312CS..EExtended strand (participates in β ladder)trans-145.1156.6-178.5-172.40000111.2L221 F222 M302S219-L221 PolarHBondContact O-N 3.3Å; S219-L221 WeakPolarHBondContact OG-CG 3.37Å; S219-L221 PolarHBondContact OG-N 2.89Å; S219-F222 VanDerWaalsContact CB-CE1 3.46Å; S219-M302 WeakPolarHBondContact CA-O 3.35Å; S219-M302 VanDerWaalsContact OG-CG 3.27Å; S219-M302 WeakPolarHBondContact OG-CG 3.38Å
220N91.7Very high91.6Very high93 Ų9357.6 Ų57.650%0.49729%0.292SS..THydrogen-bonded Turntrans-73.7-7.9167.369.2-39.7000113.1E303 R304N220-E303 HydrophobicContact CB-CG 4.34Å; N220-E303 WeakPolarHBondContact OD1-CA 3.14Å; N220-R304 PolarHBondContact ND2-O 2.95Å; N220-R304 PolarHBondContact OD1-N 2.94Å
221L90.1Very high91.6Very high78 Ų7859.8 Ų59.841%0.40830%0.303SS..THydrogen-bonded Turntrans-86.3-19.5-175.9-61.3177.3000114.1S219 M302 R304S219-L221 PolarHBondContact O-N 3.3Å; S219-L221 WeakPolarHBondContact OG-CG 3.37Å; S219-L221 PolarHBondContact OG-N 2.89Å; L221-M302 HydrophobicContact CD1-CE 4.01Å; L221-R304 HydrophobicContact CD1-CB 3.96Å; L221-R304 VanDerWaalsContact CD1-NH1 3.33Å; L221-R304 HydrophobicContact CD2-CB 4.17Å; L221-R304 HydrophobicContact CG-CB 4.27Å
222F90.4Very high91.4Very high40 Ų4055.4 Ų55.418%0.17528%0.283CS..EExtended strand (participates in β ladder)trans-153.2159.9-176.750.8-102.3000110.1H217 S219 G224 K226 N249H217-F222 AromaticContact CE1-CZ 3.72Å; H217-F222 AromaticContact NE2-CE1 3.92Å; H217-F222 AromaticContact NE2-CZ 3.43Å; H217-F222 WeakPolarHBondContact NE2-CZ 3.5Å; S219-F222 VanDerWaalsContact CB-CE1 3.46Å; F222-G224 WeakPolarHBondContact CE2-O 3.27Å; F222-K226 HydrophobicContact CD1-CG 4.47Å; F222-K226 HydrophobicContact CD2-CG 3.69Å; F222-K226 HydrophobicContact CE1-CB 4.4Å; F222-K226 HydrophobicContact CE1-CG 4.19Å; F222-K226 HydrophobicContact CE2-CB 3.78Å; F222-K226 HydrophobicContact CE2-CG 3.37Å; F222-K226 HydrophobicContact CG-CG 4.24Å; F222-K226 HydrophobicContact CZ-CB 3.67Å; F222-K226 HydrophobicContact CZ-CG 3.63Å; F222-N249 VanDerWaalsContact CD1-ND2 3.3Å; F222-N249 WeakPolarHBondContact CD1-ND2 3.37Å; F222-N249 HydrophobicContact CE1-CB 4.17Å; F222-N249 WeakPolarHBondContact CE1-ND2 3.04Å
223Q89.6Confident91.1Very high189 Ų18952 Ų5288%0.88328%0.278SS*.EExtended strand (participates in β ladder)trans-84.9145.9174.1-65.9-177.9-5.100111.1
224G89.9Confident91Very high54 Ų5453.3 Ų53.356%0.55728%0.283SS*.EExtended strand (participates in β ladder)trans73.4-158.6-177.400000113.1F222F222-G224 WeakPolarHBondContact CE2-O 3.27Å
225C91.5Very high90.8Very high15 Ų1548 Ų4810%0.10126%0.258CS..EExtended strand (participates in β ladder)trans-122.5145.9-173.8-67.20000113.5H217 S252 C253 C255H217-C225 VanDerWaalsContact O-CA 3.26Å; H217-C225 WeakPolarHBondContact O-CA 3.17Å; C225-S252 VanDerWaalsContact O-CA 3.26Å; C225-S252 WeakPolarHBondContact O-CA 3.28Å; C225-C253 WeakPolarHBondContact CB-O 3.03Å; C225-C253 PolarHBondContact O-N 2.95Å; C225-C255 HydrophobicContact CB-CB 3.82Å; C225-C255 WeakPolarHBondContact CB-SG 3.33Å; C225-C255 WeakPolarHBondContact SG-CB 3.41Å; C225-C255 CovalentContact SG-SG 1.98Å; C225-C255 PolarHBondContact SG-SG 3.34Å
226K93.7Very high90.7Very high48 Ų4848.5 Ų48.521%0.20926%0.263CS..EExtended strand (participates in β ladder)trans-132.5148.2-172.5-66-66.7-179-175.70111.4C216 H217 F222 N249 G250 S252 C253C216-K226 CarbonylContact C-O 3.48Å; C216-K226 WeakPolarHBondContact CA-O 3.48Å; H217-K226 PolarHBondContact N-O 3.01Å; H217-K226 PolarHBondContact ND1-O 3.26Å; H217-K226 PolarHBondContact O-N 3.45Å; F222-K226 HydrophobicContact CD1-CG 4.47Å; F222-K226 HydrophobicContact CD2-CG 3.69Å; F222-K226 HydrophobicContact CE1-CB 4.4Å; F222-K226 HydrophobicContact CE1-CG 4.19Å; F222-K226 HydrophobicContact CE2-CB 3.78Å; F222-K226 HydrophobicContact CE2-CG 3.37Å; F222-K226 HydrophobicContact CG-CG 4.24Å; F222-K226 HydrophobicContact CZ-CB 3.67Å; F222-K226 HydrophobicContact CZ-CG 3.63Å; K226-N249 HydrophobicContact CB-CB 3.7Å; K226-N249 WeakPolarHBondContact CB-O 3.29Å; K226-N249 HydrophobicContact CD-CB 4.47Å; K226-N249 HydrophobicContact CG-CB 3.94Å; K226-G250 WeakPolarHBondContact CD-O 3.48Å; K226-S252 PolarHBondContact NZ-OG 3.23Å; K226-C253 PolarHBondContact N-SG 2.79Å; K226-C253 VanDerWaalsContact N-SG 3.45Å; K226-C253 PolarHBondContact O-SG 2.91Å; K226-C253 VanDerWaalsContact O-SG 3.35Å
227S93.1Very high90.3Very high23 Ų2347.1 Ų47.116%0.16125%0.252CS..EExtended strand (participates in β ladder)trans-80.2-15.8-16948.70000115.2L215 N249 P251L215-S227 CarbonylContact C-O 3.58Å; L215-S227 VanDerWaalsContact C-O 3.29Å; L215-S227 PolarHBondContact N-O 3.19Å; L215-S227 CarbonylContact O-C 3.55Å; S227-N249 PolarHBondContact N-O 2.04Å; S227-P251 PolarHBondContact N-O 2.91Å; S227-P251 WeakPolarHBondContact OG-CD 3.37Å; S227-P251 PolarHBondContact OG-O 3.05Å
228F93.7Very high89.6Confident34 Ų3448.8 Ų48.815%0.14926%0.263CS..EExtended strand (participates in β ladder)trans-126.7127.5177.4-52.3-46.3000111.7R212 L213 Q214 H217 Y230 N249R212-F228 HydrophobicContact CG-CB 3.97Å; R212-F228 HydrophobicContact CG-CG 4.25Å; L213-F228 WeakPolarHBondContact O-CA 3.48Å; Q214-F228 HydrophobicContact CG-CD1 3.76Å; Q214-F228 HydrophobicContact CG-CE1 3.48Å; Q214-F228 VanDerWaalsContact CG-CE1 3.48Å; H217-F228 VanDerWaalsContact CE1-C 3.46Å; H217-F228 PolarHBondContact CE1-O 2.86Å; F228-Y230 HydrophobicContact CB-CE2 4.48Å; F228-N249 PolarHBondContact N-O 2.82Å; F228-N249 WeakPolarHBondContact O-CA 3.46Å; F228-N249 PolarHBondContact O-OD1 3.32Å
229A92.3Very high88.7Confident0 Ų051.7 Ų51.70%028%0.281CS..EExtended strand (participates in β ladder)trans-100.9162166.800000110.2L213 L215 F278 M302L213-A229 HydrophobicContact CB-CB 4.31Å; L213-A229 PolarHBondContact N-O 3.28Å; L213-A229 PolarHBondContact O-N 2.88Å; L215-A229 HydrophobicContact CD1-CB 3.7Å; L215-A229 HydrophobicContact CG-CB 4.23Å; A229-F278 HydrophobicContact CB-CE1 4.41Å; A229-M302 HydrophobicContact CB-SD 4.24Å
230Y93Very high88.3Confident37 Ų3755.2 Ų55.215%0.14529%0.293CS..EExtended strand (participates in β ladder)trans-126.3131.4175.9-72.4-92.8000110.8R210 E211 R212 F228 D247 D248R210-Y230 HydrophobicContact CB-CD1 4.16Å; E211-Y230 CarbonylContact O-C 3.58Å; E211-Y230 WeakPolarHBondContact O-CA 3.43Å; R212-Y230 HydrophobicContact CB-CD1 4.14Å; R212-Y230 HydrophobicContact CB-CE1 3.75Å; R212-Y230 HydrophobicContact CG-CE1 3.96Å; R212-Y230 HydrophobicContact CG-CE2 4.48Å; F228-Y230 HydrophobicContact CB-CE2 4.48Å; Y230-D247 HydrophobicContact CD2-CB 3.8Å; Y230-D247 WeakPolarHBondContact CD2-OD1 3.37Å; Y230-D247 HydrophobicContact CE2-CB 3.93Å; Y230-D247 VanDerWaalsContact CG-OD1 3.3Å; Y230-D248 WeakPolarHBondContact CE2-O 3.46Å; Y230-D248 PolarHBondContact OH-O 2.78Å; Y230-D248 VanDerWaalsContact OH-O 3.09Å
231K91.2Very high88Confident98 Ų9851.5 Ų51.543%0.42628%0.276SS..EExtended strand (participates in β ladder)trans-106.6129.6172.3-176.2-179.1178.2-175.80110.2R210 E211 L213 V233 E276R210-K231 CarbonylContact C-O 3.54Å; R210-K231 VanDerWaalsContact CA-O 3.24Å; R210-K231 WeakPolarHBondContact CA-O 3.32Å; E211-K231 PolarHBondContact N-O 3.34Å; E211-K231 PolarHBondContact O-N 2.79Å; L213-K231 HydrophobicContact CD1-CB 4.23Å; K231-V233 PolarHBondContact O-N 3Å; K231-E276 WeakPolarHBondContact CA-OE2 3.23Å
232T90Very high87.9Confident11 Ų1153.4 Ų53.47%0.06728%0.283CS..EExtended strand (participates in β ladder)trans-78.9110.3177.3-550000109.9E276T232-E276 PolarHBondContact N-OE2 3.3Å; T232-E276 PolarHBondContact OG1-OE1 2.88Å; T232-E276 PolarHBondContact OG1-OE2 3.09Å
233V89Confident87.8Confident69 Ų6956.2 Ų56.242%0.41831%0.307SS..EExtended strand (participates in β ladder)trans-91.3-27.2178.6-175.80000110.9R209 E211 K231R209-V233 PolarHBondContact O-N 3.48Å; E211-V233 HydrophobicContact CB-CG2 3.65Å; K231-V233 PolarHBondContact O-N 3Å
234Q88.4Confident87.8Confident71 Ų7148.3 Ų48.333%0.33227%0.273SS..EExtended strand (participates in β ladder)trans-144.2128.4179.6-170.417033.900110.5T206 N207 C208 R209T206-Q234 VanDerWaalsContact CG2-NE2 3.33Å; N207-Q234 PolarHBondContact O-OE1 2.95Å; C208-Q234 WeakPolarHBondContact CA-O 3.08Å; R209-Q234 HydrophobicContact CB-CB 3.8Å; R209-Q234 PolarHBondContact N-O 2.79Å; R209-Q234 PolarHBondContact O-N 3.14Å
235Q86.5Confident87.7Confident38 Ų3854.5 Ų54.518%0.17828%0.284CS..  trans-76.6144.9176-61.1-65-33.600110.6T206 E237 I274T206-Q235 PolarHBondContact OG1-O 3.29Å; Q235-E237 PolarHBondContact O-N 2.71Å; Q235-I274 PolarHBondContact NE2-O 3.21Å
236P86.5Confident87.6Confident38 Ų3859.8 Ų59.825%0.24732%0.318CS..  trans-65.7132.2170.528.3-32.2000110.2C208 P238 H242C208-P236 HydrophobicContact CB-CB 3.98Å; C208-P236 HydrophobicContact CB-CG 4.16Å; P236-P238 WeakPolarHBondContact O-CD 3.42Å; P236-H242 WeakPolarHBondContact CB-O 3.05Å
237E81.7Confident87.4Confident16 Ų1659.2 Ų59.28%0.07532%0.318CS..  trans-92.3115.7178.7-176.1-178-171.200111.5K45 S205 T206 Q235 G241K45-E237 IonicContact NZ-OE2 3.5Å; S205-E237 WeakPolarHBondContact CA-OE2 3.36Å; T206-E237 PolarHBondContact N-OE2 2.72Å; T206-E237 PolarHBondContact O-N 3.34Å; T206-E237 VanDerWaalsContact OG1-CB 3.32Å; T206-E237 WeakPolarHBondContact OG1-CB 3.21Å; Q235-E237 PolarHBondContact O-N 2.71Å; E237-G241 VanDerWaalsContact O-CA 3.24Å; E237-G241 WeakPolarHBondContact O-CA 3.45Å; E237-G241 PolarHBondContact O-N 2.89Å
238P75.5Confident87.3Confident35 Ų3563.3 Ų63.323%0.22734%0.338CS..THydrogen-bonded Turntrans-70.3154.3-179.6-20.934.6000114.4P236 K335P236-P238 WeakPolarHBondContact O-CD 3.42Å; P238-K335 PolarHBondContact O-NZ 2.95Å
239P73.7Confident87.2Confident86 Ų8663 Ų6356%0.55834%0.338SS*.THydrogen-bonded Turncis-91.1-4.5-4.836.8-36.3000113.3
240Y83.1Confident87.3Confident87 Ų8763.7 Ų63.734%0.34135%0.345SS..THydrogen-bonded Turntrans-102.3-19.4-167.4-54.7-65.8000114.3I5 F44 H242I5-Y240 HydrophobicContact CD1-CE1 4.47Å; F44-Y240 HydrophobicContact CD1-CD2 4.14Å; F44-Y240 AromaticContact CD1-CE2 3.49Å; F44-Y240 HydrophobicContact CD1-CE2 3.49Å; F44-Y240 VanDerWaalsContact CD1-CE2 3.49Å; F44-Y240 HydrophobicContact CE1-CD2 4.25Å; F44-Y240 HydrophobicContact CE1-CE1 4.42Å; F44-Y240 AromaticContact CE1-CE2 3.43Å; F44-Y240 HydrophobicContact CE1-CE2 3.43Å; F44-Y240 VanDerWaalsContact CE1-CE2 3.43Å; F44-Y240 AromaticContact CE1-CZ 3.54Å; F44-Y240 WeakPolarHBondContact CE1-OH 3.4Å; F44-Y240 HydrophobicContact CZ-CE2 4.43Å; Y240-H242 PolarHBondContact O-N 3.24Å
241G84.8Confident87.3Confident14 Ų1466.2 Ų66.214%0.14437%0.366CS..SBendtrans-63.6129.5175.100000110.9T206 E237T206-G241 WeakPolarHBondContact O-CA 3.32Å; E237-G241 VanDerWaalsContact O-CA 3.24Å; E237-G241 WeakPolarHBondContact O-CA 3.45Å; E237-G241 PolarHBondContact O-N 2.89Å
242H88.1Confident87.4Confident119 Ų11965.9 Ų65.955%0.55138%0.376SS*.PPolyproline II helixtrans-67.3136.4179.9-65-54.8000111.3N207 C208 P236 Y240N207-H242 HydrophobicContact CB-CB 4.4Å; N207-H242 PolarHBondContact OD1-CD2 2.94Å; N207-H242 VanDerWaalsContact OD1-CD2 3.24Å; N207-H242 PolarHBondContact OD1-N 3.34Å; C208-H242 WeakPolarHBondContact CB-O 3.08Å; C208-H242 PolarHBondContact N-O 3.27Å; P236-H242 WeakPolarHBondContact CB-O 3.05Å; Y240-H242 PolarHBondContact O-N 3.24Å
243S88.8Confident87.3Confident98 Ų9867.1 Ų67.169%0.68539%0.385SS*.PPolyproline II helixtrans-59.5158.6169.154.30000110.7K245S243-K245 PolarHBondContact O-N 2.04Å
244C88.6Confident87.2Confident23 Ų2371.4 Ų71.416%0.15540%0.4CS..PPolyproline II helixtrans-62.5135.5176.2-38.60000109.7C208 R210 I274C208-C244 HydrophobicContact CB-CB 3.77Å; C208-C244 VanDerWaalsContact CB-N 3.35Å; C208-C244 WeakPolarHBondContact CB-SG 3.47Å; C208-C244 VanDerWaalsContact SG-CA 3.6Å; C208-C244 WeakPolarHBondContact SG-CB 3.21Å; C208-C244 CovalentContact SG-SG 2.01Å; C208-C244 PolarHBondContact SG-SG 3.02Å; R210-C244 HydrophobicContact CG-CB 4.48Å; R210-C244 VanDerWaalsContact CZ-CB 3.46Å; R210-C244 VanDerWaalsContact NE-CB 3.31Å; C244-I274 WeakPolarHBondContact SG-CD1 3.24Å
245K89.7Confident86.7Confident184 Ų18470 Ų7080%0.840%0.397SS*.PPolyproline II helixtrans-56.8144.2168.6-65.6-176.3178.7-177.90109.5R210 S243R210-K245 PolarHBondContact NH2-O 3.12Å; S243-K245 PolarHBondContact O-N 2.04Å
246P89.3Confident86Confident126 Ų12671.8 Ų71.882%0.81841%0.414SS*.PPolyproline II helixtrans-47.6143.7175.1-26.934.7000112.4
247D87.7Confident85.2Confident37 Ų3770.5 Ų70.520%0.19841%0.406CS..PPolyproline II helixtrans-72.9132.3178.8-70.2-37.2000110.7R210 Y230 N249 R304R210-D247 VanDerWaalsContact CZ-CG 3.46Å; R210-D247 IonicContact CZ-OD1 3.28Å; R210-D247 IonicContact CZ-OD2 3.78Å; R210-D247 IonicContact NE-OD1 2.65Å; R210-D247 PolarHBondContact NE-OD1 3.16Å; R210-D247 IonicContact NH1-OD1 3.03Å; R210-D247 PolarHBondContact NH1-OD1 3.2Å; R210-D247 IonicContact NH1-OD2 3.92Å; R210-D247 PolarHBondContact NH1-OD2 3.3Å; R210-D247 IonicContact NH2-OD1 2.77Å; R210-D247 PolarHBondContact NH2-OD1 3.09Å; R210-D247 IonicContact NH2-OD2 3.68Å; Y230-D247 HydrophobicContact CD2-CB 3.8Å; Y230-D247 WeakPolarHBondContact CD2-OD1 3.37Å; Y230-D247 HydrophobicContact CE2-CB 3.93Å; Y230-D247 VanDerWaalsContact CG-OD1 3.3Å; D247-N249 WeakPolarHBondContact CB-OD1 3.31Å; D247-R304 IonicContact OD2-CZ 3.22Å; D247-R304 VanDerWaalsContact OD2-CZ 3.28Å; D247-R304 IonicContact OD2-NH1 2.82Å; D247-R304 PolarHBondContact OD2-NH1 2.93Å; D247-R304 IonicContact OD2-NH2 2.81Å; D247-R304 PolarHBondContact OD2-NH2 2.87Å
248D92.2Very high84.2Confident109 Ų10974.2 Ų74.258%0.58344%0.44SS*.  trans-97.887.1162.2179.99.6000108.3Y230 G250Y230-D248 WeakPolarHBondContact CE2-O 3.46Å; Y230-D248 PolarHBondContact OH-O 2.78Å; Y230-D248 VanDerWaalsContact OH-O 3.09Å; D248-G250 PolarHBondContact O-N 3.42Å; D248-G250 PolarHBondContact OD1-N 3.01Å; D248-G250 VanDerWaalsContact OD1-N 3.07Å
249N91.9Very high83.8Confident26 Ų2680.5 Ų80.514%0.13947%0.471CS..  trans-690.9-179.1-58-43.5000112.6F222 K226 S227 F228 D247F222-N249 VanDerWaalsContact CD1-ND2 3.3Å; F222-N249 WeakPolarHBondContact CD1-ND2 3.37Å; F222-N249 HydrophobicContact CE1-CB 4.17Å; F222-N249 WeakPolarHBondContact CE1-ND2 3.04Å; K226-N249 HydrophobicContact CB-CB 3.7Å; K226-N249 WeakPolarHBondContact CB-O 3.29Å; K226-N249 HydrophobicContact CD-CB 4.47Å; K226-N249 HydrophobicContact CG-CB 3.94Å; S227-N249 PolarHBondContact N-O 2.04Å; F228-N249 PolarHBondContact N-O 2.82Å; F228-N249 WeakPolarHBondContact O-CA 3.46Å; F228-N249 PolarHBondContact O-OD1 3.32Å; D247-N249 WeakPolarHBondContact CB-OD1 3.31Å
250G92.9Very high83.7Confident16 Ų1677.3 Ų77.317%0.16545%0.451CS..  trans77-169.2177.300000113.9K226 D248K226-G250 WeakPolarHBondContact CD-O 3.48Å; D248-G250 PolarHBondContact O-N 3.42Å; D248-G250 PolarHBondContact OD1-N 3.01Å; D248-G250 VanDerWaalsContact OD1-N 3.07Å
251P94.2Very high83.6Confident89 Ų8976.5 Ų76.558%0.57846%0.462SS*.SBendtrans-64.3159.5177.327.2-36.1000111.7S227S227-P251 PolarHBondContact N-O 2.91Å; S227-P251 WeakPolarHBondContact OG-CD 3.37Å; S227-P251 PolarHBondContact OG-O 3.05Å
252S92.2Very high83.7Confident92 Ų9279.6 Ų79.664%0.64347%0.47SS*.BIsolated β-bridgetrans-63139.4169.8-57.70000110.4C225 K226C225-S252 VanDerWaalsContact O-CA 3.26Å; C225-S252 WeakPolarHBondContact O-CA 3.28Å; K226-S252 PolarHBondContact NZ-OG 3.23Å
253C89.2Confident83.6Confident36 Ų3676.9 Ų76.924%0.24346%0.459CS..  trans-125.1159.5174.9600000109.6C216 C225 K226C216-C253 WeakPolarHBondContact CA-SG 3.38Å; C216-C253 HydrophobicContact CB-CB 3.9Å; C216-C253 WeakPolarHBondContact CB-SG 3.42Å; C216-C253 WeakPolarHBondContact SG-CB 3.48Å; C216-C253 CovalentContact SG-SG 2.03Å; C216-C253 PolarHBondContact SG-SG 3.33Å; C225-C253 WeakPolarHBondContact CB-O 3.03Å; C225-C253 PolarHBondContact O-N 2.95Å; K226-C253 PolarHBondContact N-SG 2.79Å; K226-C253 VanDerWaalsContact N-SG 3.45Å; K226-C253 PolarHBondContact O-SG 2.91Å; K226-C253 VanDerWaalsContact O-SG 3.35Å
254H85.7Confident83.7Confident159 Ų15980.9 Ų80.974%0.73647%0.467SS*.  trans-81.5120.4179.6-169.770.6000110.7
255C79Confident83.9Confident41 Ų4182.5 Ų82.528%0.27747%0.47SS..  trans-89.3102.7168.9-90.60000109.7C225 C257C225-C255 HydrophobicContact CB-CB 3.82Å; C225-C255 WeakPolarHBondContact CB-SG 3.33Å; C225-C255 WeakPolarHBondContact SG-CB 3.41Å; C225-C255 CovalentContact SG-SG 1.98Å; C225-C255 PolarHBondContact SG-SG 3.34Å; C255-C257 PolarHBondContact O-N 2.96Å
256S71.7Confident83.9Confident76 Ų7675.8 Ų75.853%0.53145%0.446SS..  trans-69.310.3178.2-48.40000114.4
257C69.2Low83.8Confident12 Ų1275.4 Ų75.48%0.08144%0.443CS..  trans-123.822.5-152-50.30000115.7C255 N259 S260 C299C255-C257 PolarHBondContact O-N 2.96Å; C257-N259 PolarHBondContact O-N 3.26Å; C257-N259 VanDerWaalsContact O-N 3.1Å; C257-S260 WeakPolarHBondContact CA-OG 3.32Å; C257-S260 WeakPolarHBondContact CB-OG 3.39Å; C257-S260 PolarHBondContact O-N 3Å; C257-C299 HydrophobicContact CB-CB 3.45Å; C257-C299 VanDerWaalsContact CB-CB 3.45Å; C257-C299 WeakPolarHBondContact CB-SG 2.95Å; C257-C299 WeakPolarHBondContact SG-CB 3.18Å; C257-C299 CovalentContact SG-SG 1.99Å; C257-C299 PolarHBondContact SG-SG 3.04Å
258A61.4Low83.7Confident94 Ų9477.5 Ų77.578%0.77745%0.449SS*.THydrogen-bonded Turntrans-54.4-32.5-179.100000112.8
259N66.5Low83.4Confident167 Ų16775.2 Ų75.289%0.89344%0.441SS*.THydrogen-bonded Turntrans-116.120.8-176.5-63.9-19000113.9C257C257-N259 PolarHBondContact O-N 3.26Å; C257-N259 VanDerWaalsContact O-N 3.1Å
260S70.5Confident82.8Confident19 Ų1975 Ų7513%0.13344%0.442CS..  trans-72.3146.3-179-75.70000113C257 W262 L282 C299C257-S260 WeakPolarHBondContact CA-OG 3.32Å; C257-S260 WeakPolarHBondContact CB-OG 3.39Å; C257-S260 PolarHBondContact O-N 3Å; S260-W262 PolarHBondContact O-N 3.16Å; S260-W262 VanDerWaalsContact O-N 3.16Å; S260-L282 WeakPolarHBondContact CB-O 3.07Å; S260-L282 PolarHBondContact OG-O 3.22Å; S260-C299 PolarHBondContact OG-SG 3.22Å
261A81.3Confident82.2Confident70 Ų7079.2 Ų79.258%0.57946%0.464SS*.  trans-67.4109.8164.100000109.1L282A261-L282 PolarHBondContact O-N 3.43Å
262W86.9Confident81.4Confident78 Ų7875.6 Ų75.630%0.29544%0.441SS..BIsolated β-bridgetrans-81.4132.9178.9-68.695.2000110.9S260 R279 C299 Q301S260-W262 PolarHBondContact O-N 3.16Å; S260-W262 VanDerWaalsContact O-N 3.16Å; W262-R279 HydrophobicContact CE3-CG 3.82Å; W262-R279 HydrophobicContact CZ3-CG 4.26Å; W262-C299 HydrophobicContact CH2-CB 3.97Å; W262-C299 HydrophobicContact CZ3-CB 4.11Å; W262-Q301 HydrophobicContact CE3-CB 4.4Å; W262-Q301 HydrophobicContact CH2-CB 3.79Å; W262-Q301 HydrophobicContact CZ3-CB 3.63Å
263L87.5Confident81Confident63 Ų6371.9 Ų71.933%0.3342%0.418SS..PPolyproline II helixtrans-71.4169167.6-57.2-175.8000110.5K280 L282 A288L263-K280 WeakPolarHBondContact CB-O 3.34Å; L263-K280 HydrophobicContact CD1-CB 4.16Å; L263-K280 PolarHBondContact N-O 2.84Å; L263-L282 HydrophobicContact CD2-CD1 4.26Å; L263-L282 HydrophobicContact CD2-CG 4.39Å; L263-A288 HydrophobicContact CD1-CB 4.32Å
264Q90.6Very high80.9Confident181 Ų18171.2 Ų71.285%0.84641%0.412SS*.PPolyproline II helixtrans-60.1149.6177-68.9-170.5-15.800111.8
265W91.9Very high81.1Confident57 Ų5763.7 Ų63.722%0.21638%0.377CS..PPolyproline II helixtrans-64.8139.8171.2-76.5104.9000111.2R277 F278 R279 Q301 E303W265-R277 HydrophobicContact CD2-CG 4.32Å; W265-R277 HydrophobicContact CE3-CB 4.2Å; W265-R277 HydrophobicContact CE3-CG 3.62Å; W265-R277 HydrophobicContact CZ3-CG 3.88Å; W265-F278 VanDerWaalsContact CE3-C 3.49Å; W265-R279 HydrophobicContact CD2-CB 3.87Å; W265-R279 HydrophobicContact CD2-CG 3.85Å; W265-R279 HydrophobicContact CE3-CB 3.66Å; W265-R279 HydrophobicContact CE3-CG 3.73Å; W265-R279 HydrophobicContact CG-CB 4.35Å; W265-R279 HydrophobicContact CH2-CG 3.8Å; W265-R279 HydrophobicContact CZ2-CG 3.9Å; W265-R279 VanDerWaalsContact CZ2-NE 3.3Å; W265-R279 HydrophobicContact CZ3-CB 4.07Å; W265-R279 HydrophobicContact CZ3-CG 3.7Å; W265-Q301 HydrophobicContact CH2-CB 4.29Å; W265-Q301 HydrophobicContact CH2-CG 3.87Å; W265-Q301 HydrophobicContact CZ2-CG 4.48Å; W265-E303 HydrophobicContact CH2-CB 4.21Å; W265-E303 HydrophobicContact CH2-CG 3.64Å; W265-E303 HydrophobicContact CZ2-CG 4.06Å; W265-E303 VanDerWaalsContact CZ2-OE1 3.27Å; W265-E303 WeakPolarHBondContact CZ2-OE1 3.26Å; W265-E303 HydrophobicContact CZ3-CB 4.42Å; W265-E303 HydrophobicContact CZ3-CG 4.33Å
266S89.7Confident81.6Confident44 Ų4461.8 Ų61.831%0.30836%0.364SS..PPolyproline II helixtrans-58.7155.5162.578.30000109.8R277 F278S266-R277 WeakPolarHBondContact OG-CA 3.36Å; S266-F278 VanDerWaalsContact CB-O 3.27Å; S266-F278 WeakPolarHBondContact CB-O 3.39Å; S266-F278 PolarHBondContact N-O 3.43Å; S266-F278 PolarHBondContact OG-N 3.45Å; S266-F278 PolarHBondContact OG-O 2.94Å
267P87.1Confident82.6Confident117 Ų11760.9 Ų60.976%0.7635%0.349SS*.PPolyproline II helixtrans-53.6155.1162.6-22.633.7000110.7
268W87.1Confident83.7Confident81 Ų8162.7 Ų62.731%0.30736%0.355SS..PPolyproline II helixtrans-62.4137.5170-72.4104.5000110.2S270 A275 R277 E303 K305W268-S270 PolarHBondContact O-N 3.29Å; W268-A275 HydrophobicContact CE3-CB 3.84Å; W268-A275 HydrophobicContact CZ3-CB 4.44Å; W268-R277 HydrophobicContact CD2-CB 4.22Å; W268-R277 HydrophobicContact CD2-CG 4.17Å; W268-R277 HydrophobicContact CE3-CB 3.95Å; W268-R277 HydrophobicContact CE3-CG 3.88Å; W268-R277 HydrophobicContact CH2-CG 3.78Å; W268-R277 HydrophobicContact CZ2-CG 4.07Å; W268-R277 VanDerWaalsContact CZ2-NE 3.34Å; W268-R277 HydrophobicContact CZ3-CB 4.22Å; W268-R277 HydrophobicContact CZ3-CG 3.69Å; W268-E303 HydrophobicContact CH2-CB 4.19Å; W268-K305 HydrophobicContact CH2-CB 4.07Å; W268-K305 HydrophobicContact CZ3-CB 4.16Å
269S84.5Confident85.1Confident62 Ų6260.9 Ų60.943%0.43433%0.328SS..SBendtrans-65.7-19.1178.865.20000113.9E276S269-E276 WeakPolarHBondContact CB-O 3.13Å; S269-E276 PolarHBondContact N-O 2.94Å; S269-E276 PolarHBondContact OG-N 3.16Å; S269-E276 PolarHBondContact OG-O 3.07Å
270S80.8Confident86.1Confident22 Ų2256.4 Ų56.415%0.15430%0.301CS..  trans-157.9155.7-178.3-175.70000110.8W268 C272 A275 Y307W268-S270 PolarHBondContact O-N 3.29Å; S270-C272 WeakPolarHBondContact CB-O 3.43Å; S270-C272 PolarHBondContact OG-N 3.01Å; S270-C272 VanDerWaalsContact OG-N 3.14Å; S270-C272 PolarHBondContact OG-O 2.99Å; S270-A275 VanDerWaalsContact O-CB 3.25Å; S270-A275 WeakPolarHBondContact O-CB 3.38Å; S270-Y307 WeakPolarHBondContact O-CE2 3.31Å
271T78.6Confident86.9Confident103 Ų10355.5 Ų55.563%0.63229%0.294SS*.SBendtrans-102.30.717155.80000112.7
272C79.1Confident87Confident13 Ų1353.4 Ų53.49%0.08827%0.274CS..SBendtrans-139.4159179.560.80000111S270 I274 I309 C311S270-C272 WeakPolarHBondContact CB-O 3.43Å; S270-C272 PolarHBondContact OG-N 3.01Å; S270-C272 VanDerWaalsContact OG-N 3.14Å; S270-C272 PolarHBondContact OG-O 2.99Å; C272-I274 PolarHBondContact O-N 2.97Å; C272-I309 HydrophobicContact CB-CG2 4.28Å; C272-C311 HydrophobicContact CB-CB 4.05Å; C272-C311 WeakPolarHBondContact CB-SG 3.43Å; C272-C311 PolarHBondContact O-SG 3.42Å; C272-C311 WeakPolarHBondContact SG-CA 3.46Å; C272-C311 WeakPolarHBondContact SG-CB 3.22Å; C272-C311 CovalentContact SG-SG 2.04Å; C272-C311 PolarHBondContact SG-SG 2.88Å
273G83.2Confident86.6Confident15 Ų1552.9 Ų52.916%0.15528%0.276CS..SBendtrans56.7-134.1178.300000112.9V306 Y307 I309G273-V306 CarbonylContact O-C 3.44Å; G273-V306 WeakPolarHBondContact O-CA 3.48Å; G273-Y307 PolarHBondContact O-N 3.06Å; G273-I309 PolarHBondContact N-O 3.14Å
274I87.8Confident86Confident22 Ų2253 Ų5311%0.11329%0.293CS..EExtended strand (participates in β ladder)trans-83.2118.6-180-56.9168.1000109.2Q235 C244 C272 E276 R304 V306Q235-I274 PolarHBondContact NE2-O 3.21Å; C244-I274 WeakPolarHBondContact SG-CD1 3.24Å; C272-I274 PolarHBondContact O-N 2.97Å; I274-E276 HydrophobicContact CG2-CG 4.47Å; I274-R304 HydrophobicContact CG2-CG 4.04Å; I274-V306 HydrophobicContact CG1-CG2 4.34Å
275A88.8Confident85.1Confident0 Ų052.8 Ų52.80%030%0.297CS..EExtended strand (participates in β ladder)trans-118138.9175.900000110.8W268 S270 R304 K305 Y307W268-A275 HydrophobicContact CE3-CB 3.84Å; W268-A275 HydrophobicContact CZ3-CB 4.44Å; S270-A275 VanDerWaalsContact O-CB 3.25Å; S270-A275 WeakPolarHBondContact O-CB 3.38Å; A275-R304 WeakPolarHBondContact O-CA 3.34Å; A275-K305 PolarHBondContact N-O 3.12Å; A275-K305 PolarHBondContact O-N 2.91Å; A275-K305 VanDerWaalsContact O-O 3.11Å; A275-Y307 HydrophobicContact CB-CD2 3.77Å; A275-Y307 HydrophobicContact CB-CE2 3.33Å
276E90.3Very high84.1Confident2 Ų250.9 Ų50.91%0.00930%0.296CS..EExtended strand (participates in β ladder)trans-132.4144.6-177.1-69.2161.1162.800108.9K231 T232 S269 I274 F278 E303 R304K231-E276 WeakPolarHBondContact CA-OE2 3.23Å; T232-E276 PolarHBondContact N-OE2 3.3Å; T232-E276 PolarHBondContact OG1-OE1 2.88Å; T232-E276 PolarHBondContact OG1-OE2 3.09Å; S269-E276 WeakPolarHBondContact CB-O 3.13Å; S269-E276 PolarHBondContact N-O 2.94Å; S269-E276 PolarHBondContact OG-N 3.16Å; S269-E276 PolarHBondContact OG-O 3.07Å; I274-E276 HydrophobicContact CG2-CG 4.47Å; E276-F278 HydrophobicContact CB-CE2 4.09Å; E276-F278 HydrophobicContact CB-CZ 4.49Å; E276-E303 VanDerWaalsContact CA-O 3.3Å; E276-E303 WeakPolarHBondContact CA-O 3.27Å; E276-R304 HydrophobicContact CG-CB 4.15Å; E276-R304 HydrophobicContact CG-CG 3.96Å; E276-R304 IonicContact OE1-CZ 3.01Å; E276-R304 IonicContact OE1-NE 2.83Å; E276-R304 PolarHBondContact OE1-NE 3.06Å; E276-R304 IonicContact OE1-NH2 3.77Å; E276-R304 PolarHBondContact OE1-NH2 3.15Å
277R92.1Very high83.5Confident56 Ų5651.6 Ų51.621%0.21130%0.299CS..EExtended strand (participates in β ladder)trans-136.8152.9170.363.1176.2-177.8173.43.6109.4W265 S266 W268 M302 E303W265-R277 HydrophobicContact CD2-CG 4.32Å; W265-R277 HydrophobicContact CE3-CB 4.2Å; W265-R277 HydrophobicContact CE3-CG 3.62Å; W265-R277 HydrophobicContact CZ3-CG 3.88Å; S266-R277 WeakPolarHBondContact OG-CA 3.36Å; W268-R277 HydrophobicContact CD2-CB 4.22Å; W268-R277 HydrophobicContact CD2-CG 4.17Å; W268-R277 HydrophobicContact CE3-CB 3.95Å; W268-R277 HydrophobicContact CE3-CG 3.88Å; W268-R277 HydrophobicContact CH2-CG 3.78Å; W268-R277 HydrophobicContact CZ2-CG 4.07Å; W268-R277 VanDerWaalsContact CZ2-NE 3.34Å; W268-R277 HydrophobicContact CZ3-CB 4.22Å; W268-R277 HydrophobicContact CZ3-CG 3.69Å; R277-M302 WeakPolarHBondContact O-CA 3.38Å; R277-E303 HydrophobicContact CG-CB 4Å; R277-E303 IonicContact CZ-OE2 2.59Å; R277-E303 PolarHBondContact N-O 3.24Å; R277-E303 IonicContact NE-OE2 3.59Å; R277-E303 PolarHBondContact NE-OE2 3.23Å; R277-E303 IonicContact NH2-OE1 2.65Å; R277-E303 IonicContact NH2-OE2 3.14Å; R277-E303 PolarHBondContact NH2-OE2 3.02Å; R277-E303 PolarHBondContact O-N 3.03Å
278F92Very high83Confident50 Ų5047.6 Ų47.622%0.21928%0.275CS..EExtended strand (participates in β ladder)trans-128.9147.1-176.8-62.2-91.9000109.2A229 W265 S266 E276 Q301 M302A229-F278 HydrophobicContact CB-CE1 4.41Å; W265-F278 VanDerWaalsContact CE3-C 3.49Å; S266-F278 VanDerWaalsContact CB-O 3.27Å; S266-F278 WeakPolarHBondContact CB-O 3.39Å; S266-F278 PolarHBondContact N-O 3.43Å; S266-F278 PolarHBondContact OG-N 3.45Å; S266-F278 PolarHBondContact OG-O 2.94Å; E276-F278 HydrophobicContact CB-CE2 4.09Å; E276-F278 HydrophobicContact CB-CZ 4.49Å; F278-Q301 WeakPolarHBondContact CA-O 3Å; F278-M302 HydrophobicContact CD1-CB 3.67Å; F278-M302 HydrophobicContact CE1-CB 3.57Å; F278-M302 HydrophobicContact CE1-SD 4.49Å; F278-M302 HydrophobicContact CZ-CB 4.41Å
279R90.3Very high82.6Confident57 Ų5749.2 Ų49.222%0.21529%0.286CS..EExtended strand (participates in β ladder)trans-134.7154.7165.466.1174.7176-176.12.8110W262 W265 Q301W262-R279 HydrophobicContact CE3-CG 3.82Å; W262-R279 HydrophobicContact CZ3-CG 4.26Å; W265-R279 HydrophobicContact CD2-CB 3.87Å; W265-R279 HydrophobicContact CD2-CG 3.85Å; W265-R279 HydrophobicContact CE3-CB 3.66Å; W265-R279 HydrophobicContact CE3-CG 3.73Å; W265-R279 HydrophobicContact CG-CB 4.35Å; W265-R279 HydrophobicContact CH2-CG 3.8Å; W265-R279 HydrophobicContact CZ2-CG 3.9Å; W265-R279 VanDerWaalsContact CZ2-NE 3.3Å; W265-R279 HydrophobicContact CZ3-CB 4.07Å; W265-R279 HydrophobicContact CZ3-CG 3.7Å; R279-Q301 HydrophobicContact CG-CB 4Å; R279-Q301 PolarHBondContact N-O 2.86Å; R279-Q301 PolarHBondContact O-N 2.9Å
280K88.8Confident82.2Confident72 Ų7250.3 Ų50.331%0.31328%0.284SS..EExtended strand (participates in β ladder)trans-103.4151.4173.5-55.9-177.3-172.5-177.50109.4L263 D292 C299L263-K280 WeakPolarHBondContact CB-O 3.34Å; L263-K280 HydrophobicContact CD1-CB 4.16Å; L263-K280 PolarHBondContact N-O 2.84Å; K280-D292 IonicContact NZ-OD1 3.87Å; K280-D292 PolarHBondContact NZ-OD1 2.84Å; K280-C299 CarbonylContact C-O 3.51Å; K280-C299 WeakPolarHBondContact CA-O 3.46Å
281G87.5Confident82.2Confident0 Ų049.4 Ų49.40%028%0.278CS..EExtended strand (participates in β ladder)trans-124.1150.5169.600000109.9C299G281-C299 PolarHBondContact N-O 3.49Å; G281-C299 PolarHBondContact O-N 3.41Å
282L83.1Confident82.1Confident27 Ų2749.6 Ų49.614%0.14128%0.275CS..EExtended strand (participates in β ladder)trans-87.9134.2179.5-58.5172.4000110S260 A261 L263 G286 T287 C291S260-L282 WeakPolarHBondContact CB-O 3.07Å; S260-L282 PolarHBondContact OG-O 3.22Å; A261-L282 PolarHBondContact O-N 3.43Å; L263-L282 HydrophobicContact CD2-CD1 4.26Å; L263-L282 HydrophobicContact CD2-CG 4.39Å; L282-G286 WeakPolarHBondContact CD1-O 3.49Å; L282-T287 WeakPolarHBondContact CD2-O 3.41Å; L282-C291 HydrophobicContact CD2-CB 3.87Å
283L78.1Confident82.1Confident66 Ų6658.2 Ų58.235%0.34631%0.306SS..  trans-89.7122.4172.5-163.879.2000109.8G286 T297L283-G286 PolarHBondContact O-N 2.8Å; L283-T297 WeakPolarHBondContact CB-O 3.42Å; L283-T297 PolarHBondContact N-O 2.99Å; L283-T297 VanDerWaalsContact N-O 3.15Å
284G74.8Confident81.8Confident67 Ų6761.2 Ų61.269%0.69132%0.318SS*.THydrogen-bonded Turntrans62.4-13417900000113.1G286G284-G286 VanDerWaalsContact C-N 3.3Å
285N71.8Confident81Confident175 Ų17565.1 Ų65.194%0.93634%0.338SS*.THydrogen-bonded Turntrans-89.714.8179.5-66.7-14.3000113.5
286G70.3Confident80.1Confident18 Ų1868.9 Ų68.919%0.18637%0.365CS..  trans-64.6152.1-177.400000113L282 L283 G284 E290L282-G286 WeakPolarHBondContact CD1-O 3.49Å; L283-G286 PolarHBondContact O-N 2.8Å; G284-G286 VanDerWaalsContact C-N 3.3Å; G286-E290 VanDerWaalsContact CA-OE2 3.22Å; G286-E290 WeakPolarHBondContact CA-OE2 3.18Å
287T76.8Confident79.4Confident59 Ų5970.5 Ų70.536%0.36238%0.375SS..  trans-92.6163.2175.458.20000111.9L282 E289 E290 C291L282-T287 WeakPolarHBondContact CD2-O 3.41Å; T287-E289 WeakPolarHBondContact CB-OE2 3.45Å; T287-E289 PolarHBondContact O-N 3Å; T287-E290 PolarHBondContact N-OE2 3.28Å; T287-E290 PolarHBondContact O-N 3.05Å; T287-E290 VanDerWaalsContact OG1-CD 3.26Å; T287-E290 VanDerWaalsContact OG1-CG 3.28Å; T287-E290 WeakPolarHBondContact OG1-CG 3.27Å; T287-E290 PolarHBondContact OG1-N 2.91Å; T287-E290 PolarHBondContact OG1-OE2 2.91Å; T287-C291 PolarHBondContact O-N 2.8Å; T287-C291 VanDerWaalsContact O-N 3.14Å
288A77.5Confident78.8Confident32 Ų3268.6 Ų68.626%0.26437%0.37SS..Hα-helixtrans-59.9-37.3176.800000111.9L263 E290 C291 D292L263-A288 HydrophobicContact CD1-CB 4.32Å; A288-E290 VanDerWaalsContact C-N 3.35Å; A288-E290 PolarHBondContact O-N 3.09Å; A288-C291 PolarHBondContact O-N 2.76Å; A288-D292 PolarHBondContact O-N 3.44Å
289E79.3Confident78.5Confident116 Ų11666.5 Ų66.554%0.54236%0.361SS..Hα-helixtrans-68.6-31.4178.7-62.273.2-160.900112.7T287 R293T287-E289 WeakPolarHBondContact CB-OE2 3.45Å; T287-E289 PolarHBondContact O-N 3Å; E289-R293 WeakPolarHBondContact O-CG 3.37Å; E289-R293 PolarHBondContact O-N 2.83Å; E289-R293 PolarHBondContact O-NE 2.75Å
290E76.3Confident78.5Confident84 Ų8465.1 Ų65.139%0.39336%0.357SS..Hα-helixtrans-71.3-42173.1-76.3165.2175.300111.3G286 T287 A288 D292 R293 N294 T297G286-E290 VanDerWaalsContact CA-OE2 3.22Å; G286-E290 WeakPolarHBondContact CA-OE2 3.18Å; T287-E290 PolarHBondContact N-OE2 3.28Å; T287-E290 PolarHBondContact O-N 3.05Å; T287-E290 VanDerWaalsContact OG1-CD 3.26Å; T287-E290 VanDerWaalsContact OG1-CG 3.28Å; T287-E290 WeakPolarHBondContact OG1-CG 3.27Å; T287-E290 PolarHBondContact OG1-N 2.91Å; T287-E290 PolarHBondContact OG1-OE2 2.91Å; A288-E290 VanDerWaalsContact C-N 3.35Å; A288-E290 PolarHBondContact O-N 3.09Å; E290-D292 PolarHBondContact O-N 2.82Å; E290-R293 PolarHBondContact O-N 2.82Å; E290-N294 PolarHBondContact O-N 2.91Å; E290-T297 PolarHBondContact O-OG1 2.81Å
291C78.8Confident78.6Confident3 Ų363.5 Ų63.52%0.0235%0.351CS..Hα-helixtrans-59.8-45.8174.7174.70000111.3L282 T287 A288 R293 N294 T297 C298L282-C291 HydrophobicContact CD2-CB 3.87Å; T287-C291 PolarHBondContact O-N 2.8Å; T287-C291 VanDerWaalsContact O-N 3.14Å; A288-C291 PolarHBondContact O-N 2.76Å; C291-R293 PolarHBondContact O-N 2.85Å; C291-N294 CarbonylContact O-C 3.48Å; C291-N294 PolarHBondContact O-N 3.1Å; C291-T297 WeakPolarHBondContact CA-OG1 3.5Å; C291-T297 PolarHBondContact N-OG1 3.29Å; C291-C298 WeakPolarHBondContact CA-SG 3.34Å; C291-C298 HydrophobicContact CB-CB 4.32Å; C291-C298 WeakPolarHBondContact CB-SG 3.1Å; C291-C298 PolarHBondContact O-SG 3.39Å; C291-C298 WeakPolarHBondContact SG-CB 3.17Å; C291-C298 CovalentContact SG-SG 2.02Å; C291-C298 PolarHBondContact SG-SG 2.79Å
292D77.8Confident78.9Confident108 Ų10863.6 Ų63.658%0.57835%0.351SS*.Hα-helixtrans-62.8-29.5177.9-76.5-19000113.9K280 A288 E290K280-D292 IonicContact NZ-OD1 3.87Å; K280-D292 PolarHBondContact NZ-OD1 2.84Å; A288-D292 PolarHBondContact O-N 3.44Å; E290-D292 PolarHBondContact O-N 2.82Å
293R79.2Confident79.4Confident194 Ų19464.4 Ų64.473%0.73235%0.354SS*.Hα-helixtrans-85.4-34.1178.4-74-178.6-73.7-162.70.7113.6E289 E290 C291E289-R293 WeakPolarHBondContact O-CG 3.37Å; E289-R293 PolarHBondContact O-N 2.83Å; E289-R293 PolarHBondContact O-NE 2.75Å; E290-R293 PolarHBondContact O-N 2.82Å; C291-R293 PolarHBondContact O-N 2.85Å
294N75.8Confident80.2Confident78 Ų7862.8 Ų62.842%0.41734%0.344SS..  trans-134107.2-174.9-169.7-2.3000112.1E290 C291 S296 T297E290-N294 PolarHBondContact O-N 2.91Å; C291-N294 CarbonylContact O-C 3.48Å; C291-N294 PolarHBondContact O-N 3.1Å; N294-S296 VanDerWaalsContact CG-OG 3.27Å; N294-S296 PolarHBondContact ND2-OG 3.04Å; N294-S296 PolarHBondContact O-N 2.64Å; N294-S296 PolarHBondContact OD1-N 2.92Å; N294-S296 PolarHBondContact OD1-OG 3Å; N294-T297 HydrophobicContact CB-CG2 4.38Å; N294-T297 PolarHBondContact O-N 2.82Å; N294-T297 PolarHBondContact O-OG1 3.01Å
295I71.5Confident80.9Confident103 Ų10364.7 Ų64.753%0.52833%0.333SS..G310 helixtrans-58.5-24.2-179-159.7165.5000113.3L215 T297 C298 H300L215-I295 HydrophobicContact CB-CD1 4.32Å; I295-T297 PolarHBondContact O-N 3.38Å; I295-C298 PolarHBondContact O-N 3.24Å; I295-C298 VanDerWaalsContact O-N 3.16Å; I295-H300 WeakPolarHBondContact CG1-NE2 3.36Å
296S71Confident81.7Confident79 Ų7961.1 Ų61.155%0.55232%0.317SS*.G310 helixtrans-71.3-17.9177.969.90000113.7N294 C298N294-S296 VanDerWaalsContact CG-OG 3.27Å; N294-S296 PolarHBondContact ND2-OG 3.04Å; N294-S296 PolarHBondContact O-N 2.64Å; N294-S296 PolarHBondContact OD1-N 2.92Å; N294-S296 PolarHBondContact OD1-OG 3Å; S296-C298 VanDerWaalsContact C-N 3.34Å
297T74Confident82.3Confident37 Ų3763 Ų6323%0.22732%0.319CS..G310 helixtrans-91.8-0.3174.264.50000112.7L283 E290 C291 N294 I295L283-T297 WeakPolarHBondContact CB-O 3.42Å; L283-T297 PolarHBondContact N-O 2.99Å; L283-T297 VanDerWaalsContact N-O 3.15Å; E290-T297 PolarHBondContact O-OG1 2.81Å; C291-T297 WeakPolarHBondContact CA-OG1 3.5Å; C291-T297 PolarHBondContact N-OG1 3.29Å; N294-T297 HydrophobicContact CB-CG2 4.38Å; N294-T297 PolarHBondContact O-N 2.82Å; N294-T297 PolarHBondContact O-OG1 3.01Å; I295-T297 PolarHBondContact O-N 3.38Å
298C81.3Confident82.3Confident16 Ų1665.7 Ų65.711%0.10834%0.34CS..EExtended strand (participates in β ladder)trans-106.7150179.9-61.70000113.3C291 I295 S296C291-C298 WeakPolarHBondContact CA-SG 3.34Å; C291-C298 HydrophobicContact CB-CB 4.32Å; C291-C298 WeakPolarHBondContact CB-SG 3.1Å; C291-C298 PolarHBondContact O-SG 3.39Å; C291-C298 WeakPolarHBondContact SG-CB 3.17Å; C291-C298 CovalentContact SG-SG 2.02Å; C291-C298 PolarHBondContact SG-SG 2.79Å; I295-C298 PolarHBondContact O-N 3.24Å; I295-C298 VanDerWaalsContact O-N 3.16Å; S296-C298 VanDerWaalsContact C-N 3.34Å
299C85.5Confident82.1Confident6 Ų666.9 Ų66.94%0.04134%0.342CS..EExtended strand (participates in β ladder)trans-106.8144.4162.8-490000108.9C257 S260 W262 K280 G281C257-C299 HydrophobicContact CB-CB 3.45Å; C257-C299 VanDerWaalsContact CB-CB 3.45Å; C257-C299 WeakPolarHBondContact CB-SG 2.95Å; C257-C299 WeakPolarHBondContact SG-CB 3.18Å; C257-C299 CovalentContact SG-SG 1.99Å; C257-C299 PolarHBondContact SG-SG 3.04Å; S260-C299 PolarHBondContact OG-SG 3.22Å; W262-C299 HydrophobicContact CH2-CB 3.97Å; W262-C299 HydrophobicContact CZ3-CB 4.11Å; K280-C299 CarbonylContact C-O 3.51Å; K280-C299 WeakPolarHBondContact CA-O 3.46Å; G281-C299 PolarHBondContact N-O 3.49Å; G281-C299 PolarHBondContact O-N 3.41Å
300H89.4Confident81.8Confident28 Ų2868.8 Ų68.813%0.1334%0.344CS..EExtended strand (participates in β ladder)trans-121138.1176.5-62.7-82000110.9L215 H217 S218 I295L215-H300 HydrophobicContact CD1-CB 3.86Å; H217-H300 VanDerWaalsContact CA-O 3.22Å; H217-H300 WeakPolarHBondContact CA-O 3.3Å; H217-H300 HydrophobicContact CB-CB 3.85Å; H217-H300 WeakPolarHBondContact CB-O 3.5Å; S218-H300 PolarHBondContact N-O 2.85Å; S218-H300 VanDerWaalsContact N-O 3.14Å; I295-H300 WeakPolarHBondContact CG1-NE2 3.36Å
301Q91.7Very high81.6Confident37 Ų3767 Ų6717%0.17334%0.34CS..EExtended strand (participates in β ladder)trans-132.5139.6169.2-171.8172.118.500109.6S218 W262 W265 F278 R279S218-Q301 WeakPolarHBondContact O-CA 3.31Å; S218-Q301 VanDerWaalsContact OG-CG 3.28Å; S218-Q301 WeakPolarHBondContact OG-CG 3.29Å; W262-Q301 HydrophobicContact CE3-CB 4.4Å; W262-Q301 HydrophobicContact CH2-CB 3.79Å; W262-Q301 HydrophobicContact CZ3-CB 3.63Å; W265-Q301 HydrophobicContact CH2-CB 4.29Å; W265-Q301 HydrophobicContact CH2-CG 3.87Å; W265-Q301 HydrophobicContact CZ2-CG 4.48Å; F278-Q301 WeakPolarHBondContact CA-O 3Å; R279-Q301 HydrophobicContact CG-CB 4Å; R279-Q301 PolarHBondContact N-O 2.86Å; R279-Q301 PolarHBondContact O-N 2.9Å
302M92.6Very high81.3Confident2 Ų268.2 Ų68.21%0.0135%0.349CS..EExtended strand (participates in β ladder)trans-118.6152.6173.183.5178.5-93.500110.9H217 S218 S219 L221 A229 R277 F278 R304H217-M302 VanDerWaalsContact CD2-SD 3.56Å; H217-M302 PolarHBondContact NE2-SD 3.08Å; S218-M302 PolarHBondContact O-N 2.98Å; S219-M302 WeakPolarHBondContact CA-O 3.35Å; S219-M302 VanDerWaalsContact OG-CG 3.27Å; S219-M302 WeakPolarHBondContact OG-CG 3.38Å; L221-M302 HydrophobicContact CD1-CE 4.01Å; A229-M302 HydrophobicContact CB-SD 4.24Å; R277-M302 WeakPolarHBondContact O-CA 3.38Å; F278-M302 HydrophobicContact CD1-CB 3.67Å; F278-M302 HydrophobicContact CE1-CB 3.57Å; F278-M302 HydrophobicContact CE1-SD 4.49Å; F278-M302 HydrophobicContact CZ-CB 4.41Å; M302-R304 HydrophobicContact CE-CB 4.21Å
303E94.8Very high81Confident44 Ų4463.4 Ų63.421%0.20632%0.323CS..EExtended strand (participates in β ladder)trans-128.5142.1162.1-79.1176.7-166.600109.7N220 W265 W268 E276 R277N220-E303 HydrophobicContact CB-CG 4.34Å; N220-E303 WeakPolarHBondContact OD1-CA 3.14Å; W265-E303 HydrophobicContact CH2-CB 4.21Å; W265-E303 HydrophobicContact CH2-CG 3.64Å; W265-E303 HydrophobicContact CZ2-CG 4.06Å; W265-E303 VanDerWaalsContact CZ2-OE1 3.27Å; W265-E303 WeakPolarHBondContact CZ2-OE1 3.26Å; W265-E303 HydrophobicContact CZ3-CB 4.42Å; W265-E303 HydrophobicContact CZ3-CG 4.33Å; W268-E303 HydrophobicContact CH2-CB 4.19Å; E276-E303 VanDerWaalsContact CA-O 3.3Å; E276-E303 WeakPolarHBondContact CA-O 3.27Å; R277-E303 HydrophobicContact CG-CB 4Å; R277-E303 IonicContact CZ-OE2 2.59Å; R277-E303 PolarHBondContact N-O 3.24Å; R277-E303 IonicContact NE-OE2 3.59Å; R277-E303 PolarHBondContact NE-OE2 3.23Å; R277-E303 IonicContact NH2-OE1 2.65Å; R277-E303 IonicContact NH2-OE2 3.14Å; R277-E303 PolarHBondContact NH2-OE2 3.02Å; R277-E303 PolarHBondContact O-N 3.03Å
304R93.3Very high80.8Confident32 Ų3257.6 Ų57.612%0.12130%0.302CS..EExtended strand (participates in β ladder)trans-121.8139.6170.9-176.4-175.8-69.71500.5110.7R210 N220 L221 D247 I274 A275 E276 M302R210-R304 VanDerWaalsContact NH1-NH1 3.13Å; N220-R304 PolarHBondContact ND2-O 2.95Å; N220-R304 PolarHBondContact OD1-N 2.94Å; L221-R304 HydrophobicContact CD1-CB 3.96Å; L221-R304 VanDerWaalsContact CD1-NH1 3.33Å; L221-R304 HydrophobicContact CD2-CB 4.17Å; L221-R304 HydrophobicContact CG-CB 4.27Å; D247-R304 IonicContact OD2-CZ 3.22Å; D247-R304 VanDerWaalsContact OD2-CZ 3.28Å; D247-R304 IonicContact OD2-NH1 2.82Å; D247-R304 PolarHBondContact OD2-NH1 2.93Å; D247-R304 IonicContact OD2-NH2 2.81Å; D247-R304 PolarHBondContact OD2-NH2 2.87Å; I274-R304 HydrophobicContact CG2-CG 4.04Å; A275-R304 WeakPolarHBondContact O-CA 3.34Å; E276-R304 HydrophobicContact CG-CB 4.15Å; E276-R304 HydrophobicContact CG-CG 3.96Å; E276-R304 IonicContact OE1-CZ 3.01Å; E276-R304 IonicContact OE1-NE 2.83Å; E276-R304 PolarHBondContact OE1-NE 3.06Å; E276-R304 IonicContact OE1-NH2 3.77Å; E276-R304 PolarHBondContact OE1-NH2 3.15Å; M302-R304 HydrophobicContact CE-CB 4.21Å
305K90.8Very high80.7Confident107 Ų10754.1 Ų54.147%0.46528%0.284SS..EExtended strand (participates in β ladder)trans-132.3143.5169.9-175.9175.1178.1177.80109.3W268 A275 Y307W268-K305 HydrophobicContact CH2-CB 4.07Å; W268-K305 HydrophobicContact CZ3-CB 4.16Å; A275-K305 PolarHBondContact N-O 3.12Å; A275-K305 PolarHBondContact O-N 2.91Å; A275-K305 VanDerWaalsContact O-O 3.11Å; K305-Y307 HydrophobicContact CD-CE1 4.06Å
306V87.8Confident80.6Confident101 Ų10151.6 Ų51.661%0.61227%0.269SS*.EExtended strand (participates in β ladder)trans-107.6113.2170.7-174.70000107.7G273 I274G273-V306 CarbonylContact O-C 3.44Å; G273-V306 WeakPolarHBondContact O-CA 3.48Å; I274-V306 HydrophobicContact CG1-CG2 4.34Å
307Y83Confident80.4Confident56 Ų5654.6 Ų54.622%0.2228%0.278CS..  trans-73.1142.2173.7-68.6-74.7000110.3S270 G273 A275 K305 I309S270-Y307 WeakPolarHBondContact O-CE2 3.31Å; G273-Y307 PolarHBondContact O-N 3.06Å; A275-Y307 HydrophobicContact CB-CD2 3.77Å; A275-Y307 HydrophobicContact CB-CE2 3.33Å; K305-Y307 HydrophobicContact CD-CE1 4.06Å; Y307-I309 PolarHBondContact O-N 3.28Å
308S77Confident80.1Confident116 Ų11655.1 Ų55.181%0.81128%0.282SS*.SBendtrans-66.6-24.5171.251.70000112.3R310S308-R310 PolarHBondContact O-N 3.15Å
309I73.3Confident79.3Confident57 Ų5757.9 Ų57.929%0.29231%0.313SS..SBendtrans-72.3123.6177-58.8171.7000109.5C272 G273 Y307C272-I309 HydrophobicContact CB-CG2 4.28Å; G273-I309 PolarHBondContact N-O 3.14Å; Y307-I309 PolarHBondContact O-N 3.28Å
310R73.5Confident78.5Confident157 Ų15760.5 Ų60.559%0.59233%0.326SS*.  trans-83.5139.6178.8-64.2175.9179.5176.11.3109.7S308 S312 S313S308-R310 PolarHBondContact O-N 3.15Å; R310-S312 PolarHBondContact O-N 3.39Å; R310-S312 VanDerWaalsContact O-N 3.14Å; R310-S313 WeakPolarHBondContact O-CB 3.47Å; R310-S313 PolarHBondContact O-N 3.43Å; R310-S313 PolarHBondContact O-OG 3.13Å
311C72.7Confident77.4Confident46 Ų4660.5 Ų60.531%0.31133%0.326SS..G310 helixtrans-65.8-20.1178.1-60.10000113.8C272 S313C272-C311 HydrophobicContact CB-CB 4.05Å; C272-C311 WeakPolarHBondContact CB-SG 3.43Å; C272-C311 PolarHBondContact O-SG 3.42Å; C272-C311 WeakPolarHBondContact SG-CA 3.46Å; C272-C311 WeakPolarHBondContact SG-CB 3.22Å; C272-C311 CovalentContact SG-SG 2.04Å; C272-C311 PolarHBondContact SG-SG 2.88Å; C311-S313 VanDerWaalsContact C-N 3.3Å
312S72Confident76.3Confident28 Ų2860 Ų6020%0.19632%0.324CS..G310 helixtrans-83.22.317558.10000114.4R310 Y314R310-S312 PolarHBondContact O-N 3.39Å; R310-S312 VanDerWaalsContact O-N 3.14Å; S312-Y314 VanDerWaalsContact C-N 3.29Å; S312-Y314 PolarHBondContact O-N 2.95Å
313S71.9Confident74.9Confident7 Ų766 Ų665%0.04936%0.355CS..G310 helixtrans-842.1-178.464.10000114.2R310 C311 H321 I322R310-S313 WeakPolarHBondContact O-CB 3.47Å; R310-S313 PolarHBondContact O-N 3.43Å; R310-S313 PolarHBondContact O-OG 3.13Å; C311-S313 VanDerWaalsContact C-N 3.3Å; S313-H321 WeakPolarHBondContact CB-NE2 3.49Å; S313-H321 PolarHBondContact OG-CD2 3.4Å; S313-H321 PolarHBondContact OG-NE2 3.46Å; S313-I322 WeakPolarHBondContact O-CB 3.17Å; S313-I322 VanDerWaalsContact O-CG2 3.23Å; S313-I322 WeakPolarHBondContact O-CG2 3.38Å; S313-I322 PolarHBondContact O-N 2.86Å
314Y73.2Confident73.2Confident73 Ų7370.7 Ų70.729%0.28638%0.382SS..BIsolated β-bridgetrans-93.6139.5177.5-66.3-83.7000111.7S312 F316 I320 H321 G340 V341S312-Y314 VanDerWaalsContact C-N 3.29Å; S312-Y314 PolarHBondContact O-N 2.95Å; Y314-F316 PolarHBondContact O-N 3.42Å; Y314-I320 WeakPolarHBondContact CA-O 3.43Å; Y314-H321 HydrophobicContact CE1-CB 4.37Å; Y314-G340 WeakPolarHBondContact O-CA 3.26Å; Y314-V341 VanDerWaalsContact O-CG2 3.29Å; Y314-V341 WeakPolarHBondContact O-CG2 3.42Å; Y314-V341 PolarHBondContact O-N 2.8Å; Y314-V341 VanDerWaalsContact O-N 3.11Å
315I73.7Confident71.8Confident5 Ų570.1 Ų70.13%0.02639%0.385CS..BIsolated β-bridgetrans-65.5126.2167.7-66.1173.3000108N317 T318 I320 V341 V353I315-N317 PolarHBondContact O-N 3.2Å; I315-T318 HydrophobicContact CB-CG2 4.45Å; I315-T318 WeakPolarHBondContact CB-OG1 3.5Å; I315-T318 HydrophobicContact CG2-CG2 3.84Å; I315-T318 WeakPolarHBondContact CG2-OG1 2.87Å; I315-T318 PolarHBondContact O-N 2.87Å; I315-T318 PolarHBondContact O-OG1 3.27Å; I315-I320 HydrophobicContact CB-CB 4.49Å; I315-I320 HydrophobicContact CD1-CB 4.14Å; I315-I320 HydrophobicContact CD1-CG2 3.91Å; I315-I320 PolarHBondContact N-O 2.66Å; I315-V341 CarbonylContact C-O 3.52Å; I315-V341 WeakPolarHBondContact CA-O 3.28Å; I315-V341 HydrophobicContact CG1-CG2 4.25Å; I315-V353 HydrophobicContact CD1-CG1 3.68Å
316F70.7Confident71Confident50 Ų5070 Ų7022%0.21939%0.393CS..THydrogen-bonded Turntrans-52.6136.6-175.8175.9-103.1000111.4Y314 T318 H336 Q338 N339 V341Y314-F316 PolarHBondContact O-N 3.42Å; F316-T318 PolarHBondContact O-N 2.66Å; F316-H336 HydrophobicContact CB-CB 3.94Å; F316-H336 AromaticContact CD1-CD2 3.96Å; F316-H336 AromaticContact CD1-CE1 3.46Å; F316-H336 VanDerWaalsContact CD1-CE1 3.46Å; F316-H336 WeakPolarHBondContact CD1-CE1 3.38Å; F316-H336 AromaticContact CD1-CG 3.89Å; F316-H336 AromaticContact CD1-ND1 3.56Å; F316-H336 AromaticContact CD1-NE2 3.74Å; F316-H336 AromaticContact CD2-CE1 3.93Å; F316-H336 AromaticContact CD2-ND1 3.39Å; F316-H336 WeakPolarHBondContact CD2-ND1 3.24Å; F316-H336 AromaticContact CE1-CE1 3.35Å; F316-H336 WeakPolarHBondContact CE1-CE1 3.05Å; F316-H336 AromaticContact CE1-ND1 3.82Å; F316-H336 AromaticContact CE1-NE2 3.84Å; F316-H336 AromaticContact CE2-CE1 3.86Å; F316-H336 AromaticContact CE2-ND1 3.69Å; F316-H336 HydrophobicContact CG-CB 4.2Å; F316-H336 AromaticContact CG-CE1 3.76Å; F316-H336 AromaticContact CG-CG 3.65Å; F316-H336 AromaticContact CG-ND1 3.34Å; F316-H336 VanDerWaalsContact CG-ND1 3.34Å; F316-H336 WeakPolarHBondContact CG-ND1 3.06Å; F316-H336 AromaticContact CZ-CE1 3.6Å; F316-H336 AromaticContact CZ-ND1 3.91Å; F316-Q338 HydrophobicContact CD2-CB 4.19Å; F316-Q338 HydrophobicContact CE2-CB 3.52Å; F316-Q338 HydrophobicContact CE2-CG 4.44Å; F316-Q338 HydrophobicContact CZ-CB 4.04Å; F316-N339 WeakPolarHBondContact CD2-O 3.1Å; F316-V341 PolarHBondContact N-O 3.27Å
317N66.3Low70.7Confident141 Ų14165.9 Ų65.975%0.75437%0.368SS*.THydrogen-bonded Turntrans55.921-174-74.3-6.6000115.5I315I315-N317 PolarHBondContact O-N 3.2Å
318T67.4Low70.9Confident48 Ų4867.2 Ų67.229%0.29438%0.379SS..SBendtrans-133.9163.8174.778.30000111.6I315 F316 I320 P352I315-T318 HydrophobicContact CB-CG2 4.45Å; I315-T318 WeakPolarHBondContact CB-OG1 3.5Å; I315-T318 HydrophobicContact CG2-CG2 3.84Å; I315-T318 WeakPolarHBondContact CG2-OG1 2.87Å; I315-T318 PolarHBondContact O-N 2.87Å; I315-T318 PolarHBondContact O-OG1 3.27Å; F316-T318 PolarHBondContact O-N 2.66Å; T318-I320 VanDerWaalsContact C-N 3.29Å; T318-I320 PolarHBondContact OG1-N 2.7Å; T318-P352 HydrophobicContact CG2-CB 4.15Å
319G65.5Low71.2Confident74 Ų7465 Ų6576%0.76336%0.358SS*.  trans-85.86.5168.900000114.3
320I67.3Low71.6Confident61 Ų6169.1 Ų69.131%0.31338%0.38SS..  trans-83.7124.6-171.1-57.2171.3000109.9Y314 I315 T318 A325 P352 V353Y314-I320 WeakPolarHBondContact CA-O 3.43Å; I315-I320 HydrophobicContact CB-CB 4.49Å; I315-I320 HydrophobicContact CD1-CB 4.14Å; I315-I320 HydrophobicContact CD1-CG2 3.91Å; I315-I320 PolarHBondContact N-O 2.66Å; T318-I320 VanDerWaalsContact C-N 3.29Å; T318-I320 PolarHBondContact OG1-N 2.7Å; I320-A325 HydrophobicContact CG2-CB 3.75Å; I320-P352 HydrophobicContact CD1-CB 4.33Å; I320-P352 HydrophobicContact CD1-CG 4.19Å; I320-V353 HydrophobicContact CD1-CG1 4.36Å; I320-V353 HydrophobicContact CG2-CG1 4.38Å
321H67.6Low72Confident28 Ų2862.3 Ų62.313%0.1336%0.359CS..BIsolated β-bridgetrans-89.8123.7179.6-174.4-117.1000111.7S313 Y314 L323 N324 A325S313-H321 WeakPolarHBondContact CB-NE2 3.49Å; S313-H321 PolarHBondContact OG-CD2 3.4Å; S313-H321 PolarHBondContact OG-NE2 3.46Å; Y314-H321 HydrophobicContact CE1-CB 4.37Å; H321-L323 VanDerWaalsContact C-N 3.33Å; H321-L323 WeakPolarHBondContact CE1-CB 3.1Å; H321-L323 VanDerWaalsContact CE1-CD1 3.43Å; H321-L323 WeakPolarHBondContact CE1-CD1 3.15Å; H321-L323 PolarHBondContact O-N 3.19Å; H321-N324 PolarHBondContact ND1-OD1 3.05Å; H321-N324 PolarHBondContact O-N 2.86Å; H321-A325 PolarHBondContact O-N 2.02Å; H321-A325 VanDerWaalsContact O-N 3.13Å
322I69Low72.5Confident26 Ų2662.7 Ų62.713%0.13336%0.36CS..THydrogen-bonded Turntrans-71.2-22-173.1-154.2150.5000114.5S313 N324 A325 I333 V341S313-I322 WeakPolarHBondContact O-CB 3.17Å; S313-I322 VanDerWaalsContact O-CG2 3.23Å; S313-I322 WeakPolarHBondContact O-CG2 3.38Å; S313-I322 PolarHBondContact O-N 2.86Å; I322-N324 PolarHBondContact O-N 3.31Å; I322-A325 WeakPolarHBondContact CG1-O 3.27Å; I322-A325 CarbonylContact O-C 3.57Å; I322-A325 PolarHBondContact O-N 2.77Å; I322-I333 HydrophobicContact CD1-CB 4.15Å; I322-I333 HydrophobicContact CD1-CD1 3.56Å; I322-I333 HydrophobicContact CD1-CG1 3.72Å; I322-I333 HydrophobicContact CD1-CG2 3.37Å; I322-I333 HydrophobicContact CG1-CD1 3.81Å; I322-I333 HydrophobicContact CG1-CG1 4.44Å; I322-V341 HydrophobicContact CB-CG2 4.1Å; I322-V341 HydrophobicContact CD1-CB 3.85Å; I322-V341 HydrophobicContact CD1-CG1 4.41Å; I322-V341 HydrophobicContact CD1-CG2 3.3Å; I322-V341 HydrophobicContact CG1-CG2 4.3Å; I322-V341 HydrophobicContact CG2-CG2 4.33Å
323L63Low73Confident128 Ų12864.3 Ų64.367%0.6737%0.366SS*.THydrogen-bonded Turntrans-68.2-19.2171.9-59.5172.9000111.4H321H321-L323 VanDerWaalsContact C-N 3.33Å; H321-L323 WeakPolarHBondContact CE1-CB 3.1Å; H321-L323 VanDerWaalsContact CE1-CD1 3.43Å; H321-L323 WeakPolarHBondContact CE1-CD1 3.15Å; H321-L323 PolarHBondContact O-N 3.19Å
324N59.4Low73.3Confident143 Ų14364.2 Ų64.277%0.76537%0.365SS*.THydrogen-bonded Turntrans-101.3-19.2178.3-59.410.4000112.1H321 I322H321-N324 PolarHBondContact ND1-OD1 3.05Å; H321-N324 PolarHBondContact O-N 2.86Å; I322-N324 PolarHBondContact O-N 3.31Å
325A62Low73.6Confident21 Ų2162.6 Ų62.617%0.17436%0.36CS..  trans-127.1108.9-177.500000110.3I320 H321 I322 V353I320-A325 HydrophobicContact CG2-CB 3.75Å; H321-A325 PolarHBondContact O-N 2.02Å; H321-A325 VanDerWaalsContact O-N 3.13Å; I322-A325 WeakPolarHBondContact CG1-O 3.27Å; I322-A325 CarbonylContact O-C 3.57Å; I322-A325 PolarHBondContact O-N 2.77Å; A325-V353 HydrophobicContact CB-CG1 4.33Å
326T75.6Confident73.7Confident105 Ų10563.4 Ų63.464%0.64436%0.363SS*.PPolyproline II helixtrans-74.8153.9158.950.30000109L328T326-L328 PolarHBondContact O-N 3.02Å
327C81.5Confident73.7Confident14 Ų1465.6 Ų65.610%0.09537%0.37CS..PPolyproline II helixtrans-64.2127.1169.1-57.40000108.8G331 I333 C343C327-G331 WeakPolarHBondContact CB-O 3.43Å; C327-I333 WeakPolarHBondContact SG-CG1 3.47Å; C327-C343 WeakPolarHBondContact CA-SG 3.46Å; C327-C343 HydrophobicContact CB-CB 3.77Å; C327-C343 WeakPolarHBondContact CB-SG 3.2Å; C327-C343 WeakPolarHBondContact SG-CA 3.42Å; C327-C343 WeakPolarHBondContact SG-CB 3.44Å; C327-C343 CovalentContact SG-SG 2.04Å; C327-C343 PolarHBondContact SG-SG 2.88Å
328L85.3Confident74Confident83 Ų8363.5 Ų63.544%0.43536%0.356SS..SBendtrans-74.4168.9177.4-59.8-180000110.4T326 N330 G331 V353 C354 D355T326-L328 PolarHBondContact O-N 3.02Å; L328-N330 VanDerWaalsContact C-N 3.28Å; L328-N330 PolarHBondContact O-N 3.13Å; L328-G331 PolarHBondContact O-N 3.2Å; L328-V353 WeakPolarHBondContact CB-O 3.26Å; L328-V353 HydrophobicContact CD1-CG2 4.43Å; L328-V353 PolarHBondContact N-O 2.98Å; L328-C354 WeakPolarHBondContact O-CB 3.39Å; L328-D355 HydrophobicContact CD1-CB 4.01Å
329N84.4Confident73.9Confident71 Ų7164.6 Ų64.638%0.3836%0.36SS..THydrogen-bonded Turntrans52.242.6172.6-60.3-47.6000114G331 F349 C354N329-G331 PolarHBondContact O-N 3.32Å; N329-F349 HydrophobicContact CB-CD1 3.66Å; N329-F349 HydrophobicContact CB-CD2 3.96Å; N329-F349 HydrophobicContact CB-CE1 3.6Å; N329-F349 HydrophobicContact CB-CE2 3.9Å; N329-F349 HydrophobicContact CB-CG 3.83Å; N329-F349 HydrophobicContact CB-CZ 3.72Å; N329-F349 VanDerWaalsContact ND2-CD1 3.27Å; N329-F349 WeakPolarHBondContact ND2-CD1 3.33Å; N329-F349 VanDerWaalsContact ND2-CE1 3.28Å; N329-F349 WeakPolarHBondContact ND2-CE1 3.32Å; N329-C354 PolarHBondContact ND2-O 2.81Å
330N80.8Confident74.2Confident142 Ų14261.5 Ų61.576%0.75933%0.328SS*.THydrogen-bonded Turntrans57.524.8-177.2-65.5-12.8000114.7L328 L346L328-N330 VanDerWaalsContact C-N 3.28Å; L328-N330 PolarHBondContact O-N 3.13Å; N330-L346 HydrophobicContact CB-CD1 3.9Å
331G82Confident74.7Confident15 Ų1559.2 Ų59.216%0.15532%0.317CS..  trans-61.2152.4171.200000112.3C327 L328 N329 K344C327-G331 WeakPolarHBondContact CB-O 3.43Å; L328-G331 PolarHBondContact O-N 3.2Å; N329-G331 PolarHBondContact O-N 3.32Å; G331-K344 CarbonylContact C-O 3.15Å; G331-K344 WeakPolarHBondContact CA-O 2.9Å
332T83.1Confident75.4Confident53 Ų5360.7 Ų60.733%0.32532%0.323SS..EExtended strand (participates in β ladder)trans-109.1128.6179.8-57.90000111.2T334 K344T332-T334 PolarHBondContact O-N 3.43Å; T332-T334 PolarHBondContact O-OG1 2.82Å; T332-K344 PolarHBondContact N-O 3.41Å; T332-K344 PolarHBondContact O-N 3.38Å
333I82.7Confident76.1Confident63 Ų6360 Ų6032%0.32332%0.321SS..EExtended strand (participates in β ladder)trans-68.1119.3174.9-59.1173.8000109.3I322 C327 V341I322-I333 HydrophobicContact CD1-CB 4.15Å; I322-I333 HydrophobicContact CD1-CD1 3.56Å; I322-I333 HydrophobicContact CD1-CG1 3.72Å; I322-I333 HydrophobicContact CD1-CG2 3.37Å; I322-I333 HydrophobicContact CG1-CD1 3.81Å; I322-I333 HydrophobicContact CG1-CG1 4.44Å; C327-I333 WeakPolarHBondContact SG-CG1 3.47Å; I333-V341 HydrophobicContact CG2-CB 4.02Å; I333-V341 HydrophobicContact CG2-CG1 3.97Å
334T79.7Confident76.9Confident5 Ų557 Ų573%0.03130%0.303CS..EExtended strand (participates in β ladder)trans-117.4144179.9-57.30000110.3S41 T332 V341 F342S41-T334 WeakPolarHBondContact O-CG2 3.09Å; T332-T334 PolarHBondContact O-N 3.43Å; T332-T334 PolarHBondContact O-OG1 2.82Å; T334-V341 CarbonylContact O-C 3.58Å; T334-V341 WeakPolarHBondContact O-CA 3.38Å; T334-F342 HydrophobicContact CG2-CD1 4.29Å; T334-F342 HydrophobicContact CG2-CE1 3.41Å; T334-F342 VanDerWaalsContact CG2-CE1 3.41Å; T334-F342 HydrophobicContact CG2-CE2 4.23Å; T334-F342 HydrophobicContact CG2-CZ 3.37Å; T334-F342 PolarHBondContact N-O 3.28Å; T334-F342 PolarHBondContact O-N 3.2Å
335K78Confident78.1Confident39 Ų3951.9 Ų51.917%0.1728%0.277CS..EExtended strand (participates in β ladder)trans-83.3127.2177.6-69.8-174.1177.6-177.60111.9S41 R43 G46 P238 V341S41-K335 PolarHBondContact O-N 2.71Å; R43-K335 WeakPolarHBondContact O-CE 3.33Å; R43-K335 PolarHBondContact O-NZ 2.85Å; G46-K335 PolarHBondContact N-O 3.19Å; P238-K335 PolarHBondContact O-NZ 2.95Å; K335-V341 HydrophobicContact CG-CG1 4.48Å
336H76.9Confident79Confident22 Ų2254.8 Ų54.810%0.10229%0.289CS..  trans-81.9146.4179.9-166.1-102.9000112.3K45 F316 Q338 N339 G340 F342K45-H336 WeakPolarHBondContact CG-O 3.37Å; F316-H336 HydrophobicContact CB-CB 3.94Å; F316-H336 AromaticContact CD1-CD2 3.96Å; F316-H336 AromaticContact CD1-CE1 3.46Å; F316-H336 VanDerWaalsContact CD1-CE1 3.46Å; F316-H336 WeakPolarHBondContact CD1-CE1 3.38Å; F316-H336 AromaticContact CD1-CG 3.89Å; F316-H336 AromaticContact CD1-ND1 3.56Å; F316-H336 AromaticContact CD1-NE2 3.74Å; F316-H336 AromaticContact CD2-CE1 3.93Å; F316-H336 AromaticContact CD2-ND1 3.39Å; F316-H336 WeakPolarHBondContact CD2-ND1 3.24Å; F316-H336 AromaticContact CE1-CE1 3.35Å; F316-H336 WeakPolarHBondContact CE1-CE1 3.05Å; F316-H336 AromaticContact CE1-ND1 3.82Å; F316-H336 AromaticContact CE1-NE2 3.84Å; F316-H336 AromaticContact CE2-CE1 3.86Å; F316-H336 AromaticContact CE2-ND1 3.69Å; F316-H336 HydrophobicContact CG-CB 4.2Å; F316-H336 AromaticContact CG-CE1 3.76Å; F316-H336 AromaticContact CG-CG 3.65Å; F316-H336 AromaticContact CG-ND1 3.34Å; F316-H336 VanDerWaalsContact CG-ND1 3.34Å; F316-H336 WeakPolarHBondContact CG-ND1 3.06Å; F316-H336 AromaticContact CZ-CE1 3.6Å; F316-H336 AromaticContact CZ-ND1 3.91Å; H336-Q338 VanDerWaalsContact C-N 3.33Å; H336-Q338 PolarHBondContact ND1-N 2.91Å; H336-Q338 VanDerWaalsContact ND1-N 3.12Å; H336-Q338 PolarHBondContact O-N 3.29Å; H336-N339 PolarHBondContact O-N 3.49Å; H336-G340 PolarHBondContact N-O 3.34Å; H336-F342 HydrophobicContact CB-CD1 4.07Å
337W70.4Confident79Confident95 Ų9555.2 Ų55.236%0.3629%0.294SS..THydrogen-bonded Turntrans-73.8-16.8-177.569.5-89.1000114.4K45 W116 Y203 N339K45-W337 WeakPolarHBondContact CE-O 3.22Å; K45-W337 PolarHBondContact NZ-O 2.68Å; W116-W337 AromaticContact CZ3-CD1 3.73Å; W116-W337 AromaticContact CZ3-NE1 3.96Å; Y203-W337 HydrophobicContact CD2-CB 3.88Å; Y203-W337 HydrophobicContact CE2-CB 3.62Å; W337-N339 VanDerWaalsContact C-N 3.34Å
338Q71.7Confident79Confident97 Ų9759.1 Ų59.145%0.45331%0.313SS..THydrogen-bonded Turntrans-94.518.6172-68.3175.6-51.900113.4F316 H336F316-Q338 HydrophobicContact CD2-CB 4.19Å; F316-Q338 HydrophobicContact CE2-CB 3.52Å; F316-Q338 HydrophobicContact CE2-CG 4.44Å; F316-Q338 HydrophobicContact CZ-CB 4.04Å; H336-Q338 VanDerWaalsContact C-N 3.33Å; H336-Q338 PolarHBondContact ND1-N 2.91Å; H336-Q338 VanDerWaalsContact ND1-N 3.12Å; H336-Q338 PolarHBondContact O-N 3.29Å
339N65.2Low79Confident71 Ų7157.7 Ų57.738%0.3830%0.304SS..SBendtrans76.8157.6-167.6-49.3-31.9000112.7K45 F316 H336 W337K45-N339 PolarHBondContact NZ-OD1 2.8Å; F316-N339 WeakPolarHBondContact CD2-O 3.1Å; H336-N339 PolarHBondContact O-N 3.49Å; W337-N339 VanDerWaalsContact C-N 3.34Å
340G73Confident79Confident10 Ų1056.9 Ų56.910%0.10330%0.302CS..SBendtrans87.8-166.5-17300000113Y314 H336Y314-G340 WeakPolarHBondContact O-CA 3.26Å; H336-G340 PolarHBondContact N-O 3.34Å
341V78.2Confident79Confident13 Ų1351.7 Ų51.78%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-133.5161.1-173.9-74.30000110.3Y314 I315 F316 I322 I333 T334 K335Y314-V341 VanDerWaalsContact O-CG2 3.29Å; Y314-V341 WeakPolarHBondContact O-CG2 3.42Å; Y314-V341 PolarHBondContact O-N 2.8Å; Y314-V341 VanDerWaalsContact O-N 3.11Å; I315-V341 CarbonylContact C-O 3.52Å; I315-V341 WeakPolarHBondContact CA-O 3.28Å; I315-V341 HydrophobicContact CG1-CG2 4.25Å; F316-V341 PolarHBondContact N-O 3.27Å; I322-V341 HydrophobicContact CB-CG2 4.1Å; I322-V341 HydrophobicContact CD1-CB 3.85Å; I322-V341 HydrophobicContact CD1-CG1 4.41Å; I322-V341 HydrophobicContact CD1-CG2 3.3Å; I322-V341 HydrophobicContact CG1-CG2 4.3Å; I322-V341 HydrophobicContact CG2-CG2 4.33Å; I333-V341 HydrophobicContact CG2-CB 4.02Å; I333-V341 HydrophobicContact CG2-CG1 3.97Å; T334-V341 CarbonylContact O-C 3.58Å; T334-V341 WeakPolarHBondContact O-CA 3.38Å; K335-V341 HydrophobicContact CG-CG1 4.48Å
342F81.1Confident79Confident59 Ų5953.9 Ų53.926%0.25929%0.293SS..EExtended strand (participates in β ladder)trans-144.8155.7169.469.9-85.1000109.7T334 H336 K344T334-F342 HydrophobicContact CG2-CD1 4.29Å; T334-F342 HydrophobicContact CG2-CE1 3.41Å; T334-F342 VanDerWaalsContact CG2-CE1 3.41Å; T334-F342 HydrophobicContact CG2-CE2 4.23Å; T334-F342 HydrophobicContact CG2-CZ 3.37Å; T334-F342 PolarHBondContact N-O 3.28Å; T334-F342 PolarHBondContact O-N 3.2Å; H336-F342 HydrophobicContact CB-CD1 4.07Å; F342-K344 HydrophobicContact CE2-CB 4.35Å
343C83.2Confident79Confident12 Ų1252.2 Ų52.28%0.08128%0.283CS..EExtended strand (participates in β ladder)trans-85.4118.5174.3-710000110.3C327 C345 P352 C354C327-C343 WeakPolarHBondContact CA-SG 3.46Å; C327-C343 HydrophobicContact CB-CB 3.77Å; C327-C343 WeakPolarHBondContact CB-SG 3.2Å; C327-C343 WeakPolarHBondContact SG-CA 3.42Å; C327-C343 WeakPolarHBondContact SG-CB 3.44Å; C327-C343 CovalentContact SG-SG 2.04Å; C327-C343 PolarHBondContact SG-SG 2.88Å; C343-C345 PolarHBondContact O-N 3.33Å; C343-P352 WeakPolarHBondContact CB-O 3.24Å; C343-C354 VanDerWaalsContact CB-SG 3.57Å
344K80.9Confident79.2Confident65 Ų6549.2 Ų49.228%0.28327%0.267SS..EExtended strand (participates in β ladder)trans-82.2110.9165.7-177.6-178.9175.5-1740107.9N38 G331 T332 F342N38-K344 PolarHBondContact OD1-NZ 3Å; G331-K344 CarbonylContact C-O 3.15Å; G331-K344 WeakPolarHBondContact CA-O 2.9Å; T332-K344 PolarHBondContact N-O 3.41Å; T332-K344 PolarHBondContact O-N 3.38Å; F342-K344 HydrophobicContact CE2-CB 4.35Å
345C83.5Confident79.4Confident34 Ų3453 Ų5323%0.2329%0.287CS..PPolyproline II helixtrans-83.5152.8-176.7-53.90000112.2C343 F349 C354C343-C345 PolarHBondContact O-N 3.33Å; C345-F349 HydrophobicContact CB-CB 3.98Å; C345-F349 WeakPolarHBondContact CB-O 3.23Å; C345-C354 WeakPolarHBondContact CA-SG 3.32Å; C345-C354 HydrophobicContact CB-CB 3.78Å; C345-C354 WeakPolarHBondContact CB-SG 3.41Å; C345-C354 WeakPolarHBondContact SG-CA 3.23Å; C345-C354 WeakPolarHBondContact SG-CB 3.41Å; C345-C354 CovalentContact SG-SG 2.04Å; C345-C354 PolarHBondContact SG-SG 3.37Å
346L81.6Confident79.8Confident82 Ų8254.3 Ų54.343%0.42930%0.299SS..PPolyproline II helixtrans-64.6153.9167.1-74.8177000110.2N330 L348 F349N330-L346 HydrophobicContact CB-CD1 3.9Å; L346-L348 PolarHBondContact O-N 3.4Å; L346-F349 HydrophobicContact CB-CD2 4.05Å; L346-F349 PolarHBondContact O-N 2.88Å
347P76.1Confident80.1Confident114 Ų11456.4 Ų56.474%0.7432%0.316SS*.THydrogen-bonded Turntrans-51130.6168.4-2132.1000108.4
348L82.1Confident80.1Confident96 Ų9655.5 Ų55.550%0.50332%0.318SS..THydrogen-bonded Turntrans91.9-6.4-171.8-49.7169.3000116.9L346 S357 N358L346-L348 PolarHBondContact O-N 3.4Å; L348-S357 CarbonylContact O-C 3.48Å; L348-N358 PolarHBondContact O-N 3.46Å
349F84.6Confident79.5Confident53 Ų5354.3 Ų54.323%0.23232%0.319CS..EExtended strand (participates in β ladder)trans-117.4143.5174-61.9-83.8000111.7N329 C345 L346 C354 T356N329-F349 HydrophobicContact CB-CD1 3.66Å; N329-F349 HydrophobicContact CB-CD2 3.96Å; N329-F349 HydrophobicContact CB-CE1 3.6Å; N329-F349 HydrophobicContact CB-CE2 3.9Å; N329-F349 HydrophobicContact CB-CG 3.83Å; N329-F349 HydrophobicContact CB-CZ 3.72Å; N329-F349 VanDerWaalsContact ND2-CD1 3.27Å; N329-F349 WeakPolarHBondContact ND2-CD1 3.33Å; N329-F349 VanDerWaalsContact ND2-CE1 3.28Å; N329-F349 WeakPolarHBondContact ND2-CE1 3.32Å; C345-F349 HydrophobicContact CB-CB 3.98Å; C345-F349 WeakPolarHBondContact CB-O 3.23Å; L346-F349 HydrophobicContact CB-CD2 4.05Å; L346-F349 PolarHBondContact O-N 2.88Å; F349-C354 HydrophobicContact CB-CB 4.18Å; F349-T356 CarbonylContact C-O 3.6Å; F349-T356 VanDerWaalsContact CA-O 3.27Å; F349-T356 WeakPolarHBondContact CA-O 3.01Å
350T84.5Confident78.7Confident55 Ų5562.4 Ų62.434%0.33735%0.345SS..EExtended strand (participates in β ladder)trans-139.2176.3177.462.90000110.8C354 D355 T356 N358T350-C354 CarbonylContact O-C 3.51Å; T350-C354 WeakPolarHBondContact O-CA 3.04Å; T350-D355 PolarHBondContact O-N 3.47Å; T350-T356 PolarHBondContact N-O 2.91Å; T350-T356 WeakPolarHBondContact O-CB 3.29Å; T350-T356 PolarHBondContact O-N 3.48Å; T350-N358 WeakPolarHBondContact CG2-ND2 3.2Å; T350-N358 PolarHBondContact OG1-OD1 3.13Å
351G81.3Confident77.4Confident33 Ų3369.3 Ų69.334%0.3438%0.379SS..SBendtrans100167.8-177.200000113.3V353 C354G351-V353 PolarHBondContact O-N 2.96Å; G351-C354 PolarHBondContact O-N 3.41Å
352P80.8Confident75.5Confident60 Ų6075.4 Ų75.439%0.3941%0.409SS..THydrogen-bonded Turntrans-64.9-25.6-174.626-33.6000113.1T318 I320 C343T318-P352 HydrophobicContact CG2-CB 4.15Å; I320-P352 HydrophobicContact CD1-CB 4.33Å; I320-P352 HydrophobicContact CD1-CG 4.19Å; C343-P352 WeakPolarHBondContact CB-O 3.24Å
353V84.6Confident73.1Confident18 Ų1879.8 Ų79.811%0.10944%0.435CS..THydrogen-bonded Turntrans-122.114.2178.8-64.20000113.3I315 I320 A325 L328 G351 D355I315-V353 HydrophobicContact CD1-CG1 3.68Å; I320-V353 HydrophobicContact CD1-CG1 4.36Å; I320-V353 HydrophobicContact CG2-CG1 4.38Å; A325-V353 HydrophobicContact CB-CG1 4.33Å; L328-V353 WeakPolarHBondContact CB-O 3.26Å; L328-V353 HydrophobicContact CD1-CG2 4.43Å; L328-V353 PolarHBondContact N-O 2.98Å; G351-V353 PolarHBondContact O-N 2.96Å; V353-D355 VanDerWaalsContact C-N 3.3Å; V353-D355 HydrophobicContact CG2-CB 3.93Å; V353-D355 PolarHBondContact O-N 2.84Å
354C85.1Confident70.5Confident0 Ų087.8 Ų87.80%047%0.468CS..SBendtrans61.730.6-175.9-48.80000114.8L328 N329 C343 C345 F349 T350 G351L328-C354 WeakPolarHBondContact O-CB 3.39Å; N329-C354 PolarHBondContact ND2-O 2.81Å; C343-C354 VanDerWaalsContact CB-SG 3.57Å; C345-C354 WeakPolarHBondContact CA-SG 3.32Å; C345-C354 HydrophobicContact CB-CB 3.78Å; C345-C354 WeakPolarHBondContact CB-SG 3.41Å; C345-C354 WeakPolarHBondContact SG-CA 3.23Å; C345-C354 WeakPolarHBondContact SG-CB 3.41Å; C345-C354 CovalentContact SG-SG 2.04Å; C345-C354 PolarHBondContact SG-SG 3.37Å; F349-C354 HydrophobicContact CB-CB 4.18Å; T350-C354 CarbonylContact O-C 3.51Å; T350-C354 WeakPolarHBondContact O-CA 3.04Å; G351-C354 PolarHBondContact O-N 3.41Å
355D84.9Confident68.4Low85 Ų8589.6 Ų89.646%0.45549%0.487SS..  trans-77.9-26.4178.855.5-17.2000113.7L328 T350 V353L328-D355 HydrophobicContact CD1-CB 4.01Å; T350-D355 PolarHBondContact O-N 3.47Å; V353-D355 VanDerWaalsContact C-N 3.3Å; V353-D355 HydrophobicContact CG2-CB 3.93Å; V353-D355 PolarHBondContact O-N 2.84Å
356T85.3Confident65.8Low66 Ų6696.6 Ų96.641%0.40551%0.513SS..EExtended strand (participates in β ladder)trans-88.2116.5-174.8-54.30000109.9F349 T350F349-T356 CarbonylContact C-O 3.6Å; F349-T356 VanDerWaalsContact CA-O 3.27Å; F349-T356 WeakPolarHBondContact CA-O 3.01Å; T350-T356 PolarHBondContact N-O 2.91Å; T350-T356 WeakPolarHBondContact O-CB 3.29Å; T350-T356 PolarHBondContact O-N 3.48Å
357S83.3Confident63.2Low67 Ų6799.6 Ų99.647%0.46953%0.529SS..EExtended strand (participates in β ladder)trans-84.4126.8170.466.60000110.7L348 C359L348-S357 CarbonylContact O-C 3.48Å; S357-C359 PolarHBondContact O-N 3.5Å
358N70.8Confident61Low76 Ų7699.8 Ų99.841%0.40653%0.528SS..  trans-83.620.7172.3-77.33.8000112.3L348 T350 R360 L361L348-N358 PolarHBondContact O-N 3.46Å; T350-N358 WeakPolarHBondContact CG2-ND2 3.2Å; T350-N358 PolarHBondContact OG1-OD1 3.13Å; N358-R360 PolarHBondContact O-N 3.24Å; N358-L361 PolarHBondContact O-N 3.49Å
359C58.6Low58.5Low71 Ų71102 Ų10248%0.4855%0.547SS..G310 helixtrans-62.9-2.7179.5-83.40000114.7S357 L361 I362S357-C359 PolarHBondContact O-N 3.5Å; C359-L361 PolarHBondContact O-N 2.99Å; C359-I362 PolarHBondContact O-N 2.96Å
360R49.1Very low56.2Low241 Ų241109.4 Ų109.491%0.90958%0.578SS**G310 helixtrans-68.7-7.1174-76-165.5177.5-154.10.5114.7N358N358-R360 PolarHBondContact O-N 3.24Å
361L45.7Very low53.6Low156 Ų156113.6 Ų113.682%0.81760%0.599SS**G310 helixtrans-91.61.1174.9-85.8166.5000115.5N358 C359N358-L361 PolarHBondContact O-N 3.49Å; C359-L361 PolarHBondContact O-N 2.99Å
362I39.2Very low51.1Low141 Ų141120.8 Ų120.872%0.72362%0.624SS**SBendtrans-136.658172.6-41.2176.4000110.5C359C359-I362 PolarHBondContact O-N 2.96Å
363L29.5Very low48.7Very low151 Ų151126.8 Ų126.879%0.79165%0.651SS**  trans-136.165.2157.5-80.1171.9000107.7P365L363-P365 WeakPolarHBondContact O-CD 3.41Å
364F29.3Very low45.9Very low180 Ų180133.3 Ų133.379%0.78969%0.685SS**  trans-84.6111.3148.9-88.4-80.5000106.6F366F364-F366 HydrophobicContact CD1-CD2 4.35Å; F364-F366 HydrophobicContact CD1-CE2 4.27Å; F364-F366 PolarHBondContact O-N 3.32Å
365P35.8Very low43.1Very low103 Ų103137.1 Ų137.167%0.66972%0.716SS**  trans-84.491.5171.333.6-26.6000107.8L363L363-P365 WeakPolarHBondContact O-CD 3.41Å
366F29.6Very low40.3Very low180 Ų180141.2 Ų141.279%0.78974%0.737SS**  trans-130.486159.6-76.5-80.2000105.7F364F364-F366 HydrophobicContact CD1-CD2 4.35Å; F364-F366 HydrophobicContact CD1-CE2 4.27Å; F364-F366 PolarHBondContact O-N 3.32Å
367L27.3Very low37.6Very low145 Ų145143.6 Ų143.676%0.75975%0.751SS**  39.9100.391.6-80163.7000112.6
368T29.9Very low34.9Very low118 Ų118147.1 Ų147.172%0.72477%0.769SS**  trans5692.4138.462.70000117.8
369T29Very low33Very low144 Ų144148 Ų14888%0.88378%0.782SS**  -161.6145.8119.237.90000108.4D371T369-D371 VanDerWaalsContact C-N 3.27Å; T369-D371 PolarHBondContact O-N 3.26Å; T369-D371 VanDerWaalsContact O-N 3.14Å
370K36.5Very low31.6Very low207 Ų207152.3 Ų152.390%0.979%0.792SS**SBendtrans-81.913.7-156.1-136.4178.6-176-178.40115.6
371D30.9Very low30.7Very low144 Ų144149 Ų14977%0.7779%0.787SS**  trans-134.993.3-174.6-67.1-50000110T369T369-D371 VanDerWaalsContact C-N 3.27Å; T369-D371 PolarHBondContact O-N 3.26Å; T369-D371 VanDerWaalsContact O-N 3.14Å
372E28.7Very low29.9Very low184 Ų184150.9 Ų150.986%0.8679%0.789SS**  trans170.387.1144.9-95.7177.6-176.300109.9L374E372-L374 PolarHBondContact O-N 2.66Å; E372-L374 VanDerWaalsContact O-N 3.15Å
373L28.9Very low29.4Very low186 Ų186151.3 Ų151.397%0.97479%0.792SS**  trans-86.442.1175-130.1146.7000111.3
374L27.4Very low29.5Very low154 Ų154150.8 Ų150.881%0.80679%0.785SS**  trans-117.254.7-175.1-114.1153.6000110.7E372E372-L374 PolarHBondContact O-N 2.66Å; E372-L374 VanDerWaalsContact O-N 3.15Å
375A26.2Very low29.5Very low80 Ų80151.7 Ų151.766%0.66179%0.789SS**  trans-152.655.1179.100000114.5
376I26.4Very low29.1Very low172 Ų172152.3 Ų152.388%0.88279%0.791SS**SBendtrans-138.562.4147.3-47.7178.1000108.8
377T26.7Very low28.9Very low115 Ų115151.4 Ų151.471%0.70679%0.793SS**  trans-131.331.5164-17.30000110.7S379T377-S379 PolarHBondContact O-N 3.22Å
378V27.6Very low28.8Very low141 Ų141154.1 Ų154.186%0.85580%0.795SS**THydrogen-bonded Turntrans-94.479.5175-173.20000109.1
379S29.8Very low28.7Very low96 Ų96154.8 Ų154.867%0.67180%0.799SS**THydrogen-bonded Turntrans-164.7-2151.269.90000114.8T377T377-S379 PolarHBondContact O-N 3.22Å
380K29.1Very low28.5Very low161 Ų161155.1 Ų155.170%0.780%0.801SS**SBendtrans-90.1-27.1176-92.5-176.6174.6178.70115.2
381E32Very low27.9Very low171 Ų171148.7 Ų148.780%0.79979%0.793SS**G310 helixtrans-81.4-20.8-177.7-83-172.1151.900114.6L383 H384E381-L383 PolarHBondContact O-N 3.49Å; E381-H384 PolarHBondContact O-N 3.22Å; E381-H384 VanDerWaalsContact O-N 3.17Å
382F28.4Very low27.5Very low195 Ų195150.4 Ų150.486%0.85580%0.798SS**G310 helixtrans-70.1-18.4178.3-145.9-93.8000113
383L28.8Very low27.3Very low150 Ų150153.3 Ų153.379%0.78580%0.801SS**G310 helixtrans-86.3-5.8174.9-84.1162.3000114.1E381E381-L383 PolarHBondContact O-N 3.49Å
384H31.5Very low27.1Very low141 Ų141153.5 Ų153.565%0.65379%0.794SS**SBendtrans-93.6-6.6-175.4-120.3-68.7000115.3E381E381-H384 PolarHBondContact O-N 3.22Å; E381-H384 VanDerWaalsContact O-N 3.17Å
385K28.6Very low27.3Very low199 Ų199152 Ų15287%0.86580%0.797SS**SBendtrans-98.93.3-176.3-88.3-173.1176.7178.50116.7
386T28.4Very low27.2Very low115 Ų115152.4 Ų152.471%0.70679%0.794SS**SBendtrans-107.810.4-176.6-27.40000115.6
387L25.7Very low27.1Very low161 Ų161152.6 Ų152.684%0.84380%0.797SS**SBendtrans-130.221.1-178.7-79.4169.6000116.3
388Y24.8Very low27.4Very low203 Ų203154.3 Ų154.380%0.79684%0.837SS**  trans-108.163.6168.7-81.3-79.8000112.2
389T27.1Very low27.4Very low131 Ų131155 Ų15580%0.80484%0.836SS**  trans-145.863.3160.140.60000110.3
390V24.5Very low27.2Very low152 Ų152158.1 Ų158.192%0.92184%0.844SS**SBendtrans-146.1114.5154.2-173.90000109.4
391G24.6Very low27.1Very low71 Ų71157.9 Ų157.973%0.73285%0.852SS**  trans97.568.4141.600000117.8R393G391-R393 PolarHBondContact O-N 2.83Å
392M21.9Very low26.8Very low181 Ų181157.1 Ų157.189%0.89286%0.856SS**  trans-55.8126.2142.9-63.4-171.6-160.800109.2
393R24.8Very low26.7Very low245 Ų245154.8 Ų154.893%0.92586%0.856SS**  trans-134.399.1141.2-94.6-171.8-177.4-178.90.8108G391 S395G391-R393 PolarHBondContact O-N 2.83Å; R393-S395 PolarHBondContact O-N 2.96Å
394K25.7Very low26.6Very low190 Ų190155.1 Ų155.183%0.82686%0.86SS**  trans-62.1117.1156.5-76.1177.2172.6179.20107.2
395S30Very low26.2Very low122 Ų122156.1 Ų156.185%0.85388%0.875SS**  trans-9298.2152.848.10000106.7R393R393-S395 PolarHBondContact O-N 2.96Å
396S24.7Very low26.1Very low88 Ų88152.8 Ų152.862%0.61588%0.876SS**  trans-92.3141.8167.853.60000109.9
397L25.4Very low25.9Very low177 Ų177155.9 Ų155.993%0.92789%0.89SS**  trans78.1123.9149.1-69.6151.4000118.3
398G31.3Very low25.9Very low150 Ų150155.5 Ų155.5100%1.54689%0.894SS**  trans155.80176.700000108.2

Retrieved 398 of 398 residues in 840.2 ms (Link to these results)

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