A0A096MIA0_POEFO Loading...

E3 ubiquitin-protein ligase UHRF

Multi domain E3 ubiquitin ligase that also plays a role in DNA methylation and histone modifications.

AlphaFold DB , UniProt , Accession A0A096MIA0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 786 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
1M80.5Confident84.7Confident57 Ų5760.1 Ų60.128%0.28130%0.296SS..  0172.7057.6179.8-84.200109.6I3 L19 K21 I58 V63 G64 L65M1-I3 HydrophobicContact CE-CG2 3.88Å; M1-L19 HydrophobicContact CG-CB 4.11Å; M1-L19 VanDerWaalsContact CG-O 3.26Å; M1-L19 WeakPolarHBondContact CG-O 3.41Å; M1-L19 PolarHBondContact N-O 2.89Å; M1-L19 PolarHBondContact O-N 2.83Å; M1-K21 HydrophobicContact SD-CG 3.87Å; M1-I58 HydrophobicContact CE-CD1 3.82Å; M1-I58 HydrophobicContact SD-CD1 4.14Å; M1-V63 HydrophobicContact CE-CG1 4.5Å; M1-G64 WeakPolarHBondContact CE-O 3.32Å; M1-L65 HydrophobicContact CB-CD1 4.1Å
2W81.8Confident84.7Confident59 Ų5963.1 Ų63.122%0.22331%0.309CS..  trans-142.8153.7176.564.5-92.6000109.5Q4 R15 V16 D17 N66W2-Q4 HydrophobicContact CZ3-CG 4.02Å; W2-R15 HydrophobicContact CD2-CG 4.31Å; W2-R15 HydrophobicContact CE3-CG 3.66Å; W2-R15 HydrophobicContact CZ3-CG 4.15Å; W2-V16 VanDerWaalsContact CA-O 3.23Å; W2-V16 WeakPolarHBondContact CA-O 3.17Å; W2-V16 WeakPolarHBondContact CB-O 3.29Å; W2-D17 VanDerWaalsContact CB-OD1 3.25Å; W2-D17 WeakPolarHBondContact CB-OD1 3.47Å; W2-N66 HydrophobicContact CE3-CB 4.41Å; W2-N66 HydrophobicContact CH2-CB 3.63Å; W2-N66 WeakPolarHBondContact CH2-OD1 3.49Å; W2-N66 HydrophobicContact CZ2-CB 3.88Å; W2-N66 HydrophobicContact CZ3-CB 3.89Å; W2-N66 WeakPolarHBondContact CZ3-OD1 3.11Å; W2-N66 PolarHBondContact O-N 3.27Å
3I91.8Very high85.2Confident0 Ų062.4 Ų62.40%031%0.31CS..EExtended strand (participates in β ladder)trans-131.3166.5179.171.3-179.3000109.5M1 V5 R15 V16 L19 L28 V63 D67 V69M1-I3 HydrophobicContact CE-CG2 3.88Å; I3-V5 HydrophobicContact CD1-CG2 4.15Å; I3-V5 HydrophobicContact CG1-CG2 4.33Å; I3-R15 WeakPolarHBondContact O-CA 3.33Å; I3-V16 HydrophobicContact CG1-CB 4.04Å; I3-V16 HydrophobicContact CG1-CG2 4.43Å; I3-V16 PolarHBondContact N-O 2.74Å; I3-V16 PolarHBondContact O-N 2.72Å; I3-L19 HydrophobicContact CB-CD1 4.28Å; I3-L19 HydrophobicContact CD1-CD1 3.76Å; I3-L19 HydrophobicContact CG1-CD1 3.6Å; I3-L19 HydrophobicContact CG2-CD1 3.96Å; I3-L28 HydrophobicContact CD1-CD1 3.94Å; I3-L28 HydrophobicContact CD1-CD2 4.05Å; I3-V63 HydrophobicContact CG2-CG1 3.73Å; I3-D67 WeakPolarHBondContact CB-O 3.04Å; I3-V69 HydrophobicContact CD1-CB 4.35Å; I3-V69 HydrophobicContact CD1-CG2 3.85Å
4Q90.1Very high85.6Confident46 Ų4663.5 Ų63.522%0.21531%0.314CS..EExtended strand (participates in β ladder)trans-97140.8162.9-55.3-171.313.900108.8W2 T13 N66 D67 I68 V69W2-Q4 HydrophobicContact CZ3-CG 4.02Å; Q4-T13 HydrophobicContact CB-CG2 4.22Å; Q4-N66 PolarHBondContact NE2-OD1 2.87Å; Q4-D67 PolarHBondContact N-O 2.8Å; Q4-I68 HydrophobicContact CB-CG1 4.18Å; Q4-I68 WeakPolarHBondContact O-CA 3.44Å; Q4-V69 PolarHBondContact O-N 2.81Å
5V94.4Very high86Confident0 Ų067.6 Ų67.60%032%0.324CS..EExtended strand (participates in β ladder)trans-113.4133.5165174.90000107.2I3 T13 H14 V16 I32 F36 V69 L71I3-V5 HydrophobicContact CD1-CG2 4.15Å; I3-V5 HydrophobicContact CG1-CG2 4.33Å; V5-T13 CarbonylContact O-C 3.59Å; V5-T13 VanDerWaalsContact O-CA 3.26Å; V5-T13 WeakPolarHBondContact O-CA 3.42Å; V5-H14 PolarHBondContact N-O 2.72Å; V5-H14 PolarHBondContact O-N 3.23Å; V5-V16 HydrophobicContact CB-CG2 4.21Å; V5-V16 HydrophobicContact CG2-CG2 3.54Å; V5-I32 HydrophobicContact CB-CD1 4.46Å; V5-I32 HydrophobicContact CG1-CD1 4Å; V5-I32 HydrophobicContact CG1-CG1 4.26Å; V5-I32 HydrophobicContact CG1-CG2 4.45Å; V5-I32 HydrophobicContact CG2-CD1 3.69Å; V5-I32 HydrophobicContact CG2-CG1 3.95Å; V5-F36 HydrophobicContact CB-CE2 3.81Å; V5-F36 HydrophobicContact CB-CZ 4.04Å; V5-F36 HydrophobicContact CG1-CD2 4.4Å; V5-F36 HydrophobicContact CG1-CE2 3.53Å; V5-F36 HydrophobicContact CG1-CZ 3.73Å; V5-F36 WeakPolarHBondContact O-CZ 3.46Å; V5-V69 CarbonylContact C-O 3.56Å; V5-V69 VanDerWaalsContact CA-O 3.27Å; V5-V69 WeakPolarHBondContact CA-O 3.4Å; V5-V69 HydrophobicContact CG2-CB 4.32Å; V5-L71 HydrophobicContact CG1-CB 3.85Å; V5-L71 HydrophobicContact CG1-CD2 4.45Å
6R92.1Very high86.2Confident98 Ų9863.6 Ų63.637%0.3731%0.305SS..EExtended strand (participates in β ladder)trans-131.3137.2-176.8169.7174.1-68177.11.9110.3E12 T13 I68 V69 Q70 L71R6-E12 CarbonylContact C-O 3.58Å; R6-E12 VanDerWaalsContact CA-O 3.31Å; R6-E12 WeakPolarHBondContact CA-O 3.34Å; R6-T13 HydrophobicContact CB-CG2 4.26Å; R6-T13 WeakPolarHBondContact CB-OG1 3.31Å; R6-T13 WeakPolarHBondContact CG-OG1 3.39Å; R6-T13 PolarHBondContact NE-OG1 2.9Å; R6-I68 HydrophobicContact CB-CG2 3.78Å; R6-V69 PolarHBondContact N-O 2.68Å; R6-Q70 CarbonylContact O-C 3.58Å; R6-Q70 WeakPolarHBondContact O-CA 3.47Å; R6-L71 PolarHBondContact O-N 3.31Å
7T89.1Confident86.1Confident13 Ų1363.5 Ų63.58%0.0831%0.307CS..EExtended strand (participates in β ladder)trans-64.5147.3174.353.30000111.4D9 G10 K11 E12 F36 L71T7-D9 WeakPolarHBondContact CB-OD1 3.37Å; T7-D9 PolarHBondContact O-N 3.15Å; T7-D9 VanDerWaalsContact O-N 3.09Å; T7-D9 PolarHBondContact OG1-OD1 3.48Å; T7-G10 WeakPolarHBondContact O-CA 3.38Å; T7-G10 PolarHBondContact O-N 2.75Å; T7-K11 PolarHBondContact OG1-N 2.99Å; T7-E12 HydrophobicContact CG2-CB 3.9Å; T7-E12 PolarHBondContact N-O 3.16Å; T7-E12 PolarHBondContact OG1-N 3.45Å; T7-E12 VanDerWaalsContact OG1-N 3.1Å; T7-F36 HydrophobicContact CG2-CD1 4.13Å; T7-F36 HydrophobicContact CG2-CE1 3.97Å; T7-L71 CarbonylContact C-O 3.58Å; T7-L71 WeakPolarHBondContact CA-O 3.43Å
8M81.9Confident85.7Confident87 Ų8767.9 Ų67.943%0.42933%0.333SS..THydrogen-bonded Turntrans-60.2-20.1-179.7-81.7-66.3-69.900114.4G10 Q70 L71 L72M8-G10 VanDerWaalsContact C-N 3.35Å; M8-Q70 HydrophobicContact CG-CB 4.4Å; M8-Q70 HydrophobicContact SD-CB 3.57Å; M8-Q70 VanDerWaalsContact SD-CB 3.57Å; M8-Q70 HydrophobicContact SD-CG 4.21Å; M8-L71 PolarHBondContact N-O 2.84Å; M8-L72 HydrophobicContact CB-CD1 4.07Å; M8-L72 HydrophobicContact CG-CB 3.76Å; M8-L72 HydrophobicContact CG-CD1 4.04Å; M8-L72 HydrophobicContact CG-CG 4.5Å
9D77.5Confident85.5Confident92 Ų9264.7 Ų64.749%0.49232%0.317SS..THydrogen-bonded Turntrans-90.33.2173.671.3-12.9000113.7T7 K11T7-D9 WeakPolarHBondContact CB-OD1 3.37Å; T7-D9 PolarHBondContact O-N 3.15Å; T7-D9 VanDerWaalsContact O-N 3.09Å; T7-D9 PolarHBondContact OG1-OD1 3.48Å; D9-K11 PolarHBondContact O-N 2.69Å; D9-K11 PolarHBondContact OD1-N 2.9Å; D9-K11 WeakPolarHBondContact OD2-CD 3.45Å; D9-K11 WeakPolarHBondContact OD2-CE 3.29Å; D9-K11 WeakPolarHBondContact OD2-CG 3.46Å; D9-K11 IonicContact OD2-NZ 3.43Å; D9-K11 PolarHBondContact OD2-NZ 2.74Å
10G75.3Confident85.4Confident43 Ų4364.5 Ų64.544%0.44332%0.322SS..SBendtrans74.6-4.517600000116.2T7 M8T7-G10 WeakPolarHBondContact O-CA 3.38Å; T7-G10 PolarHBondContact O-N 2.75Å; M8-G10 VanDerWaalsContact C-N 3.35Å
11K76.8Confident84.9Confident166 Ų16667 Ų6772%0.72233%0.331SS*.SBendtrans-72.3-37.6-170.1-62.8-168.8-167.5108.10114.1T7 D9T7-K11 PolarHBondContact OG1-N 2.99Å; D9-K11 PolarHBondContact O-N 2.69Å; D9-K11 PolarHBondContact OD1-N 2.9Å; D9-K11 WeakPolarHBondContact OD2-CD 3.45Å; D9-K11 WeakPolarHBondContact OD2-CE 3.29Å; D9-K11 WeakPolarHBondContact OD2-CG 3.46Å; D9-K11 IonicContact OD2-NZ 3.43Å; D9-K11 PolarHBondContact OD2-NZ 2.74Å
12E85.3Confident84.8Confident96 Ų9670.3 Ų70.345%0.44935%0.349SS..  trans-116.3141.6-177.9-65.8176.8174.700110.4R6 T7 F36R6-E12 CarbonylContact C-O 3.58Å; R6-E12 VanDerWaalsContact CA-O 3.31Å; R6-E12 WeakPolarHBondContact CA-O 3.34Å; T7-E12 HydrophobicContact CG2-CB 3.9Å; T7-E12 PolarHBondContact N-O 3.16Å; T7-E12 PolarHBondContact OG1-N 3.45Å; T7-E12 VanDerWaalsContact OG1-N 3.1Å; E12-F36 HydrophobicContact CB-CD1 4.44Å; E12-F36 HydrophobicContact CB-CE1 3.94Å
13T91.1Very high85.1Confident54 Ų5468.1 Ų68.133%0.33134%0.342SS..EExtended strand (participates in β ladder)trans-146.2119173-61.50000109.3Q4 V5 R6Q4-T13 HydrophobicContact CB-CG2 4.22Å; V5-T13 CarbonylContact O-C 3.59Å; V5-T13 VanDerWaalsContact O-CA 3.26Å; V5-T13 WeakPolarHBondContact O-CA 3.42Å; R6-T13 HydrophobicContact CB-CG2 4.26Å; R6-T13 WeakPolarHBondContact CB-OG1 3.31Å; R6-T13 WeakPolarHBondContact CG-OG1 3.39Å; R6-T13 PolarHBondContact NE-OG1 2.9Å
14H91.3Very high85.2Confident78 Ų7872.2 Ų72.236%0.36136%0.36SS..EExtended strand (participates in β ladder)trans-119.7147.1176.9-71.6-82.5000110.5V5 L35 F36V5-H14 PolarHBondContact N-O 2.72Å; V5-H14 PolarHBondContact O-N 3.23Å; H14-L35 HydrophobicContact CB-CB 4.39Å; H14-L35 HydrophobicContact CB-CD1 4.39Å; H14-F36 HydrophobicContact CB-CE2 3.81Å; H14-F36 HydrophobicContact CB-CZ 3.81Å; H14-F36 AromaticContact CD2-CE1 3.68Å; H14-F36 AromaticContact CD2-CZ 3.67Å
15R91Very high85.2Confident125 Ų12570 Ų7047%0.47235%0.35SS..EExtended strand (participates in β ladder)trans-86.4132.3173.9170.4171.2159.6173.2-5.5109.7W2 I3 D17W2-R15 HydrophobicContact CD2-CG 4.31Å; W2-R15 HydrophobicContact CE3-CG 3.66Å; W2-R15 HydrophobicContact CZ3-CG 4.15Å; I3-R15 WeakPolarHBondContact O-CA 3.33Å; R15-D17 WeakPolarHBondContact CG-OD2 3.33Å; R15-D17 IonicContact CZ-OD1 3.12Å; R15-D17 IonicContact CZ-OD2 2.74Å; R15-D17 VanDerWaalsContact NE-CG 3.28Å; R15-D17 IonicContact NE-OD1 3.67Å; R15-D17 PolarHBondContact NE-OD1 3.19Å; R15-D17 VanDerWaalsContact NE-OD1 3.12Å; R15-D17 IonicContact NE-OD2 2.72Å; R15-D17 PolarHBondContact NE-OD2 3.06Å; R15-D17 IonicContact NH2-OD1 3.71Å; R15-D17 PolarHBondContact NH2-OD1 3.06Å; R15-D17 IonicContact NH2-OD2 3.35Å; R15-D17 PolarHBondContact NH2-OD2 2.88Å
16V89.4Confident85.1Confident3 Ų372.6 Ų72.62%0.01836%0.364CS..EExtended strand (participates in β ladder)trans-106.8115.9174.3-170.50000109W2 I3 V5 L19 L28 K31 I32 L35W2-V16 VanDerWaalsContact CA-O 3.23Å; W2-V16 WeakPolarHBondContact CA-O 3.17Å; W2-V16 WeakPolarHBondContact CB-O 3.29Å; I3-V16 HydrophobicContact CG1-CB 4.04Å; I3-V16 HydrophobicContact CG1-CG2 4.43Å; I3-V16 PolarHBondContact N-O 2.74Å; I3-V16 PolarHBondContact O-N 2.72Å; V5-V16 HydrophobicContact CB-CG2 4.21Å; V5-V16 HydrophobicContact CG2-CG2 3.54Å; V16-L19 HydrophobicContact CB-CD1 4.16Å; V16-L19 HydrophobicContact CG1-CD1 3.99Å; V16-L19 HydrophobicContact CG1-CD2 4.06Å; V16-L19 HydrophobicContact CG1-CG 4.16Å; V16-L28 HydrophobicContact CG1-CD1 4.02Å; V16-K31 HydrophobicContact CG1-CB 3.86Å; V16-K31 HydrophobicContact CG1-CD 3.89Å; V16-I32 HydrophobicContact CG2-CG1 4.35Å; V16-L35 HydrophobicContact CG2-CD1 3.83Å
17D84.3Confident85.1Confident62 Ų6272.4 Ų72.433%0.33237%0.367SS..  trans-99.9171.9-175.8-89.6-63.8000113.8W2 R15 L19 K31W2-D17 VanDerWaalsContact CB-OD1 3.25Å; W2-D17 WeakPolarHBondContact CB-OD1 3.47Å; R15-D17 WeakPolarHBondContact CG-OD2 3.33Å; R15-D17 IonicContact CZ-OD1 3.12Å; R15-D17 IonicContact CZ-OD2 2.74Å; R15-D17 VanDerWaalsContact NE-CG 3.28Å; R15-D17 IonicContact NE-OD1 3.67Å; R15-D17 PolarHBondContact NE-OD1 3.19Å; R15-D17 VanDerWaalsContact NE-OD1 3.12Å; R15-D17 IonicContact NE-OD2 2.72Å; R15-D17 PolarHBondContact NE-OD2 3.06Å; R15-D17 IonicContact NH2-OD1 3.71Å; R15-D17 PolarHBondContact NH2-OD1 3.06Å; R15-D17 IonicContact NH2-OD2 3.35Å; R15-D17 PolarHBondContact NH2-OD2 2.88Å; D17-L19 VanDerWaalsContact C-N 3.26Å; D17-L19 PolarHBondContact O-N 2.83Å; D17-K31 PolarHBondContact O-NZ 2.92Å
18N79.7Confident85.3Confident144 Ų14471.8 Ų71.877%0.7736%0.363SS*.SBendtrans54.139.9174.9-60.3-24.6000113.4K31N18-K31 PolarHBondContact O-NZ 2.89Å
19L81.9Confident85.9Confident6 Ų668.7 Ų68.73%0.03135%0.347CS..  trans-89.3143.9173.7-62.7169.8000110.5M1 I3 V16 D17 T23 L28 K31 I58M1-L19 HydrophobicContact CG-CB 4.11Å; M1-L19 VanDerWaalsContact CG-O 3.26Å; M1-L19 WeakPolarHBondContact CG-O 3.41Å; M1-L19 PolarHBondContact N-O 2.89Å; M1-L19 PolarHBondContact O-N 2.83Å; I3-L19 HydrophobicContact CB-CD1 4.28Å; I3-L19 HydrophobicContact CD1-CD1 3.76Å; I3-L19 HydrophobicContact CG1-CD1 3.6Å; I3-L19 HydrophobicContact CG2-CD1 3.96Å; V16-L19 HydrophobicContact CB-CD1 4.16Å; V16-L19 HydrophobicContact CG1-CD1 3.99Å; V16-L19 HydrophobicContact CG1-CD2 4.06Å; V16-L19 HydrophobicContact CG1-CG 4.16Å; D17-L19 VanDerWaalsContact C-N 3.26Å; D17-L19 PolarHBondContact O-N 2.83Å; L19-T23 HydrophobicContact CD2-CG2 3.75Å; L19-L28 HydrophobicContact CD1-CD1 4.26Å; L19-L28 HydrophobicContact CD2-CD1 3.99Å; L19-K31 HydrophobicContact CD2-CD 3.85Å; L19-I58 HydrophobicContact CB-CD1 4.22Å; L19-I58 HydrophobicContact CD1-CD1 4.45Å
20S83.6Confident86.7Confident61 Ų6168.9 Ų68.943%0.42735%0.347SS..  trans-95.5159.6165.1-175.40000109.8L22 T23 I58S20-L22 PolarHBondContact O-N 3.5Å; S20-L22 PolarHBondContact OG-N 3.2Å; S20-T23 PolarHBondContact N-OG1 2.99Å; S20-T23 VanDerWaalsContact O-CB 3.3Å; S20-T23 WeakPolarHBondContact O-CB 3.49Å; S20-T23 PolarHBondContact O-N 2.84Å; S20-T23 VanDerWaalsContact O-N 3.09Å; S20-T23 PolarHBondContact O-OG1 2.9Å; S20-I58 VanDerWaalsContact O-CD1 3.26Å; S20-I58 WeakPolarHBondContact O-CD1 3.31Å; S20-I58 WeakPolarHBondContact O-CG1 3.44Å
21K73.4Confident87.5Confident117 Ų11769.5 Ų69.551%0.50934%0.338SS..THydrogen-bonded Turntrans-58.4-33.1165.5-87.8-167165.5-1590111.7M1 T23 T57 F59M1-K21 HydrophobicContact SD-CG 3.87Å; K21-T23 VanDerWaalsContact C-N 3.31Å; K21-T57 PolarHBondContact O-OG1 2.92Å; K21-F59 HydrophobicContact CB-CB 4.07Å; K21-F59 HydrophobicContact CD-CD2 3.8Å; K21-F59 HydrophobicContact CD-CE2 4.33Å; K21-F59 HydrophobicContact CD-CG 4.35Å; K21-F59 HydrophobicContact CG-CB 4.47Å; K21-F59 HydrophobicContact CG-CD2 4.44Å; K21-F59 WeakPolarHBondContact O-CB 3.31Å; K21-F59 PolarHBondContact O-N 3.04Å
22L80Confident88.3Confident127 Ų12761.6 Ų61.667%0.66530%0.303SS*.THydrogen-bonded Turntrans-85.73.7177.6-58178.3000113.6S20 K24S20-L22 PolarHBondContact O-N 3.5Å; S20-L22 PolarHBondContact OG-N 3.2Å; L22-K24 PolarHBondContact O-N 3.09Å
23T88Confident88.6Confident12 Ų1259.7 Ų59.77%0.07430%0.295CS..  trans-63.9132.7174.4-75.80000109.3L19 S20 K21 E27 T57 I58L19-T23 HydrophobicContact CD2-CG2 3.75Å; S20-T23 PolarHBondContact N-OG1 2.99Å; S20-T23 VanDerWaalsContact O-CB 3.3Å; S20-T23 WeakPolarHBondContact O-CB 3.49Å; S20-T23 PolarHBondContact O-N 2.84Å; S20-T23 VanDerWaalsContact O-N 3.09Å; S20-T23 PolarHBondContact O-OG1 2.9Å; K21-T23 VanDerWaalsContact C-N 3.31Å; T23-E27 VanDerWaalsContact CA-OE2 3.24Å; T23-E27 WeakPolarHBondContact CA-OE2 3.47Å; T23-E27 HydrophobicContact CG2-CB 3.93Å; T23-E27 WeakPolarHBondContact CG2-OE2 3.48Å; T23-T57 WeakPolarHBondContact O-CA 3.23Å; T23-I58 PolarHBondContact O-N 2.69Å
24K92.2Very high88.5Confident86 Ų8663.2 Ų63.237%0.37431%0.308SS..BIsolated β-bridgetrans-79.8161.9-178.8-67.2-169.7171.8-166.90113L22 D26 E27 L28 H56L22-K24 PolarHBondContact O-N 3.09Å; K24-D26 VanDerWaalsContact C-N 3.33Å; K24-D26 WeakPolarHBondContact CB-OD1 3Å; K24-D26 WeakPolarHBondContact CB-OD2 3.43Å; K24-E27 HydrophobicContact CB-CB 4.41Å; K24-E27 HydrophobicContact CB-CG 4.15Å; K24-E27 PolarHBondContact N-OE2 2.93Å; K24-E27 VanDerWaalsContact N-OE2 3.07Å; K24-E27 PolarHBondContact O-N 3.15Å; K24-L28 WeakPolarHBondContact O-CB 3.34Å; K24-L28 PolarHBondContact O-N 2.81Å; K24-H56 CarbonylContact C-O 3.39Å; K24-H56 VanDerWaalsContact CA-O 3.25Å; K24-H56 WeakPolarHBondContact CA-O 3.19Å
25V91.8Very high88.4Confident0 Ų062.7 Ų62.70%031%0.307CS..Hα-helixtrans-64.7-38.9174.9-1770000111.1L28 R29 L45 M52 E53 D54 H56 Y61V25-L28 WeakPolarHBondContact O-CB 3.24Å; V25-L28 PolarHBondContact O-N 2.73Å; V25-R29 WeakPolarHBondContact O-CG 3.16Å; V25-R29 PolarHBondContact O-N 2.77Å; V25-L45 HydrophobicContact CG1-CD1 4.2Å; V25-M52 HydrophobicContact CG1-CB 3.87Å; V25-M52 HydrophobicContact CG2-CB 4.04Å; V25-M52 HydrophobicContact CG2-CE 4.11Å; V25-E53 VanDerWaalsContact CB-O 3.31Å; V25-E53 WeakPolarHBondContact CB-O 3.49Å; V25-E53 VanDerWaalsContact CG2-O 3.22Å; V25-E53 WeakPolarHBondContact CG2-O 3.3Å; V25-D54 WeakPolarHBondContact CG1-OD1 3.41Å; V25-H56 PolarHBondContact N-O 2.81Å; V25-Y61 HydrophobicContact CG2-CD2 4.34Å; V25-Y61 HydrophobicContact CG2-CE2 3.82Å
26D91.5Very high88.3Confident55 Ų5557.7 Ų57.729%0.29429%0.289SS..Hα-helixtrans-59.3-49.9172.239.4-79.4000112.8K24 L28 R29 L30 D54 G55K24-D26 VanDerWaalsContact C-N 3.33Å; K24-D26 WeakPolarHBondContact CB-OD1 3Å; K24-D26 WeakPolarHBondContact CB-OD2 3.43Å; D26-L28 VanDerWaalsContact C-N 3.28Å; D26-L28 PolarHBondContact O-N 2.87Å; D26-R29 PolarHBondContact O-N 3.33Å; D26-L30 PolarHBondContact O-N 2.82Å; D26-D54 HydrophobicContact CB-CB 4.26Å; D26-G55 PolarHBondContact OD1-N 2.8Å
27E91.9Very high88.3Confident94 Ų9465.2 Ų65.244%0.43932%0.322SS..Hα-helixtrans-57-38.7171.4-67.5176.6172.900113T23 K24 K31T23-E27 VanDerWaalsContact CA-OE2 3.24Å; T23-E27 WeakPolarHBondContact CA-OE2 3.47Å; T23-E27 HydrophobicContact CG2-CB 3.93Å; T23-E27 WeakPolarHBondContact CG2-OE2 3.48Å; K24-E27 HydrophobicContact CB-CB 4.41Å; K24-E27 HydrophobicContact CB-CG 4.15Å; K24-E27 PolarHBondContact N-OE2 2.93Å; K24-E27 VanDerWaalsContact N-OE2 3.07Å; K24-E27 PolarHBondContact O-N 3.15Å; E27-K31 PolarHBondContact O-N 3.07Å
28L94Very high88.6Confident0 Ų062.9 Ų62.90%031%0.31CS..Hα-helixtrans-67.6-39.5177.8175.861.3000111.7I3 V16 L19 K24 V25 D26 L30 K31 I32 L45 M52 I58I3-L28 HydrophobicContact CD1-CD1 3.94Å; I3-L28 HydrophobicContact CD1-CD2 4.05Å; V16-L28 HydrophobicContact CG1-CD1 4.02Å; L19-L28 HydrophobicContact CD1-CD1 4.26Å; L19-L28 HydrophobicContact CD2-CD1 3.99Å; K24-L28 WeakPolarHBondContact O-CB 3.34Å; K24-L28 PolarHBondContact O-N 2.81Å; V25-L28 WeakPolarHBondContact O-CB 3.24Å; V25-L28 PolarHBondContact O-N 2.73Å; D26-L28 VanDerWaalsContact C-N 3.28Å; D26-L28 PolarHBondContact O-N 2.87Å; L28-L30 VanDerWaalsContact C-N 3.31Å; L28-L30 PolarHBondContact O-N 2.65Å; L28-K31 PolarHBondContact O-N 3.18Å; L28-I32 HydrophobicContact CD1-CD1 4Å; L28-I32 HydrophobicContact CD1-CG1 4.22Å; L28-I32 HydrophobicContact CD2-CD1 4.38Å; L28-I32 HydrophobicContact CG-CD1 3.79Å; L28-I32 HydrophobicContact CG-CG1 4.42Å; L28-I32 WeakPolarHBondContact O-CG1 3.19Å; L28-I32 PolarHBondContact O-N 3.48Å; L28-L45 HydrophobicContact CD2-CD1 4.05Å; L28-L45 HydrophobicContact CG-CD1 4.19Å; L28-M52 HydrophobicContact CD2-CE 4.2Å; L28-I58 HydrophobicContact CD2-CG2 3.97Å
29R94Very high89Confident22 Ų2260.8 Ų60.88%0.08330%0.295CS..Hα-helixtrans-60.1-39.2177-71.5169.6-173-88.4-3112.5V25 D26 I32 M33 P40 Q43 L45 M52 D54V25-R29 WeakPolarHBondContact O-CG 3.16Å; V25-R29 PolarHBondContact O-N 2.77Å; D26-R29 PolarHBondContact O-N 3.33Å; R29-I32 PolarHBondContact O-N 2.71Å; R29-M33 WeakPolarHBondContact O-CB 3.34Å; R29-M33 PolarHBondContact O-N 3.43Å; R29-P40 HydrophobicContact CB-CB 3.99Å; R29-P40 HydrophobicContact CB-CG 4.5Å; R29-P40 PolarHBondContact NH1-O 2.88Å; R29-Q43 VanDerWaalsContact CA-OE1 3.31Å; R29-Q43 PolarHBondContact NH1-O 3.32Å; R29-Q43 PolarHBondContact O-NE2 3.16Å; R29-Q43 PolarHBondContact O-OE1 3.48Å; R29-L45 HydrophobicContact CG-CD1 3.9Å; R29-M52 PolarHBondContact NH2-O 3.31Å; R29-D54 IonicContact CZ-OD1 3.81Å; R29-D54 IonicContact CZ-OD2 2.91Å; R29-D54 IonicContact NE-OD1 3.98Å; R29-D54 PolarHBondContact NE-OD1 2.79Å; R29-D54 IonicContact NE-OD2 3.78Å; R29-D54 PolarHBondContact NE-OD2 3.17Å; R29-D54 IonicContact NH2-OD1 2.8Å; R29-D54 PolarHBondContact NH2-OD1 2.94Å
30L93.6Very high89.5Confident95 Ų9561.6 Ų61.650%0.49730%0.301SS..Hα-helixtrans-61.5-44.6176.3-65.8173.2000111.4D26 L28 I32 M33 E34 P40D26-L30 PolarHBondContact O-N 2.82Å; L28-L30 VanDerWaalsContact C-N 3.31Å; L28-L30 PolarHBondContact O-N 2.65Å; L30-I32 VanDerWaalsContact C-N 3.31Å; L30-I32 PolarHBondContact O-N 2.79Å; L30-M33 HydrophobicContact CD2-CE 4.34Å; L30-M33 WeakPolarHBondContact O-CB 3.15Å; L30-M33 PolarHBondContact O-N 2.7Å; L30-E34 PolarHBondContact O-N 2.71Å; L30-E34 VanDerWaalsContact O-N 3.12Å; L30-P40 HydrophobicContact CD2-CG 4.07Å
31K92.7Very high89.6Confident57 Ų5765.6 Ų65.625%0.24831%0.313CS..Hα-helixtrans-64.9-32.4174.3-68.4-177.5169.6-170.40113.3V16 D17 N18 L19 E27 L28 L35V16-K31 HydrophobicContact CG1-CB 3.86Å; V16-K31 HydrophobicContact CG1-CD 3.89Å; D17-K31 PolarHBondContact O-NZ 2.92Å; N18-K31 PolarHBondContact O-NZ 2.89Å; L19-K31 HydrophobicContact CD2-CD 3.85Å; E27-K31 PolarHBondContact O-N 3.07Å; L28-K31 PolarHBondContact O-N 3.18Å; K31-L35 PolarHBondContact O-N 2.86Å
32I93.6Very high90.4Very high0 Ų064.1 Ų64.10%030%0.304CS..Hα-helixtrans-73-35.9175.7-69.9172000111V5 V16 L28 R29 L30 E34 L35 F36 Q43 L45 L71V5-I32 HydrophobicContact CB-CD1 4.46Å; V5-I32 HydrophobicContact CG1-CD1 4Å; V5-I32 HydrophobicContact CG1-CG1 4.26Å; V5-I32 HydrophobicContact CG1-CG2 4.45Å; V5-I32 HydrophobicContact CG2-CD1 3.69Å; V5-I32 HydrophobicContact CG2-CG1 3.95Å; V16-I32 HydrophobicContact CG2-CG1 4.35Å; L28-I32 HydrophobicContact CD1-CD1 4Å; L28-I32 HydrophobicContact CD1-CG1 4.22Å; L28-I32 HydrophobicContact CD2-CD1 4.38Å; L28-I32 HydrophobicContact CG-CD1 3.79Å; L28-I32 HydrophobicContact CG-CG1 4.42Å; L28-I32 WeakPolarHBondContact O-CG1 3.19Å; L28-I32 PolarHBondContact O-N 3.48Å; R29-I32 PolarHBondContact O-N 2.71Å; L30-I32 VanDerWaalsContact C-N 3.31Å; L30-I32 PolarHBondContact O-N 2.79Å; I32-E34 VanDerWaalsContact C-N 3.34Å; I32-E34 PolarHBondContact O-N 3.02Å; I32-L35 PolarHBondContact O-N 2.91Å; I32-F36 HydrophobicContact CG2-CD2 3.78Å; I32-F36 HydrophobicContact CG2-CE2 4.39Å; I32-F36 HydrophobicContact CG2-CG 4.46Å; I32-F36 PolarHBondContact O-N 3.19Å; I32-Q43 HydrophobicContact CG2-CG 4.42Å; I32-Q43 VanDerWaalsContact CG2-OE1 3.31Å; I32-L45 HydrophobicContact CD1-CD1 3.69Å; I32-L45 HydrophobicContact CD1-CD2 3.52Å; I32-L45 HydrophobicContact CD1-CG 4.27Å; I32-L71 HydrophobicContact CG2-CD1 4.29Å; I32-L71 HydrophobicContact CG2-CD2 3.78Å
33M91.8Very high91Very high56 Ų5658.2 Ų58.228%0.27627%0.273SS..Hα-helixtrans-60.7-43.2173177-166.370.400111R29 L30 L35 K37 V38 P40R29-M33 WeakPolarHBondContact O-CB 3.34Å; R29-M33 PolarHBondContact O-N 3.43Å; L30-M33 HydrophobicContact CD2-CE 4.34Å; L30-M33 WeakPolarHBondContact O-CB 3.15Å; L30-M33 PolarHBondContact O-N 2.7Å; M33-L35 VanDerWaalsContact C-N 3.28Å; M33-L35 PolarHBondContact O-N 2.93Å; M33-K37 VanDerWaalsContact O-CA 3.22Å; M33-K37 WeakPolarHBondContact O-CA 3.38Å; M33-K37 PolarHBondContact O-N 2.81Å; M33-V38 WeakPolarHBondContact CA-O 3.22Å; M33-V38 WeakPolarHBondContact CB-O 3.4Å; M33-P40 HydrophobicContact SD-CG 4.25Å
34E88.1Confident91Very high128 Ų12861.9 Ų61.960%0.59829%0.285SS*.Hα-helixtrans-59.2-36.6176.1-71.618016900113.1L30 I32 K37L30-E34 PolarHBondContact O-N 2.71Å; L30-E34 VanDerWaalsContact O-N 3.12Å; I32-E34 VanDerWaalsContact C-N 3.34Å; I32-E34 PolarHBondContact O-N 3.02Å; E34-K37 WeakPolarHBondContact O-CE 3.34Å; E34-K37 PolarHBondContact O-NZ 2.97Å
35L89.1Confident91Very high67 Ų6757.8 Ų57.835%0.35127%0.268SS..Hα-helixtrans-87.7-51.4-176-67.8164.5000112.9H14 V16 K31 I32 M33H14-L35 HydrophobicContact CB-CB 4.39Å; H14-L35 HydrophobicContact CB-CD1 4.39Å; V16-L35 HydrophobicContact CG2-CD1 3.83Å; K31-L35 PolarHBondContact O-N 2.86Å; I32-L35 PolarHBondContact O-N 2.91Å; M33-L35 VanDerWaalsContact C-N 3.28Å; M33-L35 PolarHBondContact O-N 2.93Å
36F90Very high90.7Very high19 Ų1959.7 Ų59.78%0.08328%0.276CS..Hα-helixtrans-93.1-7.3-174-68.1-95.5000114.1V5 T7 E12 H14 I32 V38 L71V5-F36 HydrophobicContact CB-CE2 3.81Å; V5-F36 HydrophobicContact CB-CZ 4.04Å; V5-F36 HydrophobicContact CG1-CD2 4.4Å; V5-F36 HydrophobicContact CG1-CE2 3.53Å; V5-F36 HydrophobicContact CG1-CZ 3.73Å; V5-F36 WeakPolarHBondContact O-CZ 3.46Å; T7-F36 HydrophobicContact CG2-CD1 4.13Å; T7-F36 HydrophobicContact CG2-CE1 3.97Å; E12-F36 HydrophobicContact CB-CD1 4.44Å; E12-F36 HydrophobicContact CB-CE1 3.94Å; H14-F36 HydrophobicContact CB-CE2 3.81Å; H14-F36 HydrophobicContact CB-CZ 3.81Å; H14-F36 AromaticContact CD2-CE1 3.68Å; H14-F36 AromaticContact CD2-CZ 3.67Å; I32-F36 HydrophobicContact CG2-CD2 3.78Å; I32-F36 HydrophobicContact CG2-CE2 4.39Å; I32-F36 HydrophobicContact CG2-CG 4.46Å; I32-F36 PolarHBondContact O-N 3.19Å; F36-V38 VanDerWaalsContact C-N 3.29Å; F36-V38 HydrophobicContact CB-CG2 4.18Å; F36-V38 PolarHBondContact O-N 2.93Å; F36-L71 HydrophobicContact CB-CD2 4.01Å; F36-L71 HydrophobicContact CD1-CD2 3.83Å; F36-L71 HydrophobicContact CD2-CD2 4.01Å; F36-L71 HydrophobicContact CE1-CD2 4.26Å; F36-L71 HydrophobicContact CE2-CD2 4.44Å; F36-L71 HydrophobicContact CG-CD2 3.67Å
37K89.9Confident90.4Very high162 Ų16257.6 Ų57.670%0.70426%0.264SS*.  trans57.638.5-176-47.4-51.7-176-170.80113.4M33 E34M33-K37 VanDerWaalsContact O-CA 3.22Å; M33-K37 WeakPolarHBondContact O-CA 3.38Å; M33-K37 PolarHBondContact O-N 2.81Å; E34-K37 WeakPolarHBondContact O-CE 3.34Å; E34-K37 PolarHBondContact O-NZ 2.97Å
38V88.9Confident89.8Confident13 Ų1361.9 Ų61.98%0.07928%0.276CS..  trans-116.2120177.4-179.60000110M33 F36 R42 Q43 V73M33-V38 WeakPolarHBondContact CA-O 3.22Å; M33-V38 WeakPolarHBondContact CB-O 3.4Å; F36-V38 VanDerWaalsContact C-N 3.29Å; F36-V38 HydrophobicContact CB-CG2 4.18Å; F36-V38 PolarHBondContact O-N 2.93Å; V38-R42 HydrophobicContact CG1-CB 3.84Å; V38-Q43 HydrophobicContact CB-CG 4.23Å; V38-Q43 HydrophobicContact CG1-CG 3.75Å; V38-Q43 PolarHBondContact O-NE2 3.14Å; V38-V73 HydrophobicContact CG1-CG1 3.83Å; V38-V73 HydrophobicContact CG1-CG2 4.23Å; V38-V73 HydrophobicContact CG2-CG1 4.01Å; V38-V73 HydrophobicContact CG2-CG2 3.82Å
39E89.6Confident88.5Confident100 Ų10065 Ų6547%0.46731%0.308SS..  trans-54.4140.3176.7-52.2-59163.300112.4E41 R42 Q43E39-E41 VanDerWaalsContact C-N 3.28Å; E39-E41 WeakPolarHBondContact CB-OE2 3.49Å; E39-E41 PolarHBondContact O-N 3.21Å; E39-E41 VanDerWaalsContact O-N 3.12Å; E39-R42 HydrophobicContact CB-CG 4.38Å; E39-R42 WeakPolarHBondContact O-CA 3.37Å; E39-R42 WeakPolarHBondContact O-CB 3.46Å; E39-R42 PolarHBondContact O-N 2.97Å; E39-Q43 PolarHBondContact O-N 3.13Å
40P91.4Very high87.3Confident22 Ų2271.1 Ų71.114%0.14334%0.335CS..G310 helixtrans-51.5-37.1-173.4-31.238.3000115.9R29 L30 M33 R42 Q43R29-P40 HydrophobicContact CB-CB 3.99Å; R29-P40 HydrophobicContact CB-CG 4.5Å; R29-P40 PolarHBondContact NH1-O 2.88Å; L30-P40 HydrophobicContact CD2-CG 4.07Å; M33-P40 HydrophobicContact SD-CG 4.25Å; P40-R42 VanDerWaalsContact C-N 3.27Å; P40-R42 PolarHBondContact O-N 3.46Å; P40-Q43 WeakPolarHBondContact O-CB 3.24Å; P40-Q43 PolarHBondContact O-N 3.39Å
41E86.8Confident86.9Confident146 Ų14669.6 Ų69.668%0.68233%0.326SS*.G310 helixtrans-73.3-21.5-178.9-45.376.2-170.700112.2E39E39-E41 VanDerWaalsContact C-N 3.28Å; E39-E41 WeakPolarHBondContact CB-OE2 3.49Å; E39-E41 PolarHBondContact O-N 3.21Å; E39-E41 VanDerWaalsContact O-N 3.12Å
42R89.5Confident86.7Confident85 Ų8566.9 Ų66.932%0.32131%0.314SS..G310 helixtrans-88.8-13.9175.1-62.7-178.159.6-142.9-10.2112.4V38 E39 P40 R74V38-R42 HydrophobicContact CG1-CB 3.84Å; E39-R42 HydrophobicContact CB-CG 4.38Å; E39-R42 WeakPolarHBondContact O-CA 3.37Å; E39-R42 WeakPolarHBondContact O-CB 3.46Å; E39-R42 PolarHBondContact O-N 2.97Å; P40-R42 VanDerWaalsContact C-N 3.27Å; P40-R42 PolarHBondContact O-N 3.46Å; R42-R74 PolarHBondContact NE-O 3.28Å; R42-R74 PolarHBondContact NH2-O 3.14Å; R42-R74 PolarHBondContact O-N 2.66Å
43Q91.9Very high86.2Confident3 Ų371.7 Ų71.71%0.01434%0.336CS..EExtended strand (participates in β ladder)trans-78.6140.9173.8-55.5176.624.600110.5R29 I32 V38 E39 P40 L45 L71R29-Q43 VanDerWaalsContact CA-OE1 3.31Å; R29-Q43 PolarHBondContact NH1-O 3.32Å; R29-Q43 PolarHBondContact O-NE2 3.16Å; R29-Q43 PolarHBondContact O-OE1 3.48Å; I32-Q43 HydrophobicContact CG2-CG 4.42Å; I32-Q43 VanDerWaalsContact CG2-OE1 3.31Å; V38-Q43 HydrophobicContact CB-CG 4.23Å; V38-Q43 HydrophobicContact CG1-CG 3.75Å; V38-Q43 PolarHBondContact O-NE2 3.14Å; E39-Q43 PolarHBondContact O-N 3.13Å; P40-Q43 WeakPolarHBondContact O-CB 3.24Å; P40-Q43 PolarHBondContact O-N 3.39Å; Q43-L45 HydrophobicContact CB-CD2 4.48Å; Q43-L71 HydrophobicContact CB-CD1 3.68Å; Q43-L71 HydrophobicContact CG-CD1 3.81Å
44R89.6Confident85.7Confident90 Ų9073.2 Ų73.234%0.3435%0.345SS..EExtended strand (participates in β ladder)trans-127.5118.1157.8-87.3-179.9165.2-173.6-9107.7F46 L72R44-F46 HydrophobicContact CB-CE2 3.76Å; R44-F46 HydrophobicContact CB-CZ 4.26Å; R44-L72 HydrophobicContact CB-CB 4.04Å; R44-L72 HydrophobicContact CB-CD2 4.49Å; R44-L72 PolarHBondContact N-O 2.88Å; R44-L72 PolarHBondContact O-N 2.96Å
45L91.3Very high84.9Confident0 Ų069.1 Ų69.10%034%0.338CS..EExtended strand (participates in β ladder)trans-98136.6-176.8-56.8-177.9000109.2V25 L28 R29 I32 Q43 M52 V69 Q70 L71V25-L45 HydrophobicContact CG1-CD1 4.2Å; L28-L45 HydrophobicContact CD2-CD1 4.05Å; L28-L45 HydrophobicContact CG-CD1 4.19Å; R29-L45 HydrophobicContact CG-CD1 3.9Å; I32-L45 HydrophobicContact CD1-CD1 3.69Å; I32-L45 HydrophobicContact CD1-CD2 3.52Å; I32-L45 HydrophobicContact CD1-CG 4.27Å; Q43-L45 HydrophobicContact CB-CD2 4.48Å; L45-M52 HydrophobicContact CB-CB 4.08Å; L45-M52 HydrophobicContact CB-CG 4.48Å; L45-M52 HydrophobicContact CB-SD 4.19Å; L45-M52 PolarHBondContact O-N 3.17Å; L45-V69 HydrophobicContact CB-CG1 4.03Å; L45-V69 HydrophobicContact CD2-CG1 4.42Å; L45-Q70 CarbonylContact C-O 3.59Å; L45-Q70 WeakPolarHBondContact CA-O 3.37Å; L45-L71 HydrophobicContact CD2-CB 4.34Å; L45-L71 HydrophobicContact CD2-CD1 3.77Å
46F85.4Confident84.2Confident40 Ų4070.2 Ų70.218%0.17534%0.341CS..EExtended strand (participates in β ladder)trans-130.7140.1178.3-61.9-93000111.3R44 K50 Q51 Q70 L72R44-F46 HydrophobicContact CB-CE2 3.76Å; R44-F46 HydrophobicContact CB-CZ 4.26Å; F46-K50 CarbonylContact C-O 3.51Å; F46-K50 VanDerWaalsContact CA-O 3.24Å; F46-K50 WeakPolarHBondContact CA-O 3.01Å; F46-Q51 HydrophobicContact CD1-CB 3.98Å; F46-Q51 HydrophobicContact CD1-CG 4.44Å; F46-Q51 HydrophobicContact CE1-CB 3.75Å; F46-Q51 HydrophobicContact CE1-CG 4.02Å; F46-Q51 HydrophobicContact CZ-CG 4.34Å; F46-Q70 HydrophobicContact CB-CB 4.34Å; F46-Q70 PolarHBondContact N-O 2.81Å; F46-Q70 PolarHBondContact O-N 3.29Å; F46-L72 HydrophobicContact CD2-CB 4.5Å; F46-L72 HydrophobicContact CE2-CB 3.93Å; F46-L72 HydrophobicContact CE2-CD2 4.2Å
47Y85.6Confident83.9Confident11 Ų1170.3 Ų70.34%0.04334%0.343CS..EExtended strand (participates in β ladder)trans-138.9128.5173.4179.4-104.5000110.2G49 K50 Y61 N62 V63 D67 V69Y47-G49 PolarHBondContact O-N 3.14Å; Y47-G49 VanDerWaalsContact O-N 3.13Å; Y47-K50 PolarHBondContact N-O 2.74Å; Y47-K50 PolarHBondContact O-N 2.76Å; Y47-Y61 WeakPolarHBondContact CD1-O 3.43Å; Y47-Y61 WeakPolarHBondContact CE1-O 3.14Å; Y47-N62 PolarHBondContact OH-O 3.23Å; Y47-V63 HydrophobicContact CD1-CG2 3.76Å; Y47-V63 HydrophobicContact CD2-CG2 4.11Å; Y47-V63 HydrophobicContact CE1-CG2 4.05Å; Y47-V63 HydrophobicContact CE2-CG1 4.47Å; Y47-V63 HydrophobicContact CE2-CG2 4.39Å; Y47-V63 HydrophobicContact CG-CG2 3.79Å; Y47-D67 HydrophobicContact CE2-CB 3.88Å; Y47-D67 WeakPolarHBondContact CE2-OD2 3.32Å; Y47-D67 VanDerWaalsContact CZ-OD2 3.29Å; Y47-D67 PolarHBondContact OH-OD2 3.3Å; Y47-V69 HydrophobicContact CD2-CG2 4.23Å
48R80.1Confident83.5Confident183 Ų18362.6 Ų62.669%0.69131%0.31SS*.THydrogen-bonded Turntrans45.840-172.2-60-177.3-169.6-165.86.7113.5K50R48-K50 PolarHBondContact O-N 3.16Å
49G66.6Low82.9Confident65 Ų6566.4 Ų66.467%0.6733%0.325SS*.THydrogen-bonded Turntrans78.4-12.9-178.400000116Y47Y47-G49 PolarHBondContact O-N 3.14Å; Y47-G49 VanDerWaalsContact O-N 3.13Å
50K67.4Low82.3Confident151 Ų15165.4 Ų65.466%0.65732%0.323SS*.EExtended strand (participates in β ladder)trans-79.7137172.8-63.1-171176.7-172.20110.3F46 Y47 R48F46-K50 CarbonylContact C-O 3.51Å; F46-K50 VanDerWaalsContact CA-O 3.24Å; F46-K50 WeakPolarHBondContact CA-O 3.01Å; Y47-K50 PolarHBondContact N-O 2.74Å; Y47-K50 PolarHBondContact O-N 2.76Å; R48-K50 PolarHBondContact O-N 3.16Å
51Q86.2Confident81.3Confident63 Ų6366 Ų6629%0.29432%0.323SS..EExtended strand (participates in β ladder)trans-70.5139.8167.2-170.1178.7-105.800109.1F46 E53 Y61F46-Q51 HydrophobicContact CD1-CB 3.98Å; F46-Q51 HydrophobicContact CD1-CG 4.44Å; F46-Q51 HydrophobicContact CE1-CB 3.75Å; F46-Q51 HydrophobicContact CE1-CG 4.02Å; F46-Q51 HydrophobicContact CZ-CG 4.34Å; Q51-E53 PolarHBondContact NE2-OE1 3.28Å; Q51-Y61 WeakPolarHBondContact O-CE1 3.26Å
52M88.1Confident81Confident0 Ų064 Ų640%032%0.317CS..EExtended strand (participates in β ladder)trans-96.4129.4175.9-57.7173.267.400109.7V25 L28 R29 L45 I58 Y61 V63 V69V25-M52 HydrophobicContact CG1-CB 3.87Å; V25-M52 HydrophobicContact CG2-CB 4.04Å; V25-M52 HydrophobicContact CG2-CE 4.11Å; L28-M52 HydrophobicContact CD2-CE 4.2Å; R29-M52 PolarHBondContact NH2-O 3.31Å; L45-M52 HydrophobicContact CB-CB 4.08Å; L45-M52 HydrophobicContact CB-CG 4.48Å; L45-M52 HydrophobicContact CB-SD 4.19Å; L45-M52 PolarHBondContact O-N 3.17Å; M52-I58 HydrophobicContact CE-CG2 4.04Å; M52-Y61 HydrophobicContact CB-CD2 4.43Å; M52-Y61 HydrophobicContact CB-CE1 4.48Å; M52-Y61 HydrophobicContact CB-CE2 4.13Å; M52-Y61 HydrophobicContact CE-CD2 4.06Å; M52-Y61 HydrophobicContact CE-CG 4.44Å; M52-Y61 HydrophobicContact CG-CD1 4.12Å; M52-Y61 HydrophobicContact CG-CD2 4.15Å; M52-Y61 HydrophobicContact CG-CE1 4.3Å; M52-Y61 HydrophobicContact CG-CE2 4.31Å; M52-Y61 HydrophobicContact CG-CG 4.07Å; M52-V63 HydrophobicContact CE-CG2 4.18Å; M52-V69 HydrophobicContact SD-CG1 3.75Å; M52-V69 HydrophobicContact SD-CG2 4.03Å
53E82.9Confident80.3Confident102 Ų10260.1 Ų60.148%0.47730%0.302SS..  trans-121.3152.5-169.6-50.8-159.7148.200110.9V25 Q51 Y61V25-E53 VanDerWaalsContact CB-O 3.31Å; V25-E53 WeakPolarHBondContact CB-O 3.49Å; V25-E53 VanDerWaalsContact CG2-O 3.22Å; V25-E53 WeakPolarHBondContact CG2-O 3.3Å; Q51-E53 PolarHBondContact NE2-OE1 3.28Å; E53-Y61 PolarHBondContact N-OH 2.93Å
54D80.9Confident79.4Confident87 Ų8761.2 Ų61.247%0.46532%0.315SS..THydrogen-bonded Turntrans-77.8154.2-166.3-59.1-21.9000111.9V25 D26 R29 H56V25-D54 WeakPolarHBondContact CG1-OD1 3.41Å; D26-D54 HydrophobicContact CB-CB 4.26Å; R29-D54 IonicContact CZ-OD1 3.81Å; R29-D54 IonicContact CZ-OD2 2.91Å; R29-D54 IonicContact NE-OD1 3.98Å; R29-D54 PolarHBondContact NE-OD1 2.79Å; R29-D54 IonicContact NE-OD2 3.78Å; R29-D54 PolarHBondContact NE-OD2 3.17Å; R29-D54 IonicContact NH2-OD1 2.8Å; R29-D54 PolarHBondContact NH2-OD1 2.94Å; D54-H56 PolarHBondContact O-N 2.84Å
55G71.3Confident78.7Confident42 Ų4261.5 Ų61.543%0.43332%0.322SS..THydrogen-bonded Turntrans85.9-30.2-170.500000114.6D26D26-G55 PolarHBondContact OD1-N 2.8Å
56H75.4Confident77.9Confident90 Ų9065 Ų6542%0.41734%0.341SS..SBendtrans-74.3158.9172.6-77-71.6000113K24 V25 D54 D60 Y61K24-H56 CarbonylContact C-O 3.39Å; K24-H56 VanDerWaalsContact CA-O 3.25Å; K24-H56 WeakPolarHBondContact CA-O 3.19Å; V25-H56 PolarHBondContact N-O 2.81Å; D54-H56 PolarHBondContact O-N 2.84Å; H56-D60 WeakPolarHBondContact CA-OD2 3.36Å; H56-D60 WeakPolarHBondContact CB-OD2 3.43Å; H56-D60 IonicContact CG-OD2 3.69Å; H56-D60 IonicContact ND1-OD2 2.69Å; H56-D60 PolarHBondContact ND1-OD2 2.92Å; H56-Y61 HydrophobicContact CB-CE2 3.73Å
57T83Confident77.9Confident22 Ų2265.1 Ų65.114%0.13534%0.343CS..BIsolated β-bridgetrans-96.1156.5175.487.20000112.5K21 T23 F59 D60 Y61K21-T57 PolarHBondContact O-OG1 2.92Å; T23-T57 WeakPolarHBondContact O-CA 3.23Å; T57-F59 PolarHBondContact O-N 2.74Å; T57-F59 PolarHBondContact OG1-N 2.65Å; T57-D60 PolarHBondContact N-OD2 2.74Å; T57-D60 WeakPolarHBondContact O-CB 3.35Å; T57-D60 PolarHBondContact O-N 3Å; T57-D60 VanDerWaalsContact O-N 3.08Å; T57-D60 PolarHBondContact OG1-N 2.87Å; T57-D60 PolarHBondContact OG1-OD1 3.15Å; T57-Y61 WeakPolarHBondContact O-CD2 3.41Å
58I82Confident78.1Confident0 Ų067.8 Ų67.80%036%0.358CS..THydrogen-bonded Turntrans-63.9-18.5173.468.2171.9000113M1 L19 S20 T23 L28 M52 V63M1-I58 HydrophobicContact CE-CD1 3.82Å; M1-I58 HydrophobicContact SD-CD1 4.14Å; L19-I58 HydrophobicContact CB-CD1 4.22Å; L19-I58 HydrophobicContact CD1-CD1 4.45Å; S20-I58 VanDerWaalsContact O-CD1 3.26Å; S20-I58 WeakPolarHBondContact O-CD1 3.31Å; S20-I58 WeakPolarHBondContact O-CG1 3.44Å; T23-I58 PolarHBondContact O-N 2.69Å; L28-I58 HydrophobicContact CD2-CG2 3.97Å; M52-I58 HydrophobicContact CE-CG2 4.04Å; I58-V63 HydrophobicContact CB-CB 4.2Å; I58-V63 HydrophobicContact CB-CG2 4.24Å; I58-V63 VanDerWaalsContact O-CB 3.31Å; I58-V63 WeakPolarHBondContact O-CB 3.1Å; I58-V63 WeakPolarHBondContact O-CG2 3.12Å; I58-V63 PolarHBondContact O-N 2.88Å
59F75.9Confident78.7Confident93 Ų9359 Ų5941%0.40833%0.325SS..THydrogen-bonded Turntrans-75.6-31172.7177.2-112.2000113K21 T57 Y61 N62K21-F59 HydrophobicContact CB-CB 4.07Å; K21-F59 HydrophobicContact CD-CD2 3.8Å; K21-F59 HydrophobicContact CD-CE2 4.33Å; K21-F59 HydrophobicContact CD-CG 4.35Å; K21-F59 HydrophobicContact CG-CB 4.47Å; K21-F59 HydrophobicContact CG-CD2 4.44Å; K21-F59 WeakPolarHBondContact O-CB 3.31Å; K21-F59 PolarHBondContact O-N 3.04Å; T57-F59 PolarHBondContact O-N 2.74Å; T57-F59 PolarHBondContact OG1-N 2.65Å; F59-Y61 PolarHBondContact O-N 2.89Å; F59-N62 WeakPolarHBondContact O-CA 3.21Å; F59-N62 PolarHBondContact O-N 2.99Å
60D76.3Confident79.8Confident78 Ų7859.6 Ų59.642%0.41731%0.31SS..THydrogen-bonded Turntrans-59.6-36176.2-50.40.1000110.6H56 T57 N62H56-D60 WeakPolarHBondContact CA-OD2 3.36Å; H56-D60 WeakPolarHBondContact CB-OD2 3.43Å; H56-D60 IonicContact CG-OD2 3.69Å; H56-D60 IonicContact ND1-OD2 2.69Å; H56-D60 PolarHBondContact ND1-OD2 2.92Å; T57-D60 PolarHBondContact N-OD2 2.74Å; T57-D60 WeakPolarHBondContact O-CB 3.35Å; T57-D60 PolarHBondContact O-N 3Å; T57-D60 VanDerWaalsContact O-N 3.08Å; T57-D60 PolarHBondContact OG1-N 2.87Å; T57-D60 PolarHBondContact OG1-OD1 3.15Å; D60-N62 VanDerWaalsContact C-N 3.29Å; D60-N62 PolarHBondContact O-N 2.97Å
61Y71.1Confident81.1Confident36 Ų3652.4 Ų52.414%0.14128%0.279CS..THydrogen-bonded Turntrans-82.70.6174.3-63-79.2000114V25 Y47 Q51 M52 E53 H56 T57 F59 V63V25-Y61 HydrophobicContact CG2-CD2 4.34Å; V25-Y61 HydrophobicContact CG2-CE2 3.82Å; Y47-Y61 WeakPolarHBondContact CD1-O 3.43Å; Y47-Y61 WeakPolarHBondContact CE1-O 3.14Å; Q51-Y61 WeakPolarHBondContact O-CE1 3.26Å; M52-Y61 HydrophobicContact CB-CD2 4.43Å; M52-Y61 HydrophobicContact CB-CE1 4.48Å; M52-Y61 HydrophobicContact CB-CE2 4.13Å; M52-Y61 HydrophobicContact CE-CD2 4.06Å; M52-Y61 HydrophobicContact CE-CG 4.44Å; M52-Y61 HydrophobicContact CG-CD1 4.12Å; M52-Y61 HydrophobicContact CG-CD2 4.15Å; M52-Y61 HydrophobicContact CG-CE1 4.3Å; M52-Y61 HydrophobicContact CG-CE2 4.31Å; M52-Y61 HydrophobicContact CG-CG 4.07Å; E53-Y61 PolarHBondContact N-OH 2.93Å; H56-Y61 HydrophobicContact CB-CE2 3.73Å; T57-Y61 WeakPolarHBondContact O-CD2 3.41Å; F59-Y61 PolarHBondContact O-N 2.89Å; Y61-V63 VanDerWaalsContact C-N 3.34Å; Y61-V63 PolarHBondContact O-N 2.83Å
62N81Confident81.3Confident104 Ų10452.5 Ų52.556%0.55628%0.281SS*.THydrogen-bonded Turntrans57.635.6-174.1-77.2-80.2000114.9Y47 F59 D60 G64Y47-N62 PolarHBondContact OH-O 3.23Å; F59-N62 WeakPolarHBondContact O-CA 3.21Å; F59-N62 PolarHBondContact O-N 2.99Å; D60-N62 VanDerWaalsContact C-N 3.29Å; D60-N62 PolarHBondContact O-N 2.97Å; N62-G64 PolarHBondContact O-N 3.29Å
63V74.8Confident81.4Confident3 Ų355.1 Ų55.12%0.01830%0.297CS..  trans-68.1122.9177-175.40000110.7M1 I3 Y47 M52 I58 Y61 D67 V69M1-V63 HydrophobicContact CE-CG1 4.5Å; I3-V63 HydrophobicContact CG2-CG1 3.73Å; Y47-V63 HydrophobicContact CD1-CG2 3.76Å; Y47-V63 HydrophobicContact CD2-CG2 4.11Å; Y47-V63 HydrophobicContact CE1-CG2 4.05Å; Y47-V63 HydrophobicContact CE2-CG1 4.47Å; Y47-V63 HydrophobicContact CE2-CG2 4.39Å; Y47-V63 HydrophobicContact CG-CG2 3.79Å; M52-V63 HydrophobicContact CE-CG2 4.18Å; I58-V63 HydrophobicContact CB-CB 4.2Å; I58-V63 HydrophobicContact CB-CG2 4.24Å; I58-V63 VanDerWaalsContact O-CB 3.31Å; I58-V63 WeakPolarHBondContact O-CB 3.1Å; I58-V63 WeakPolarHBondContact O-CG2 3.12Å; I58-V63 PolarHBondContact O-N 2.88Å; Y61-V63 VanDerWaalsContact C-N 3.34Å; Y61-V63 PolarHBondContact O-N 2.83Å; V63-D67 HydrophobicContact CG1-CB 4.13Å; V63-V69 HydrophobicContact CG1-CG2 4.35Å
64G72.9Confident81.5Confident26 Ų2656.2 Ų56.227%0.26830%0.296SS..  trans-86.9-176.8177.500000114.4M1 N62 D67M1-G64 WeakPolarHBondContact CE-O 3.32Å; N62-G64 PolarHBondContact O-N 3.29Å; G64-D67 WeakPolarHBondContact CA-OD2 3.28Å; G64-D67 PolarHBondContact N-OD2 3.27Å
65L73.8Confident81.3Confident96 Ų9661 Ų6150%0.50332%0.316SS..THydrogen-bonded Turntrans-85.8134173.6-178.4149000109.7M1 D67M1-L65 HydrophobicContact CB-CD1 4.1Å; L65-D67 PolarHBondContact O-N 2.85Å
66N76.4Confident80.8Confident72 Ų7267.7 Ų67.739%0.38533%0.333SS..THydrogen-bonded Turntrans65.810.1-170.1-179.767000114.7W2 Q4W2-N66 HydrophobicContact CE3-CB 4.41Å; W2-N66 HydrophobicContact CH2-CB 3.63Å; W2-N66 WeakPolarHBondContact CH2-OD1 3.49Å; W2-N66 HydrophobicContact CZ2-CB 3.88Å; W2-N66 HydrophobicContact CZ3-CB 3.89Å; W2-N66 WeakPolarHBondContact CZ3-OD1 3.11Å; W2-N66 PolarHBondContact O-N 3.27Å; Q4-N66 PolarHBondContact NE2-OD1 2.87Å
67D85.1Confident79.3Confident43 Ų4367.3 Ų67.323%0.2335%0.346CS..PPolyproline II helixtrans-68.3154.1173.2-82.513.6000112.3I3 Q4 Y47 V63 G64 L65I3-D67 WeakPolarHBondContact CB-O 3.04Å; Q4-D67 PolarHBondContact N-O 2.8Å; Y47-D67 HydrophobicContact CE2-CB 3.88Å; Y47-D67 WeakPolarHBondContact CE2-OD2 3.32Å; Y47-D67 VanDerWaalsContact CZ-OD2 3.29Å; Y47-D67 PolarHBondContact OH-OD2 3.3Å; V63-D67 HydrophobicContact CG1-CB 4.13Å; G64-D67 WeakPolarHBondContact CA-OD2 3.28Å; G64-D67 PolarHBondContact N-OD2 3.27Å; L65-D67 PolarHBondContact O-N 2.85Å
68I89.9Confident77.1Confident67 Ų6772.3 Ų72.334%0.34438%0.378SS..EExtended strand (participates in β ladder)trans-100.9117.5179.9-49.3-179.5000110.2Q4 R6Q4-I68 HydrophobicContact CB-CG1 4.18Å; Q4-I68 WeakPolarHBondContact O-CA 3.44Å; R6-I68 HydrophobicContact CB-CG2 3.78Å
69V92.5Very high74.9Confident0 Ų077 Ų770%042%0.417CS..EExtended strand (participates in β ladder)trans-94.2133.7164.5172.90000108.6I3 Q4 V5 R6 L45 Y47 M52 V63I3-V69 HydrophobicContact CD1-CB 4.35Å; I3-V69 HydrophobicContact CD1-CG2 3.85Å; Q4-V69 PolarHBondContact O-N 2.81Å; V5-V69 CarbonylContact C-O 3.56Å; V5-V69 VanDerWaalsContact CA-O 3.27Å; V5-V69 WeakPolarHBondContact CA-O 3.4Å; V5-V69 HydrophobicContact CG2-CB 4.32Å; R6-V69 PolarHBondContact N-O 2.68Å; L45-V69 HydrophobicContact CB-CG1 4.03Å; L45-V69 HydrophobicContact CD2-CG1 4.42Å; Y47-V69 HydrophobicContact CD2-CG2 4.23Å; M52-V69 HydrophobicContact SD-CG1 3.75Å; M52-V69 HydrophobicContact SD-CG2 4.03Å; V63-V69 HydrophobicContact CG1-CG2 4.35Å
70Q89.9Confident72.9Confident76 Ų7676.8 Ų76.836%0.35543%0.433SS..EExtended strand (participates in β ladder)trans-93.7134-179.7-58176.8-63.800110.9R6 M8 L45 F46R6-Q70 CarbonylContact O-C 3.58Å; R6-Q70 WeakPolarHBondContact O-CA 3.47Å; M8-Q70 HydrophobicContact CG-CB 4.4Å; M8-Q70 HydrophobicContact SD-CB 3.57Å; M8-Q70 VanDerWaalsContact SD-CB 3.57Å; M8-Q70 HydrophobicContact SD-CG 4.21Å; L45-Q70 CarbonylContact C-O 3.59Å; L45-Q70 WeakPolarHBondContact CA-O 3.37Å; F46-Q70 HydrophobicContact CB-CB 4.34Å; F46-Q70 PolarHBondContact N-O 2.81Å; F46-Q70 PolarHBondContact O-N 3.29Å
71L93.5Very high70.8Confident1 Ų181 Ų811%0.00546%0.455CS..EExtended strand (participates in β ladder)trans-106.1112.8178.2171.462.1000110.3V5 R6 T7 M8 I32 F36 Q43 L45 V73V5-L71 HydrophobicContact CG1-CB 3.85Å; V5-L71 HydrophobicContact CG1-CD2 4.45Å; R6-L71 PolarHBondContact O-N 3.31Å; T7-L71 CarbonylContact C-O 3.58Å; T7-L71 WeakPolarHBondContact CA-O 3.43Å; M8-L71 PolarHBondContact N-O 2.84Å; I32-L71 HydrophobicContact CG2-CD1 4.29Å; I32-L71 HydrophobicContact CG2-CD2 3.78Å; F36-L71 HydrophobicContact CB-CD2 4.01Å; F36-L71 HydrophobicContact CD1-CD2 3.83Å; F36-L71 HydrophobicContact CD2-CD2 4.01Å; F36-L71 HydrophobicContact CE1-CD2 4.26Å; F36-L71 HydrophobicContact CE2-CD2 4.44Å; F36-L71 HydrophobicContact CG-CD2 3.67Å; Q43-L71 HydrophobicContact CB-CD1 3.68Å; Q43-L71 HydrophobicContact CG-CD1 3.81Å; L45-L71 HydrophobicContact CD2-CB 4.34Å; L45-L71 HydrophobicContact CD2-CD1 3.77Å; L71-V73 HydrophobicContact CD1-CG2 4.43Å; L71-V73 HydrophobicContact CD2-CG2 4.23Å; L71-V73 HydrophobicContact CG-CG2 4.04Å
72L90.8Very high69Low65 Ų6585.5 Ų85.534%0.3449%0.486SS..EExtended strand (participates in β ladder)trans-92.5127.7163.9-176.366.3000109.1M8 R44 F46M8-L72 HydrophobicContact CB-CD1 4.07Å; M8-L72 HydrophobicContact CG-CB 3.76Å; M8-L72 HydrophobicContact CG-CD1 4.04Å; M8-L72 HydrophobicContact CG-CG 4.5Å; R44-L72 HydrophobicContact CB-CB 4.04Å; R44-L72 HydrophobicContact CB-CD2 4.49Å; R44-L72 PolarHBondContact N-O 2.88Å; R44-L72 PolarHBondContact O-N 2.96Å; F46-L72 HydrophobicContact CD2-CB 4.5Å; F46-L72 HydrophobicContact CE2-CB 3.93Å; F46-L72 HydrophobicContact CE2-CD2 4.2Å
73V90.5Very high66.6Low55 Ų5586.7 Ų86.733%0.33350%0.497SS..EExtended strand (participates in β ladder)trans-100.3117.6177.6-178.60000109.6V38 L71V38-V73 HydrophobicContact CG1-CG1 3.83Å; V38-V73 HydrophobicContact CG1-CG2 4.23Å; V38-V73 HydrophobicContact CG2-CG1 4.01Å; V38-V73 HydrophobicContact CG2-CG2 3.82Å; L71-V73 HydrophobicContact CD1-CG2 4.43Å; L71-V73 HydrophobicContact CD2-CG2 4.23Å; L71-V73 HydrophobicContact CG-CG2 4.04Å
74R84.7Confident64.4Low125 Ų12595.9 Ų95.947%0.47254%0.536SS..PPolyproline II helixtrans-73.9129.5174.8-56.4-177.687.3176.23.7109.6R42R42-R74 PolarHBondContact NE-O 3.28Å; R42-R74 PolarHBondContact NH2-O 3.14Å; R42-R74 PolarHBondContact O-N 2.66Å
75Q77.2Confident62.2Low188 Ų188100.4 Ų100.488%0.87956%0.564SS**PPolyproline II helixtrans-67.6147169.1-70.2-175-12.800109.8
76K60.1Low59.8Low182 Ų182105.1 Ų105.179%0.79158%0.581SS**PPolyproline II helixtrans-83.1122.8174.4-171.1176.8-176.7177.40107.5
77A43.8Very low57.4Low82 Ų82107 Ų10768%0.67860%0.599SS**PPolyproline II helixtrans-59.6142172.700000109.9A79A77-A79 PolarHBondContact O-N 2.7Å
78P37.8Very low54.4Low126 Ų126113.9 Ų113.982%0.81863%0.627SS**PPolyproline II helixtrans-61.3134.2171.427.3-33.5000109A80P78-A80 PolarHBondContact O-N 2.74Å
79A35.3Very low51.3Low99 Ų99116.9 Ų116.982%0.81864%0.644SS**PPolyproline II helixtrans-71.8123.2176.200000109A77A77-A79 PolarHBondContact O-N 2.7Å
80A34.1Very low48.1Very low89 Ų89125.2 Ų125.274%0.73668%0.68SS**PPolyproline II helixtrans-74.6125.1171.100000109.7P78 V82P78-A80 PolarHBondContact O-N 2.74Å; A80-V82 PolarHBondContact O-N 2.89Å; A80-V82 VanDerWaalsContact O-N 3.08Å
81D31.7Very low45Very low165 Ų165127.8 Ų127.888%0.88270%0.696SS**  trans-68.7102175.3-82.9-56.2000111V83D81-V83 PolarHBondContact O-N 3.04Å
82V33.3Very low41.7Very low132 Ų132135.4 Ų135.480%0.873%0.729SS**  trans-89.3105.7173.5-179.10000109.7A80A80-V82 PolarHBondContact O-N 2.89Å; A80-V82 VanDerWaalsContact O-N 3.08Å
83V31.2Very low38.7Very low128 Ų128137.5 Ų137.578%0.77674%0.741SS**  trans-62.1134.8177.91770000111.1D81 S85D81-V83 PolarHBondContact O-N 3.04Å; V83-S85 PolarHBondContact O-N 2.83Å
84K28.4Very low35.7Very low196 Ų196143 Ų14385%0.85276%0.76SS**  trans-77.1120.5-177.9-67.8173.1-179.4168.60112.6
85S26.6Very low32.9Very low121 Ų121144.7 Ų144.785%0.84678%0.779SS**  trans-113.7141.6156.9-580000109.9V83V83-S85 PolarHBondContact O-N 2.83Å
86K24.2Very low30.6Very low196 Ų196143.1 Ų143.185%0.85277%0.769SS**  trans-108.2142.4-170-60.2165.5-176.9167.80111.3
87S25.3Very low29Very low110 Ų110141.9 Ų141.977%0.76977%0.766SS**  -176.3129.3118.7-83.90000115
88K22.8Very low28.3Very low189 Ų189141.8 Ų141.882%0.82277%0.765SS**  trans24.2137.2132.6-56171.8-176.4174.40117.9
89N24.7Very low27.8Very low130 Ų130144.2 Ų144.270%0.69577%0.766SS**  cis-159151.941.3-132.4-2.8000114.4
90K23.6Very low27.6Very low174 Ų174146.2 Ų146.276%0.75776%0.762SS**  trans11.7149.7140.8-64.8178.8178.1-175.10120.5
91N25.2Very low27.3Very low131 Ų131146.8 Ų146.870%0.70176%0.76SS**  cis-163.61649.7-129.714.1000114
92K24.2Very low27.1Very low161 Ų161145.3 Ų145.370%0.775%0.753SS**  trans8.1153.7139.5-70.5177152.5-85.90120.8
93D28Very low26.9Very low108 Ų108144.3 Ų144.358%0.57875%0.751SS**  cis-164.2167.5-2.5-113.9-33.4000110.8
94K26.9Very low26.6Very low172 Ų172145.5 Ų145.575%0.74875%0.753SS**  trans6.8148.7152.7-53.3-176.2-179.9-1760121.3
95D26.6Very low26.7Very low160 Ų160141.4 Ų141.486%0.85675%0.75SS**  -162-160.369.8-105.4-37.7000115.6
96K28.8Very low26.6Very low155 Ų155139 Ų13967%0.67474%0.744SS**  trans-122.9156.4-162.3-103.7-179.8147.6-137.30114.1
97E27Very low26.7Very low155 Ų155136.4 Ų136.472%0.72475%0.749SS**  trans64.4150.8148.6-75.5154.1-169.300118
98A28.6Very low26.7Very low81 Ų81134.7 Ų134.767%0.66975%0.749SS**  cis-165.6-176.9-13.900000110.4
99E28.3Very low26.9Very low177 Ų177130.6 Ų130.683%0.82774%0.744SS**  trans71.3148.5161.3-56.8-150.1150.700117.7
100L29.9Very low26.9Very low141 Ų141130.6 Ų130.674%0.73875%0.748SS**  cis-151.4-167.1-2.2-115.8166.2000106.4
101S28.3Very low27Very low100 Ų100131.5 Ų131.570%0.69976%0.755SS**  cis-152.8-178867.40000112.7
102D26.4Very low27.1Very low135 Ų135130.7 Ų130.772%0.72276%0.76SS**  trans-69.8175.8169.2-42.1-87.2000113.1
103S30.1Very low27.3Very low111 Ų111131.4 Ų131.478%0.77677%0.766SS**  cis-146.715218.2-49.20000109.5
104D25Very low27.4Very low152 Ų152130.5 Ų130.581%0.81377%0.768SS**  cis77.6144.149.4-163.239.7000116.9
105S30.2Very low27.4Very low111 Ų111127.7 Ų127.778%0.77676%0.761SS**  trans71.9141-177.5-61.80000118.5
106G24.9Very low27.6Very low71 Ų71127.5 Ų127.573%0.73275%0.753SS**  cis149.1123.4-16.500000116.5
107C26.4Very low27.4Very low141 Ų141126.7 Ų126.795%0.95376%0.756SS**  trans62.9143.8157.2-164.30000120.3
108G24Very low27.4Very low74 Ų74124.7 Ų124.776%0.76376%0.759SS**  trans161.775.4164.400000119.7
109S27.7Very low27.2Very low102 Ų102126.3 Ų126.371%0.71376%0.761SS**  trans-50.4152179.5-520000120.7
110T24.2Very low27.1Very low130 Ų130126 Ų12680%0.79876%0.759SS**  trans60.3128.8139.153.20000122.8
111Q25.6Very low26.9Very low193 Ų193122.8 Ų122.890%0.90276%0.759SS**  -164.6169.8109.9-109.6176.4-12.500112.7
112S28.3Very low26.8Very low115 Ų115124.4 Ų124.480%0.80476%0.756SS**  trans-125.9167.9178.1-53.40000110.1
113E27.6Very low26.7Very low176 Ų176123.7 Ų123.782%0.82276%0.756SS**  trans166.4112154.4-84.3-97.511800106.2
114S30.6Very low26.5Very low88 Ų88127.4 Ų127.462%0.61576%0.761SS**  77.6152.699.976.70000114
115D26.7Very low26.4Very low114 Ų114123.6 Ų123.661%0.6176%0.758SS**  cis-165.8156.923.7-137.9-13.5000116.2
116K30.6Very low26.1Very low156 Ų156126.9 Ų126.968%0.67876%0.761SS**  trans56.9121.7146.2-78.5152.1-160.2151.70128
117N24.1Very low26.1Very low138 Ų138129.7 Ų129.774%0.73876%0.764SS**  61.8123.7120.9-64.821000125.1
118S27.5Very low26Very low112 Ų112128.2 Ų128.278%0.78376%0.762SS**  168.3159101.541.50000110.8
119T25.8Very low26.1Very low116 Ų116128.5 Ų128.571%0.71277%0.765SS**  cis152.5127.6-3537.20000108.9
120H26Very low26Very low171 Ų171130.5 Ų130.579%0.79277%0.773SS**  trans73.7146.8166.8-81.6-82.2000120.9E122H120-E122 IonicContact CE1-OE1 2.77Å; H120-E122 PolarHBondContact CE1-OE1 3.27Å; H120-E122 VanDerWaalsContact CE1-OE1 3.31Å; H120-E122 IonicContact CE1-OE2 2.94Å; H120-E122 IonicContact CG-OE2 2.82Å; H120-E122 VanDerWaalsContact ND1-CD 3.26Å; H120-E122 IonicContact ND1-OE1 3.57Å; H120-E122 PolarHBondContact ND1-OE1 2.83Å; H120-E122 IonicContact ND1-OE2 3.76Å; H120-E122 PolarHBondContact ND1-OE2 3.49Å
121G24.8Very low26.2Very low72 Ų72129.4 Ų129.474%0.74277%0.771SS**  trans162.794.7-179.300000112.2
122E25.2Very low26.4Very low135 Ų135124.8 Ų124.863%0.63177%0.766SS**  trans-137168180-51.999.899.300110.1H120H120-E122 IonicContact CE1-OE1 2.77Å; H120-E122 PolarHBondContact CE1-OE1 3.27Å; H120-E122 VanDerWaalsContact CE1-OE1 3.31Å; H120-E122 IonicContact CE1-OE2 2.94Å; H120-E122 IonicContact CG-OE2 2.82Å; H120-E122 VanDerWaalsContact ND1-CD 3.26Å; H120-E122 IonicContact ND1-OE1 3.57Å; H120-E122 PolarHBondContact ND1-OE1 2.83Å; H120-E122 IonicContact ND1-OE2 3.76Å; H120-E122 PolarHBondContact ND1-OE2 3.49Å
123V26.2Very low26.5Very low120 Ų120128.2 Ų128.273%0.72777%0.769SS**  cis-154.7165.610.881.30000111.3
124E24Very low26.8Very low188 Ų188126 Ų12688%0.87977%0.767SS**  trans65.3144.3165.4-76.4167.6-160.100120
125G23.5Very low27Very low73 Ų73129.4 Ų129.475%0.75378%0.779SS**  trans164.648.8178.200000120.3
126Q25Very low27.8Very low180 Ų180128.4 Ų128.484%0.84179%0.787SS**  trans56.3103.6155.2-65.5-176.7-5.900121.8
127T24.7Very low29.3Very low130 Ų130125.7 Ų125.780%0.79878%0.783SS**  54.412512954.40000123.7
128A24Very low31.9Very low110 Ų110126.7 Ų126.791%0.90978%0.783SS**  trans72.4114.8144.900000119.9
129G25.7Very low34.4Very low80 Ų80125.7 Ų125.783%0.82577%0.768SS**  trans17392.5172.500000113.9
130T26.1Very low37.2Very low143 Ų143123.6 Ų123.688%0.87776%0.755SS**  trans-63.8125.5-176.2-51.10000114.6
131S28Very low39.9Very low107 Ų107121.5 Ų121.575%0.74874%0.741SS**  167.9129.7119.7510000112
132A30.5Very low42.4Very low96 Ų96119.7 Ų119.779%0.79372%0.716SS**  trans-89.1127.5167.600000109.2T134A132-T134 PolarHBondContact O-N 2.75Å
133Q30.3Very low44.8Very low188 Ų188115.9 Ų115.988%0.87971%0.713SS**  trans-73.5106.3174.2-72.6179-34.200109.9
134T32.5Very low47.2Very low128 Ų128112.7 Ų112.779%0.78569%0.69SS**  trans-78.4117.7167.850.10000109.5A132 A136A132-T134 PolarHBondContact O-N 2.75Å; T134-A136 PolarHBondContact O-N 3.48Å
135N36Very low49.8Very low161 Ų161104.7 Ų104.786%0.86166%0.657SS**  trans-64.997168.9-75.6-20.7000109.4V137N135-V137 PolarHBondContact O-N 2.81Å
136A44Very low52.5Low93 Ų93107.7 Ų107.777%0.76965%0.65SS**PPolyproline II helixtrans-70.1126.8171.800000109.4T134 E138T134-A136 PolarHBondContact O-N 3.48Å; A136-E138 PolarHBondContact O-N 3Å
137V61.8Low55.5Low98 Ų9899.3 Ų99.359%0.59461%0.611SS**PPolyproline II helixtrans-74.8120.9174.9-178.10000108.5N135 N150N135-V137 PolarHBondContact O-N 2.81Å; V137-N150 HydrophobicContact CG1-CB 3.69Å
138E77.3Confident58.5Low159 Ų15997.3 Ų97.374%0.74359%0.591SS**PPolyproline II helixtrans-71.8130.3-174.5-168.7169.9-165.800111.9A136 V140 N150A136-E138 PolarHBondContact O-N 3Å; E138-V140 PolarHBondContact O-N 3.23Å; E138-N150 PolarHBondContact O-ND2 3.02Å
139L81.8Confident61.4Low91 Ų9193.5 Ų93.548%0.47656%0.555SS.*  trans-86.294.8180-70.2174.6000110.6K148 I149 N150 E151L139-K148 HydrophobicContact CB-CB 4.4Å; L139-K148 HydrophobicContact CB-CD 4Å; L139-I149 WeakPolarHBondContact CA-O 3.34Å; L139-N150 VanDerWaalsContact CD2-C 3.49Å; L139-N150 HydrophobicContact CD2-CB 4.13Å; L139-E151 HydrophobicContact CD2-CB 4.21Å
140V84.1Confident64.3Low72 Ų7291.9 Ų91.944%0.43653%0.528SS..BIsolated β-bridgetrans-83.7121.3-175.7-177.90000110.7E138 P142 I149E138-V140 PolarHBondContact O-N 3.23Å; V140-P142 WeakPolarHBondContact O-CD 3.5Å; V140-I149 HydrophobicContact CB-CB 4.26Å; V140-I149 PolarHBondContact N-O 2.93Å; V140-I149 PolarHBondContact O-N 3.12Å
141Y82.3Confident67.2Low128 Ų12887.4 Ų87.450%0.50250%0.497SS..  trans-85.4120.3172.6-177.9-115.1000110.5G143 K148Y141-G143 VanDerWaalsContact CE1-CA 3.41Å; Y141-G143 PolarHBondContact O-N 3.13Å; Y141-K148 HydrophobicContact CD2-CG 4.14Å
142P77.9Confident70.2Confident34 Ų3484.8 Ų84.822%0.22147%0.474CS..  trans-79.65-174.431.5-34.6000114.3V140 F144 I149 V171V140-P142 WeakPolarHBondContact O-CD 3.5Å; P142-F144 HydrophobicContact CB-CE1 4.34Å; P142-F144 HydrophobicContact CB-CZ 4.39Å; P142-F144 WeakPolarHBondContact CG-O 3.21Å; P142-F144 VanDerWaalsContact O-CD1 3.26Å; P142-F144 WeakPolarHBondContact O-CD1 3.5Å; P142-F144 VanDerWaalsContact O-CE1 3.26Å; P142-F144 WeakPolarHBondContact O-CE1 3.46Å; P142-I149 HydrophobicContact CB-CD1 4.31Å; P142-V171 HydrophobicContact CB-CB 4.48Å; P142-V171 HydrophobicContact CG-CB 3.88Å; P142-V171 HydrophobicContact CG-CG2 3.94Å
143G74.8Confident73.1Confident55 Ų5580.2 Ų80.257%0.56744%0.436SS*.SBendtrans88.8-6.1-179.700000114.9Y141Y141-G143 VanDerWaalsContact CE1-CA 3.41Å; Y141-G143 PolarHBondContact O-N 3.13Å
144F76.8Confident76.2Confident53 Ų5371.3 Ų71.323%0.23239%0.394CS..SBendtrans-153.5160.8178.954.1-89.2000111.1P142 V171 K173 I193P142-F144 HydrophobicContact CB-CE1 4.34Å; P142-F144 HydrophobicContact CB-CZ 4.39Å; P142-F144 WeakPolarHBondContact CG-O 3.21Å; P142-F144 VanDerWaalsContact O-CD1 3.26Å; P142-F144 WeakPolarHBondContact O-CD1 3.5Å; P142-F144 VanDerWaalsContact O-CE1 3.26Å; P142-F144 WeakPolarHBondContact O-CE1 3.46Å; F144-V171 HydrophobicContact CD2-CG1 4.28Å; F144-V171 HydrophobicContact CE2-CB 4.29Å; F144-V171 HydrophobicContact CE2-CG1 3.88Å; F144-V171 WeakPolarHBondContact CZ-O 3.42Å; F144-K173 HydrophobicContact CD1-CG 4.42Å; F144-K173 HydrophobicContact CD2-CD 4.37Å; F144-K173 HydrophobicContact CD2-CG 3.59Å; F144-K173 HydrophobicContact CE1-CG 4.44Å; F144-K173 HydrophobicContact CE2-CG 3.61Å; F144-K173 HydrophobicContact CG-CD 4.37Å; F144-K173 HydrophobicContact CG-CG 4.03Å; F144-K173 HydrophobicContact CZ-CG 4.07Å; F144-I193 HydrophobicContact CD2-CD1 4.39Å; F144-I193 HydrophobicContact CD2-CG2 4.27Å
145G77.5Confident79Confident19 Ų1965.2 Ų65.220%0.19636%0.357CS..SBendtrans84.3176.1-17800000113.9Y195G145-Y195 VanDerWaalsContact CA-OH 3.31Å; G145-Y195 WeakPolarHBondContact CA-OH 3.38Å
146F81.8Confident81.7Confident137 Ų13759.4 Ų59.460%0.60132%0.323SS*.SBendtrans-95.6-21.9-173.1-60.6-70.2000113.8Y195 P296F146-Y195 PolarHBondContact N-OH 2.84Å; F146-P296 HydrophobicContact CB-CB 4.27Å; F146-P296 HydrophobicContact CD1-CB 4.36Å; F146-P296 HydrophobicContact CG-CB 4.34Å
147Y86.8Confident83.8Confident4 Ų456.7 Ų56.72%0.01630%0.296CS..SBendtrans-120.1143.1-174.2-46-55.4000111V153 Y195 V215 R216 P217 P296Y147-V153 HydrophobicContact CG-CG1 4.36Å; Y147-Y195 AromaticContact CD2-CD1 3.89Å; Y147-Y195 HydrophobicContact CD2-CD1 3.89Å; Y147-Y195 AromaticContact CD2-CE1 3.57Å; Y147-Y195 HydrophobicContact CD2-CE1 3.57Å; Y147-Y195 HydrophobicContact CD2-CE2 4.31Å; Y147-Y195 HydrophobicContact CD2-CG 4.39Å; Y147-Y195 AromaticContact CD2-CZ 3.81Å; Y147-Y195 HydrophobicContact CG-CE1 4.19Å; Y147-V215 HydrophobicContact CD2-CB 4.33Å; Y147-V215 HydrophobicContact CD2-CG1 3.7Å; Y147-V215 HydrophobicContact CE2-CB 3.89Å; Y147-V215 HydrophobicContact CE2-CG1 3.63Å; Y147-V215 VanDerWaalsContact CE2-O 3.31Å; Y147-V215 WeakPolarHBondContact CE2-O 3.21Å; Y147-V215 PolarHBondContact OH-O 3.45Å; Y147-R216 WeakPolarHBondContact OH-CA 3.34Å; Y147-P217 HydrophobicContact CE1-CG 4.05Å; Y147-P296 HydrophobicContact CE1-CB 4.43Å
148K87.4Confident84.8Confident87 Ų8756.4 Ų56.438%0.37829%0.29SS..  trans-83.8156.7178.1-62.2171.5-173173.30110.9L139 Y141 E151 I168L139-K148 HydrophobicContact CB-CB 4.4Å; L139-K148 HydrophobicContact CB-CD 4Å; Y141-K148 HydrophobicContact CD2-CG 4.14Å; K148-E151 HydrophobicContact CB-CB 4.28Å; K148-E151 PolarHBondContact N-OE2 3.39Å; K148-E151 WeakPolarHBondContact O-CB 3.37Å; K148-E151 PolarHBondContact O-N 2.63Å; K148-I168 VanDerWaalsContact O-CB 3.24Å; K148-I168 WeakPolarHBondContact O-CB 3.26Å; K148-I168 WeakPolarHBondContact O-CG1 3.28Å; K148-I168 WeakPolarHBondContact O-CG2 3.49Å
149I86.4Confident84.9Confident30 Ų3056 Ų5615%0.15429%0.293CS..BIsolated β-bridgetrans-64.7142166.5-61.1173000108.4L139 V140 P142 E151 V169 V171L139-I149 WeakPolarHBondContact CA-O 3.34Å; V140-I149 HydrophobicContact CB-CB 4.26Å; V140-I149 PolarHBondContact N-O 2.93Å; V140-I149 PolarHBondContact O-N 3.12Å; P142-I149 HydrophobicContact CB-CD1 4.31Å; I149-E151 PolarHBondContact O-N 3.15Å; I149-V169 WeakPolarHBondContact CG2-O 3.43Å; I149-V171 HydrophobicContact CG1-CG2 4.23Å
150N85.3Confident84.9Confident47 Ų4754.7 Ų54.725%0.25129%0.285SS..THydrogen-bonded Turntrans69.23-169.6-53.1-45.6000115.9V137 E138 L139 Q167 I168V137-N150 HydrophobicContact CG1-CB 3.69Å; E138-N150 PolarHBondContact O-ND2 3.02Å; L139-N150 VanDerWaalsContact CD2-C 3.49Å; L139-N150 HydrophobicContact CD2-CB 4.13Å; N150-Q167 PolarHBondContact O-NE2 2.81Å; N150-I168 WeakPolarHBondContact CA-O 3.31Å; N150-I168 PolarHBondContact N-O 3.16Å
151E87.9Confident85Confident49 Ų4951.4 Ų51.423%0.22927%0.266CS..  trans-71.5141.6178.2-166169.1159.300112.5L139 K148 I149 Q167 I168L139-E151 HydrophobicContact CD2-CB 4.21Å; K148-E151 HydrophobicContact CB-CB 4.28Å; K148-E151 PolarHBondContact N-OE2 3.39Å; K148-E151 WeakPolarHBondContact O-CB 3.37Å; K148-E151 PolarHBondContact O-N 2.63Å; I149-E151 PolarHBondContact O-N 3.15Å; E151-Q167 WeakPolarHBondContact O-CA 3.47Å; E151-I168 HydrophobicContact CB-CG1 4.27Å; E151-I168 PolarHBondContact O-N 2.96Å
152L90.7Very high85.5Confident52 Ų5245.3 Ų45.327%0.27224%0.242SC..EExtended strand (participates in β ladder)trans-85.7122.7177.4-61.1-176.1000110.9Q167 R218 P309L152-Q167 HydrophobicContact CD2-CB 4.16Å; L152-Q167 HydrophobicContact CD2-CG 4.13Å; L152-R218 HydrophobicContact CB-CB 4.34Å; L152-R218 WeakPolarHBondContact O-CB 3.38Å; L152-R218 PolarHBondContact O-N 2.87Å; L152-P309 HydrophobicContact CD1-CG 4.4Å
153V92.6Very high86.2Confident0 Ų044 Ų440%023%0.233CC..EExtended strand (participates in β ladder)trans-128.2166.2-173.8-69.60000111.1Y147 A166 I168 V215 R216 R218Y147-V153 HydrophobicContact CG-CG1 4.36Å; V153-A166 HydrophobicContact CG2-CB 4.1Å; V153-A166 WeakPolarHBondContact CG2-O 3.24Å; V153-A166 PolarHBondContact N-O 2.91Å; V153-A166 PolarHBondContact O-N 3.13Å; V153-I168 HydrophobicContact CB-CD1 4.47Å; V153-I168 HydrophobicContact CG1-CD1 3.88Å; V153-I168 HydrophobicContact CG1-CG1 4.01Å; V153-I168 HydrophobicContact CG2-CD1 3.81Å; V153-I168 HydrophobicContact CG2-CG1 4.29Å; V153-V215 HydrophobicContact CB-CG1 3.79Å; V153-V215 HydrophobicContact CG1-CG1 3.81Å; V153-V215 HydrophobicContact CG2-CG1 3.9Å; V153-R216 CarbonylContact C-O 3.54Å; V153-R216 VanDerWaalsContact CA-O 3.23Å; V153-R216 WeakPolarHBondContact CA-O 3.49Å; V153-R216 WeakPolarHBondContact CB-O 3.45Å; V153-R218 PolarHBondContact O-NE 2.82Å; V153-R218 PolarHBondContact O-NH2 2.88Å
154D93.8Very high87Confident0 Ų042.1 Ų42.10%021%0.209CC..EExtended strand (participates in β ladder)trans-100.3129.1154.6-70-39.9000108.7W163 F164 V215 R216 R218 A219 R312D154-W163 HydrophobicContact CB-CB 4.47Å; D154-W163 HydrophobicContact CB-CE3 4.08Å; D154-W163 WeakPolarHBondContact O-CZ3 3.48Å; D154-F164 WeakPolarHBondContact CA-O 3.49Å; D154-V215 WeakPolarHBondContact O-CA 3.3Å; D154-R216 HydrophobicContact CB-CG 3.99Å; D154-R216 PolarHBondContact N-O 3Å; D154-R216 PolarHBondContact O-N 3.45Å; D154-R218 VanDerWaalsContact OD1-CD 3.27Å; D154-R218 WeakPolarHBondContact OD1-CD 3.4Å; D154-R218 IonicContact OD1-NE 2.88Å; D154-R218 PolarHBondContact OD1-NE 2.85Å; D154-A219 VanDerWaalsContact OD2-CB 3.3Å; D154-A219 WeakPolarHBondContact OD2-CB 3.48Å; D154-A219 PolarHBondContact OD2-N 2.97Å; D154-R312 IonicContact OD1-CZ 3.19Å; D154-R312 VanDerWaalsContact OD1-CZ 3.24Å; D154-R312 IonicContact OD1-NH1 3.19Å; D154-R312 PolarHBondContact OD1-NH1 2.96Å; D154-R312 IonicContact OD1-NH2 2.78Å; D154-R312 PolarHBondContact OD1-NH2 2.87Å; D154-R312 IonicContact OD2-CZ 2.69Å; D154-R312 IonicContact OD2-NH1 2.67Å; D154-R312 PolarHBondContact OD2-NH1 3.1Å; D154-R312 IonicContact OD2-NH2 2.65Å
155A92.9Very high87.8Confident0 Ų039.9 Ų39.90%020%0.199CC..EExtended strand (participates in β ladder)trans-113.6138.9178.800000109.7W163 F164 A166 V197 Y199 L210 D214A155-W163 WeakPolarHBondContact O-CA 3.4Å; A155-F164 PolarHBondContact N-O 3.23Å; A155-F164 PolarHBondContact O-N 3.45Å; A155-A166 HydrophobicContact CB-CB 3.66Å; A155-V197 HydrophobicContact CB-CG2 4.12Å; A155-Y199 HydrophobicContact CB-CD1 4.49Å; A155-Y199 HydrophobicContact CB-CE1 3.73Å; A155-L210 HydrophobicContact CB-CD1 3.68Å; A155-D214 CarbonylContact C-O 3.5Å; A155-D214 WeakPolarHBondContact CA-O 3.48Å
156R90.9Very high88.5Confident40 Ų4039 Ų3915%0.15119%0.19CC..EExtended strand (participates in β ladder)trans-90.6128.3-177.9-163.1-168.9-59.6145.91.9110.8A162 W163 K213 D214R156-A162 CarbonylContact C-O 3.51Å; R156-A162 WeakPolarHBondContact CA-O 3.39Å; R156-W163 HydrophobicContact CB-CD2 4.01Å; R156-W163 HydrophobicContact CB-CE3 3.81Å; R156-W163 HydrophobicContact CB-CH2 4.33Å; R156-W163 HydrophobicContact CB-CZ3 3.96Å; R156-W163 HydrophobicContact CG-CD2 4.26Å; R156-K213 PolarHBondContact NH2-O 2.74Å; R156-D214 HydrophobicContact CB-CB 4.19Å; R156-D214 IonicContact CZ-OD1 2.69Å; R156-D214 PolarHBondContact N-O 2.85Å; R156-D214 IonicContact NE-OD1 3.78Å; R156-D214 IonicContact NH1-OD1 3.84Å; R156-D214 PolarHBondContact NH1-OD1 3.19Å
157D88.6Confident89Confident36 Ų3635.4 Ų35.419%0.19318%0.175CC..  trans-73.1128.6163.9175.7-95.3000110.1N159 M160 G161 A162 F164D157-N159 VanDerWaalsContact C-N 3.34Å; D157-N159 PolarHBondContact O-N 3.12Å; D157-N159 WeakPolarHBondContact OD1-CA 3.5Å; D157-N159 VanDerWaalsContact OD1-CB 3.31Å; D157-N159 WeakPolarHBondContact OD1-CB 3.27Å; D157-N159 PolarHBondContact OD1-N 2.95Å; D157-N159 PolarHBondContact OD2-ND2 3.06Å; D157-M160 HydrophobicContact CB-CG 4.06Å; D157-M160 HydrophobicContact CB-SD 4.33Å; D157-M160 WeakPolarHBondContact OD1-CG 3.46Å; D157-M160 PolarHBondContact OD1-N 3.09Å; D157-G161 WeakPolarHBondContact O-CA 3.48Å; D157-G161 PolarHBondContact O-N 3.44Å; D157-A162 PolarHBondContact N-O 2.85Å; D157-F164 HydrophobicContact CB-CD2 4.23Å; D157-F164 HydrophobicContact CB-CE2 3.91Å
158L82.9Confident89.2Confident91 Ų9135.2 Ų35.248%0.47618%0.175SC..THydrogen-bonded Turntrans-78.7-15.2-173.8-59.4178.8000113.6L210 D214L158-L210 HydrophobicContact CD1-CD2 4.11Å; L158-L210 HydrophobicContact CD2-CD2 4.47Å; L158-L210 HydrophobicContact CG-CD2 4.16Å; L158-D214 HydrophobicContact CD2-CB 4.39Å
159N80.1Confident89.3Confident151 Ų15134 Ų3481%0.80718%0.175SC*.THydrogen-bonded Turntrans-87.9-45.9-178-52.9-69.9000111.6D157D157-N159 VanDerWaalsContact C-N 3.34Å; D157-N159 PolarHBondContact O-N 3.12Å; D157-N159 WeakPolarHBondContact OD1-CA 3.5Å; D157-N159 VanDerWaalsContact OD1-CB 3.31Å; D157-N159 WeakPolarHBondContact OD1-CB 3.27Å; D157-N159 PolarHBondContact OD1-N 2.95Å; D157-N159 PolarHBondContact OD2-ND2 3.06Å
160M81.8Confident89.5Confident63 Ų6335.8 Ų35.831%0.3118%0.184SC..THydrogen-bonded Turntrans-101.6-17.9-177.777.1-160.4-63.500113.4D157 A162 F164 Y248 Y250D157-M160 HydrophobicContact CB-CG 4.06Å; D157-M160 HydrophobicContact CB-SD 4.33Å; D157-M160 WeakPolarHBondContact OD1-CG 3.46Å; D157-M160 PolarHBondContact OD1-N 3.09Å; M160-A162 VanDerWaalsContact C-N 3.3Å; M160-A162 HydrophobicContact CE-CB 4.29Å; M160-A162 HydrophobicContact CG-CB 3.72Å; M160-A162 PolarHBondContact O-N 3.25Å; M160-A162 HydrophobicContact SD-CB 4.1Å; M160-F164 HydrophobicContact CE-CZ 4.3Å; M160-F164 HydrophobicContact SD-CE2 3.72Å; M160-F164 HydrophobicContact SD-CZ 3.68Å; M160-Y248 HydrophobicContact CE-CD1 4.22Å; M160-Y248 HydrophobicContact CE-CD2 3.37Å; M160-Y248 HydrophobicContact CE-CE1 4.34Å; M160-Y248 HydrophobicContact CE-CE2 3.52Å; M160-Y248 HydrophobicContact CE-CG 3.75Å; M160-Y250 WeakPolarHBondContact O-CE1 3.41Å
161G86.4Confident89.7Confident3 Ų333.8 Ų33.83%0.03117%0.174CC..  trans77.58.7-179.700000115.4D157D157-G161 WeakPolarHBondContact O-CA 3.48Å; D157-G161 PolarHBondContact O-N 3.44Å
162A91.4Very high89.8Confident0 Ų033.6 Ų33.60%018%0.176CC..  trans-83.3155.9177.200000111.8R156 D157 M160 F164 W249 Y250R156-A162 CarbonylContact C-O 3.51Å; R156-A162 WeakPolarHBondContact CA-O 3.39Å; D157-A162 PolarHBondContact N-O 2.85Å; M160-A162 VanDerWaalsContact C-N 3.3Å; M160-A162 HydrophobicContact CE-CB 4.29Å; M160-A162 HydrophobicContact CG-CB 3.72Å; M160-A162 PolarHBondContact O-N 3.25Å; M160-A162 HydrophobicContact SD-CB 4.1Å; A162-F164 HydrophobicContact CB-CE2 3.82Å; A162-F164 HydrophobicContact CB-CZ 4.18Å; A162-W249 CarbonylContact C-O 3.6Å; A162-W249 VanDerWaalsContact CA-O 3.23Å; A162-W249 WeakPolarHBondContact CA-O 3.39Å; A162-W249 WeakPolarHBondContact CB-O 3.5Å; A162-Y250 HydrophobicContact CB-CD1 4.16Å; A162-Y250 HydrophobicContact CB-CE1 3.71Å
163W92.9Very high89.6Confident7 Ų735.1 Ų35.13%0.02718%0.18CC..EExtended strand (participates in β ladder)trans-101.7137.6175.2-64.393000111.3D154 A155 R156 D214 R216 M235 W249 D251D154-W163 HydrophobicContact CB-CB 4.47Å; D154-W163 HydrophobicContact CB-CE3 4.08Å; D154-W163 WeakPolarHBondContact O-CZ3 3.48Å; A155-W163 WeakPolarHBondContact O-CA 3.4Å; R156-W163 HydrophobicContact CB-CD2 4.01Å; R156-W163 HydrophobicContact CB-CE3 3.81Å; R156-W163 HydrophobicContact CB-CH2 4.33Å; R156-W163 HydrophobicContact CB-CZ3 3.96Å; R156-W163 HydrophobicContact CG-CD2 4.26Å; W163-D214 WeakPolarHBondContact CZ3-O 3.47Å; W163-R216 VanDerWaalsContact CD1-NH2 3.3Å; W163-R216 VanDerWaalsContact CE2-NH1 3.27Å; W163-R216 HydrophobicContact CE3-CG 4.12Å; W163-R216 HydrophobicContact CH2-CB 4.37Å; W163-R216 HydrophobicContact CH2-CG 3.97Å; W163-R216 HydrophobicContact CZ3-CB 4.29Å; W163-R216 HydrophobicContact CZ3-CG 3.68Å; W163-M235 HydrophobicContact CB-SD 4.14Å; W163-W249 PolarHBondContact N-O 2.97Å; W163-D251 PolarHBondContact NE1-OD1 3.22Å; W163-D251 PolarHBondContact NE1-OD2 3.46Å
164F92.4Very high88.8Confident15 Ų1537.6 Ų37.67%0.06620%0.196CC..EExtended strand (participates in β ladder)trans-131.9148.7-178-65.4-87.9000111.6D154 A155 D157 M160 A162 A166 Y199 Y202 Y248D154-F164 WeakPolarHBondContact CA-O 3.49Å; A155-F164 PolarHBondContact N-O 3.23Å; A155-F164 PolarHBondContact O-N 3.45Å; D157-F164 HydrophobicContact CB-CD2 4.23Å; D157-F164 HydrophobicContact CB-CE2 3.91Å; M160-F164 HydrophobicContact CE-CZ 4.3Å; M160-F164 HydrophobicContact SD-CE2 3.72Å; M160-F164 HydrophobicContact SD-CZ 3.68Å; A162-F164 HydrophobicContact CB-CE2 3.82Å; A162-F164 HydrophobicContact CB-CZ 4.18Å; F164-A166 PolarHBondContact O-N 2.88Å; F164-Y199 HydrophobicContact CB-CD1 3.65Å; F164-Y199 HydrophobicContact CB-CE1 3.65Å; F164-Y199 HydrophobicContact CD2-CE1 4.42Å; F164-Y199 HydrophobicContact CG-CE1 4.39Å; F164-Y202 AromaticContact CD1-CE2 3.75Å; F164-Y202 HydrophobicContact CD1-CE2 3.75Å; F164-Y202 AromaticContact CE1-CE2 3.9Å; F164-Y202 HydrophobicContact CE1-CE2 3.9Å; F164-Y248 AromaticContact CE1-CD1 3.66Å; F164-Y248 HydrophobicContact CE1-CD1 3.66Å; F164-Y248 HydrophobicContact CE1-CE1 4.02Å; F164-Y248 AromaticContact CZ-CD1 3.73Å; F164-Y248 HydrophobicContact CZ-CD1 3.73Å; F164-Y248 HydrophobicContact CZ-CE1 4.13Å; F164-Y248 HydrophobicContact CZ-CG 4.4Å
165E92.6Very high87.5Confident6 Ų642.7 Ų42.73%0.02823%0.227CC..EExtended strand (participates in β ladder)trans-58.9118.6172.3-71.693.2142.100111.6Y199 E200 R312E165-Y199 WeakPolarHBondContact O-CA 3.44Å; E165-E200 HydrophobicContact CB-CB 4.31Å; E165-E200 HydrophobicContact CB-CG 4.29Å; E165-E200 PolarHBondContact O-N 3.21Å; E165-R312 VanDerWaalsContact CD-CZ 3.49Å; E165-R312 VanDerWaalsContact OE1-CB 3.28Å; E165-R312 WeakPolarHBondContact OE1-CB 3.21Å; E165-R312 IonicContact OE1-CZ 2.7Å; E165-R312 PolarHBondContact OE1-N 2.86Å; E165-R312 IonicContact OE1-NE 3.4Å; E165-R312 PolarHBondContact OE1-NE 2.84Å; E165-R312 IonicContact OE1-NH2 3.54Å; E165-R312 IonicContact OE2-CZ 2.66Å; E165-R312 IonicContact OE2-NE 3.52Å; E165-R312 IonicContact OE2-NH2 2.68Å; E165-R312 PolarHBondContact OE2-NH2 2.97Å
166A92Very high85.6Confident0 Ų048.9 Ų48.90%025%0.254CS..EExtended strand (participates in β ladder)trans-139.8166.717800000113.3V153 A155 F164 V197 K198 Y199 R218V153-A166 HydrophobicContact CG2-CB 4.1Å; V153-A166 WeakPolarHBondContact CG2-O 3.24Å; V153-A166 PolarHBondContact N-O 2.91Å; V153-A166 PolarHBondContact O-N 3.13Å; A155-A166 HydrophobicContact CB-CB 3.66Å; F164-A166 PolarHBondContact O-N 2.88Å; A166-V197 HydrophobicContact CB-CB 4.37Å; A166-K198 CarbonylContact C-O 3.44Å; A166-K198 WeakPolarHBondContact CA-O 3.36Å; A166-K198 WeakPolarHBondContact CB-O 3.49Å; A166-Y199 HydrophobicContact CB-CD1 3.84Å; A166-Y199 HydrophobicContact CB-CE1 4.33Å; A166-R218 VanDerWaalsContact N-NH2 3.13Å; A166-R218 PolarHBondContact O-NH2 2.85Å
167Q92.3Very high83.3Confident63 Ų6353.1 Ų53.129%0.29428%0.284SS..EExtended strand (participates in β ladder)trans-122.4142.5173.1-172.61763600110.7N150 E151 L152 V169 V197 K198N150-Q167 PolarHBondContact O-NE2 2.81Å; E151-Q167 WeakPolarHBondContact O-CA 3.47Å; L152-Q167 HydrophobicContact CD2-CB 4.16Å; L152-Q167 HydrophobicContact CD2-CG 4.13Å; Q167-V169 PolarHBondContact O-N 3.49Å; Q167-V197 WeakPolarHBondContact O-CA 3.14Å; Q167-K198 PolarHBondContact N-O 3.46Å; Q167-K198 PolarHBondContact O-N 2.66Å
168I91Very high81.1Confident0 Ų056.3 Ų56.30%031%0.307CS..EExtended strand (participates in β ladder)trans-71.1121.3169.9-52-59.1000109.7K148 N150 E151 V153 V171 Y195 V197 V215K148-I168 VanDerWaalsContact O-CB 3.24Å; K148-I168 WeakPolarHBondContact O-CB 3.26Å; K148-I168 WeakPolarHBondContact O-CG1 3.28Å; K148-I168 WeakPolarHBondContact O-CG2 3.49Å; N150-I168 WeakPolarHBondContact CA-O 3.31Å; N150-I168 PolarHBondContact N-O 3.16Å; E151-I168 HydrophobicContact CB-CG1 4.27Å; E151-I168 PolarHBondContact O-N 2.96Å; V153-I168 HydrophobicContact CB-CD1 4.47Å; V153-I168 HydrophobicContact CG1-CD1 3.88Å; V153-I168 HydrophobicContact CG1-CG1 4.01Å; V153-I168 HydrophobicContact CG2-CD1 3.81Å; V153-I168 HydrophobicContact CG2-CG1 4.29Å; I168-V171 HydrophobicContact CG2-CG2 3.73Å; I168-Y195 HydrophobicContact CD1-CD1 4.06Å; I168-Y195 HydrophobicContact CD1-CG 4.45Å; I168-V197 HydrophobicContact CD1-CG1 3.99Å; I168-V215 HydrophobicContact CD1-CG1 3.92Å
169V91.3Very high79.1Confident62 Ų6261.6 Ų61.638%0.37633%0.326SS..EExtended strand (participates in β ladder)trans-97.8-35.2175.6-176.20000111.6I149 Q167 H196 K198 V207I149-V169 WeakPolarHBondContact CG2-O 3.43Å; Q167-V169 PolarHBondContact O-N 3.49Å; V169-H196 PolarHBondContact N-O 2.99Å; V169-K198 HydrophobicContact CG2-CB 3.66Å; V169-V207 HydrophobicContact CB-CG1 4.38Å; V169-V207 HydrophobicContact CG1-CG2 4.48Å; V169-V207 HydrophobicContact CG2-CG2 4.41Å
170N89.6Confident77.2Confident67 Ų6763.9 Ų63.936%0.35833%0.332SS..EExtended strand (participates in β ladder)trans-156.9163.4177.2-166.513.7000110.8H196N170-H196 HydrophobicContact CB-CB 3.87Å; N170-H196 PolarHBondContact N-O 3.29Å; N170-H196 WeakPolarHBondContact O-CB 3.46Å; N170-H196 PolarHBondContact O-N 3.21Å
171V89.9Confident75Confident5 Ų570.1 Ų70.13%0.0336%0.36CS..EExtended strand (participates in β ladder)trans-135.9130.9173.6-165.20000109.1P142 F144 I149 I168 I193 L194 Y195P142-V171 HydrophobicContact CB-CB 4.48Å; P142-V171 HydrophobicContact CG-CB 3.88Å; P142-V171 HydrophobicContact CG-CG2 3.94Å; F144-V171 HydrophobicContact CD2-CG1 4.28Å; F144-V171 HydrophobicContact CE2-CB 4.29Å; F144-V171 HydrophobicContact CE2-CG1 3.88Å; F144-V171 WeakPolarHBondContact CZ-O 3.42Å; I149-V171 HydrophobicContact CG1-CG2 4.23Å; I168-V171 HydrophobicContact CG2-CG2 3.73Å; V171-I193 HydrophobicContact CG1-CG2 3.55Å; V171-L194 WeakPolarHBondContact CA-O 3.48Å; V171-Y195 HydrophobicContact CB-CD1 4.42Å; V171-Y195 HydrophobicContact CG1-CD1 3.78Å; V171-Y195 HydrophobicContact CG1-CE1 3.66Å; V171-Y195 HydrophobicContact CG1-CG 4.48Å; V171-Y195 HydrophobicContact CG2-CD1 3.81Å; V171-Y195 HydrophobicContact CG2-CE1 4.07Å
172T89.4Confident72.9Confident44 Ų4476.1 Ų76.127%0.2740%0.402SS..EExtended strand (participates in β ladder)trans-134.3137.9-176.755.90000111.3L194 H196T172-L194 PolarHBondContact N-O 3.28Å; T172-L194 PolarHBondContact O-N 3.2Å; T172-H196 WeakPolarHBondContact CG2-NE2 3.43Å; T172-H196 PolarHBondContact OG1-NE2 3.41Å
173K85.9Confident70.4Confident85 Ų8579.3 Ų79.337%0.3744%0.435SS..EExtended strand (participates in β ladder)trans-80.4149.9165.8-58-159.7-170.9-172.90111F144 E191 E192F144-K173 HydrophobicContact CD1-CG 4.42Å; F144-K173 HydrophobicContact CD2-CD 4.37Å; F144-K173 HydrophobicContact CD2-CG 3.59Å; F144-K173 HydrophobicContact CE1-CG 4.44Å; F144-K173 HydrophobicContact CE2-CG 3.61Å; F144-K173 HydrophobicContact CG-CD 4.37Å; F144-K173 HydrophobicContact CG-CG 4.03Å; F144-K173 HydrophobicContact CZ-CG 4.07Å; K173-E191 HydrophobicContact CD-CG 4.46Å; K173-E191 WeakPolarHBondContact CD-OE1 3.46Å; K173-E191 IonicContact NZ-OE1 2.77Å; K173-E191 PolarHBondContact NZ-OE1 2.96Å; K173-E191 IonicContact NZ-OE2 2.73Å; K173-E191 PolarHBondContact NZ-OE2 3.38Å; K173-E192 CarbonylContact C-O 3.58Å
174T77.3Confident68Low52 Ų5288 Ų8832%0.31948%0.481SS..EExtended strand (participates in β ladder)trans-133.5137.8164.3-178.50000110.4E192 L194T174-E192 HydrophobicContact CG2-CB 3.98Å; T174-E192 PolarHBondContact N-O 2.92Å; T174-E192 PolarHBondContact O-N 3.32Å; T174-L194 HydrophobicContact CG2-CD1 3.83Å; T174-L194 HydrophobicContact CG2-CG 4.22Å
175T65.7Low65.7Low107 Ų10790.3 Ų90.366%0.65651%0.509SS*.EExtended strand (participates in β ladder)trans-99103.417649.80000109T177T175-T177 PolarHBondContact O-N 3.35Å
176K54.3Low63.2Low130 Ų13099.6 Ų99.657%0.56555%0.553SS**  trans-74106169.9-80.4172169.6163.70109.2E192K176-E192 WeakPolarHBondContact CE-OE2 3.47Å; K176-E192 IonicContact NZ-OE1 3.51Å; K176-E192 PolarHBondContact NZ-OE1 2.89Å; K176-E192 IonicContact NZ-OE2 3.47Å; K176-E192 PolarHBondContact NZ-OE2 3.41Å
177T42.5Very low60.7Low129 Ų129103.4 Ų103.479%0.79158%0.584SS**PPolyproline II helixtrans-62.1130.3158.533.40000108.7T175 K179T175-T177 PolarHBondContact O-N 3.35Å; T177-K179 PolarHBondContact O-N 3.01Å
178P40.9Very low58.7Low102 Ų102107.4 Ų107.466%0.66260%0.603SS**PPolyproline II helixtrans-58.1139.5171.7-23.434000110.2
179K42.1Very low56.6Low203 Ų203116 Ų11688%0.88364%0.643SS**PPolyproline II helixtrans-73135.9160.3-76.3-178.1177175.60107.8T177 E181T177-K179 PolarHBondContact O-N 3.01Å; K179-E181 PolarHBondContact O-N 3.5Å
180E39Very low55Low199 Ų199120 Ų12093%0.9366%0.656SS**  trans-63.7104.3-178.9-62177.4143.200111.4
181E36.3Very low54Low194 Ų194122 Ų12291%0.90766%0.662SS**  trans-122.8142.8146.3-72.4-160.9161.900108.5K179K179-E181 PolarHBondContact O-N 3.5Å
182S42.2Very low53.6Low129 Ų129124.1 Ų124.190%0.90267%0.672SS**  trans-78.7128-159.555.80000114.4
183G38.4Very low53.6Low67 Ų67123.8 Ų123.869%0.69167%0.669SS**  trans-172.7126.4162.600000111.1G185G183-G185 PolarHBondContact O-N 3.04Å
184D43.4Very low53.8Low189 Ų189121.2 Ų121.2100%1.01166%0.658SS**  trans-69.6103178.5-68.4-56.5000110.7
185G43.2Very low54.5Low63 Ų63118.7 Ų118.765%0.64964%0.643SS**SBendtrans-164.6142.5174.500000109.9G183 A187G183-G185 PolarHBondContact O-N 3.04Å; G185-A187 PolarHBondContact O-N 3.07Å
186E40.4Very low55.7Low201 Ų201114.9 Ų114.994%0.93962%0.618SS**  trans-65118.7-176.2-65178.613400110.5E188E186-E188 PolarHBondContact O-N 2.84Å; E186-E188 VanDerWaalsContact O-N 3.15Å
187A40.7Very low57.5Low81 Ų81108.7 Ų108.767%0.66959%0.591SS**  trans-79.298.6-174.900000111G185 E189G185-A187 PolarHBondContact O-N 3.07Å; A187-E189 PolarHBondContact O-N 3.5Å
188E48.7Very low59.9Low146 Ų146106.7 Ų106.768%0.68257%0.571SS**  trans-58.3117.4168.6-67.8-175.8142.900110.8E186 K190E186-E188 PolarHBondContact O-N 2.84Å; E186-E188 VanDerWaalsContact O-N 3.15Å; E188-K190 PolarHBondContact O-N 3.5Å; E188-K190 WeakPolarHBondContact OE2-CE 3.45Å; E188-K190 IonicContact OE2-NZ 2.58Å; E188-K190 PolarHBondContact OE2-NZ 3.2Å
189E46.8Very low62.2Low181 Ų181102.5 Ų102.585%0.84654%0.542SS*.  trans-6891173.2-66.5-170.2151.600110.8A187 E191A187-E189 PolarHBondContact O-N 3.5Å; E189-E191 PolarHBondContact O-N 2.84Å
190K57.8Low64.3Low146 Ų14696.2 Ų96.264%0.63552%0.516SS*.  trans-78.890.6178-74.3177.1178.51610110.7E188 E192E188-K190 PolarHBondContact O-N 3.5Å; E188-K190 WeakPolarHBondContact OE2-CE 3.45Å; E188-K190 IonicContact OE2-NZ 2.58Å; E188-K190 PolarHBondContact OE2-NZ 3.2Å; K190-E192 PolarHBondContact O-N 3.19Å
191E69Low66.2Low108 Ų10889.9 Ų89.951%0.50549%0.489SS..EExtended strand (participates in β ladder)trans-50.9122.5163.6-66.3-169.6132.900110.2K173 E189K173-E191 HydrophobicContact CD-CG 4.46Å; K173-E191 WeakPolarHBondContact CD-OE1 3.46Å; K173-E191 IonicContact NZ-OE1 2.77Å; K173-E191 PolarHBondContact NZ-OE1 2.96Å; K173-E191 IonicContact NZ-OE2 2.73Å; K173-E191 PolarHBondContact NZ-OE2 3.38Å; E189-E191 PolarHBondContact O-N 2.84Å
192E82.6Confident68.3Low51 Ų5184 Ų8424%0.23846%0.459CS..EExtended strand (participates in β ladder)trans-107.2129.8176.7-169.4175.2-115.300109.4K173 T174 K176 K190 L211K173-E192 CarbonylContact C-O 3.58Å; T174-E192 HydrophobicContact CG2-CB 3.98Å; T174-E192 PolarHBondContact N-O 2.92Å; T174-E192 PolarHBondContact O-N 3.32Å; K176-E192 WeakPolarHBondContact CE-OE2 3.47Å; K176-E192 IonicContact NZ-OE1 3.51Å; K176-E192 PolarHBondContact NZ-OE1 2.89Å; K176-E192 IonicContact NZ-OE2 3.47Å; K176-E192 PolarHBondContact NZ-OE2 3.41Å; K190-E192 PolarHBondContact O-N 3.19Å; E192-L211 VanDerWaalsContact CD-CD2 3.46Å; E192-L211 HydrophobicContact CG-CD2 3.48Å; E192-L211 VanDerWaalsContact CG-CD2 3.48Å
193I87.6Confident69.9Low37 Ų3781.1 Ų81.119%0.1944%0.437CS..EExtended strand (participates in β ladder)trans-101.8120.3-175.7-55.2-178.5000109.3F144 V171 Y195F144-I193 HydrophobicContact CD2-CD1 4.39Å; F144-I193 HydrophobicContact CD2-CG2 4.27Å; V171-I193 HydrophobicContact CG1-CG2 3.55Å; I193-Y195 HydrophobicContact CB-CE2 4.47Å; I193-Y195 HydrophobicContact CG2-CE1 4.42Å; I193-Y195 HydrophobicContact CG2-CE2 3.9Å
194L90.2Very high71.4Confident30 Ų3083.9 Ų83.916%0.15743%0.432CS..EExtended strand (participates in β ladder)trans-103127.9177-66.1169.6000110.2V171 T172 T174 L210 L211V171-L194 WeakPolarHBondContact CA-O 3.48Å; T172-L194 PolarHBondContact N-O 3.28Å; T172-L194 PolarHBondContact O-N 3.2Å; T174-L194 HydrophobicContact CG2-CD1 3.83Å; T174-L194 HydrophobicContact CG2-CG 4.22Å; L194-L210 WeakPolarHBondContact CA-O 2.98Å; L194-L211 HydrophobicContact CD2-CD2 3.75Å; L194-L211 HydrophobicContact CD2-CG 4.29Å
195Y92.3Very high73.1Confident0 Ų079.2 Ų79.20%041%0.407CS..EExtended strand (participates in β ladder)trans-99.1125.5173.6-61.9-87.7000108.8G145 F146 Y147 I168 V171 I193 Q209 L210 A212G145-Y195 VanDerWaalsContact CA-OH 3.31Å; G145-Y195 WeakPolarHBondContact CA-OH 3.38Å; F146-Y195 PolarHBondContact N-OH 2.84Å; Y147-Y195 AromaticContact CD2-CD1 3.89Å; Y147-Y195 HydrophobicContact CD2-CD1 3.89Å; Y147-Y195 AromaticContact CD2-CE1 3.57Å; Y147-Y195 HydrophobicContact CD2-CE1 3.57Å; Y147-Y195 HydrophobicContact CD2-CE2 4.31Å; Y147-Y195 HydrophobicContact CD2-CG 4.39Å; Y147-Y195 AromaticContact CD2-CZ 3.81Å; Y147-Y195 HydrophobicContact CG-CE1 4.19Å; I168-Y195 HydrophobicContact CD1-CD1 4.06Å; I168-Y195 HydrophobicContact CD1-CG 4.45Å; V171-Y195 HydrophobicContact CB-CD1 4.42Å; V171-Y195 HydrophobicContact CG1-CD1 3.78Å; V171-Y195 HydrophobicContact CG1-CE1 3.66Å; V171-Y195 HydrophobicContact CG1-CG 4.48Å; V171-Y195 HydrophobicContact CG2-CD1 3.81Å; V171-Y195 HydrophobicContact CG2-CE1 4.07Å; I193-Y195 HydrophobicContact CB-CE2 4.47Å; I193-Y195 HydrophobicContact CG2-CE1 4.42Å; I193-Y195 HydrophobicContact CG2-CE2 3.9Å; Y195-Q209 WeakPolarHBondContact O-CA 3.34Å; Y195-L210 PolarHBondContact N-O 2.74Å; Y195-L210 PolarHBondContact O-N 3.4Å; Y195-A212 HydrophobicContact CE2-CB 3.84Å
196H92Very high75.2Confident26 Ų2677.8 Ų77.812%0.1239%0.392CS..EExtended strand (participates in β ladder)trans-92.8105.4176.1-62.8-122.1000106.7V169 N170 T172 V207 I208 Q209V169-H196 PolarHBondContact N-O 2.99Å; N170-H196 HydrophobicContact CB-CB 3.87Å; N170-H196 PolarHBondContact N-O 3.29Å; N170-H196 WeakPolarHBondContact O-CB 3.46Å; N170-H196 PolarHBondContact O-N 3.21Å; T172-H196 WeakPolarHBondContact CG2-NE2 3.43Å; T172-H196 PolarHBondContact OG1-NE2 3.41Å; H196-V207 HydrophobicContact CB-CG1 3.73Å; H196-I208 CarbonylContact C-O 3.55Å; H196-I208 WeakPolarHBondContact CA-O 3.38Å; H196-Q209 PolarHBondContact CE1-NE2 2.84Å; H196-Q209 VanDerWaalsContact CE1-NE2 3.27Å
197V92.3Very high77.5Confident0 Ų072 Ų720%037%0.37CS..EExtended strand (participates in β ladder)trans-107.1151.6-173.6-55.50000111.5A155 A166 Q167 I168 V207 I208 L210 V215A155-V197 HydrophobicContact CB-CG2 4.12Å; A166-V197 HydrophobicContact CB-CB 4.37Å; Q167-V197 WeakPolarHBondContact O-CA 3.14Å; I168-V197 HydrophobicContact CD1-CG1 3.99Å; V197-V207 CarbonylContact O-C 3.59Å; V197-V207 WeakPolarHBondContact O-CA 3.23Å; V197-I208 HydrophobicContact CG2-CB 4.28Å; V197-I208 PolarHBondContact N-O 2.68Å; V197-I208 PolarHBondContact O-N 2.88Å; V197-L210 HydrophobicContact CG2-CD1 3.74Å; V197-L210 HydrophobicContact CG2-CG 4.1Å; V197-V215 HydrophobicContact CG1-CG2 4.07Å
198K91.6Very high79.9Confident88 Ų8870.7 Ų70.738%0.38335%0.351SS..EExtended strand (participates in β ladder)trans-123.6127.6166.8175.4177.4179-169.80109.1A166 Q167 V169 G206A166-K198 CarbonylContact C-O 3.44Å; A166-K198 WeakPolarHBondContact CA-O 3.36Å; A166-K198 WeakPolarHBondContact CB-O 3.49Å; Q167-K198 PolarHBondContact N-O 3.46Å; Q167-K198 PolarHBondContact O-N 2.66Å; V169-K198 HydrophobicContact CG2-CB 3.66Å; K198-G206 WeakPolarHBondContact CG-O 3.49Å
199Y90.3Very high81.9Confident13 Ų1369.2 Ų69.25%0.05135%0.345CS..EExtended strand (participates in β ladder)trans-68.5141.3172.5-65.4-60000110.9A155 F164 E165 A166 I208A155-Y199 HydrophobicContact CB-CD1 4.49Å; A155-Y199 HydrophobicContact CB-CE1 3.73Å; F164-Y199 HydrophobicContact CB-CD1 3.65Å; F164-Y199 HydrophobicContact CB-CE1 3.65Å; F164-Y199 HydrophobicContact CD2-CE1 4.42Å; F164-Y199 HydrophobicContact CG-CE1 4.39Å; E165-Y199 WeakPolarHBondContact O-CA 3.44Å; A166-Y199 HydrophobicContact CB-CD1 3.84Å; A166-Y199 HydrophobicContact CB-CE1 4.33Å; Y199-I208 HydrophobicContact CD2-CD1 3.97Å; Y199-I208 HydrophobicContact CE2-CD1 3.49Å; Y199-I208 VanDerWaalsContact CE2-CD1 3.49Å
200E85.6Confident84Confident72 Ų7260.9 Ų60.934%0.33631%0.306SS..SBendtrans-67.4-42.6-179.6-71.8-179.8-163.200111.9E165 R218E165-E200 HydrophobicContact CB-CB 4.31Å; E165-E200 HydrophobicContact CB-CG 4.29Å; E165-E200 PolarHBondContact O-N 3.21Å; E200-R218 IonicContact OE1-CZ 3.93Å; E200-R218 IonicContact OE1-NH1 2.83Å; E200-R218 PolarHBondContact OE1-NH1 2.86Å; E200-R218 IonicContact OE1-NH2 2.74Å; E200-R218 PolarHBondContact OE1-NH2 2.97Å; E200-R218 IonicContact OE2-NH1 2.89Å
201D78.3Confident85.6Confident66 Ų6656 Ų5635%0.35329%0.287SS..SBendtrans-93-12.7-173.3-864.9000115.1P203 K311D201-P203 WeakPolarHBondContact O-CD 3.41Å; D201-K311 WeakPolarHBondContact OD1-CE 3.31Å; D201-K311 IonicContact OD1-NZ 3.57Å; D201-K311 PolarHBondContact OD1-NZ 2.95Å; D201-K311 WeakPolarHBondContact OD2-CE 3.36Å; D201-K311 IonicContact OD2-NZ 3.58Å; D201-K311 PolarHBondContact OD2-NZ 2.8Å
202Y80.3Confident86.4Confident71 Ų7152.7 Ų52.728%0.27828%0.277SS..  trans-124.657.8-174.9-52.9-80.8000111.3F164 E204 N205F164-Y202 AromaticContact CD1-CE2 3.75Å; F164-Y202 HydrophobicContact CD1-CE2 3.75Å; F164-Y202 AromaticContact CE1-CE2 3.9Å; F164-Y202 HydrophobicContact CE1-CE2 3.9Å; Y202-E204 VanDerWaalsContact C-OE2 3.31Å; Y202-E204 WeakPolarHBondContact CA-OE1 3.47Å; Y202-E204 WeakPolarHBondContact CB-OE1 3.31Å; Y202-E204 PolarHBondContact O-N 2.84Å; Y202-N205 WeakPolarHBondContact CB-ND2 3.45Å; Y202-N205 WeakPolarHBondContact O-CB 3.36Å; Y202-N205 PolarHBondContact O-N 2.78Å; Y202-N205 VanDerWaalsContact O-N 3.12Å
203P76Confident86.7Confident67 Ų6754.9 Ų54.944%0.43529%0.286SS..G310 helixtrans-62.3-22.3-176.728.2-37.3000113.7D201 N205 G206D201-P203 WeakPolarHBondContact O-CD 3.41Å; P203-N205 VanDerWaalsContact C-N 3.26Å; P203-N205 PolarHBondContact O-N 3.19Å; P203-G206 PolarHBondContact O-N 2.92Å; P203-G206 VanDerWaalsContact O-N 3.11Å
204E70.8Confident86.9Confident125 Ų12553.3 Ų53.358%0.58428%0.278SS*.G310 helixtrans-64.5-25.2174.566.9-72.7167.400113.6Y202 G206Y202-E204 VanDerWaalsContact C-OE2 3.31Å; Y202-E204 WeakPolarHBondContact CA-OE1 3.47Å; Y202-E204 WeakPolarHBondContact CB-OE1 3.31Å; Y202-E204 PolarHBondContact O-N 2.84Å; E204-G206 PolarHBondContact O-N 2.85Å
205N78.5Confident86.9Confident91 Ų9152 Ų5249%0.48727%0.271SS..G310 helixtrans-73.1-5.3172.7-70.9-33.7000113.1Y202 P203 V207 I208Y202-N205 WeakPolarHBondContact CB-ND2 3.45Å; Y202-N205 WeakPolarHBondContact O-CB 3.36Å; Y202-N205 PolarHBondContact O-N 2.78Å; Y202-N205 VanDerWaalsContact O-N 3.12Å; P203-N205 VanDerWaalsContact C-N 3.26Å; P203-N205 PolarHBondContact O-N 3.19Å; N205-V207 PolarHBondContact O-N 2.97Å; N205-I208 HydrophobicContact CB-CD1 4.25Å
206G86.7Confident86.9Confident33 Ų3352.6 Ų52.634%0.3427%0.273SS..  trans70.4-123173.800000113.5K198 P203 E204K198-G206 WeakPolarHBondContact CG-O 3.49Å; P203-G206 PolarHBondContact O-N 2.92Å; P203-G206 VanDerWaalsContact O-N 3.11Å; E204-G206 PolarHBondContact O-N 2.85Å
207V89Confident86.9Confident79 Ų7951.8 Ų51.848%0.47927%0.27SS..  trans-129.3123.5-179.8-1790000108.9V169 H196 V197 N205V169-V207 HydrophobicContact CB-CG1 4.38Å; V169-V207 HydrophobicContact CG1-CG2 4.48Å; V169-V207 HydrophobicContact CG2-CG2 4.41Å; H196-V207 HydrophobicContact CB-CG1 3.73Å; V197-V207 CarbonylContact O-C 3.59Å; V197-V207 WeakPolarHBondContact O-CA 3.23Å; N205-V207 PolarHBondContact O-N 2.97Å
208I91.1Very high86.9Confident55 Ų5552.2 Ų52.228%0.28227%0.272SS..EExtended strand (participates in β ladder)trans-112.2143.3-172.5-60.1168.3000109.4H196 V197 Y199 N205 L210H196-I208 CarbonylContact C-O 3.55Å; H196-I208 WeakPolarHBondContact CA-O 3.38Å; V197-I208 HydrophobicContact CG2-CB 4.28Å; V197-I208 PolarHBondContact N-O 2.68Å; V197-I208 PolarHBondContact O-N 2.88Å; Y199-I208 HydrophobicContact CD2-CD1 3.97Å; Y199-I208 HydrophobicContact CE2-CD1 3.49Å; Y199-I208 VanDerWaalsContact CE2-CD1 3.49Å; N205-I208 HydrophobicContact CB-CD1 4.25Å; I208-L210 HydrophobicContact CG2-CD2 4.25Å; I208-L210 HydrophobicContact CG2-CG 4.33Å
209Q91.6Very high86.8Confident115 Ų11548.3 Ų48.354%0.53726%0.256SS..EExtended strand (participates in β ladder)trans-96122.1176.4-65.7175.317.600110.4Y195 H196Y195-Q209 WeakPolarHBondContact O-CA 3.34Å; H196-Q209 PolarHBondContact CE1-NE2 2.84Å; H196-Q209 VanDerWaalsContact CE1-NE2 3.27Å
210L91Very high86.6Confident5 Ų553.1 Ų53.13%0.02627%0.274CS..EExtended strand (participates in β ladder)trans-125.2156.6179-67.5-177.2000111.7A155 L158 L194 Y195 V197 I208 D214 V215A155-L210 HydrophobicContact CB-CD1 3.68Å; L158-L210 HydrophobicContact CD1-CD2 4.11Å; L158-L210 HydrophobicContact CD2-CD2 4.47Å; L158-L210 HydrophobicContact CG-CD2 4.16Å; L194-L210 WeakPolarHBondContact CA-O 2.98Å; Y195-L210 PolarHBondContact N-O 2.74Å; Y195-L210 PolarHBondContact O-N 3.4Å; V197-L210 HydrophobicContact CG2-CD1 3.74Å; V197-L210 HydrophobicContact CG2-CG 4.1Å; I208-L210 HydrophobicContact CG2-CD2 4.25Å; I208-L210 HydrophobicContact CG2-CG 4.33Å; L210-D214 HydrophobicContact CB-CB 4.28Å; L210-D214 HydrophobicContact CD1-CB 4.41Å; L210-D214 HydrophobicContact CD2-CB 4.4Å; L210-V215 HydrophobicContact CB-CG2 3.72Å; L210-V215 HydrophobicContact CD1-CG2 3.98Å
211L90.8Very high86.7Confident45 Ų4552.6 Ų52.624%0.23628%0.276CS..EExtended strand (participates in β ladder)trans-86.6161.1175.7-70.5165.6000111.2E192 L194 K213 D214E192-L211 VanDerWaalsContact CD-CD2 3.46Å; E192-L211 HydrophobicContact CG-CD2 3.48Å; E192-L211 VanDerWaalsContact CG-CD2 3.48Å; L194-L211 HydrophobicContact CD2-CD2 3.75Å; L194-L211 HydrophobicContact CD2-CG 4.29Å; L211-K213 HydrophobicContact CB-CD 4.49Å; L211-K213 HydrophobicContact CB-CG 4.1Å; L211-K213 PolarHBondContact O-N 2.79Å; L211-D214 PolarHBondContact O-N 2.72Å
212A86.8Confident87.3Confident38 Ų3851.6 Ų51.631%0.31427%0.272SS..THydrogen-bonded Turntrans-53.9-24.6179.500000115Y195Y195-A212 HydrophobicContact CE2-CB 3.84Å
213K87.7Confident87.8Confident97 Ų9750.5 Ų50.542%0.42227%0.268SS..THydrogen-bonded Turntrans-79.4-17.4178.570.1-174-179.7169.80114.1R156 L211 E274R156-K213 PolarHBondContact NH2-O 2.74Å; L211-K213 HydrophobicContact CB-CD 4.49Å; L211-K213 HydrophobicContact CB-CG 4.1Å; L211-K213 PolarHBondContact O-N 2.79Å; K213-E274 WeakPolarHBondContact CE-OE1 3.35Å; K213-E274 IonicContact NZ-OE1 2.65Å; K213-E274 PolarHBondContact NZ-OE1 3.01Å; K213-E274 IonicContact NZ-OE2 2.78Å; K213-E274 PolarHBondContact NZ-OE2 3.41Å
214D91.3Very high88.6Confident3 Ų352.5 Ų52.52%0.01627%0.272CS..SBendtrans-108.16.5-174.8-58-61.7000111.9A155 R156 L158 W163 L210 L211A155-D214 CarbonylContact C-O 3.5Å; A155-D214 WeakPolarHBondContact CA-O 3.48Å; R156-D214 HydrophobicContact CB-CB 4.19Å; R156-D214 IonicContact CZ-OD1 2.69Å; R156-D214 PolarHBondContact N-O 2.85Å; R156-D214 IonicContact NE-OD1 3.78Å; R156-D214 IonicContact NH1-OD1 3.84Å; R156-D214 PolarHBondContact NH1-OD1 3.19Å; L158-D214 HydrophobicContact CD2-CB 4.39Å; W163-D214 WeakPolarHBondContact CZ3-O 3.47Å; L210-D214 HydrophobicContact CB-CB 4.28Å; L210-D214 HydrophobicContact CD1-CB 4.41Å; L210-D214 HydrophobicContact CD2-CB 4.4Å; L211-D214 PolarHBondContact O-N 2.72Å
215V91.8Very high89.3Confident2 Ų247.9 Ų47.91%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-133.8129179-1770000108.6Y147 V153 D154 I168 V197 L210Y147-V215 HydrophobicContact CD2-CB 4.33Å; Y147-V215 HydrophobicContact CD2-CG1 3.7Å; Y147-V215 HydrophobicContact CE2-CB 3.89Å; Y147-V215 HydrophobicContact CE2-CG1 3.63Å; Y147-V215 VanDerWaalsContact CE2-O 3.31Å; Y147-V215 WeakPolarHBondContact CE2-O 3.21Å; Y147-V215 PolarHBondContact OH-O 3.45Å; V153-V215 HydrophobicContact CB-CG1 3.79Å; V153-V215 HydrophobicContact CG1-CG1 3.81Å; V153-V215 HydrophobicContact CG2-CG1 3.9Å; D154-V215 WeakPolarHBondContact O-CA 3.3Å; I168-V215 HydrophobicContact CD1-CG1 3.92Å; V197-V215 HydrophobicContact CG1-CG2 4.07Å; L210-V215 HydrophobicContact CB-CG2 3.72Å; L210-V215 HydrophobicContact CD1-CG2 3.98Å
216R92.6Very high89.9Confident13 Ų1350.4 Ų50.45%0.04926%0.257CS..EExtended strand (participates in β ladder)trans-137.6161.1177.568.5-177.2177-156.52.1111.9Y147 V153 D154 W163 M235 D251Y147-R216 WeakPolarHBondContact OH-CA 3.34Å; V153-R216 CarbonylContact C-O 3.54Å; V153-R216 VanDerWaalsContact CA-O 3.23Å; V153-R216 WeakPolarHBondContact CA-O 3.49Å; V153-R216 WeakPolarHBondContact CB-O 3.45Å; D154-R216 HydrophobicContact CB-CG 3.99Å; D154-R216 PolarHBondContact N-O 3Å; D154-R216 PolarHBondContact O-N 3.45Å; W163-R216 VanDerWaalsContact CD1-NH2 3.3Å; W163-R216 VanDerWaalsContact CE2-NH1 3.27Å; W163-R216 HydrophobicContact CE3-CG 4.12Å; W163-R216 HydrophobicContact CH2-CB 4.37Å; W163-R216 HydrophobicContact CH2-CG 3.97Å; W163-R216 HydrophobicContact CZ3-CB 4.29Å; W163-R216 HydrophobicContact CZ3-CG 3.68Å; R216-M235 PolarHBondContact NH2-SD 2.9Å; R216-D251 IonicContact CZ-OD1 3.21Å; R216-D251 VanDerWaalsContact CZ-OD1 3.25Å; R216-D251 IonicContact CZ-OD2 2.7Å; R216-D251 IonicContact NH1-OD1 2.84Å; R216-D251 PolarHBondContact NH1-OD1 2.92Å; R216-D251 IonicContact NH1-OD2 3.89Å; R216-D251 PolarHBondContact NH1-OD2 2.84Å; R216-D251 IonicContact NH2-OD1 3.79Å; R216-D251 PolarHBondContact NH2-OD1 2.89Å; R216-D251 IonicContact NH2-OD2 2.71Å
217P91.4Very high90.1Very high9 Ų952.9 Ų52.96%0.05826%0.26CS..EExtended strand (participates in β ladder)trans-55.4142.3174.1-21.733000111.3Y147 A219 E294Y147-P217 HydrophobicContact CE1-CG 4.05Å; P217-A219 PolarHBondContact O-N 2.91Å; P217-A219 VanDerWaalsContact O-N 3.17Å; P217-E294 HydrophobicContact CB-CB 4.11Å; P217-E294 HydrophobicContact CG-CB 4.49Å
218R91.1Very high90.4Very high10 Ų1049.1 Ų49.14%0.03824%0.237CC..PPolyproline II helixtrans-51.9121.5179.6177.96357.276.415.1111L152 V153 D154 A166 E200 R220 P309L152-R218 HydrophobicContact CB-CB 4.34Å; L152-R218 WeakPolarHBondContact O-CB 3.38Å; L152-R218 PolarHBondContact O-N 2.87Å; V153-R218 PolarHBondContact O-NE 2.82Å; V153-R218 PolarHBondContact O-NH2 2.88Å; D154-R218 VanDerWaalsContact OD1-CD 3.27Å; D154-R218 WeakPolarHBondContact OD1-CD 3.4Å; D154-R218 IonicContact OD1-NE 2.88Å; D154-R218 PolarHBondContact OD1-NE 2.85Å; A166-R218 VanDerWaalsContact N-NH2 3.13Å; A166-R218 PolarHBondContact O-NH2 2.85Å; E200-R218 IonicContact OE1-CZ 3.93Å; E200-R218 IonicContact OE1-NH1 2.83Å; E200-R218 PolarHBondContact OE1-NH1 2.86Å; E200-R218 IonicContact OE1-NH2 2.74Å; E200-R218 PolarHBondContact OE1-NH2 2.97Å; E200-R218 IonicContact OE2-NH1 2.89Å; R218-R220 PolarHBondContact O-N 2.87Å; R218-P309 HydrophobicContact CG-CB 3.73Å; R218-P309 HydrophobicContact CG-CG 3.93Å
219A89.8Confident90.5Very high5 Ų552.6 Ų52.64%0.04125%0.252CS..PPolyproline II helixtrans-60.4126.6177.600000110.6D154 P217 M235 Y291D154-A219 VanDerWaalsContact OD2-CB 3.3Å; D154-A219 WeakPolarHBondContact OD2-CB 3.48Å; D154-A219 PolarHBondContact OD2-N 2.97Å; P217-A219 PolarHBondContact O-N 2.91Å; P217-A219 VanDerWaalsContact O-N 3.17Å; A219-M235 HydrophobicContact CB-CE 3.58Å; A219-Y291 HydrophobicContact CB-CD1 4.02Å; A219-Y291 HydrophobicContact CB-CG 4.4Å
220R86.3Confident90.6Very high114 Ų11451 Ų5143%0.4325%0.252SS..  trans-135.6-28.8-169.354.3-169.1167.6-160.4-3.7113.1R218 E294 S298R218-R220 PolarHBondContact O-N 2.87Å; R220-E294 HydrophobicContact CG-CG 4.25Å; R220-E294 WeakPolarHBondContact CG-OE1 3.47Å; R220-S298 PolarHBondContact NH2-O 3.46Å; R220-S298 PolarHBondContact NH2-OG 2.71Å
221T88.3Confident90.7Very high61 Ų6153.3 Ų53.337%0.37428%0.276SS..PPolyproline II helixtrans-89.2118.6178.1-43.60000111.1Y291 K292 E294T221-Y291 WeakPolarHBondContact O-CA 3.34Å; T221-K292 HydrophobicContact CG2-CB 4.47Å; T221-K292 HydrophobicContact CG2-CD 4.47Å; T221-K292 PolarHBondContact O-N 2.93Å; T221-E294 VanDerWaalsContact CB-OE1 3.29Å; T221-E294 WeakPolarHBondContact CB-OE1 3.45Å; T221-E294 PolarHBondContact N-OE1 3.41Å; T221-E294 PolarHBondContact OG1-OE1 2.81Å
222V90.1Very high90.9Very high46 Ų4653.3 Ų53.328%0.27928%0.276SS..BIsolated β-bridgetrans-94.8124.7171.3179.40000109.8I290 Y291V222-I290 CarbonylContact C-O 3.51Å; V222-I290 WeakPolarHBondContact CA-O 3.47Å; V222-Y291 HydrophobicContact CG2-CD1 3.83Å; V222-Y291 HydrophobicContact CG2-CE1 3.45Å; V222-Y291 VanDerWaalsContact CG2-CE1 3.45Å; V222-Y291 HydrophobicContact CG2-CE2 4.19Å; V222-Y291 HydrophobicContact CG2-CG 4.35Å
223Y91.4Very high91.3Very high48 Ų4855.1 Ų55.119%0.18828%0.283CS..PPolyproline II helixtrans-72.1129.7176.9-80.7-58.2000111.7Q227 L228 M232 I234 I290 K292Y223-Q227 HydrophobicContact CD1-CB 3.83Å; Y223-L228 HydrophobicContact CD2-CD2 4Å; Y223-L228 HydrophobicContact CG-CD2 3.93Å; Y223-M232 HydrophobicContact CD1-CE 4.5Å; Y223-M232 HydrophobicContact CD2-CE 4.35Å; Y223-M232 HydrophobicContact CE1-CE 3.93Å; Y223-M232 HydrophobicContact CE2-CE 3.74Å; Y223-I234 HydrophobicContact CD2-CG2 3.93Å; Y223-I234 HydrophobicContact CE2-CG2 3.89Å; Y223-I290 PolarHBondContact N-O 3.01Å; Y223-K292 HydrophobicContact CD2-CB 4.22Å; Y223-K292 HydrophobicContact CE2-CB 3.7Å; Y223-K292 HydrophobicContact CE2-CG 4.12Å
224Q91.7Very high91.6Very high109 Ų10950.5 Ų50.551%0.50926%0.263SS..PPolyproline II helixtrans-73.6151.7169.4-60.6-54.5-50.700110.9H226 Q227Q224-H226 PolarHBondContact O-N 2.74Å; Q224-Q227 HydrophobicContact CB-CG 4.29Å; Q224-Q227 WeakPolarHBondContact O-CB 3.35Å; Q224-Q227 PolarHBondContact O-N 3.23Å
225W87.4Confident91.8Very high28 Ų2850.3 Ų50.311%0.10626%0.262CS..G310 helixtrans-51.8-33.1-176.2176.7-97.3000114.3Q227 K257 E259 R264 I266 I287W225-Q227 VanDerWaalsContact C-N 3.33Å; W225-K257 HydrophobicContact CH2-CG 4.01Å; W225-K257 HydrophobicContact CZ2-CD 4.39Å; W225-K257 HydrophobicContact CZ2-CG 3.9Å; W225-K257 WeakPolarHBondContact O-CE 3.28Å; W225-K257 PolarHBondContact O-NZ 3.06Å; W225-E259 HydrophobicContact CZ2-CB 4.14Å; W225-E259 VanDerWaalsContact NE1-CD 3.28Å; W225-E259 PolarHBondContact NE1-OE2 3.37Å; W225-R264 HydrophobicContact CD2-CG 4.29Å; W225-R264 HydrophobicContact CE3-CB 4.39Å; W225-R264 HydrophobicContact CH2-CB 3.62Å; W225-R264 HydrophobicContact CH2-CG 4.02Å; W225-R264 HydrophobicContact CZ2-CB 3.86Å; W225-R264 HydrophobicContact CZ2-CG 3.71Å; W225-R264 HydrophobicContact CZ3-CB 3.88Å; W225-R264 HydrophobicContact CZ3-CG 4.4Å; W225-I266 HydrophobicContact CE3-CD1 4.08Å; W225-I266 HydrophobicContact CH2-CD1 4.16Å; W225-I266 HydrophobicContact CH2-CG1 3.86Å; W225-I266 HydrophobicContact CZ3-CD1 3.47Å; W225-I266 VanDerWaalsContact CZ3-CD1 3.47Å; W225-I266 HydrophobicContact CZ3-CG1 3.64Å; W225-I287 HydrophobicContact CE3-CD1 4.2Å; W225-I287 HydrophobicContact CZ3-CB 4.3Å; W225-I287 HydrophobicContact CZ3-CD1 3.95Å; W225-I287 HydrophobicContact CZ3-CG2 4.43Å
226H90.7Very high92Very high143 Ų14350.2 Ų50.266%0.66226%0.261SS*.G310 helixtrans-77.1-13.6178.765.581.8000114.3Q224Q224-H226 PolarHBondContact O-N 2.74Å
227Q91.4Very high92.1Very high85 Ų8549.7 Ų49.740%0.39726%0.26SS..G310 helixtrans-91.6-7179.2-57177.2-6700113.3Y223 Q224 W225Y223-Q227 HydrophobicContact CD1-CB 3.83Å; Q224-Q227 HydrophobicContact CB-CG 4.29Å; Q224-Q227 WeakPolarHBondContact O-CB 3.35Å; Q224-Q227 PolarHBondContact O-N 3.23Å; W225-Q227 VanDerWaalsContact C-N 3.33Å
228L93.6Very high92.1Very high1 Ų150.2 Ų50.21%0.00526%0.26CS..  trans-92.5124.8-174.8-63.6172.5000111.3Y223 I234 I254 K257 I266 I290Y223-L228 HydrophobicContact CD2-CD2 4Å; Y223-L228 HydrophobicContact CG-CD2 3.93Å; L228-I234 HydrophobicContact CD2-CG2 4.29Å; L228-I254 HydrophobicContact CB-CD1 4.03Å; L228-I254 HydrophobicContact CD2-CD1 4.04Å; L228-K257 WeakPolarHBondContact O-CD 3.41Å; L228-K257 WeakPolarHBondContact O-CE 3.19Å; L228-K257 PolarHBondContact O-NZ 2.97Å; L228-I266 HydrophobicContact CD1-CD1 3.64Å; L228-I290 HydrophobicContact CD1-CB 4.39Å; L228-I290 HydrophobicContact CD1-CD1 3.65Å; L228-I290 HydrophobicContact CD1-CG2 4.36Å; L228-I290 HydrophobicContact CD2-CG2 3.69Å
229E93.1Very high92Very high127 Ų12750.7 Ų50.759%0.59326%0.264SS*.  trans-134.2147.9-177.4-59.4-165.7155.800111.7G231 M232E229-G231 PolarHBondContact O-N 3.25Å; E229-M232 HydrophobicContact CB-CG 4.31Å; E229-M232 HydrophobicContact CB-SD 4.03Å; E229-M232 PolarHBondContact N-SD 2.63Å; E229-M232 WeakPolarHBondContact O-CB 3.38Å; E229-M232 VanDerWaalsContact O-CG 3.31Å; E229-M232 WeakPolarHBondContact O-CG 3.23Å; E229-M232 PolarHBondContact O-N 2.81Å
230P94.8Very high91.8Very high83 Ų8352.7 Ų52.754%0.53928%0.276SS..THydrogen-bonded Turntrans-56.6138.7173.9-23.634.9000112.4I254P230-I254 CarbonylContact C-O 3.51Å; P230-I254 VanDerWaalsContact CA-O 3.29Å; P230-I254 WeakPolarHBondContact CA-O 3.46Å
231G92.6Very high91.7Very high52 Ų5254.7 Ų54.754%0.53630%0.295SS..THydrogen-bonded Turntrans91.2-13-173.400000114.7E229 I254E229-G231 PolarHBondContact O-N 3.25Å; G231-I254 PolarHBondContact N-O 3.3Å
232M94.9Very high91.5Very high45 Ų4555.1 Ų55.122%0.22230%0.296CS..  trans-68.4136.3172.7-68.9179.372.700111.6Y223 E229 I234 E253 I254Y223-M232 HydrophobicContact CD1-CE 4.5Å; Y223-M232 HydrophobicContact CD2-CE 4.35Å; Y223-M232 HydrophobicContact CE1-CE 3.93Å; Y223-M232 HydrophobicContact CE2-CE 3.74Å; E229-M232 HydrophobicContact CB-CG 4.31Å; E229-M232 HydrophobicContact CB-SD 4.03Å; E229-M232 PolarHBondContact N-SD 2.63Å; E229-M232 WeakPolarHBondContact O-CB 3.38Å; E229-M232 VanDerWaalsContact O-CG 3.31Å; E229-M232 WeakPolarHBondContact O-CG 3.23Å; E229-M232 PolarHBondContact O-N 2.81Å; M232-I234 HydrophobicContact CB-CG2 4.32Å; M232-E253 WeakPolarHBondContact O-CA 3.34Å; M232-I254 HydrophobicContact CB-CD1 4.15Å; M232-I254 HydrophobicContact CB-CG1 4.46Å; M232-I254 PolarHBondContact O-N 3.09Å
233V94.8Very high91.4Very high76 Ų7655.6 Ų55.646%0.46130%0.299SS..EExtended strand (participates in β ladder)trans-92.6127.6166.1-167.40000108.8A252 I293V233-A252 WeakPolarHBondContact CA-O 3.47Å; V233-I293 HydrophobicContact CG1-CD1 3.8Å
234I95.2Very high91Very high0 Ų060.9 Ų60.90%032%0.323CS..EExtended strand (participates in β ladder)trans-139.8159.1-170.449.5165.3000109.9Y223 L228 M232 V236 D251 A252 I254 I290Y223-I234 HydrophobicContact CD2-CG2 3.93Å; Y223-I234 HydrophobicContact CE2-CG2 3.89Å; L228-I234 HydrophobicContact CD2-CG2 4.29Å; M232-I234 HydrophobicContact CB-CG2 4.32Å; I234-V236 HydrophobicContact CD1-CG1 3.43Å; I234-V236 VanDerWaalsContact CD1-CG1 3.43Å; I234-V236 HydrophobicContact CG1-CG1 3.88Å; I234-D251 CarbonylContact O-C 3.59Å; I234-D251 WeakPolarHBondContact O-CA 3.26Å; I234-A252 VanDerWaalsContact CG1-O 3.24Å; I234-A252 WeakPolarHBondContact CG1-O 3.49Å; I234-A252 PolarHBondContact N-O 2.91Å; I234-A252 PolarHBondContact O-N 3.49Å; I234-I254 HydrophobicContact CD1-CD1 3.73Å; I234-I254 HydrophobicContact CD1-CG1 3.48Å; I234-I254 VanDerWaalsContact CD1-CG1 3.48Å; I234-I254 HydrophobicContact CG1-CD1 4.41Å; I234-I254 HydrophobicContact CG1-CG1 3.97Å; I234-I254 HydrophobicContact CG2-CD1 4.48Å; I234-I290 HydrophobicContact CB-CG2 3.91Å; I234-I290 HydrophobicContact CD1-CD1 4.47Å; I234-I290 HydrophobicContact CD1-CG2 3.5Å; I234-I290 VanDerWaalsContact CD1-CG2 3.5Å; I234-I290 HydrophobicContact CG1-CG2 4.26Å; I234-I290 HydrophobicContact CG2-CG2 4.08Å
235M95.3Very high90.7Very high0 Ų058.4 Ų58.40%031%0.312CS..EExtended strand (participates in β ladder)trans-97.4129.9168.7-172.7-176.772.400110W163 R216 A219 W249 Y250 Y291 I293W163-M235 HydrophobicContact CB-SD 4.14Å; R216-M235 PolarHBondContact NH2-SD 2.9Å; A219-M235 HydrophobicContact CB-CE 3.58Å; M235-W249 HydrophobicContact CE-CB 4.36Å; M235-W249 HydrophobicContact CE-CD2 4.32Å; M235-W249 HydrophobicContact CE-CE3 4.1Å; M235-W249 HydrophobicContact CE-CG 4.4Å; M235-W249 HydrophobicContact CG-CB 4.03Å; M235-W249 HydrophobicContact CG-CE3 4.42Å; M235-W249 HydrophobicContact SD-CB 3.83Å; M235-W249 HydrophobicContact SD-CG 4.48Å; M235-Y250 CarbonylContact C-O 3.5Å; M235-Y250 WeakPolarHBondContact CA-O 3.31Å; M235-Y291 HydrophobicContact CE-CD2 4.09Å; M235-Y291 HydrophobicContact CE-CG 3.89Å; M235-Y291 PolarHBondContact N-O 3.18Å; M235-Y291 PolarHBondContact O-N 2.9Å; M235-I293 HydrophobicContact CB-CG1 4.31Å
236V94.9Very high90.7Very high0 Ų057.8 Ų57.80%031%0.309CS..EExtended strand (participates in β ladder)trans-133.5150.3-173.6-60.30000112I234 W249 Y250 A252 I270 I284 I290I234-V236 HydrophobicContact CD1-CG1 3.43Å; I234-V236 VanDerWaalsContact CD1-CG1 3.43Å; I234-V236 HydrophobicContact CG1-CG1 3.88Å; V236-W249 WeakPolarHBondContact O-CA 3.47Å; V236-Y250 PolarHBondContact N-O 3.04Å; V236-Y250 PolarHBondContact O-N 3.11Å; V236-A252 HydrophobicContact CG1-CB 4.41Å; V236-A252 HydrophobicContact CG2-CB 3.63Å; V236-I270 HydrophobicContact CG2-CD1 3.89Å; V236-I284 HydrophobicContact CB-CD1 4.27Å; V236-I284 HydrophobicContact CB-CG2 4.41Å; V236-I284 HydrophobicContact CG1-CG2 4.48Å; V236-I284 HydrophobicContact CG2-CD1 3.85Å; V236-I290 HydrophobicContact CG1-CG1 4.23Å; V236-I290 HydrophobicContact CG1-CG2 4.36Å
237N94.4Very high90.6Very high2 Ų251 Ų511%0.01128%0.278CS..EExtended strand (participates in β ladder)trans-80126.7166-164.4-84000110.1R246 G247 Y248 W249 F286N237-R246 WeakPolarHBondContact OD1-CG 3.36Å; N237-G247 PolarHBondContact ND2-O 3.23Å; N237-G247 PolarHBondContact OD1-N 3.18Å; N237-Y248 WeakPolarHBondContact CA-O 3.49Å; N237-W249 HydrophobicContact CB-CD2 4.43Å; N237-W249 HydrophobicContact CB-CE3 4.06Å; N237-W249 HydrophobicContact CB-CH2 3.73Å; N237-W249 HydrophobicContact CB-CZ2 4.11Å; N237-W249 HydrophobicContact CB-CZ3 3.71Å; N237-F286 HydrophobicContact CB-CB 4.4Å; N237-F286 HydrophobicContact CB-CD2 4.12Å; N237-F286 HydrophobicContact CB-CG 4.41Å
238Y92.6Very high90.6Very high20 Ų2050.4 Ų50.48%0.07827%0.272CS..EExtended strand (participates in β ladder)trans-146.8154.5175.9-171.4-103.8000111.2P240 P243 G247 Y248 Y250 I270 L279 C282 I284Y238-P240 HydrophobicContact CD1-CG 4.37Å; Y238-P243 HydrophobicContact CE2-CB 4Å; Y238-P243 WeakPolarHBondContact OH-CB 3.34Å; Y238-P243 WeakPolarHBondContact OH-CG 3.48Å; Y238-G247 CarbonylContact O-C 3.49Å; Y238-G247 WeakPolarHBondContact O-CA 3.39Å; Y238-Y248 PolarHBondContact N-O 2.87Å; Y238-Y248 PolarHBondContact O-N 3.29Å; Y238-Y250 WeakPolarHBondContact O-CE2 3.34Å; Y238-I270 HydrophobicContact CD1-CD1 4.21Å; Y238-I270 HydrophobicContact CD1-CG1 3.83Å; Y238-I270 HydrophobicContact CD2-CD1 4.29Å; Y238-I270 HydrophobicContact CE1-CG1 4.14Å; Y238-I270 HydrophobicContact CG-CD1 3.9Å; Y238-I270 HydrophobicContact CG-CG1 4.04Å; Y238-L279 HydrophobicContact CE1-CD1 3.98Å; Y238-C282 HydrophobicContact CD2-CB 4.42Å; Y238-C282 HydrophobicContact CE1-CB 4.47Å; Y238-C282 HydrophobicContact CE2-CB 3.75Å; Y238-C282 PolarHBondContact OH-SG 3.32Å; Y238-I284 HydrophobicContact CD2-CD1 4.28Å
239N89.8Confident90.6Very high20 Ų2050.4 Ų50.411%0.10727%0.272CS..  trans-124.6110.7176.5-173.5-37.3000108.6D241 D242 P243 R246N239-D241 VanDerWaalsContact C-N 3.3Å; N239-D241 PolarHBondContact O-N 3.48Å; N239-D241 PolarHBondContact OD1-N 2.98Å; N239-D242 WeakPolarHBondContact CB-O 3.43Å; N239-D242 CarbonylContact O-C 3.49Å; N239-D242 PolarHBondContact OD1-N 2.68Å; N239-P243 WeakPolarHBondContact O-CA 3.37Å; N239-R246 PolarHBondContact ND2-O 3.33Å; N239-R246 VanDerWaalsContact ND2-O 3.07Å
240P85.4Confident90.7Very high46 Ų4644.7 Ų44.730%0.29925%0.245SC..SBendtrans-62.9-31.2179.3-26.336.7000114.7Y238 Y250 L279Y238-P240 HydrophobicContact CD1-CG 4.37Å; P240-Y250 HydrophobicContact CG-CE2 4.41Å; P240-L279 HydrophobicContact CB-CD1 4.22Å
241D82.8Confident90.7Very high156 Ų15641.7 Ų41.783%0.83423%0.225SC*.SBendtrans-89.9-38.9-172.3-61.2-64.2000113.2N239N239-D241 VanDerWaalsContact C-N 3.3Å; N239-D241 PolarHBondContact O-N 3.48Å; N239-D241 PolarHBondContact OD1-N 2.98Å
242D84.2Confident90.8Very high71 Ų7139.2 Ų39.238%0.3820%0.199SC..  trans-130.990.7165.9-168-17.1000111.3N239 K244 E245N239-D242 WeakPolarHBondContact CB-O 3.43Å; N239-D242 CarbonylContact O-C 3.49Å; N239-D242 PolarHBondContact OD1-N 2.68Å; D242-K244 PolarHBondContact O-N 3.49Å; D242-K244 PolarHBondContact OD1-N 2.79Å; D242-E245 HydrophobicContact CB-CG 4.17Å; D242-E245 PolarHBondContact O-N 2.8Å
243P87.6Confident90.8Very high55 Ų5540 Ų4036%0.35720%0.203SC..THydrogen-bonded Turntrans-60.34.1-177.9-28.537.2000117.4Y238 N239 M285Y238-P243 HydrophobicContact CE2-CB 4Å; Y238-P243 WeakPolarHBondContact OH-CB 3.34Å; Y238-P243 WeakPolarHBondContact OH-CG 3.48Å; N239-P243 WeakPolarHBondContact O-CA 3.37Å; P243-M285 WeakPolarHBondContact O-CG 3.36Å
244K84.4Confident90.9Very high160 Ų16036.4 Ų36.470%0.69618%0.181SC*.THydrogen-bonded Turntrans-100.5-18.6173.7-65.5171.3-175.1163.10113.4D242D242-K244 PolarHBondContact O-N 3.49Å; D242-K244 PolarHBondContact OD1-N 2.79Å
245E84.9Confident90.9Very high56 Ų5639.9 Ų39.926%0.26220%0.197SC..SBendtrans-98.5167.6-176.9-57.8-66.7149.300110.9D242 K319D242-E245 HydrophobicContact CB-CG 4.17Å; D242-E245 PolarHBondContact O-N 2.8Å; E245-K319 WeakPolarHBondContact OE1-CE 3.23Å; E245-K319 IonicContact OE1-NZ 2.63Å; E245-K319 PolarHBondContact OE1-NZ 3.28Å; E245-K319 WeakPolarHBondContact OE2-CE 3.31Å; E245-K319 IonicContact OE2-NZ 2.67Å; E245-K319 PolarHBondContact OE2-NZ 3.5Å
246R86.8Confident90.8Very high15 Ų1544.9 Ų44.96%0.05722%0.219CC..  trans-68.5145.8171.7-166.9-177.5-83.4-73.5-2.7109.9N237 N239 F286 E289 S313 P316 E317N237-R246 WeakPolarHBondContact OD1-CG 3.36Å; N239-R246 PolarHBondContact ND2-O 3.33Å; N239-R246 VanDerWaalsContact ND2-O 3.07Å; R246-F286 HydrophobicContact CB-CE1 4.37Å; R246-F286 HydrophobicContact CB-CE2 4.08Å; R246-F286 HydrophobicContact CB-CZ 3.67Å; R246-F286 HydrophobicContact CG-CE2 4.38Å; R246-F286 HydrophobicContact CG-CZ 4.15Å; R246-E289 IonicContact CZ-OE1 2.78Å; R246-E289 IonicContact CZ-OE2 3.97Å; R246-E289 IonicContact NH1-OE1 2.77Å; R246-E289 IonicContact NH1-OE2 2.67Å; R246-E289 PolarHBondContact NH1-OE2 2.86Å; R246-E289 IonicContact NH2-OE1 2.6Å; R246-E289 PolarHBondContact NH2-OE1 3.45Å; R246-E289 IonicContact NH2-OE2 2.68Å; R246-E289 PolarHBondContact NH2-OE2 3.02Å; R246-S313 WeakPolarHBondContact CD-O 3.27Å; R246-S313 VanDerWaalsContact CZ-CB 3.43Å; R246-S313 PolarHBondContact NH1-O 2.69Å; R246-P316 WeakPolarHBondContact O-CA 3.09Å; R246-P316 WeakPolarHBondContact O-CB 3.49Å; R246-E317 IonicContact CZ-OE1 3.4Å; R246-E317 IonicContact NE-OE1 2.73Å; R246-E317 PolarHBondContact NE-OE1 2.86Å; R246-E317 IonicContact NH2-OE1 2.68Å
247G89.8Confident90.7Very high0 Ų047.9 Ų47.90%023%0.232CC..  trans-140.4-132.7175.200000111.5N237 Y238 G315N237-G247 PolarHBondContact ND2-O 3.23Å; N237-G247 PolarHBondContact OD1-N 3.18Å; Y238-G247 CarbonylContact O-C 3.49Å; Y238-G247 WeakPolarHBondContact O-CA 3.39Å; G247-G315 PolarHBondContact O-N 2.8Å
248Y91.4Very high90.5Very high73 Ų7353.5 Ų53.529%0.28625%0.253SS..EExtended strand (participates in β ladder)trans-109.1171.4-173.9-55.6-78.2000112M160 F164 N237 Y238 Y250M160-Y248 HydrophobicContact CE-CD1 4.22Å; M160-Y248 HydrophobicContact CE-CD2 3.37Å; M160-Y248 HydrophobicContact CE-CE1 4.34Å; M160-Y248 HydrophobicContact CE-CE2 3.52Å; M160-Y248 HydrophobicContact CE-CG 3.75Å; F164-Y248 AromaticContact CE1-CD1 3.66Å; F164-Y248 HydrophobicContact CE1-CD1 3.66Å; F164-Y248 HydrophobicContact CE1-CE1 4.02Å; F164-Y248 AromaticContact CZ-CD1 3.73Å; F164-Y248 HydrophobicContact CZ-CD1 3.73Å; F164-Y248 HydrophobicContact CZ-CE1 4.13Å; F164-Y248 HydrophobicContact CZ-CG 4.4Å; N237-Y248 WeakPolarHBondContact CA-O 3.49Å; Y238-Y248 PolarHBondContact N-O 2.87Å; Y238-Y248 PolarHBondContact O-N 3.29Å; Y248-Y250 VanDerWaalsContact O-CD2 3.31Å; Y248-Y250 WeakPolarHBondContact O-CD2 3.35Å
249W93.7Very high90.4Very high1 Ų157.2 Ų57.20%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-90.3120.2-178.8-58.896.4000111.4A162 W163 M235 V236 N237 E289 Y291 R312 S313 N314A162-W249 CarbonylContact C-O 3.6Å; A162-W249 VanDerWaalsContact CA-O 3.23Å; A162-W249 WeakPolarHBondContact CA-O 3.39Å; A162-W249 WeakPolarHBondContact CB-O 3.5Å; W163-W249 PolarHBondContact N-O 2.97Å; M235-W249 HydrophobicContact CE-CB 4.36Å; M235-W249 HydrophobicContact CE-CD2 4.32Å; M235-W249 HydrophobicContact CE-CE3 4.1Å; M235-W249 HydrophobicContact CE-CG 4.4Å; M235-W249 HydrophobicContact CG-CB 4.03Å; M235-W249 HydrophobicContact CG-CE3 4.42Å; M235-W249 HydrophobicContact SD-CB 3.83Å; M235-W249 HydrophobicContact SD-CG 4.48Å; V236-W249 WeakPolarHBondContact O-CA 3.47Å; N237-W249 HydrophobicContact CB-CD2 4.43Å; N237-W249 HydrophobicContact CB-CE3 4.06Å; N237-W249 HydrophobicContact CB-CH2 3.73Å; N237-W249 HydrophobicContact CB-CZ2 4.11Å; N237-W249 HydrophobicContact CB-CZ3 3.71Å; W249-E289 HydrophobicContact CH2-CB 4.01Å; W249-E289 HydrophobicContact CZ3-CB 4.44Å; W249-E289 WeakPolarHBondContact CZ3-O 3.41Å; W249-Y291 HydrophobicContact CE3-CD2 4.23Å; W249-Y291 HydrophobicContact CH2-CD2 4.25Å; W249-Y291 AromaticContact CH2-CE2 3.85Å; W249-Y291 HydrophobicContact CH2-CE2 3.85Å; W249-Y291 AromaticContact CZ3-CD2 3.7Å; W249-Y291 HydrophobicContact CZ3-CD2 3.7Å; W249-Y291 AromaticContact CZ3-CE2 3.79Å; W249-Y291 HydrophobicContact CZ3-CE2 3.79Å; W249-R312 HydrophobicContact CZ2-CB 3.65Å; W249-R312 HydrophobicContact CZ2-CG 4.3Å; W249-S313 WeakPolarHBondContact CZ2-O 3.32Å; W249-N314 PolarHBondContact NE1-OD1 3.07Å
250Y94.2Very high90.3Very high7 Ų759 Ų593%0.02728%0.283CS..EExtended strand (participates in β ladder)trans-123.6151.7179.5-62.7-83.2000110.6M160 A162 M235 V236 Y238 P240 Y248 I270 L272M160-Y250 WeakPolarHBondContact O-CE1 3.41Å; A162-Y250 HydrophobicContact CB-CD1 4.16Å; A162-Y250 HydrophobicContact CB-CE1 3.71Å; M235-Y250 CarbonylContact C-O 3.5Å; M235-Y250 WeakPolarHBondContact CA-O 3.31Å; V236-Y250 PolarHBondContact N-O 3.04Å; V236-Y250 PolarHBondContact O-N 3.11Å; Y238-Y250 WeakPolarHBondContact O-CE2 3.34Å; P240-Y250 HydrophobicContact CG-CE2 4.41Å; Y248-Y250 VanDerWaalsContact O-CD2 3.31Å; Y248-Y250 WeakPolarHBondContact O-CD2 3.35Å; Y250-I270 HydrophobicContact CD1-CG2 4.22Å; Y250-I270 HydrophobicContact CD2-CG2 4.3Å; Y250-I270 HydrophobicContact CG-CG2 3.78Å; Y250-L272 HydrophobicContact CD1-CD2 3.52Å; Y250-L272 HydrophobicContact CE1-CD2 3.4Å; Y250-L272 HydrophobicContact CG-CD2 4.37Å
251D94.6Very high90.2Very high20 Ų2068.1 Ų68.111%0.10731%0.311CS..EExtended strand (participates in β ladder)trans-75.9139.1165.3-66.4-23.6000109.5W163 R216 I234 I271 I293W163-D251 PolarHBondContact NE1-OD1 3.22Å; W163-D251 PolarHBondContact NE1-OD2 3.46Å; R216-D251 IonicContact CZ-OD1 3.21Å; R216-D251 VanDerWaalsContact CZ-OD1 3.25Å; R216-D251 IonicContact CZ-OD2 2.7Å; R216-D251 IonicContact NH1-OD1 2.84Å; R216-D251 PolarHBondContact NH1-OD1 2.92Å; R216-D251 IonicContact NH1-OD2 3.89Å; R216-D251 PolarHBondContact NH1-OD2 2.84Å; R216-D251 IonicContact NH2-OD1 3.79Å; R216-D251 PolarHBondContact NH2-OD1 2.89Å; R216-D251 IonicContact NH2-OD2 2.71Å; I234-D251 CarbonylContact O-C 3.59Å; I234-D251 WeakPolarHBondContact O-CA 3.26Å; D251-I271 HydrophobicContact CB-CD1 4.33Å; D251-I271 WeakPolarHBondContact O-CB 3.48Å; D251-I271 PolarHBondContact O-N 2.98Å; D251-I293 HydrophobicContact CB-CD1 4.22Å; D251-I293 WeakPolarHBondContact OD1-CD1 2.98Å
252A94.8Very high90Very high0 Ų065.9 Ų65.90%030%0.303CS..EExtended strand (participates in β ladder)trans-146.3142.4-176.600000112.4V233 I234 V236 A268 K269 I270V233-A252 WeakPolarHBondContact CA-O 3.47Å; I234-A252 VanDerWaalsContact CG1-O 3.24Å; I234-A252 WeakPolarHBondContact CG1-O 3.49Å; I234-A252 PolarHBondContact N-O 2.91Å; I234-A252 PolarHBondContact O-N 3.49Å; V236-A252 HydrophobicContact CG1-CB 4.41Å; V236-A252 HydrophobicContact CG2-CB 3.63Å; A252-A268 HydrophobicContact CB-CB 3.97Å; A252-K269 CarbonylContact C-O 3.55Å; A252-K269 WeakPolarHBondContact CA-O 3.39Å; A252-I270 HydrophobicContact CB-CD1 3.86Å
253E95.6Very high90Very high62 Ų6266 Ų6629%0.2930%0.303SS..EExtended strand (participates in β ladder)trans-96119.7176.2-176.8-165.6152.900109.1M232 Q255 A268 K269M232-E253 WeakPolarHBondContact O-CA 3.34Å; E253-Q255 PolarHBondContact O-N 3.49Å; E253-Q255 VanDerWaalsContact O-N 3.09Å; E253-A268 CarbonylContact O-C 3.53Å; E253-A268 WeakPolarHBondContact O-CA 3.3Å; E253-A268 WeakPolarHBondContact O-CB 3.33Å; E253-K269 HydrophobicContact CB-CB 4.34Å; E253-K269 PolarHBondContact N-O 3.35Å; E253-K269 PolarHBondContact O-N 2.84Å; E253-K269 IonicContact OE2-NZ 3.71Å; E253-K269 PolarHBondContact OE2-NZ 3.09Å
254I95.9Very high90.1Very high1 Ų169.5 Ų69.51%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-66.2112.3-179.9-57.2-178.5000109.5L228 P230 G231 M232 I234 I266L228-I254 HydrophobicContact CB-CD1 4.03Å; L228-I254 HydrophobicContact CD2-CD1 4.04Å; P230-I254 CarbonylContact C-O 3.51Å; P230-I254 VanDerWaalsContact CA-O 3.29Å; P230-I254 WeakPolarHBondContact CA-O 3.46Å; G231-I254 PolarHBondContact N-O 3.3Å; M232-I254 HydrophobicContact CB-CD1 4.15Å; M232-I254 HydrophobicContact CB-CG1 4.46Å; M232-I254 PolarHBondContact O-N 3.09Å; I234-I254 HydrophobicContact CD1-CD1 3.73Å; I234-I254 HydrophobicContact CD1-CG1 3.48Å; I234-I254 VanDerWaalsContact CD1-CG1 3.48Å; I234-I254 HydrophobicContact CG1-CD1 4.41Å; I234-I254 HydrophobicContact CG1-CG1 3.97Å; I234-I254 HydrophobicContact CG2-CD1 4.48Å; I254-I266 HydrophobicContact CG2-CG2 4.29Å
255Q94.9Very high90.5Very high72 Ų7262.6 Ų62.634%0.33628%0.279SS..EExtended strand (participates in β ladder)trans-86.7-35.3177.6-66.9-173.6-52.200111.7E253 Y267 K269 N280E253-Q255 PolarHBondContact O-N 3.49Å; E253-Q255 VanDerWaalsContact O-N 3.09Å; Q255-Y267 PolarHBondContact N-O 3.24Å; Q255-K269 HydrophobicContact CG-CB 3.95Å; Q255-N280 PolarHBondContact NE2-OD1 3.49Å
256K93.5Very high91Very high106 Ų10660 Ų6046%0.46127%0.267SS..EExtended strand (participates in β ladder)trans-159.6125.7-172.6174.2-175.9179-173.90112Y267K256-Y267 HydrophobicContact CD-CD2 4.33Å; K256-Y267 PolarHBondContact N-O 3.47Å; K256-Y267 PolarHBondContact O-N 3.06Å
257K94.1Very high91.4Very high63 Ų6361.3 Ų61.327%0.27427%0.272SS..EExtended strand (participates in β ladder)trans-107.7137.4171.7-176.9-178.3-178.3-1750109.3W225 L228 I266W225-K257 HydrophobicContact CH2-CG 4.01Å; W225-K257 HydrophobicContact CZ2-CD 4.39Å; W225-K257 HydrophobicContact CZ2-CG 3.9Å; W225-K257 WeakPolarHBondContact O-CE 3.28Å; W225-K257 PolarHBondContact O-NZ 3.06Å; L228-K257 WeakPolarHBondContact O-CD 3.41Å; L228-K257 WeakPolarHBondContact O-CE 3.19Å; L228-K257 PolarHBondContact O-NZ 2.97Å; K257-I266 HydrophobicContact CG-CG1 4.36Å
258R90.4Very high91.6Very high119 Ų11961.3 Ų61.345%0.44927%0.272SS..EExtended strand (participates in β ladder)trans-138.2131.2178.9179.5-179.3-178.5-133.45.2110.1E265R258-E265 HydrophobicContact CB-CB 4.2Å; R258-E265 WeakPolarHBondContact CD-OE2 3.25Å; R258-E265 IonicContact CZ-OE2 3.69Å; R258-E265 PolarHBondContact N-O 3.4Å; R258-E265 IonicContact NE-OE2 3.96Å; R258-E265 IonicContact NH1-OE2 2.67Å; R258-E265 PolarHBondContact NH1-OE2 3.5Å; R258-E265 PolarHBondContact O-N 3.24Å
259E89.7Confident91.8Very high99 Ų9960.4 Ų60.446%0.46327%0.27SS..EExtended strand (participates in β ladder)trans-128.8144.3174.5-171.9158.4-157.600110.7W225 R264W225-E259 HydrophobicContact CZ2-CB 4.14Å; W225-E259 VanDerWaalsContact NE1-CD 3.28Å; W225-E259 PolarHBondContact NE1-OE2 3.37Å; E259-R264 HydrophobicContact CG-CG 4.12Å; E259-R264 IonicContact OE1-CZ 3.19Å; E259-R264 IonicContact OE1-NE 2.74Å; E259-R264 PolarHBondContact OE1-NE 3.43Å; E259-R264 IonicContact OE1-NH2 2.75Å; E259-R264 PolarHBondContact OE1-NH2 3.01Å
260T87.7Confident91.8Very high57 Ų5760.3 Ų60.335%0.3527%0.27SS..  trans-145.1170.9171.564.90000107.9T262 I263T260-T262 PolarHBondContact O-N 2.63Å; T260-I263 PolarHBondContact N-O 2.94Å; T260-I263 PolarHBondContact O-N 2.83Å; T260-I263 WeakPolarHBondContact OG1-CB 3.46Å; T260-I263 PolarHBondContact OG1-N 3.14Å; T260-I263 PolarHBondContact OG1-O 3.07Å; T260-I263 VanDerWaalsContact OG1-O 3.06Å
261R82.4Confident91.6Very high238 Ų23862.9 Ų62.990%0.89828%0.283SS*.SBendtrans-54.1-19.9-178.6-158.9-17371.284.7-0.3115
262T80.2Confident91Very high108 Ų10863.8 Ų63.866%0.66329%0.288SS*.SBendtrans-137.2-3.4-175.155.60000114.7T260T260-T262 PolarHBondContact O-N 2.63Å
263I83.3Confident89.7Confident74 Ų7464.8 Ų64.838%0.37930%0.298SS..  trans-138.6127.2-176.8-54.6174.7000109.3T260 E265T260-I263 PolarHBondContact N-O 2.94Å; T260-I263 PolarHBondContact O-N 2.83Å; T260-I263 WeakPolarHBondContact OG1-CB 3.46Å; T260-I263 PolarHBondContact OG1-N 3.14Å; T260-I263 PolarHBondContact OG1-O 3.07Å; T260-I263 VanDerWaalsContact OG1-O 3.06Å; I263-E265 HydrophobicContact CG2-CG 3.73Å
264R89.9Confident87.8Confident128 Ų12867.3 Ų67.348%0.48331%0.31SS..EExtended strand (participates in β ladder)trans-113.6129.4167.2-76.8179173.3168.7-1.9108.6W225 E259 I287W225-R264 HydrophobicContact CD2-CG 4.29Å; W225-R264 HydrophobicContact CE3-CB 4.39Å; W225-R264 HydrophobicContact CH2-CB 3.62Å; W225-R264 HydrophobicContact CH2-CG 4.02Å; W225-R264 HydrophobicContact CZ2-CB 3.86Å; W225-R264 HydrophobicContact CZ2-CG 3.71Å; W225-R264 HydrophobicContact CZ3-CB 3.88Å; W225-R264 HydrophobicContact CZ3-CG 4.4Å; E259-R264 HydrophobicContact CG-CG 4.12Å; E259-R264 IonicContact OE1-CZ 3.19Å; E259-R264 IonicContact OE1-NE 2.74Å; E259-R264 PolarHBondContact OE1-NE 3.43Å; E259-R264 IonicContact OE1-NH2 2.75Å; E259-R264 PolarHBondContact OE1-NH2 3.01Å; R264-I287 HydrophobicContact CB-CD1 3.54Å
265E92.6Very high85.9Confident16 Ų1669.6 Ų69.68%0.07533%0.329CS..EExtended strand (participates in β ladder)trans-138.5131.1-175.6-83.6166.8166.700110.1R258 I263 Y267 R283R258-E265 HydrophobicContact CB-CB 4.2Å; R258-E265 WeakPolarHBondContact CD-OE2 3.25Å; R258-E265 IonicContact CZ-OE2 3.69Å; R258-E265 PolarHBondContact N-O 3.4Å; R258-E265 IonicContact NE-OE2 3.96Å; R258-E265 IonicContact NH1-OE2 2.67Å; R258-E265 PolarHBondContact NH1-OE2 3.5Å; R258-E265 PolarHBondContact O-N 3.24Å; I263-E265 HydrophobicContact CG2-CG 3.73Å; E265-Y267 HydrophobicContact CB-CE2 4Å; E265-R283 IonicContact OE1-CZ 2.67Å; E265-R283 IonicContact OE1-NH1 3.93Å; E265-R283 PolarHBondContact OE1-NH1 3.09Å; E265-R283 IonicContact OE1-NH2 2.65Å; E265-R283 PolarHBondContact OE1-NH2 2.79Å
266I94.4Very high84Confident0 Ų068.7 Ų68.70%034%0.339CS..EExtended strand (participates in β ladder)trans-120133.7168.2-73.7170.5000107.5W225 L228 I254 K257 I284 I287 I290W225-I266 HydrophobicContact CE3-CD1 4.08Å; W225-I266 HydrophobicContact CH2-CD1 4.16Å; W225-I266 HydrophobicContact CH2-CG1 3.86Å; W225-I266 HydrophobicContact CZ3-CD1 3.47Å; W225-I266 VanDerWaalsContact CZ3-CD1 3.47Å; W225-I266 HydrophobicContact CZ3-CG1 3.64Å; L228-I266 HydrophobicContact CD1-CD1 3.64Å; I254-I266 HydrophobicContact CG2-CG2 4.29Å; K257-I266 HydrophobicContact CG-CG1 4.36Å; I266-I284 HydrophobicContact CB-CB 4.36Å; I266-I284 HydrophobicContact CG2-CB 4.22Å; I266-I284 HydrophobicContact CG2-CG1 3.94Å; I266-I284 PolarHBondContact O-N 3.19Å; I266-I287 HydrophobicContact CB-CG2 4.45Å; I266-I287 HydrophobicContact CD1-CG2 4.45Å; I266-I290 HydrophobicContact CD1-CD1 3.68Å
267Y95.6Very high83.1Confident43 Ų4367.2 Ų67.217%0.16934%0.336CS..EExtended strand (participates in β ladder)trans-116.6129.7168.8-63.2-104.9000107.3Q255 K256 E265 D281 C282 R283Q255-Y267 PolarHBondContact N-O 3.24Å; K256-Y267 HydrophobicContact CD-CD2 4.33Å; K256-Y267 PolarHBondContact N-O 3.47Å; K256-Y267 PolarHBondContact O-N 3.06Å; E265-Y267 HydrophobicContact CB-CE2 4Å; Y267-D281 WeakPolarHBondContact CD1-O 3.47Å; Y267-D281 WeakPolarHBondContact CD1-OD1 3.44Å; Y267-C282 WeakPolarHBondContact CA-O 3.44Å; Y267-R283 HydrophobicContact CD1-CB 4.28Å; Y267-R283 HydrophobicContact CE1-CB 4.1Å
268A95.5Very high82.6Confident0 Ų066.4 Ų66.40%034%0.338CS..EExtended strand (participates in β ladder)trans-134162.9-17700000111A252 E253 C282 I284A252-A268 HydrophobicContact CB-CB 3.97Å; E253-A268 CarbonylContact O-C 3.53Å; E253-A268 WeakPolarHBondContact O-CA 3.3Å; E253-A268 WeakPolarHBondContact O-CB 3.33Å; A268-C282 PolarHBondContact N-O 2.78Å; A268-C282 WeakPolarHBondContact O-CB 3.43Å; A268-C282 PolarHBondContact O-N 3.06Å; A268-I284 HydrophobicContact CB-CD1 4.16Å; A268-I284 HydrophobicContact CB-CG1 4.01Å
269K94.9Very high82.5Confident54 Ų5463.5 Ų63.524%0.23533%0.331CS..EExtended strand (participates in β ladder)trans-98108.7170.5164.8-175.4152.1-147.60108.5A252 E253 Q255 L279A252-K269 CarbonylContact C-O 3.55Å; A252-K269 WeakPolarHBondContact CA-O 3.39Å; E253-K269 HydrophobicContact CB-CB 4.34Å; E253-K269 PolarHBondContact N-O 3.35Å; E253-K269 PolarHBondContact O-N 2.84Å; E253-K269 IonicContact OE2-NZ 3.71Å; E253-K269 PolarHBondContact OE2-NZ 3.09Å; Q255-K269 HydrophobicContact CG-CB 3.95Å; K269-L279 CarbonylContact C-O 3.55Å; K269-L279 WeakPolarHBondContact CA-O 3.34Å
270I93.9Very high82.6Confident0 Ų063.2 Ų63.20%033%0.333CS..EExtended strand (participates in β ladder)trans-73.8133.4177.4-48.3-60.1000108.9V236 Y238 Y250 A252 L272 S278 L279 C282 I284V236-I270 HydrophobicContact CG2-CD1 3.89Å; Y238-I270 HydrophobicContact CD1-CD1 4.21Å; Y238-I270 HydrophobicContact CD1-CG1 3.83Å; Y238-I270 HydrophobicContact CD2-CD1 4.29Å; Y238-I270 HydrophobicContact CE1-CG1 4.14Å; Y238-I270 HydrophobicContact CG-CD1 3.9Å; Y238-I270 HydrophobicContact CG-CG1 4.04Å; Y250-I270 HydrophobicContact CD1-CG2 4.22Å; Y250-I270 HydrophobicContact CD2-CG2 4.3Å; Y250-I270 HydrophobicContact CG-CG2 3.78Å; A252-I270 HydrophobicContact CB-CD1 3.86Å; I270-L272 HydrophobicContact CG2-CD2 3.91Å; I270-L272 HydrophobicContact CG2-CG 4.41Å; I270-S278 CarbonylContact O-C 3.55Å; I270-S278 WeakPolarHBondContact O-CA 3.02Å; I270-S278 WeakPolarHBondContact O-CB 3.34Å; I270-L279 HydrophobicContact CB-CB 4.23Å; I270-L279 HydrophobicContact CG1-CB 4.48Å; I270-L279 PolarHBondContact N-O 3.05Å; I270-L279 PolarHBondContact O-N 3.45Å; I270-C282 HydrophobicContact CD1-CB 4.15Å; I270-C282 HydrophobicContact CG1-CB 3.72Å; I270-I284 HydrophobicContact CD1-CD1 3.82Å
271I89.3Confident82.7Confident60 Ų6065 Ų6531%0.30834%0.34SS..EExtended strand (participates in β ladder)trans-99.1124.6178.3-54.5173000108.3D251D251-I271 HydrophobicContact CB-CD1 4.33Å; D251-I271 WeakPolarHBondContact O-CB 3.48Å; D251-I271 PolarHBondContact O-N 2.98Å
272L81.8Confident83.2Confident40 Ų4054.1 Ų54.121%0.20930%0.301CS..EExtended strand (participates in β ladder)trans-118.9101.8-176.6-61.8-178.8000110.8Y250 I270 D277 L279Y250-L272 HydrophobicContact CD1-CD2 3.52Å; Y250-L272 HydrophobicContact CE1-CD2 3.4Å; Y250-L272 HydrophobicContact CG-CD2 4.37Å; I270-L272 HydrophobicContact CG2-CD2 3.91Å; I270-L272 HydrophobicContact CG2-CG 4.41Å; L272-D277 WeakPolarHBondContact CA-O 3.36Å; L272-D277 PolarHBondContact N-O 3.14Å; L272-L279 HydrophobicContact CD1-CD1 3.97Å; L272-L279 HydrophobicContact CD1-CD2 4.26Å; L272-L279 HydrophobicContact CD1-CG 3.79Å
273G67.7Low83.9Confident20 Ų2053.5 Ų53.521%0.20629%0.286CS..THydrogen-bonded Turntrans67.7-170.7171.800000114.8
274E57Low84.4Confident115 Ų11550.2 Ų50.254%0.53727%0.269SS..THydrogen-bonded Turntrans-78.8-20.1-172.1-64.1-133.490.800114.5K213 G276K213-E274 WeakPolarHBondContact CE-OE1 3.35Å; K213-E274 IonicContact NZ-OE1 2.65Å; K213-E274 PolarHBondContact NZ-OE1 3.01Å; K213-E274 IonicContact NZ-OE2 2.78Å; K213-E274 PolarHBondContact NZ-OE2 3.41Å; E274-G276 PolarHBondContact O-N 2.95Å; E274-G276 VanDerWaalsContact O-N 3.14Å
275A54.2Low84.4Confident49 Ų4948 Ų4841%0.40527%0.265SS..THydrogen-bonded Turntrans-76.2-1.4-170.400000114.2D277 R746A275-D277 VanDerWaalsContact C-N 3.28Å; A275-D277 WeakPolarHBondContact CB-OD2 3.32Å; A275-R746 VanDerWaalsContact O-CZ 3.24Å; A275-R746 PolarHBondContact O-NH2 3.26Å
276G56.8Low84.2Confident53 Ų5349.3 Ų49.355%0.54627%0.271SS..THydrogen-bonded Turntrans77.312.1-174.400000114E274E274-G276 PolarHBondContact O-N 2.95Å; E274-G276 VanDerWaalsContact O-N 3.14Å
277D72.9Confident84Confident76 Ų7651.1 Ų51.141%0.40628%0.28SS..EExtended strand (participates in β ladder)trans-69.6134.1176.3-63.9-36.8000108.9L272 A275 R746L272-D277 WeakPolarHBondContact CA-O 3.36Å; L272-D277 PolarHBondContact N-O 3.14Å; A275-D277 VanDerWaalsContact C-N 3.28Å; A275-D277 WeakPolarHBondContact CB-OD2 3.32Å; D277-R746 IonicContact OD1-CZ 3.56Å; D277-R746 IonicContact OD1-NH1 2.68Å; D277-R746 PolarHBondContact OD1-NH1 3.1Å; D277-R746 VanDerWaalsContact OD1-NH1 3.11Å; D277-R746 IonicContact OD1-NH2 3.25Å; D277-R746 PolarHBondContact OD1-NH2 3.07Å; D277-R746 IonicContact OD2-CZ 3.17Å; D277-R746 IonicContact OD2-NH1 2.68Å; D277-R746 PolarHBondContact OD2-NH1 2.88Å; D277-R746 IonicContact OD2-NH2 3.29Å
278S85.2Confident83.5Confident45 Ų4554.4 Ų54.432%0.31531%0.305SS..EExtended strand (participates in β ladder)trans-155.7140.3-171.747.30000113.2I270 N280I270-S278 CarbonylContact O-C 3.55Å; I270-S278 WeakPolarHBondContact O-CA 3.02Å; I270-S278 WeakPolarHBondContact O-CB 3.34Å; S278-N280 PolarHBondContact O-ND2 3.26Å
279L88.4Confident83.2Confident59 Ų5956.3 Ų56.331%0.30931%0.313SS..EExtended strand (participates in β ladder)trans-96.4127.5178.8-52.6177.9000108.7Y238 P240 K269 I270 L272 C282Y238-L279 HydrophobicContact CE1-CD1 3.98Å; P240-L279 HydrophobicContact CB-CD1 4.22Å; K269-L279 CarbonylContact C-O 3.55Å; K269-L279 WeakPolarHBondContact CA-O 3.34Å; I270-L279 HydrophobicContact CB-CB 4.23Å; I270-L279 HydrophobicContact CG1-CB 4.48Å; I270-L279 PolarHBondContact N-O 3.05Å; I270-L279 PolarHBondContact O-N 3.45Å; L272-L279 HydrophobicContact CD1-CD1 3.97Å; L272-L279 HydrophobicContact CD1-CD2 4.26Å; L272-L279 HydrophobicContact CD1-CG 3.79Å; L279-C282 WeakPolarHBondContact CB-SG 3.46Å
280N91.3Very high83.2Confident92 Ų9253.7 Ų53.749%0.49230%0.302SS..EExtended strand (participates in β ladder)trans-107155.4-175.1-73.4-99.6000111.4Q255 S278 C282Q255-N280 PolarHBondContact NE2-OD1 3.49Å; S278-N280 PolarHBondContact O-ND2 3.26Å; N280-C282 PolarHBondContact O-N 2.77Å
281D89.5Confident83.2Confident96 Ų9655 Ų5551%0.51331%0.308SS..EExtended strand (participates in β ladder)trans55.131-176.2-153.837.9000113.7Y267 R283Y267-D281 WeakPolarHBondContact CD1-O 3.47Å; Y267-D281 WeakPolarHBondContact CD1-OD1 3.44Å; D281-R283 PolarHBondContact O-N 3.41Å
282C92.6Very high83.3Confident9 Ų955.1 Ų55.16%0.06131%0.306CS..EExtended strand (participates in β ladder)trans-73.7114.2177.8-72.20000110.6Y238 Y267 A268 I270 L279 N280 I284Y238-C282 HydrophobicContact CD2-CB 4.42Å; Y238-C282 HydrophobicContact CE1-CB 4.47Å; Y238-C282 HydrophobicContact CE2-CB 3.75Å; Y238-C282 PolarHBondContact OH-SG 3.32Å; Y267-C282 WeakPolarHBondContact CA-O 3.44Å; A268-C282 PolarHBondContact N-O 2.78Å; A268-C282 WeakPolarHBondContact O-CB 3.43Å; A268-C282 PolarHBondContact O-N 3.06Å; I270-C282 HydrophobicContact CD1-CB 4.15Å; I270-C282 HydrophobicContact CG1-CB 3.72Å; L279-C282 WeakPolarHBondContact CB-SG 3.46Å; N280-C282 PolarHBondContact O-N 2.77Å; C282-I284 PolarHBondContact O-N 3.45Å
283R94.6Very high83.9Confident95 Ų9555.3 Ų55.336%0.35831%0.306SS..EExtended strand (participates in β ladder)trans-65.9116.4173.1-176.9-167.9-177.4101.57.7109.9E265 Y267 D281 M285E265-R283 IonicContact OE1-CZ 2.67Å; E265-R283 IonicContact OE1-NH1 3.93Å; E265-R283 PolarHBondContact OE1-NH1 3.09Å; E265-R283 IonicContact OE1-NH2 2.65Å; E265-R283 PolarHBondContact OE1-NH2 2.79Å; Y267-R283 HydrophobicContact CD1-CB 4.28Å; Y267-R283 HydrophobicContact CE1-CB 4.1Å; D281-R283 PolarHBondContact O-N 3.41Å; R283-M285 HydrophobicContact CG-SD 4.19Å
284I93.8Very high84.9Confident4 Ų454.6 Ų54.62%0.02130%0.298CS..EExtended strand (participates in β ladder)trans-80.8122.6173.6-53.9-53.5000109.1V236 Y238 I266 A268 I270 C282 I287 I290V236-I284 HydrophobicContact CB-CD1 4.27Å; V236-I284 HydrophobicContact CB-CG2 4.41Å; V236-I284 HydrophobicContact CG1-CG2 4.48Å; V236-I284 HydrophobicContact CG2-CD1 3.85Å; Y238-I284 HydrophobicContact CD2-CD1 4.28Å; I266-I284 HydrophobicContact CB-CB 4.36Å; I266-I284 HydrophobicContact CG2-CB 4.22Å; I266-I284 HydrophobicContact CG2-CG1 3.94Å; I266-I284 PolarHBondContact O-N 3.19Å; A268-I284 HydrophobicContact CB-CD1 4.16Å; A268-I284 HydrophobicContact CB-CG1 4.01Å; I270-I284 HydrophobicContact CD1-CD1 3.82Å; C282-I284 PolarHBondContact O-N 3.45Å; I284-I287 HydrophobicContact CG2-CG2 4.49Å; I284-I287 WeakPolarHBondContact O-CG2 3.21Å; I284-I290 HydrophobicContact CG2-CD1 4.45Å
285M90.3Very high86.2Confident83 Ų8355.8 Ų55.841%0.40930%0.303SS..SBendtrans-87.3-41.3-179.1-64.5-61.5-69.300112P243 R283 I287P243-M285 WeakPolarHBondContact O-CG 3.36Å; R283-M285 HydrophobicContact CG-SD 4.19Å; M285-I287 VanDerWaalsContact C-N 3.28Å; M285-I287 PolarHBondContact O-N 2.79Å
286F89.5Confident87.4Confident42 Ų4256.8 Ų56.818%0.18431%0.305CS..  trans-87.456.6-174.7-57.7-84.5000112.2N237 R246 T288 E289N237-F286 HydrophobicContact CB-CB 4.4Å; N237-F286 HydrophobicContact CB-CD2 4.12Å; N237-F286 HydrophobicContact CB-CG 4.41Å; R246-F286 HydrophobicContact CB-CE1 4.37Å; R246-F286 HydrophobicContact CB-CE2 4.08Å; R246-F286 HydrophobicContact CB-CZ 3.67Å; R246-F286 HydrophobicContact CG-CE2 4.38Å; R246-F286 HydrophobicContact CG-CZ 4.15Å; F286-T288 PolarHBondContact O-N 3.29Å; F286-E289 HydrophobicContact CB-CB 4.34Å; F286-E289 PolarHBondContact O-N 3Å
287I88.9Confident87.9Confident39 Ų3958 Ų5820%0.232%0.319CS..THydrogen-bonded Turntrans-64.8-6-174.363.2168.4000115.4W225 R264 I266 I284 M285 I290W225-I287 HydrophobicContact CE3-CD1 4.2Å; W225-I287 HydrophobicContact CZ3-CB 4.3Å; W225-I287 HydrophobicContact CZ3-CD1 3.95Å; W225-I287 HydrophobicContact CZ3-CG2 4.43Å; R264-I287 HydrophobicContact CB-CD1 3.54Å; I266-I287 HydrophobicContact CB-CG2 4.45Å; I266-I287 HydrophobicContact CD1-CG2 4.45Å; I284-I287 HydrophobicContact CG2-CG2 4.49Å; I284-I287 WeakPolarHBondContact O-CG2 3.21Å; M285-I287 VanDerWaalsContact C-N 3.28Å; M285-I287 PolarHBondContact O-N 2.79Å; I287-I290 HydrophobicContact CB-CD1 4.5Å
288T85.9Confident87.3Confident111 Ų11156.4 Ų56.468%0.68131%0.313SS*.THydrogen-bonded Turntrans-94.3-8.617346.10000113.5F286F286-T288 PolarHBondContact O-N 3.29Å
289E89.7Confident85.6Confident40 Ų4058.2 Ų58.219%0.18733%0.326CS..  trans-12244.6-174.5-59.5173.9-133.300110R246 W249 F286R246-E289 IonicContact CZ-OE1 2.78Å; R246-E289 IonicContact CZ-OE2 3.97Å; R246-E289 IonicContact NH1-OE1 2.77Å; R246-E289 IonicContact NH1-OE2 2.67Å; R246-E289 PolarHBondContact NH1-OE2 2.86Å; R246-E289 IonicContact NH2-OE1 2.6Å; R246-E289 PolarHBondContact NH2-OE1 3.45Å; R246-E289 IonicContact NH2-OE2 2.68Å; R246-E289 PolarHBondContact NH2-OE2 3.02Å; W249-E289 HydrophobicContact CH2-CB 4.01Å; W249-E289 HydrophobicContact CZ3-CB 4.44Å; W249-E289 WeakPolarHBondContact CZ3-O 3.41Å; F286-E289 HydrophobicContact CB-CB 4.34Å; F286-E289 PolarHBondContact O-N 3Å
290I93.2Very high83.5Confident0 Ų059.5 Ų59.50%034%0.34CS..  trans-96.5114.6178.7-65.8175.9000108.7V222 Y223 L228 I234 V236 I266 I284 I287V222-I290 CarbonylContact C-O 3.51Å; V222-I290 WeakPolarHBondContact CA-O 3.47Å; Y223-I290 PolarHBondContact N-O 3.01Å; L228-I290 HydrophobicContact CD1-CB 4.39Å; L228-I290 HydrophobicContact CD1-CD1 3.65Å; L228-I290 HydrophobicContact CD1-CG2 4.36Å; L228-I290 HydrophobicContact CD2-CG2 3.69Å; I234-I290 HydrophobicContact CB-CG2 3.91Å; I234-I290 HydrophobicContact CD1-CD1 4.47Å; I234-I290 HydrophobicContact CD1-CG2 3.5Å; I234-I290 VanDerWaalsContact CD1-CG2 3.5Å; I234-I290 HydrophobicContact CG1-CG2 4.26Å; I234-I290 HydrophobicContact CG2-CG2 4.08Å; V236-I290 HydrophobicContact CG1-CG1 4.23Å; V236-I290 HydrophobicContact CG1-CG2 4.36Å; I266-I290 HydrophobicContact CD1-CD1 3.68Å; I284-I290 HydrophobicContact CG2-CD1 4.45Å; I287-I290 HydrophobicContact CB-CD1 4.5Å
291Y93.9Very high81Confident28 Ų2862 Ų6211%0.1135%0.353CS..BIsolated β-bridgetrans-95.7146.2-174.6-75.7-95.3000112.2A219 T221 V222 M235 W249 R312A219-Y291 HydrophobicContact CB-CD1 4.02Å; A219-Y291 HydrophobicContact CB-CG 4.4Å; T221-Y291 WeakPolarHBondContact O-CA 3.34Å; V222-Y291 HydrophobicContact CG2-CD1 3.83Å; V222-Y291 HydrophobicContact CG2-CE1 3.45Å; V222-Y291 VanDerWaalsContact CG2-CE1 3.45Å; V222-Y291 HydrophobicContact CG2-CE2 4.19Å; V222-Y291 HydrophobicContact CG2-CG 4.35Å; M235-Y291 HydrophobicContact CE-CD2 4.09Å; M235-Y291 HydrophobicContact CE-CG 3.89Å; M235-Y291 PolarHBondContact N-O 3.18Å; M235-Y291 PolarHBondContact O-N 2.9Å; W249-Y291 HydrophobicContact CE3-CD2 4.23Å; W249-Y291 HydrophobicContact CH2-CD2 4.25Å; W249-Y291 AromaticContact CH2-CE2 3.85Å; W249-Y291 HydrophobicContact CH2-CE2 3.85Å; W249-Y291 AromaticContact CZ3-CD2 3.7Å; W249-Y291 HydrophobicContact CZ3-CD2 3.7Å; W249-Y291 AromaticContact CZ3-CE2 3.79Å; W249-Y291 HydrophobicContact CZ3-CE2 3.79Å; Y291-R312 HydrophobicContact CE2-CG 4.27Å
292K93.4Very high78.6Confident61 Ų6161.8 Ų61.827%0.26536%0.359SS..PPolyproline II helixtrans-70138.7162.5-179.2-176.3169.4-131.50109.5T221 Y223 E294T221-K292 HydrophobicContact CG2-CB 4.47Å; T221-K292 HydrophobicContact CG2-CD 4.47Å; T221-K292 PolarHBondContact O-N 2.93Å; Y223-K292 HydrophobicContact CD2-CB 4.22Å; Y223-K292 HydrophobicContact CE2-CB 3.7Å; Y223-K292 HydrophobicContact CE2-CG 4.12Å; K292-E294 WeakPolarHBondContact CE-OE2 3.46Å; K292-E294 IonicContact NZ-OE2 2.69Å; K292-E294 PolarHBondContact NZ-OE2 3.49Å
293I92.8Very high75.8Confident44 Ų4467.4 Ų67.423%0.22640%0.395CS..PPolyproline II helixtrans-77117.9164.6-62.4174.8000107.4V233 M235 D251V233-I293 HydrophobicContact CG1-CD1 3.8Å; M235-I293 HydrophobicContact CB-CG1 4.31Å; D251-I293 HydrophobicContact CB-CD1 4.22Å; D251-I293 WeakPolarHBondContact OD1-CD1 2.98Å
294E90Very high73.2Confident6 Ų668.2 Ų68.23%0.02842%0.422CS..PPolyproline II helixtrans-85.6140-179.6-53.1-66.8-175.500110.6P217 R220 T221 K292P217-E294 HydrophobicContact CB-CB 4.11Å; P217-E294 HydrophobicContact CG-CB 4.49Å; R220-E294 HydrophobicContact CG-CG 4.25Å; R220-E294 WeakPolarHBondContact CG-OE1 3.47Å; T221-E294 VanDerWaalsContact CB-OE1 3.29Å; T221-E294 WeakPolarHBondContact CB-OE1 3.45Å; T221-E294 PolarHBondContact N-OE1 3.41Å; T221-E294 PolarHBondContact OG1-OE1 2.81Å; K292-E294 WeakPolarHBondContact CE-OE2 3.46Å; K292-E294 IonicContact NZ-OE2 2.69Å; K292-E294 PolarHBondContact NZ-OE2 3.49Å
295E83.1Confident70.5Confident140 Ų14071.1 Ų71.165%0.65445%0.453SS*.PPolyproline II helixtrans-98.1150.2-176.4-67.2-178.1164.400112.1G297 S298E295-G297 PolarHBondContact O-N 2.86Å; E295-S298 WeakPolarHBondContact O-CB 3.38Å; E295-S298 PolarHBondContact O-N 3.45Å; E295-S298 VanDerWaalsContact O-N 3.15Å; E295-S298 PolarHBondContact O-OG 2.95Å
296P79.1Confident67.8Low69 Ų6973.8 Ų73.845%0.44847%0.474SS..THydrogen-bonded Turntrans-57133.9175.9-20.431.4000111.6F146 Y147 S298F146-P296 HydrophobicContact CB-CB 4.27Å; F146-P296 HydrophobicContact CD1-CB 4.36Å; F146-P296 HydrophobicContact CG-CB 4.34Å; Y147-P296 HydrophobicContact CE1-CB 4.43Å; P296-S298 VanDerWaalsContact C-N 3.31Å; P296-S298 PolarHBondContact O-N 2.78Å
297G68.4Low65.4Low80 Ų8079 Ų7983%0.82550%0.504SS*.THydrogen-bonded Turntrans80.60.8-178.100000115.5E295 S299E295-G297 PolarHBondContact O-N 2.86Å; G297-S299 PolarHBondContact O-N 3.28Å; G297-S299 VanDerWaalsContact O-N 3.16Å
298S60.7Low63.3Low41 Ų4180.8 Ų80.829%0.28752%0.521SS..  trans-62.1114.4169.555.40000111R220 E295 P296R220-S298 PolarHBondContact NH2-O 3.46Å; R220-S298 PolarHBondContact NH2-OG 2.71Å; E295-S298 WeakPolarHBondContact O-CB 3.38Å; E295-S298 PolarHBondContact O-N 3.45Å; E295-S298 VanDerWaalsContact O-N 3.15Å; E295-S298 PolarHBondContact O-OG 2.95Å; P296-S298 VanDerWaalsContact C-N 3.31Å; P296-S298 PolarHBondContact O-N 2.78Å
299S48.4Very low62.1Low83 Ų8377.7 Ų77.758%0.5850%0.502SS*.  trans-63.2138.5-169.959.20000112.6G297 D301G297-S299 PolarHBondContact O-N 3.28Å; G297-S299 VanDerWaalsContact O-N 3.16Å; S299-D301 WeakPolarHBondContact CB-OD1 3.38Å; S299-D301 PolarHBondContact O-N 2.79Å; S299-D301 PolarHBondContact OG-OD1 3.12Å
300S45.6Very low60.8Low87 Ų8783.5 Ų83.561%0.60853%0.534SS*.  trans-83.786.9168.452.80000109.3S302S300-S302 PolarHBondContact O-N 2.93Å
301D38.8Very low59.8Low145 Ų14588.9 Ų88.978%0.77556%0.557SS**  trans-75.140.2173.1-65-3.3000111.7S299S299-D301 WeakPolarHBondContact CB-OD1 3.38Å; S299-D301 PolarHBondContact O-N 2.79Å; S299-D301 PolarHBondContact OG-OD1 3.12Å
302S38Very low59.4Low91 Ų9188 Ų8864%0.63655%0.554SS**SBendtrans-139.9129.1177.4-67.80000108.3S300S300-S302 PolarHBondContact O-N 2.93Å
303P34.6Very low58.7Low126 Ų12688 Ų8882%0.81856%0.562SS**  trans-59.6154.9-177-25.535000114G305P303-G305 PolarHBondContact O-N 2.72Å; P303-G305 VanDerWaalsContact O-N 3.17Å
304A38.5Very low57.8Low112 Ų11287.3 Ų87.393%0.92656%0.558SS**SBendtrans-64.7115172.700000110.8
305G37Very low56.5Low65 Ų6587.7 Ų87.767%0.6756%0.563SS**SBendtrans101.998.7171.800000115P303P303-G305 PolarHBondContact O-N 2.72Å; P303-G305 VanDerWaalsContact O-N 3.17Å
306T33.3Very low55.3Low139 Ų13984.8 Ų84.885%0.85356%0.557SS**SBend-159.9-39.1103.431.60000111.7
307D39.1Very low54.6Low151 Ų15185.7 Ų85.781%0.80756%0.555SS**PPolyproline II helixtrans-97125.2-175.1-65.8-56.3000112.5
308S45.3Very low54.7Low78 Ų7882.5 Ų82.555%0.54552%0.52SS..PPolyproline II helixtrans-65.7141.6158.7-171.30000108.7L310S308-L310 PolarHBondContact O-N 2.89Å
309P60.8Low55.4Low45 Ų4587.6 Ų87.629%0.29254%0.537SS..PPolyproline II helixtrans-50.3126.5173.8-26.735.6000110.5L152 R218 K311L152-P309 HydrophobicContact CD1-CG 4.4Å; R218-P309 HydrophobicContact CG-CB 3.73Å; R218-P309 HydrophobicContact CG-CG 3.93Å; P309-K311 PolarHBondContact O-N 3.27Å
310L62.1Low56.9Low163 Ų16389.2 Ų89.285%0.85354%0.535SS*.  trans-56110.1-174.7-77.3171.7000110S308 R312S308-L310 PolarHBondContact O-N 2.89Å; L310-R312 PolarHBondContact O-N 3.27Å
311K73.1Confident58.6Low113 Ų11385.6 Ų85.649%0.49151%0.51SS..  trans-51.6132.5-179.8178.1-178.9167-1800110.3D201 P309D201-K311 WeakPolarHBondContact OD1-CE 3.31Å; D201-K311 IonicContact OD1-NZ 3.57Å; D201-K311 PolarHBondContact OD1-NZ 2.95Å; D201-K311 WeakPolarHBondContact OD2-CE 3.36Å; D201-K311 IonicContact OD2-NZ 3.58Å; D201-K311 PolarHBondContact OD2-NZ 2.8Å; P309-K311 PolarHBondContact O-N 3.27Å
312R86Confident60.3Low9 Ų986.7 Ų86.73%0.03451%0.508CS..  trans-77.4153.3-172.6-60.6179.7-67.1-109.2-1111.3D154 E165 W249 Y291 L310 N314D154-R312 IonicContact OD1-CZ 3.19Å; D154-R312 VanDerWaalsContact OD1-CZ 3.24Å; D154-R312 IonicContact OD1-NH1 3.19Å; D154-R312 PolarHBondContact OD1-NH1 2.96Å; D154-R312 IonicContact OD1-NH2 2.78Å; D154-R312 PolarHBondContact OD1-NH2 2.87Å; D154-R312 IonicContact OD2-CZ 2.69Å; D154-R312 IonicContact OD2-NH1 2.67Å; D154-R312 PolarHBondContact OD2-NH1 3.1Å; D154-R312 IonicContact OD2-NH2 2.65Å; E165-R312 VanDerWaalsContact CD-CZ 3.49Å; E165-R312 VanDerWaalsContact OE1-CB 3.28Å; E165-R312 WeakPolarHBondContact OE1-CB 3.21Å; E165-R312 IonicContact OE1-CZ 2.7Å; E165-R312 PolarHBondContact OE1-N 2.86Å; E165-R312 IonicContact OE1-NE 3.4Å; E165-R312 PolarHBondContact OE1-NE 2.84Å; E165-R312 IonicContact OE1-NH2 3.54Å; E165-R312 IonicContact OE2-CZ 2.66Å; E165-R312 IonicContact OE2-NE 3.52Å; E165-R312 IonicContact OE2-NH2 2.68Å; E165-R312 PolarHBondContact OE2-NH2 2.97Å; W249-R312 HydrophobicContact CZ2-CB 3.65Å; W249-R312 HydrophobicContact CZ2-CG 4.3Å; Y291-R312 HydrophobicContact CE2-CG 4.27Å; L310-R312 PolarHBondContact O-N 3.27Å; R312-N314 PolarHBondContact O-N 3.01Å; R312-N314 VanDerWaalsContact O-N 3.12Å
313S77.3Confident61.8Low62 Ų6285 Ų8543%0.43449%0.492SS..  trans-78.496.6172.2-64.30000109.8R246 W249R246-S313 WeakPolarHBondContact CD-O 3.27Å; R246-S313 VanDerWaalsContact CZ-CB 3.43Å; R246-S313 PolarHBondContact NH1-O 2.69Å; W249-S313 WeakPolarHBondContact CZ2-O 3.32Å
314N74.4Confident63.6Low28 Ų2881.6 Ų81.615%0.1547%0.467CS..  trans-78.4145.1170.2-60-24000109.2W249 R312W249-N314 PolarHBondContact NE1-OD1 3.07Å; R312-N314 PolarHBondContact O-N 3.01Å; R312-N314 VanDerWaalsContact O-N 3.12Å
315G62.5Low65.2Low14 Ų1483.6 Ų83.614%0.14446%0.461CS..SBendtrans-108.8-179.5-174.500000115.1G247G247-G315 PolarHBondContact O-N 2.8Å
316P58.9Low67.1Low80 Ų8090 Ų9052%0.51947%0.47SS..  cis-90.2140.4-3.234-32.7000113.1R246 C318R246-P316 WeakPolarHBondContact O-CA 3.09Å; R246-P316 WeakPolarHBondContact O-CB 3.49Å; P316-C318 PolarHBondContact O-N 2.93Å
317E64.6Low69.5Low87 Ų8788.9 Ų88.941%0.40745%0.453SS..  trans-65.6126.6-176.6-72.4175.2-135.600113.2R246 K319 D323R246-E317 IonicContact CZ-OE1 3.4Å; R246-E317 IonicContact NE-OE1 2.73Å; R246-E317 PolarHBondContact NE-OE1 2.86Å; R246-E317 IonicContact NH2-OE1 2.68Å; E317-K319 PolarHBondContact O-N 3.21Å; E317-D323 WeakPolarHBondContact CA-OD2 3.23Å
318C68.9Low71.8Confident14 Ų1486.5 Ų86.510%0.09544%0.441CS..  trans-66.1105.7176.4179.30000111.3P316 H320 C321 K322 D323 C329 C332P316-C318 PolarHBondContact O-N 2.93Å; C318-H320 PolarHBondContact O-N 3.48Å; C318-C321 PolarHBondContact O-N 2.96Å; C318-K322 WeakPolarHBondContact O-CA 3.26Å; C318-K322 PolarHBondContact O-N 3.43Å; C318-D323 WeakPolarHBondContact CA-OD1 3.45Å; C318-D323 WeakPolarHBondContact CB-OD1 3.49Å; C318-D323 PolarHBondContact N-OD1 3.2Å; C318-C329 VanDerWaalsContact SG-SG 3.67Å; C318-C332 HydrophobicContact CB-CB 3.65Å; C318-C332 VanDerWaalsContact SG-CB 3.55Å
319K76.4Confident73.6Confident147 Ų14783.2 Ų83.264%0.63942%0.417SS*.THydrogen-bonded Turntrans-53-18.4179-67.9167.5-180168.80115.1E245 E317E245-K319 WeakPolarHBondContact OE1-CE 3.23Å; E245-K319 IonicContact OE1-NZ 2.63Å; E245-K319 PolarHBondContact OE1-NZ 3.28Å; E245-K319 WeakPolarHBondContact OE2-CE 3.31Å; E245-K319 IonicContact OE2-NZ 2.67Å; E245-K319 PolarHBondContact OE2-NZ 3.5Å; E317-K319 PolarHBondContact O-N 3.21Å
320H79.1Confident74.8Confident117 Ų11787.7 Ų87.754%0.54243%0.429SS..THydrogen-bonded Turntrans-91-35.6178.1-64-96.6000114.4C318 W331C318-H320 PolarHBondContact O-N 3.48Å; H320-W331 HydrophobicContact CB-CB 4.25Å; H320-W331 HydrophobicContact CB-CG 4.46Å; H320-W331 AromaticContact CD2-CD1 3.7Å; H320-W331 AromaticContact CD2-CG 3.64Å; H320-W331 AromaticContact CE1-CD1 3.78Å; H320-W331 AromaticContact CE1-CD2 3.89Å; H320-W331 AromaticContact CE1-CE2 3.67Å; H320-W331 AromaticContact CE1-CG 3.96Å; H320-W331 AromaticContact CE1-NE1 3.58Å; H320-W331 AromaticContact CG-CD2 3.99Å; H320-W331 AromaticContact CG-CG 3.78Å; H320-W331 AromaticContact ND1-CD2 3.75Å; H320-W331 AromaticContact ND1-CE2 3.95Å; H320-W331 AromaticContact ND1-CG 3.97Å; H320-W331 AromaticContact NE2-CD1 3.43Å; H320-W331 AromaticContact NE2-CG 3.79Å; H320-W331 AromaticContact NE2-NE1 3.63Å
321C81.8Confident75.7Confident11 Ų1187 Ų877%0.07442%0.415CS..THydrogen-bonded Turntrans-117.8-9.6-178.174.50000115.4C318 D323 D324 C329 K340C318-C321 PolarHBondContact O-N 2.96Å; C321-D323 PolarHBondContact O-N 3.19Å; C321-D324 WeakPolarHBondContact O-CB 3.39Å; C321-D324 PolarHBondContact O-N 2.95Å; C321-C329 HydrophobicContact CB-CB 3.74Å; C321-K340 PolarHBondContact SG-NZ 3.03Å; C321-K340 VanDerWaalsContact SG-NZ 3.43Å
322K75.2Confident75.9Confident169 Ų16984 Ų8474%0.73541%0.407SS*.THydrogen-bonded Turntrans51.843.1-173-53.7-173.1-179.9-170.70111.9C318 D324C318-K322 WeakPolarHBondContact O-CA 3.26Å; C318-K322 PolarHBondContact O-N 3.43Å; K322-D324 PolarHBondContact O-N 2.93Å
323D67.9Low75.9Confident56 Ų5685 Ų8530%0.29941%0.413SS..THydrogen-bonded Turntrans49.74.6-176.7-60.3-13.5000118.4E317 C318 C321 L325 K340E317-D323 WeakPolarHBondContact CA-OD2 3.23Å; C318-D323 WeakPolarHBondContact CA-OD1 3.45Å; C318-D323 WeakPolarHBondContact CB-OD1 3.49Å; C318-D323 PolarHBondContact N-OD1 3.2Å; C321-D323 PolarHBondContact O-N 3.19Å; D323-L325 PolarHBondContact O-N 3.32Å; D323-K340 PolarHBondContact O-NZ 3Å
324D74.3Confident76.5Confident54 Ų5482 Ų8229%0.28939%0.392SS..  trans-43.1107.9177.1-176.5-20000111.5C321 K322 K326 K327 K340C321-D324 WeakPolarHBondContact O-CB 3.39Å; C321-D324 PolarHBondContact O-N 2.95Å; K322-D324 PolarHBondContact O-N 2.93Å; D324-K326 PolarHBondContact O-N 3.05Å; D324-K326 VanDerWaalsContact O-N 3.09Å; D324-K326 WeakPolarHBondContact OD1-CB 3.29Å; D324-K326 PolarHBondContact OD1-N 3.17Å; D324-K327 HydrophobicContact CB-CB 4.2Å; D324-K327 HydrophobicContact CB-CD 4.24Å; D324-K327 HydrophobicContact CB-CG 4.13Å; D324-K327 PolarHBondContact O-N 2.74Å; D324-K327 IonicContact OD2-NZ 2.72Å; D324-K327 PolarHBondContact OD2-NZ 2.97Å; D324-K340 PolarHBondContact O-NZ 2.91Å
325L70.4Confident77.2Confident153 Ų15384.1 Ų84.180%0.80140%0.401SS*.THydrogen-bonded Turntrans-64-16.3-173.8-62.2176.3000112.6D323D323-L325 PolarHBondContact O-N 3.32Å
326K77.8Confident78.4Confident200 Ų20086.7 Ų86.787%0.8741%0.411SS*.THydrogen-bonded Turntrans-93.6-3.3177.6-58.1178.4-177.8178.60112.9D324D324-K326 PolarHBondContact O-N 3.05Å; D324-K326 VanDerWaalsContact O-N 3.09Å; D324-K326 WeakPolarHBondContact OD1-CB 3.29Å; D324-K326 PolarHBondContact OD1-N 3.17Å
327K83.1Confident79.9Confident115 Ų11584.4 Ų84.450%0.540%0.397SS..SBendtrans-108.3125177.1-70.5-170.8-179.186.70112.1D324 K340D324-K327 HydrophobicContact CB-CB 4.2Å; D324-K327 HydrophobicContact CB-CD 4.24Å; D324-K327 HydrophobicContact CB-CG 4.13Å; D324-K327 PolarHBondContact O-N 2.74Å; D324-K327 IonicContact OD2-NZ 2.72Å; D324-K327 PolarHBondContact OD2-NZ 2.97Å; K327-K340 WeakPolarHBondContact O-CE 3.09Å
328N87Confident80.9Confident102 Ų10280.3 Ų80.355%0.54538%0.377SS..  trans-63.5138.5166.6-7011.7000110.4C337 G338 I339N328-C337 PolarHBondContact ND2-O 3.45Å; N328-G338 CarbonylContact C-O 3.59Å; N328-G338 WeakPolarHBondContact CA-O 3.39Å; N328-G338 WeakPolarHBondContact CB-O 3.32Å; N328-I339 WeakPolarHBondContact ND2-CG1 3.45Å
329C83.4Confident81.7Confident8 Ų882.3 Ų82.35%0.05439%0.387CS..  trans-138.9118179.3-1680000111.4C318 C321 W331 N333 G338C318-C329 VanDerWaalsContact SG-SG 3.67Å; C321-C329 HydrophobicContact CB-CB 3.74Å; C329-W331 PolarHBondContact O-N 2.91Å; C329-N333 CarbonylContact O-C 3.49Å; C329-N333 WeakPolarHBondContact O-CB 3.43Å; C329-N333 PolarHBondContact O-N 2.81Å; C329-G338 PolarHBondContact N-O 3.31Å; C329-G338 WeakPolarHBondContact O-CA 3.35Å
330R87.4Confident81.9Confident139 Ų13977.8 Ų77.853%0.52537%0.367SS..SBendtrans-80.611176.1-67.9179.7164.2164.8-3.8114.2H335 I336 M354R330-H335 WeakPolarHBondContact CD-O 3.36Å; R330-H335 VanDerWaalsContact CG-O 3.22Å; R330-H335 WeakPolarHBondContact CG-O 3.14Å; R330-H335 PolarHBondContact NE-O 3.37Å; R330-H335 PolarHBondContact O-ND1 3.39Å; R330-I336 VanDerWaalsContact CZ-O 3.23Å; R330-I336 PolarHBondContact NE-O 3.12Å; R330-I336 PolarHBondContact NH2-O 3.5Å; R330-M354 WeakPolarHBondContact O-CE 3.11Å
331W80.2Confident81.8Confident150 Ų15078.4 Ų78.457%0.56837%0.37SS*.SBendtrans-112.4-47.5-178-91.6-93.9000113H320 C329H320-W331 HydrophobicContact CB-CB 4.25Å; H320-W331 HydrophobicContact CB-CG 4.46Å; H320-W331 AromaticContact CD2-CD1 3.7Å; H320-W331 AromaticContact CD2-CG 3.64Å; H320-W331 AromaticContact CE1-CD1 3.78Å; H320-W331 AromaticContact CE1-CD2 3.89Å; H320-W331 AromaticContact CE1-CE2 3.67Å; H320-W331 AromaticContact CE1-CG 3.96Å; H320-W331 AromaticContact CE1-NE1 3.58Å; H320-W331 AromaticContact CG-CD2 3.99Å; H320-W331 AromaticContact CG-CG 3.78Å; H320-W331 AromaticContact ND1-CD2 3.75Å; H320-W331 AromaticContact ND1-CE2 3.95Å; H320-W331 AromaticContact ND1-CG 3.97Å; H320-W331 AromaticContact NE2-CD1 3.43Å; H320-W331 AromaticContact NE2-CG 3.79Å; H320-W331 AromaticContact NE2-NE1 3.63Å; C329-W331 PolarHBondContact O-N 2.91Å
332C77.9Confident81.7Confident49 Ų4980.5 Ų80.533%0.33138%0.381SS..SBendtrans-101.411.1176.168.40000113.8C318C318-C332 HydrophobicContact CB-CB 3.65Å; C318-C332 VanDerWaalsContact SG-CB 3.55Å
333N86.3Confident81.6Confident29 Ų2976.9 Ų76.916%0.15537%0.374CS..SBendtrans-159.7177.7-176.3-110.1-94.9000108.5C329 H335 I339 K340 Q346C329-N333 CarbonylContact O-C 3.49Å; C329-N333 WeakPolarHBondContact O-CB 3.43Å; C329-N333 PolarHBondContact O-N 2.81Å; N333-H335 PolarHBondContact O-N 2.86Å; N333-H335 VanDerWaalsContact O-N 3.14Å; N333-I339 PolarHBondContact OD1-O 2.82Å; N333-I339 VanDerWaalsContact OD1-O 3.11Å; N333-K340 HydrophobicContact CB-CG 4.45Å; N333-K340 WeakPolarHBondContact OD1-CA 3.35Å; N333-Q346 PolarHBondContact OD1-NE2 3.3Å
334C88.8Confident81.9Confident0 Ų078.8 Ų78.80%039%0.385CS..  trans-41.4118.6-169173.70000114.1I336 C337 G338 A355 H357C334-I336 PolarHBondContact O-N 3.41Å; C334-C337 PolarHBondContact O-N 3.06Å; C334-C337 VanDerWaalsContact SG-SG 3.63Å; C334-G338 WeakPolarHBondContact O-CA 3.48Å; C334-G338 PolarHBondContact O-N 3.44Å; C334-A355 CarbonylContact C-O 3.59Å; C334-A355 VanDerWaalsContact CA-O 3.27Å; C334-A355 WeakPolarHBondContact CA-O 3.4Å; C334-H357 WeakPolarHBondContact CB-ND1 3.45Å; C334-H357 PolarHBondContact SG-N 3.41Å; C334-H357 VanDerWaalsContact SG-N 3.44Å
335H89.5Confident82.3Confident73 Ų7379.8 Ų79.834%0.33839%0.386SS..THydrogen-bonded Turntrans-62.4-20.5-173.7-166.555.7000113.7R330 N333 M354 A355 Y356R330-H335 WeakPolarHBondContact CD-O 3.36Å; R330-H335 VanDerWaalsContact CG-O 3.22Å; R330-H335 WeakPolarHBondContact CG-O 3.14Å; R330-H335 PolarHBondContact NE-O 3.37Å; R330-H335 PolarHBondContact O-ND1 3.39Å; N333-H335 PolarHBondContact O-N 2.86Å; N333-H335 VanDerWaalsContact O-N 3.14Å; H335-M354 HydrophobicContact CB-CE 4.33Å; H335-M354 WeakPolarHBondContact ND1-CE 3.49Å; H335-A355 PolarHBondContact N-O 3.41Å; H335-Y356 HydrophobicContact CB-CD1 4.42Å; H335-Y356 HydrophobicContact CB-CE1 3.86Å; H335-Y356 HydrophobicContact CB-CE2 4.2Å; H335-Y356 PolarHBondContact CD2-OH 3.25Å
336I88.3Confident83Confident68 Ų6874.3 Ų74.335%0.34936%0.357SS..THydrogen-bonded Turntrans-86.3-58.5-179.7-61175.6000111.2R330 C334 Y356 C360R330-I336 VanDerWaalsContact CZ-O 3.23Å; R330-I336 PolarHBondContact NE-O 3.12Å; R330-I336 PolarHBondContact NH2-O 3.5Å; C334-I336 PolarHBondContact O-N 3.41Å; I336-Y356 HydrophobicContact CD1-CD1 3.72Å; I336-Y356 HydrophobicContact CD1-CE1 4Å; I336-Y356 HydrophobicContact CG1-CD1 3.86Å; I336-Y356 HydrophobicContact CG1-CE1 3.89Å; I336-C360 HydrophobicContact CB-CB 4.22Å; I336-C360 HydrophobicContact CD1-CB 4.35Å; I336-C360 WeakPolarHBondContact CD1-O 3.27Å; I336-C360 HydrophobicContact CG2-CB 4.31Å
337C90.1Very high83.3Confident32 Ų3265.5 Ų65.522%0.21632%0.319CS..THydrogen-bonded Turntrans-96.3-26.9-174.968.60000114.1N328 C334 I339 H357N328-C337 PolarHBondContact ND2-O 3.45Å; C334-C337 PolarHBondContact O-N 3.06Å; C334-C337 VanDerWaalsContact SG-SG 3.63Å; C337-I339 HydrophobicContact CB-CD1 3.98Å; C337-I339 HydrophobicContact CB-CG1 4.01Å; C337-I339 PolarHBondContact O-N 2.96Å; C337-I339 PolarHBondContact SG-N 3.49Å; C337-I339 VanDerWaalsContact SG-N 3.37Å; C337-H357 PolarHBondContact SG-ND1 3.28Å
338G85.4Confident83.1Confident0 Ų065.6 Ų65.60%032%0.324CS..  trans70.23.2-17300000115.4N328 C329 C334N328-G338 CarbonylContact C-O 3.59Å; N328-G338 WeakPolarHBondContact CA-O 3.39Å; N328-G338 WeakPolarHBondContact CB-O 3.32Å; C329-G338 PolarHBondContact N-O 3.31Å; C329-G338 WeakPolarHBondContact O-CA 3.35Å; C334-G338 WeakPolarHBondContact O-CA 3.48Å; C334-G338 PolarHBondContact O-N 3.44Å
339I85.6Confident82.7Confident56 Ų5660.8 Ų60.829%0.28730%0.299SS..  trans-72.8138.3-173.8-59.2169.7000110.1N328 N333 C337 Q341 H357N328-I339 WeakPolarHBondContact ND2-CG1 3.45Å; N333-I339 PolarHBondContact OD1-O 2.82Å; N333-I339 VanDerWaalsContact OD1-O 3.11Å; C337-I339 HydrophobicContact CB-CD1 3.98Å; C337-I339 HydrophobicContact CB-CG1 4.01Å; C337-I339 PolarHBondContact O-N 2.96Å; C337-I339 PolarHBondContact SG-N 3.49Å; C337-I339 VanDerWaalsContact SG-N 3.37Å; I339-Q341 VanDerWaalsContact C-N 3.32Å; I339-Q341 HydrophobicContact CG2-CB 3.89Å; I339-Q341 HydrophobicContact CG2-CG 3.88Å; I339-Q341 PolarHBondContact O-N 3.29Å; I339-H357 PolarHBondContact O-CE1 2.95Å
340K80Confident82.1Confident52 Ų5264.7 Ų64.723%0.22632%0.319CS..  trans-89.622.4-177.2-63.4-176.8169.4178.90115C321 D323 D324 K327 N333C321-K340 PolarHBondContact SG-NZ 3.03Å; C321-K340 VanDerWaalsContact SG-NZ 3.43Å; D323-K340 PolarHBondContact O-NZ 3Å; D324-K340 PolarHBondContact O-NZ 2.91Å; K327-K340 WeakPolarHBondContact O-CE 3.09Å; N333-K340 HydrophobicContact CB-CG 4.45Å; N333-K340 WeakPolarHBondContact OD1-CA 3.35Å
341Q78.6Confident80.9Confident130 Ų13063.9 Ų63.961%0.60732%0.321SS*.  trans-103.9170.2-178.1-66.5169.6-17.500109.8I339 Q346 H357I339-Q341 VanDerWaalsContact C-N 3.32Å; I339-Q341 HydrophobicContact CG2-CB 3.89Å; I339-Q341 HydrophobicContact CG2-CG 3.88Å; I339-Q341 PolarHBondContact O-N 3.29Å; Q341-Q346 PolarHBondContact O-NE2 2.83Å; Q341-H357 PolarHBondContact O-CE1 3.07Å; Q341-H357 PolarHBondContact O-NE2 2.99Å
342D77.9Confident80.6Confident56 Ų5658.9 Ų58.930%0.29931%0.308SS..  trans44.256.2177.3-6814000114.9D344 K345 H357 Y359D342-D344 VanDerWaalsContact C-OD1 3.23Å; D342-D344 VanDerWaalsContact CA-OD1 3.25Å; D342-D344 WeakPolarHBondContact CA-OD1 3.31Å; D342-D344 PolarHBondContact O-N 2.58Å; D342-K345 HydrophobicContact CB-CB 4.23Å; D342-K345 HydrophobicContact CB-CD 4.22Å; D342-K345 PolarHBondContact O-N 3.12Å; D342-K345 VanDerWaalsContact O-N 3.1Å; D342-K345 IonicContact OD1-NZ 3.03Å; D342-K345 WeakPolarHBondContact OD2-CE 2.97Å; D342-K345 IonicContact OD2-NZ 2.78Å; D342-K345 PolarHBondContact OD2-NZ 3.26Å; D342-H357 PolarHBondContact O-CD2 2.96Å; D342-H357 PolarHBondContact O-NE2 3.31Å; D342-Y359 HydrophobicContact CB-CE1 4.09Å
343P73.8Confident80.3Confident93 Ų9362.8 Ų62.860%0.60433%0.326SS*.G310 helixtrans-63.1-31.3177.628.5-34.8000111.9K345 Q346P343-K345 PolarHBondContact O-N 2.67Å; P343-K345 VanDerWaalsContact O-N 3.1Å; P343-Q346 PolarHBondContact O-N 3.4Å
344D75Confident80.1Confident96 Ų9663.1 Ų63.151%0.51333%0.327SS..G310 helixtrans-58.8-16.8172.768.1-50.3000113.9D342D342-D344 VanDerWaalsContact C-OD1 3.23Å; D342-D344 VanDerWaalsContact CA-OD1 3.25Å; D342-D344 WeakPolarHBondContact CA-OD1 3.31Å; D342-D344 PolarHBondContact O-N 2.58Å
345K82.5Confident79.8Confident75 Ų7563.5 Ų63.533%0.32633%0.33SS..G310 helixtrans-114.113.9179-69.4162.1-117.9167.90112.5D342 P343 H357 T358 Y359D342-K345 HydrophobicContact CB-CB 4.23Å; D342-K345 HydrophobicContact CB-CD 4.22Å; D342-K345 PolarHBondContact O-N 3.12Å; D342-K345 VanDerWaalsContact O-N 3.1Å; D342-K345 IonicContact OD1-NZ 3.03Å; D342-K345 WeakPolarHBondContact OD2-CE 2.97Å; D342-K345 IonicContact OD2-NZ 2.78Å; D342-K345 PolarHBondContact OD2-NZ 3.26Å; P343-K345 PolarHBondContact O-N 2.67Å; P343-K345 VanDerWaalsContact O-N 3.1Å; K345-H357 CarbonylContact O-C 3.56Å; K345-H357 WeakPolarHBondContact O-CA 3.33Å; K345-T358 PolarHBondContact O-N 2.85Å; K345-T358 PolarHBondContact O-OG1 3.47Å; K345-Y359 HydrophobicContact CB-CE1 4.28Å; K345-Y359 HydrophobicContact CD-CD1 4.49Å; K345-Y359 HydrophobicContact CD-CE1 4.32Å
346Q84.3Confident79.9Confident38 Ų3860.9 Ų60.918%0.17832%0.317CS..EExtended strand (participates in β ladder)trans-92.1142.8173.5-63.2-171.324.800111.8N333 Q341 P343 Y356 H357N333-Q346 PolarHBondContact OD1-NE2 3.3Å; Q341-Q346 PolarHBondContact O-NE2 2.83Å; P343-Q346 PolarHBondContact O-N 3.4Å; Q346-Y356 CarbonylContact C-O 3.57Å; Q346-Y356 WeakPolarHBondContact CA-O 3.38Å; Q346-H357 PolarHBondContact NE2-NE2 2.74Å
347L85Confident80Confident15 Ų1557.6 Ų57.68%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-115.3134.4171.8-54.5179.9000108.9A355 Y356 T358 L361 L365 I368 P369 W374L347-A355 CarbonylContact O-C 3.56Å; L347-A355 VanDerWaalsContact O-CA 3.31Å; L347-A355 WeakPolarHBondContact O-CA 3.31Å; L347-Y356 PolarHBondContact N-O 3.42Å; L347-Y356 PolarHBondContact O-N 3.38Å; L347-T358 HydrophobicContact CD1-CG2 4.08Å; L347-T358 HydrophobicContact CD2-CG2 4.28Å; L347-T358 HydrophobicContact CG-CG2 4.02Å; L347-L361 HydrophobicContact CD1-CD1 4.27Å; L347-L365 HydrophobicContact CD1-CD1 3.72Å; L347-I368 HydrophobicContact CD2-CB 4.3Å; L347-I368 HydrophobicContact CD2-CG1 4.15Å; L347-I368 HydrophobicContact CD2-CG2 3.82Å; L347-P369 HydrophobicContact CD1-CG 4.23Å; L347-W374 HydrophobicContact CB-CD2 3.89Å; L347-W374 HydrophobicContact CB-CE3 3.6Å; L347-W374 HydrophobicContact CB-CH2 4.14Å; L347-W374 HydrophobicContact CB-CZ2 4.41Å; L347-W374 HydrophobicContact CB-CZ3 3.72Å; L347-W374 HydrophobicContact CD1-CD2 3.86Å; L347-W374 HydrophobicContact CD1-CE3 4.42Å; L347-W374 HydrophobicContact CD1-CG 4.19Å; L347-W374 HydrophobicContact CD1-CZ2 4Å
348L78.9Confident79.9Confident117 Ų11756.6 Ų56.661%0.61329%0.293SS*.EExtended strand (participates in β ladder)trans-95.5141.6171.5-67.2168.6000109.2A355L348-A355 HydrophobicContact CD2-CB 3.83Å
349C77.4Confident80.2Confident1 Ų161.2 Ų61.21%0.00731%0.312CS..  trans-101.2120.3-176.2171.60000113.3E351 C352 D353 M354 W374 C376C349-E351 PolarHBondContact O-N 2.87Å; C349-C352 PolarHBondContact O-N 3.27Å; C349-D353 WeakPolarHBondContact O-CA 3.38Å; C349-D353 PolarHBondContact O-N 3.07Å; C349-M354 PolarHBondContact N-O 2.67Å; C349-W374 WeakPolarHBondContact CA-O 3.37Å; C349-W374 HydrophobicContact CB-CE3 3.98Å; C349-W374 HydrophobicContact CB-CZ3 3.79Å; C349-C376 HydrophobicContact CB-CB 3.82Å; C349-C376 PolarHBondContact SG-N 2.96Å
350D71.3Confident80.3Confident89 Ų8960 Ų6048%0.47631%0.308SS..THydrogen-bonded Turntrans-68.3-0-171-53.6-72.6000116.4W374D350-W374 PolarHBondContact N-O 3.38Å; D350-W374 VanDerWaalsContact N-O 3.13Å; D350-W374 PolarHBondContact OD2-N 2.85Å; D350-W374 VanDerWaalsContact OD2-O 3.08Å
351E62.3Low80.6Confident122 Ų12258 Ų5857%0.5730%0.3SS*.THydrogen-bonded Turntrans-105.2-19.3171.3-178.6170.4-138.600113.4C349 Y375 C379C349-E351 PolarHBondContact O-N 2.87Å; E351-Y375 HydrophobicContact CB-CD1 4.1Å; E351-Y375 HydrophobicContact CB-CE1 4.16Å; E351-C379 HydrophobicContact CB-CB 4.13Å; E351-C379 HydrophobicContact CG-CB 4.49Å; E351-C379 WeakPolarHBondContact OE2-CB 3.44Å; E351-C379 PolarHBondContact OE2-SG 3.16Å
352C74.4Confident80.5Confident45 Ų4557.8 Ų57.830%0.30430%0.303SS..THydrogen-bonded Turntrans-141.1-0.7-172.4680000116.1C349 M354C349-C352 PolarHBondContact O-N 3.27Å; C352-M354 HydrophobicContact CB-CG 4.21Å; C352-M354 WeakPolarHBondContact O-CG 3.26Å; C352-M354 PolarHBondContact O-N 2.69Å
353D71.6Confident80.7Confident132 Ų13259.3 Ų59.371%0.70632%0.315SS*.  trans58.28.2-179.7-50.2-38.5000115.2C349C349-D353 WeakPolarHBondContact O-CA 3.38Å; C349-D353 PolarHBondContact O-N 3.07Å
354M80.8Confident81.3Confident36 Ų3658.7 Ų58.718%0.17731%0.312CS..  trans-80.6132.6-177.9-58.2-55.9-57.500111.6R330 H335 C349 C352 Y356R330-M354 WeakPolarHBondContact O-CE 3.11Å; H335-M354 HydrophobicContact CB-CE 4.33Å; H335-M354 WeakPolarHBondContact ND1-CE 3.49Å; C349-M354 PolarHBondContact N-O 2.67Å; C352-M354 HydrophobicContact CB-CG 4.21Å; C352-M354 WeakPolarHBondContact O-CG 3.26Å; C352-M354 PolarHBondContact O-N 2.69Å; M354-Y356 HydrophobicContact CB-CE2 3.83Å; M354-Y356 VanDerWaalsContact O-CD2 3.27Å; M354-Y356 WeakPolarHBondContact O-CD2 3.22Å; M354-Y356 WeakPolarHBondContact O-CE2 3.22Å
355A84.3Confident81.7Confident7 Ų757 Ų576%0.05830%0.302CS..EExtended strand (participates in β ladder)trans-78.1148.9177.700000113.4C334 H335 L347 L348C334-A355 CarbonylContact C-O 3.59Å; C334-A355 VanDerWaalsContact CA-O 3.27Å; C334-A355 WeakPolarHBondContact CA-O 3.4Å; H335-A355 PolarHBondContact N-O 3.41Å; L347-A355 CarbonylContact O-C 3.56Å; L347-A355 VanDerWaalsContact O-CA 3.31Å; L347-A355 WeakPolarHBondContact O-CA 3.31Å; L348-A355 HydrophobicContact CD2-CB 3.83Å
356Y89.9Confident81.6Confident18 Ų1860.5 Ų60.57%0.07133%0.33CS..EExtended strand (participates in β ladder)trans-146.5129.6174.9-66.9-100.6000111.5H335 I336 Q346 L347 M354 L361 W374 C376H335-Y356 HydrophobicContact CB-CD1 4.42Å; H335-Y356 HydrophobicContact CB-CE1 3.86Å; H335-Y356 HydrophobicContact CB-CE2 4.2Å; H335-Y356 PolarHBondContact CD2-OH 3.25Å; I336-Y356 HydrophobicContact CD1-CD1 3.72Å; I336-Y356 HydrophobicContact CD1-CE1 4Å; I336-Y356 HydrophobicContact CG1-CD1 3.86Å; I336-Y356 HydrophobicContact CG1-CE1 3.89Å; Q346-Y356 CarbonylContact C-O 3.57Å; Q346-Y356 WeakPolarHBondContact CA-O 3.38Å; L347-Y356 PolarHBondContact N-O 3.42Å; L347-Y356 PolarHBondContact O-N 3.38Å; M354-Y356 HydrophobicContact CB-CE2 3.83Å; M354-Y356 VanDerWaalsContact O-CD2 3.27Å; M354-Y356 WeakPolarHBondContact O-CD2 3.22Å; M354-Y356 WeakPolarHBondContact O-CE2 3.22Å; Y356-L361 HydrophobicContact CD1-CD2 3.92Å; Y356-L361 HydrophobicContact CG-CD2 4.11Å; Y356-W374 AromaticContact CD2-CH2 3.69Å; Y356-W374 HydrophobicContact CD2-CH2 3.69Å; Y356-W374 AromaticContact CD2-CZ3 3.81Å; Y356-W374 HydrophobicContact CD2-CZ3 3.81Å; Y356-W374 AromaticContact CG-CH2 3.82Å; Y356-W374 HydrophobicContact CG-CH2 3.82Å; Y356-W374 HydrophobicContact CG-CZ3 4.35Å; Y356-C376 HydrophobicContact CD2-CB 3.57Å; Y356-C376 HydrophobicContact CE1-CB 4.17Å; Y356-C376 HydrophobicContact CE2-CB 3.12Å; Y356-C376 HydrophobicContact CG-CB 4.28Å; Y356-C376 VanDerWaalsContact CZ-CB 3.47Å; Y356-C376 PolarHBondContact OH-SG 3.09Å; Y356-C376 VanDerWaalsContact OH-SG 3.41Å
357H90.1Very high81.4Confident0 Ų062.3 Ų62.30%035%0.347CS..EExtended strand (participates in β ladder)trans-64.8135.8166.8-70.6109.5000111.2C334 C337 I339 Q341 D342 K345 Q346 Y359 C360 L361C334-H357 WeakPolarHBondContact CB-ND1 3.45Å; C334-H357 PolarHBondContact SG-N 3.41Å; C334-H357 VanDerWaalsContact SG-N 3.44Å; C337-H357 PolarHBondContact SG-ND1 3.28Å; I339-H357 PolarHBondContact O-CE1 2.95Å; Q341-H357 PolarHBondContact O-CE1 3.07Å; Q341-H357 PolarHBondContact O-NE2 2.99Å; D342-H357 PolarHBondContact O-CD2 2.96Å; D342-H357 PolarHBondContact O-NE2 3.31Å; K345-H357 CarbonylContact O-C 3.56Å; K345-H357 WeakPolarHBondContact O-CA 3.33Å; Q346-H357 PolarHBondContact NE2-NE2 2.74Å; H357-Y359 HydrophobicContact CB-CD1 4.1Å; H357-Y359 HydrophobicContact CB-CD2 4.07Å; H357-Y359 HydrophobicContact CB-CE1 3.91Å; H357-Y359 HydrophobicContact CB-CE2 3.85Å; H357-Y359 HydrophobicContact CB-CG 4.2Å; H357-Y359 AromaticContact CD2-CE1 3.7Å; H357-Y359 AromaticContact CD2-CZ 3.57Å; H357-Y359 PolarHBondContact CD2-OH 3.2Å; H357-Y359 AromaticContact CG-CE1 3.93Å; H357-Y359 AromaticContact CG-CE2 3.94Å; H357-Y359 AromaticContact CG-CZ 3.56Å; H357-Y359 PolarHBondContact NE2-OH 2.69Å; H357-Y359 PolarHBondContact O-N 2.84Å; H357-Y359 VanDerWaalsContact O-N 3.13Å; H357-C360 HydrophobicContact CB-CB 3.94Å; H357-C360 PolarHBondContact O-N 3.03Å; H357-L361 PolarHBondContact O-N 3.35Å
358T88.6Confident81.1Confident10 Ų1066.1 Ų66.16%0.06137%0.367CS..THydrogen-bonded Turntrans-47.2-41.5172.248.50000112.3K345 L347 L365K345-T358 PolarHBondContact O-N 2.85Å; K345-T358 PolarHBondContact O-OG1 3.47Å; L347-T358 HydrophobicContact CD1-CG2 4.08Å; L347-T358 HydrophobicContact CD2-CG2 4.28Å; L347-T358 HydrophobicContact CG-CG2 4.02Å; T358-L365 HydrophobicContact CG2-CB 4.34Å; T358-L365 PolarHBondContact O-N 3.38Å
359Y91.2Very high81Confident97 Ų9762.4 Ų62.438%0.3835%0.35SS..THydrogen-bonded Turntrans-82.9-14.4179.959.6-103.5000115.4D342 K345 H357D342-Y359 HydrophobicContact CB-CE1 4.09Å; K345-Y359 HydrophobicContact CB-CE1 4.28Å; K345-Y359 HydrophobicContact CD-CD1 4.49Å; K345-Y359 HydrophobicContact CD-CE1 4.32Å; H357-Y359 HydrophobicContact CB-CD1 4.1Å; H357-Y359 HydrophobicContact CB-CD2 4.07Å; H357-Y359 HydrophobicContact CB-CE1 3.91Å; H357-Y359 HydrophobicContact CB-CE2 3.85Å; H357-Y359 HydrophobicContact CB-CG 4.2Å; H357-Y359 AromaticContact CD2-CE1 3.7Å; H357-Y359 AromaticContact CD2-CZ 3.57Å; H357-Y359 PolarHBondContact CD2-OH 3.2Å; H357-Y359 AromaticContact CG-CE1 3.93Å; H357-Y359 AromaticContact CG-CE2 3.94Å; H357-Y359 AromaticContact CG-CZ 3.56Å; H357-Y359 PolarHBondContact NE2-OH 2.69Å; H357-Y359 PolarHBondContact O-N 2.84Å; H357-Y359 VanDerWaalsContact O-N 3.13Å
360C88.3Confident80.6Confident32 Ų3272 Ų7222%0.21639%0.394CS..THydrogen-bonded Turntrans-87.9-12.9173.8-72.30000113.1I336 H357I336-C360 HydrophobicContact CB-CB 4.22Å; I336-C360 HydrophobicContact CD1-CB 4.35Å; I336-C360 WeakPolarHBondContact CD1-O 3.27Å; I336-C360 HydrophobicContact CG2-CB 4.31Å; H357-C360 HydrophobicContact CB-CB 3.94Å; H357-C360 PolarHBondContact O-N 3.03Å
361L86.2Confident80.4Confident10 Ų1074 Ų745%0.05241%0.405CS..SBendtrans-65.9155.8173.6-65.3168.3000111.1L347 Y356 H357 P363 P364 L365 W374 P377L347-L361 HydrophobicContact CD1-CD1 4.27Å; Y356-L361 HydrophobicContact CD1-CD2 3.92Å; Y356-L361 HydrophobicContact CG-CD2 4.11Å; H357-L361 PolarHBondContact O-N 3.35Å; L361-P363 CarbonylContact C-O 3.32Å; L361-P363 CarbonylContact O-C 3.52Å; L361-P363 VanDerWaalsContact O-C 3.26Å; L361-P364 WeakPolarHBondContact O-CA 3.02Å; L361-P364 WeakPolarHBondContact O-CD 3.47Å; L361-P364 WeakPolarHBondContact O-CG 3.48Å; L361-L365 HydrophobicContact CD1-CD1 3.53Å; L361-L365 HydrophobicContact CD1-CG 3.78Å; L361-W374 HydrophobicContact CD1-CH2 4.29Å; L361-W374 HydrophobicContact CD1-CZ2 3.6Å; L361-W374 HydrophobicContact CD2-CH2 3.94Å; L361-W374 HydrophobicContact CD2-CZ2 3.77Å; L361-W374 HydrophobicContact CG-CZ2 4.34Å; L361-P377 HydrophobicContact CD2-CG 3.83Å
362N77.6Confident80.1Confident124 Ų12477.6 Ų77.666%0.66342%0.421SS*.SBendtrans-121.5117.4170.8-176.141.3000109.5
363P82.1Confident79.7Confident88 Ų8880.2 Ų80.257%0.57143%0.432SS*.SBendcis-65.4152.6-1130.1-35.9000112L361L361-P363 CarbonylContact C-O 3.32Å; L361-P363 CarbonylContact O-C 3.52Å; L361-P363 VanDerWaalsContact O-C 3.26Å
364P86.2Confident80.2Confident81 Ų8175.5 Ų75.553%0.52641%0.405SS..PPolyproline II helixtrans-57.8139.3174.1-28.536.8000112.8L361L361-P364 WeakPolarHBondContact O-CA 3.02Å; L361-P364 WeakPolarHBondContact O-CD 3.47Å; L361-P364 WeakPolarHBondContact O-CG 3.48Å
365L83.3Confident79.9Confident59 Ų5978 Ų7831%0.30941%0.413SS..PPolyproline II helixtrans-87.5135.1171.6-62.5-178.7000110.3L347 T358 L361 S367 P369L347-L365 HydrophobicContact CD1-CD1 3.72Å; T358-L365 HydrophobicContact CG2-CB 4.34Å; T358-L365 PolarHBondContact O-N 3.38Å; L361-L365 HydrophobicContact CD1-CD1 3.53Å; L361-L365 HydrophobicContact CD1-CG 3.78Å; L365-S367 VanDerWaalsContact C-N 3.35Å; L365-P369 HydrophobicContact CD1-CG 4.24Å
366T80.5Confident79.7Confident150 Ų15077.8 Ų77.892%0.9241%0.411SS*.SBendtrans-81.1-15179.550.90000113.8
367S80.5Confident79.1Confident76 Ų7680.3 Ų80.353%0.53143%0.429SS..SBendtrans-157.1166.6-179.262.70000109.4L365L365-S367 VanDerWaalsContact C-N 3.35Å
368I77Confident78.2Confident95 Ų9583.8 Ų83.849%0.48747%0.466SS..  trans-60.9140.8163.3-58.8175.6000108.3L347L347-I368 HydrophobicContact CD2-CB 4.3Å; L347-I368 HydrophobicContact CD2-CG1 4.15Å; L347-I368 HydrophobicContact CD2-CG2 3.82Å
369P78.4Confident77.3Confident39 Ų3984.4 Ų84.425%0.25347%0.47SS..  trans-63.9155.3171.5-22.334.5000113.4L347 L365L347-P369 HydrophobicContact CD1-CG 4.23Å; L365-P369 HydrophobicContact CD1-CG 4.24Å
370E69.1Low76Confident203 Ų20386 Ų8695%0.94948%0.476SS*.SBendtrans-91.2-5.4173.6-66171-169.100112.7
371D66.6Low74.4Confident129 Ų12990.4 Ų90.469%0.6950%0.497SS*.SBendtrans-77.6140.6179.3-59.4-72.3000111.1D373D371-D373 VanDerWaalsContact C-N 3.31Å; D371-D373 PolarHBondContact O-N 2.65Å
372E55.4Low72.4Confident198 Ų19893.2 Ų93.293%0.92551%0.512SS*.SBendtrans-67.5-25.2-180-67.1-17816100113.9
373D65.9Low70.6Confident100 Ų10093.3 Ų93.354%0.53552%0.517SS..  trans-110136.1174.6-59.9-24.4000110.6D371 Y375D371-D373 VanDerWaalsContact C-N 3.31Å; D371-D373 PolarHBondContact O-N 2.65Å; D373-Y375 HydrophobicContact CB-CD2 4.49Å; D373-Y375 HydrophobicContact CB-CE2 3.6Å; D373-Y375 PolarHBondContact OD2-OH 3.44Å
374W81.9Confident68.8Low33 Ų3393.3 Ų93.313%0.12552%0.519CS..  trans-127.6136.9168.3-176.978.7000114L347 C349 D350 Y356 L361 C376L347-W374 HydrophobicContact CB-CD2 3.89Å; L347-W374 HydrophobicContact CB-CE3 3.6Å; L347-W374 HydrophobicContact CB-CH2 4.14Å; L347-W374 HydrophobicContact CB-CZ2 4.41Å; L347-W374 HydrophobicContact CB-CZ3 3.72Å; L347-W374 HydrophobicContact CD1-CD2 3.86Å; L347-W374 HydrophobicContact CD1-CE3 4.42Å; L347-W374 HydrophobicContact CD1-CG 4.19Å; L347-W374 HydrophobicContact CD1-CZ2 4Å; C349-W374 WeakPolarHBondContact CA-O 3.37Å; C349-W374 HydrophobicContact CB-CE3 3.98Å; C349-W374 HydrophobicContact CB-CZ3 3.79Å; D350-W374 PolarHBondContact N-O 3.38Å; D350-W374 VanDerWaalsContact N-O 3.13Å; D350-W374 PolarHBondContact OD2-N 2.85Å; D350-W374 VanDerWaalsContact OD2-O 3.08Å; Y356-W374 AromaticContact CD2-CH2 3.69Å; Y356-W374 HydrophobicContact CD2-CH2 3.69Å; Y356-W374 AromaticContact CD2-CZ3 3.81Å; Y356-W374 HydrophobicContact CD2-CZ3 3.81Å; Y356-W374 AromaticContact CG-CH2 3.82Å; Y356-W374 HydrophobicContact CG-CH2 3.82Å; Y356-W374 HydrophobicContact CG-CZ3 4.35Å; L361-W374 HydrophobicContact CD1-CH2 4.29Å; L361-W374 HydrophobicContact CD1-CZ2 3.6Å; L361-W374 HydrophobicContact CD2-CH2 3.94Å; L361-W374 HydrophobicContact CD2-CZ2 3.77Å; L361-W374 HydrophobicContact CG-CZ2 4.34Å; W374-C376 VanDerWaalsContact CH2-CA 3.42Å; W374-C376 HydrophobicContact CH2-CB 3.52Å; W374-C376 HydrophobicContact CZ2-CB 4.31Å; W374-C376 HydrophobicContact CZ3-CB 3.77Å
375Y75.9Confident66.6Low90 Ų9097 Ų9735%0.35353%0.529SS..  trans-120.1126.2-179.3-58.2-93.1000111E351 D373 C379 R380E351-Y375 HydrophobicContact CB-CD1 4.1Å; E351-Y375 HydrophobicContact CB-CE1 4.16Å; D373-Y375 HydrophobicContact CB-CD2 4.49Å; D373-Y375 HydrophobicContact CB-CE2 3.6Å; D373-Y375 PolarHBondContact OD2-OH 3.44Å; Y375-C379 HydrophobicContact CD1-CB 4.42Å; Y375-R380 WeakPolarHBondContact O-CB 3.37Å
376C79.6Confident64.5Low1 Ų1100.6 Ų100.61%0.00755%0.554CS.*  trans-69.8162176.675.40000112.4C349 Y356 W374 G378 C379 R380C349-C376 HydrophobicContact CB-CB 3.82Å; C349-C376 PolarHBondContact SG-N 2.96Å; Y356-C376 HydrophobicContact CD2-CB 3.57Å; Y356-C376 HydrophobicContact CE1-CB 4.17Å; Y356-C376 HydrophobicContact CE2-CB 3.12Å; Y356-C376 HydrophobicContact CG-CB 4.28Å; Y356-C376 VanDerWaalsContact CZ-CB 3.47Å; Y356-C376 PolarHBondContact OH-SG 3.09Å; Y356-C376 VanDerWaalsContact OH-SG 3.41Å; W374-C376 VanDerWaalsContact CH2-CA 3.42Å; W374-C376 HydrophobicContact CH2-CB 3.52Å; W374-C376 HydrophobicContact CZ2-CB 4.31Å; W374-C376 HydrophobicContact CZ3-CB 3.77Å; C376-G378 PolarHBondContact O-N 3.14Å; C376-C379 PolarHBondContact O-N 3.43Å; C376-R380 WeakPolarHBondContact O-CB 3.44Å; C376-R380 PolarHBondContact O-N 2.86Å
377P76.4Confident62.1Low71 Ų7199 Ų9946%0.46154%0.543SS..THydrogen-bonded Turntrans-57.2-19.1-176.6-27.636.5000116.4L361L361-P377 HydrophobicContact CD2-CG 3.83Å
378G71.7Confident59.7Low74 Ų74103.2 Ų103.276%0.76356%0.559SS**THydrogen-bonded Turntrans-82.5-22.2173.800000115C376C376-G378 PolarHBondContact O-N 3.14Å
379C70.6Confident57.3Low23 Ų23104 Ų10416%0.15558%0.58CS.*THydrogen-bonded Turntrans-103.7-35.6179-72.10000111.7E351 Y375 C376 N381E351-C379 HydrophobicContact CB-CB 4.13Å; E351-C379 HydrophobicContact CG-CB 4.49Å; E351-C379 WeakPolarHBondContact OE2-CB 3.44Å; E351-C379 PolarHBondContact OE2-SG 3.16Å; Y375-C379 HydrophobicContact CD1-CB 4.42Å; C376-C379 PolarHBondContact O-N 3.43Å; C379-N381 PolarHBondContact O-N 3.44Å
380R63.8Low55.1Low131 Ų131105.9 Ų105.949%0.49461%0.606SS.*SBendtrans-69.1108.7177.7-170.4-173.8-156.8-131.411.5109.8Y375 C376 D382Y375-R380 WeakPolarHBondContact O-CB 3.37Å; C376-R380 WeakPolarHBondContact O-CB 3.44Å; C376-R380 PolarHBondContact O-N 2.86Å; R380-D382 VanDerWaalsContact C-N 3.26Å; R380-D382 IonicContact CZ-OD2 3.59Å; R380-D382 IonicContact NH1-OD2 2.65Å; R380-D382 PolarHBondContact NH1-OD2 2.92Å; R380-D382 PolarHBondContact O-N 3.32Å
381N52.8Low53.3Low123 Ų123104.4 Ų104.466%0.65860%0.599SS**  trans-68.585.7167.2-78-95.4000109.3C379C379-N381 PolarHBondContact O-N 3.44Å
382D44.2Very low51.5Low70 Ų70107.7 Ų107.737%0.37461%0.607SS.*  trans-64.8140.9179.4-151.2-65.4000111.1R380 S384R380-D382 VanDerWaalsContact C-N 3.26Å; R380-D382 IonicContact CZ-OD2 3.59Å; R380-D382 IonicContact NH1-OD2 2.65Å; R380-D382 PolarHBondContact NH1-OD2 2.92Å; R380-D382 PolarHBondContact O-N 3.32Å; D382-S384 WeakPolarHBondContact OD1-CB 3.42Å; D382-S384 PolarHBondContact OD1-N 2.88Å; D382-S384 PolarHBondContact OD1-OG 3.34Å
383T40.6Very low50.3Low126 Ų126106.6 Ų106.677%0.77361%0.607SS**SBendtrans-1067.8-175.152.50000113
384S44.8Very low48.6Very low88 Ų88111.5 Ų111.562%0.61562%0.623SS**SBendtrans-114-18.4-169.6660000117.2D382 V386D382-S384 WeakPolarHBondContact OD1-CB 3.42Å; D382-S384 PolarHBondContact OD1-N 2.88Å; D382-S384 PolarHBondContact OD1-OG 3.34Å; S384-V386 PolarHBondContact O-N 2.95Å
385E39.7Very low46.1Very low158 Ų158119.8 Ų119.874%0.73866%0.66SS**  trans-95.859-174.4-65.5-156.5140.600115.5
386V39.7Very low44Very low135 Ų135120.4 Ų120.482%0.81868%0.678SS**  trans-141.686.6157.8-169.90000111.3S384S384-V386 PolarHBondContact O-N 2.95Å
387V29.1Very low41.9Very low116 Ų116129.2 Ų129.270%0.70372%0.716SS**  trans-139121.3162.3-172.70000108.8
388L30.8Very low40.5Very low165 Ų165135.3 Ų135.386%0.86474%0.735SS**  trans-97.7169.3176.5-85.7166.7000112G390L388-G390 PolarHBondContact O-N 3.43Å
389A25.8Very low39Very low112 Ų112142 Ų14293%0.92674%0.744SS**THydrogen-bonded Turntrans-57126-162.800000114.8
390G33.9Very low37.1Very low78 Ų78144.6 Ų144.680%0.80477%0.766SS**THydrogen-bonded Turntrans155.5-38.416800000114.3L388L388-G390 PolarHBondContact O-N 3.43Å
391E31.2Very low36Very low172 Ų172149.3 Ų149.380%0.80478%0.784SS**PPolyproline II helixtrans-93.9141.5-171.6-60.8-153.6126.900114.1
392K28.3Very low35.3Very low198 Ų198150.3 Ų150.386%0.86179%0.786SS**PPolyproline II helixtrans-89.1131175.8-70.8-175.7177.5-179.80111K394K392-K394 PolarHBondContact O-N 3.48Å
393L28.7Very low34.9Very low175 Ų175152.2 Ų152.292%0.91681%0.812SS**PPolyproline II helixtrans-46.7131.5171.2-109.879.7000112
394K31.4Very low35Very low202 Ų202150.9 Ų150.988%0.87881%0.808SS**  trans-104.9137.1160.6-76.9-177.7177.1173.40109.5K392K392-K394 PolarHBondContact O-N 3.48Å
395K30Very low34.8Very low207 Ų207150.7 Ų150.790%0.981%0.812SS**  trans-61.9146.8-163-64.3-177.8177.1-176.50113.3
396S31.9Very low34.7Very low103 Ų103146.5 Ų146.572%0.7280%0.8SS**  trans-53.9137.3171.3177.60000112.6K398S396-K398 PolarHBondContact OG-N 3.08Å
397K34.6Very low35Very low186 Ų186146.4 Ų146.481%0.80981%0.805SS**  trans-133.171.5155.1-80.4-160.9172.3-171.10110K399 A400K397-K399 PolarHBondContact O-N 2.94Å; K397-A400 PolarHBondContact O-N 3.09Å
398K47.4Very low35.5Very low199 Ų199146.1 Ų146.187%0.86581%0.808SS**THydrogen-bonded Turntrans-61.976171.3-170.1-176.6-177.3-1750111.2S396S396-K398 PolarHBondContact OG-N 3.08Å
399K39.1Very low35.7Very low216 Ų216142.9 Ų142.994%0.93980%0.799SS**THydrogen-bonded Turntrans177.8-5159.4-105.5173-179.3-178.40115.2K397K397-K399 PolarHBondContact O-N 2.94Å
400A31.5Very low36.1Very low76 Ų76147 Ų14763%0.62880%0.799SS**SBendtrans-111.23.9-162.400000118.1K397K397-A400 PolarHBondContact O-N 3.09Å
401R41.7Very low36.3Very low230 Ų230153 Ų15387%0.86880%0.798SS**  trans-142.759.5-177.9-62.4-169.879.9-178.14.5114.3
402M36.6Very low36.6Very low144 Ų144152 Ų15271%0.70980%0.798SS**  trans-70144.2157-74.9179.469.800109.8S404 A405M402-S404 PolarHBondContact O-N 3.2Å; M402-A405 PolarHBondContact O-N 3.34Å
403A35.5Very low36.8Very low110 Ų110152.9 Ų152.991%0.90980%0.796SS**THydrogen-bonded Turntrans-72.519.4179.500000114.5
404S42.8Very low37.1Very low98 Ų98146.4 Ų146.469%0.68577%0.771SS**THydrogen-bonded Turntrans-104.8-11.3172.750.60000113.5M402M402-S404 PolarHBondContact O-N 3.2Å
405A42.1Very low37.8Very low85 Ų85145.6 Ų145.670%0.70277%0.768SS**SBendtrans-114.54.8-169.100000115.4M402M402-A405 PolarHBondContact O-N 3.34Å
406S36Very low38.9Very low70 Ų70137.5 Ų137.549%0.4974%0.744SS.*  trans-139.996.9174.465.30000111.4S408S406-S408 PolarHBondContact O-N 3.29Å
407S46.7Very low40.6Very low132 Ų132135.4 Ų135.492%0.92372%0.723SS**  trans-77.978.6-175.258.10000112.8
408S38.9Very low41.3Very low110 Ų110130.4 Ų130.477%0.76972%0.717SS**  trans-141-0.2173.360.30000115.7S406S406-S408 PolarHBondContact O-N 3.29Å
409S34.8Very low41.6Very low97 Ų97126.9 Ų126.968%0.67872%0.715SS**  trans-91.6102.3166.658.30000110.9R411S409-R411 PolarHBondContact O-N 2.67Å
410Q35.7Very low42.9Very low199 Ų199119.4 Ų119.493%0.9369%0.688SS**  trans-71.865.1164.8-77.5-168.6-29.300111
411R37.7Very low44.6Very low205 Ų205118 Ų11877%0.77468%0.68SS**  trans-13780.1166.9-71.9-169.5179.3178.61.1107.9S409 W413S409-R411 PolarHBondContact O-N 2.67Å; R411-W413 PolarHBondContact O-N 2.61Å
412D36.3Very low46Very low149 Ų149112.9 Ų112.980%0.79766%0.661SS**  trans-58.8118.1160.3178.525.7000107.9G414D412-G414 VanDerWaalsContact CG-N 3.34Å; D412-G414 PolarHBondContact O-N 3Å; D412-G414 WeakPolarHBondContact OD1-CA 3.36Å; D412-G414 PolarHBondContact OD1-N 3.18Å; D412-G414 WeakPolarHBondContact OD2-CA 3.36Å
413W34.4Very low47.8Very low217 Ų217111.7 Ų111.782%0.82266%0.662SS**  trans-76.1-9.1172.4-79.682000112R411R411-W413 PolarHBondContact O-N 2.61Å
414G34Very low49.6Very low39 Ų39112.9 Ų112.940%0.40265%0.647SS.*  trans83.3159.4165.700000114.2D412 G416D412-G414 VanDerWaalsContact CG-N 3.34Å; D412-G414 PolarHBondContact O-N 3Å; D412-G414 WeakPolarHBondContact OD1-CA 3.36Å; D412-G414 PolarHBondContact OD1-N 3.18Å; D412-G414 WeakPolarHBondContact OD2-CA 3.36Å; G414-G416 PolarHBondContact O-N 3.02Å
415K45.7Very low51.1Low185 Ų185113.6 Ų113.680%0.80464%0.639SS**SBendtrans-70.270.4163.1-57.7173.3-174.3171.20108.6
416G54.4Low52.9Low38 Ų38110 Ų11039%0.39261%0.609SS.*SBendtrans-135.3155.9-165.100000114.4G414 A418G414-G416 PolarHBondContact O-N 3.02Å; G416-A418 PolarHBondContact O-N 2.65Å
417M66.1Low54.9Low59 Ų59109 Ų10929%0.29160%0.6SS.*THydrogen-bonded Turntrans-70.815.9-173.8-58.9-58.5-63.700115.3V420 F448 V450 P624M417-V420 HydrophobicContact CE-CB 3.91Å; M417-V420 HydrophobicContact CE-CG1 3.66Å; M417-V420 HydrophobicContact CE-CG2 4.37Å; M417-V420 HydrophobicContact SD-CB 4.25Å; M417-V420 HydrophobicContact SD-CG1 4.24Å; M417-V420 HydrophobicContact SD-CG2 4.04Å; M417-F448 HydrophobicContact CB-CD1 3.91Å; M417-F448 HydrophobicContact CB-CE1 3.92Å; M417-F448 HydrophobicContact CB-CG 4.28Å; M417-F448 HydrophobicContact CB-CZ 4.28Å; M417-F448 HydrophobicContact CE-CD2 4.42Å; M417-F448 HydrophobicContact CG-CD1 4Å; M417-F448 HydrophobicContact CG-CD2 3.92Å; M417-F448 HydrophobicContact CG-CE1 3.8Å; M417-F448 HydrophobicContact CG-CE2 3.7Å; M417-F448 HydrophobicContact CG-CG 4.06Å; M417-F448 HydrophobicContact CG-CZ 3.63Å; M417-V450 HydrophobicContact CE-CG1 3.65Å; M417-P624 HydrophobicContact CE-CB 4.42Å; M417-P624 HydrophobicContact CE-CG 3.88Å; M417-P624 HydrophobicContact SD-CG 4.15Å
418A49.8Very low56.5Low81 Ų81103.6 Ų103.667%0.66956%0.561SS**THydrogen-bonded Turntrans-73.5-38.7-177.100000112.9G416G416-A418 PolarHBondContact O-N 2.65Å
419C54.3Low58.6Low124 Ų12498.5 Ų98.584%0.83853%0.525SS*.SBendtrans-117.216.9-176.4-55.80000112.8
420V66.4Low60.6Low60 Ų6095.7 Ų95.736%0.36450%0.504SS..  trans-84.8122.4-172.9175.10000110.9M417M417-V420 HydrophobicContact CE-CB 3.91Å; M417-V420 HydrophobicContact CE-CG1 3.66Å; M417-V420 HydrophobicContact CE-CG2 4.37Å; M417-V420 HydrophobicContact SD-CB 4.25Å; M417-V420 HydrophobicContact SD-CG1 4.24Å; M417-V420 HydrophobicContact SD-CG2 4.04Å
421G65.8Low62.7Low46 Ų4689 Ų8947%0.47448%0.479SS..  trans-72.1177.9172.600000113.2
422R72.8Confident64.8Low122 Ų12282.1 Ų82.146%0.4646%0.458SS..  trans-70.7137.3176.4-66.1172.2-75156.92.2110.3V450 S453 E454 H461R422-V450 HydrophobicContact CG-CG2 4.04Å; R422-S453 WeakPolarHBondContact CD-OG 3.23Å; R422-E454 HydrophobicContact CB-CG 4.26Å; R422-E454 HydrophobicContact CG-CG 4.39Å; R422-H461 WeakPolarHBondContact CG-NE2 3.43Å
423T72.7Confident67.3Low119 Ų11976 Ų7673%0.7343%0.425SS*.SBendtrans-86.1-21.117063.30000112.5E454T423-E454 WeakPolarHBondContact CB-OE1 3.2Å; T423-E454 PolarHBondContact N-OE1 2.72Å; T423-E454 PolarHBondContact OG1-OE1 3.17Å
424K73.3Confident70Confident135 Ų13567.9 Ų67.959%0.58740%0.396SS*.  trans-150.6166.317565178.5-174.1168.30112E454K424-E454 HydrophobicContact CG-CB 3.83Å; K424-E454 HydrophobicContact CG-CG 4Å; K424-E454 WeakPolarHBondContact O-CG 3.46Å
425Q76.2Confident72.8Confident113 Ų11366.3 Ų66.353%0.52838%0.379SS..  trans-123.5135.6175176.1161.4-5800110.1T427Q425-T427 PolarHBondContact O-N 2.68Å; Q425-T427 VanDerWaalsContact O-N 3.16Å
426C79.8Confident75.1Confident10 Ų1060.9 Ų60.97%0.06836%0.363CS..  trans-68.2109.9169.91770000109.9E454 R459C426-E454 WeakPolarHBondContact CB-O 3.3Å; C426-E454 PolarHBondContact N-O 3.41Å; C426-R459 PolarHBondContact O-NH1 3.44Å; C426-R459 PolarHBondContact O-NH2 2.94Å
427T77.9Confident77Confident48 Ų4859.2 Ų59.229%0.29435%0.345SS..  trans-99.7-17.9173.747.20000112.8Q425 V429 E722Q425-T427 PolarHBondContact O-N 2.68Å; Q425-T427 VanDerWaalsContact O-N 3.16Å; T427-V429 PolarHBondContact O-N 2.67Å; T427-E722 VanDerWaalsContact CB-OE1 3.3Å; T427-E722 WeakPolarHBondContact CB-OE1 3.36Å; T427-E722 HydrophobicContact CG2-CG 4.13Å; T427-E722 VanDerWaalsContact CG2-OE1 3.28Å; T427-E722 WeakPolarHBondContact CG2-OE1 3.45Å
428I79.9Confident77.9Confident20 Ų2057.1 Ų57.110%0.10334%0.336CS..SBendtrans-50.5-30.1178.1-50.5175.1000112.7P438 E712 F779 Y782I428-P438 HydrophobicContact CG2-CB 4.06Å; I428-P438 HydrophobicContact CG2-CG 4.13Å; I428-E712 WeakPolarHBondContact CD1-OE1 3.34Å; I428-E712 WeakPolarHBondContact CG1-OE1 3.3Å; I428-F779 HydrophobicContact CG2-CB 4.18Å; I428-F779 HydrophobicContact CG2-CD1 3.89Å; I428-F779 HydrophobicContact CG2-CG 4.39Å; I428-Y782 WeakPolarHBondContact O-CA 3.22Å; I428-Y782 WeakPolarHBondContact O-CB 3.38Å
429V82.6Confident79.6Confident3 Ų354.7 Ų54.72%0.01832%0.318CS..SBendtrans-144.3153.9173.3-68.80000109.8T427 H433 I437 P438 R459T427-V429 PolarHBondContact O-N 2.67Å; V429-H433 HydrophobicContact CB-CB 3.8Å; V429-H433 HydrophobicContact CG2-CB 3.9Å; V429-I437 HydrophobicContact CG2-CD1 3.73Å; V429-I437 HydrophobicContact CG2-CG2 4.3Å; V429-P438 HydrophobicContact CG1-CG 4.12Å; V429-R459 PolarHBondContact O-NH2 3.25Å
430P77.3Confident81.4Confident37 Ų3749.9 Ų49.924%0.2429%0.286CS..  trans-67.7172.3-177.529-38.4000113.4N432 H433 R459 N784P430-N432 VanDerWaalsContact C-N 3.35Å; P430-N432 PolarHBondContact O-N 3.13Å; P430-H433 HydrophobicContact CG-CB 4.2Å; P430-H433 WeakPolarHBondContact O-CB 3.28Å; P430-H433 PolarHBondContact O-N 3.15Å; P430-R459 VanDerWaalsContact C-NH2 3.34Å; P430-R459 PolarHBondContact O-NH2 2.78Å; P430-N784 WeakPolarHBondContact CD-O 3.25Å; P430-N784 HydrophobicContact CG-CB 4.07Å; P430-N784 VanDerWaalsContact CG-O 3.29Å; P430-N784 WeakPolarHBondContact CG-O 3.16Å
431S79.9Confident82.7Confident59 Ų5947.8 Ų47.841%0.41327%0.273SS..THydrogen-bonded Turntrans-63.4-39-176.456.60000113H433 H466S431-H433 VanDerWaalsContact C-N 3.33Å; S431-H433 PolarHBondContact O-N 3.09Å; S431-H466 PolarHBondContact O-CE1 2.86Å
432N81.3Confident84.2Confident61 Ų6145.8 Ų45.833%0.32625%0.251SS..THydrogen-bonded Turntrans-87.414.517865-31.7000114.6P430 H434 Y474P430-N432 VanDerWaalsContact C-N 3.35Å; P430-N432 PolarHBondContact O-N 3.13Å; N432-H434 PolarHBondContact O-N 3.33Å; N432-Y474 HydrophobicContact CB-CD1 4.46Å; N432-Y474 HydrophobicContact CB-CE1 3.66Å; N432-Y474 HydrophobicContact CB-CE2 4.19Å; N432-Y474 VanDerWaalsContact CB-CZ 3.5Å; N432-Y474 WeakPolarHBondContact CB-OH 3.46Å; N432-Y474 VanDerWaalsContact O-CD1 3.25Å; N432-Y474 WeakPolarHBondContact O-CD1 3.49Å; N432-Y474 WeakPolarHBondContact O-CE1 3.49Å
433H88.1Confident85.4Confident21 Ų2140 Ų4010%0.09723%0.23CC..  trans-61.8128.9-179.3179.169000112.6V429 P430 S431 P436 R550V429-H433 HydrophobicContact CB-CB 3.8Å; V429-H433 HydrophobicContact CG2-CB 3.9Å; P430-H433 HydrophobicContact CG-CB 4.2Å; P430-H433 WeakPolarHBondContact O-CB 3.28Å; P430-H433 PolarHBondContact O-N 3.15Å; S431-H433 VanDerWaalsContact C-N 3.33Å; S431-H433 PolarHBondContact O-N 3.09Å; H433-P436 PolarHBondContact CD2-O 2.9Å; H433-P436 PolarHBondContact NE2-O 3.09Å; H433-R550 PolarHBondContact O-NH1 3.34Å; H433-R550 PolarHBondContact O-NH2 3.46Å
434H92.1Very high86.5Confident45 Ų4534.9 Ų34.921%0.20820%0.199CC..  trans-99.2142.6174-86.7-76.6000111.4N432 D471 A473 Y474 P548N432-H434 PolarHBondContact O-N 3.33Å; H434-D471 IonicContact NE2-OD1 3.76Å; H434-A473 PolarHBondContact CE1-O 2.97Å; H434-Y474 AromaticContact CD2-CD1 3.75Å; H434-Y474 AromaticContact CD2-CE1 3.9Å; H434-Y474 AromaticContact CE1-CD1 3.72Å; H434-Y474 AromaticContact NE2-CD1 3.5Å; H434-Y474 WeakPolarHBondContact NE2-CD1 3.3Å; H434-Y474 AromaticContact NE2-CE1 3.53Å; H434-P548 HydrophobicContact CB-CG 4.08Å; H434-P548 PolarHBondContact ND1-O 2.9Å
435G93.3Very high87.6Confident6 Ų630 Ų306%0.06218%0.179CC..SBendtrans94.3-168.1-177.700000113.4R550G435-R550 WeakPolarHBondContact O-CD 3.45Å; G435-R550 WeakPolarHBondContact O-CG 3.48Å; G435-R550 PolarHBondContact O-NH1 3.1Å
436P94.2Very high88.5Confident71 Ų7125.7 Ų25.746%0.46116%0.158SC..PPolyproline II helixtrans-63.6158-177.8-22.634.4000113.2H433 I574H433-P436 PolarHBondContact CD2-O 2.9Å; H433-P436 PolarHBondContact NE2-O 3.09Å; P436-I574 HydrophobicContact CG-CD1 4.16Å; P436-I574 HydrophobicContact CG-CG1 3.9Å
437I92.8Very high89.2Confident4 Ų427.7 Ų27.72%0.02117%0.165CC..PPolyproline II helixtrans-90.5127.2166.4-49.5-60.8000108V429 V440 V457V429-I437 HydrophobicContact CG2-CD1 3.73Å; V429-I437 HydrophobicContact CG2-CG2 4.3Å; I437-V440 HydrophobicContact CB-CB 4.15Å; I437-V440 HydrophobicContact CB-CG2 4.02Å; I437-V440 HydrophobicContact CG2-CG2 3.95Å; I437-V440 PolarHBondContact O-N 2.6Å; I437-V440 VanDerWaalsContact O-N 3.15Å; I437-V457 HydrophobicContact CG1-CB 4.44Å; I437-V457 HydrophobicContact CG1-CG2 3.93Å
438P86.3Confident89.8Confident15 Ų1527.6 Ų27.610%0.09716%0.161CC..THydrogen-bonded Turntrans-55.9144.4174.4-24.434.2000112.1I428 V429 V440 F779 P780I428-P438 HydrophobicContact CG2-CB 4.06Å; I428-P438 HydrophobicContact CG2-CG 4.13Å; V429-P438 HydrophobicContact CG1-CG 4.12Å; P438-V440 PolarHBondContact O-N 2.93Å; P438-F779 HydrophobicContact CB-CB 4.33Å; P438-F779 HydrophobicContact CB-CD1 4.17Å; P438-P780 WeakPolarHBondContact CG-O 3.46Å
439G84.4Confident90.1Very high29 Ų2928.9 Ų28.930%0.29917%0.165SC..THydrogen-bonded Turntrans75.6-8.5-174.700000116P441G439-P441 WeakPolarHBondContact O-CD 3.46Å
440V92.7Very high90.2Very high24 Ų2429.3 Ų29.315%0.14517%0.167CC..  trans-114.783.5-175.1-168.40000112.2I437 P438 W446 V457 Y571I437-V440 HydrophobicContact CB-CB 4.15Å; I437-V440 HydrophobicContact CB-CG2 4.02Å; I437-V440 HydrophobicContact CG2-CG2 3.95Å; I437-V440 PolarHBondContact O-N 2.6Å; I437-V440 VanDerWaalsContact O-N 3.15Å; P438-V440 PolarHBondContact O-N 2.93Å; V440-W446 HydrophobicContact CG1-CH2 3.54Å; V440-W446 HydrophobicContact CG1-CZ2 3.58Å; V440-V457 HydrophobicContact CB-CG2 4.37Å; V440-V457 HydrophobicContact CG1-CG2 3.7Å; V440-Y571 HydrophobicContact CG1-CD1 4.48Å; V440-Y571 WeakPolarHBondContact O-CE1 3.4Å
441P94.1Very high90.8Very high16 Ų1628 Ų2810%0.10416%0.158CC..  trans-69.6157.3-179.129.2-36.5000113.1G439 G443 S444 L617 L619 P705G439-P441 WeakPolarHBondContact O-CD 3.46Å; P441-G443 PolarHBondContact O-N 3.44Å; P441-S444 VanDerWaalsContact O-CB 3.24Å; P441-S444 WeakPolarHBondContact O-CB 3.38Å; P441-S444 PolarHBondContact O-N 2.8Å; P441-S444 VanDerWaalsContact O-N 3.1Å; P441-S444 PolarHBondContact O-OG 3Å; P441-L617 HydrophobicContact CB-CD1 4.19Å; P441-L617 HydrophobicContact CG-CD1 4.31Å; P441-L619 HydrophobicContact CG-CD1 3.95Å; P441-L619 HydrophobicContact CG-CD2 3.99Å; P441-P705 HydrophobicContact CG-CB 4.28Å; P441-P705 HydrophobicContact CG-CG 4.2Å
442V97.7Very high91.5Very high3 Ų325.2 Ų25.22%0.01814%0.138CC..THydrogen-bonded Turntrans-57.8131.5170.1175.50000110.4Y571 G573 E602 P605 R613V442-Y571 HydrophobicContact CG2-CD1 4.21Å; V442-Y571 HydrophobicContact CG2-CE1 3.79Å; V442-G573 VanDerWaalsContact CG2-CA 3.43Å; V442-E602 WeakPolarHBondContact CA-OE2 3.46Å; V442-E602 HydrophobicContact CB-CB 3.93Å; V442-E602 WeakPolarHBondContact CB-OE2 3.13Å; V442-E602 HydrophobicContact CG2-CB 3.9Å; V442-E602 HydrophobicContact CG2-CG 4.26Å; V442-E602 VanDerWaalsContact CG2-OE2 3.28Å; V442-E602 WeakPolarHBondContact CG2-OE2 3.35Å; V442-E602 PolarHBondContact N-OE2 3.39Å; V442-P605 HydrophobicContact CG1-CG 3.63Å; V442-R613 PolarHBondContact O-NH1 2.79Å
443G96.3Very high91.9Very high0 Ų022.4 Ų22.40%012%0.123CC..THydrogen-bonded Turntrans96.5-3.9-170.900000114.7P441 Y571P441-G443 PolarHBondContact O-N 3.44Å; G443-Y571 PolarHBondContact N-O 3.47Å
444S96.6Very high91.9Very high13 Ų1322.4 Ų22.49%0.09112%0.124CC..  trans-57.4140168.8-66.40000111.7P441 W446 R570 Y571P441-S444 VanDerWaalsContact O-CB 3.24Å; P441-S444 WeakPolarHBondContact O-CB 3.38Å; P441-S444 PolarHBondContact O-N 2.8Å; P441-S444 VanDerWaalsContact O-N 3.1Å; P441-S444 PolarHBondContact O-OG 3Å; S444-W446 WeakPolarHBondContact O-CZ3 3.44Å; S444-R570 VanDerWaalsContact O-CA 3.3Å; S444-R570 WeakPolarHBondContact O-CA 3.45Å; S444-Y571 PolarHBondContact O-N 3.44Å
445L95.9Very high91.8Very high32 Ų3221.1 Ų21.117%0.16812%0.12CC..EExtended strand (participates in β ladder)trans-131.6131.3-166.8-75.9156.4000112.3P565 N569 R570 M621 Q622L445-P565 HydrophobicContact CD2-CB 4.38Å; L445-N569 CarbonylContact C-O 3.6Å; L445-N569 WeakPolarHBondContact CA-O 3.26Å; L445-R570 HydrophobicContact CD2-CB 3.7Å; L445-R570 HydrophobicContact CD2-CG 3.68Å; L445-R570 HydrophobicContact CG-CG 4.07Å; L445-M621 HydrophobicContact CB-CE 4.14Å; L445-M621 HydrophobicContact CB-SD 4.13Å; L445-M621 HydrophobicContact CD2-CE 3.91Å; L445-Q622 WeakPolarHBondContact O-CB 3.43Å; L445-Q622 WeakPolarHBondContact O-CG 3.47Å; L445-Q622 PolarHBondContact O-N 2.86Å
446W96.6Very high91.6Very high22 Ų2220.8 Ų20.88%0.08312%0.118CC..EExtended strand (participates in β ladder)trans-136.9137.8176-50.3-99000112.7V440 S444 F448 Q451 V452 A455 V457 G568 N569 Q622V440-W446 HydrophobicContact CG1-CH2 3.54Å; V440-W446 HydrophobicContact CG1-CZ2 3.58Å; S444-W446 WeakPolarHBondContact O-CZ3 3.44Å; W446-F448 PolarHBondContact O-N 3.43Å; W446-Q451 HydrophobicContact CB-CB 3.84Å; W446-Q451 HydrophobicContact CG-CB 4.04Å; W446-V452 HydrophobicContact CB-CG2 4.03Å; W446-V452 HydrophobicContact CD2-CG2 4.17Å; W446-V452 HydrophobicContact CE3-CG2 3.96Å; W446-V452 HydrophobicContact CG-CG2 4.26Å; W446-A455 HydrophobicContact CZ2-CB 3.79Å; W446-V457 HydrophobicContact CH2-CG2 3.87Å; W446-V457 HydrophobicContact CZ2-CG2 4.24Å; W446-G568 CarbonylContact O-C 3.44Å; W446-G568 WeakPolarHBondContact O-CA 3.49Å; W446-N569 PolarHBondContact N-O 3.5Å; W446-N569 PolarHBondContact O-N 2.76Å; W446-N569 PolarHBondContact O-ND2 3.49Å; W446-Q622 HydrophobicContact CG-CB 4.41Å
447K93.6Very high91.8Very high52 Ų5217.4 Ų17.423%0.22610%0.096CC..SBendtrans-65.2-40.1-176.9-179.564.2177-177.20112.7E567 N569 M621 Q622 Y623K447-E567 HydrophobicContact CD-CG 4.01Å; K447-E567 IonicContact NZ-OE1 2.63Å; K447-E567 PolarHBondContact NZ-OE1 3.25Å; K447-N569 PolarHBondContact O-ND2 3.03Å; K447-M621 HydrophobicContact CB-CG 4.44Å; K447-M621 HydrophobicContact CB-SD 4.24Å; K447-M621 PolarHBondContact N-SD 2.93Å; K447-Q622 PolarHBondContact N-O 2.76Å; K447-Y623 HydrophobicContact CB-CD1 3.74Å; K447-Y623 HydrophobicContact CB-CE1 3.96Å; K447-Y623 HydrophobicContact CB-CG 4.48Å; K447-Y623 HydrophobicContact CD-CD1 4.37Å; K447-Y623 HydrophobicContact CD-CE1 3.84Å; K447-Y623 HydrophobicContact CG-CD1 3.8Å; K447-Y623 HydrophobicContact CG-CE1 3.8Å
448F89.5Confident92Very high47 Ų4717.2 Ų17.221%0.20610%0.095CC..SBendtrans-124.4151.7-174.7-59.9-76.9000113.6M417 W446 V450 Q451 P624 Y627M417-F448 HydrophobicContact CB-CD1 3.91Å; M417-F448 HydrophobicContact CB-CE1 3.92Å; M417-F448 HydrophobicContact CB-CG 4.28Å; M417-F448 HydrophobicContact CB-CZ 4.28Å; M417-F448 HydrophobicContact CE-CD2 4.42Å; M417-F448 HydrophobicContact CG-CD1 4Å; M417-F448 HydrophobicContact CG-CD2 3.92Å; M417-F448 HydrophobicContact CG-CE1 3.8Å; M417-F448 HydrophobicContact CG-CE2 3.7Å; M417-F448 HydrophobicContact CG-CG 4.06Å; M417-F448 HydrophobicContact CG-CZ 3.63Å; W446-F448 PolarHBondContact O-N 3.43Å; F448-V450 VanDerWaalsContact C-N 3.29Å; F448-V450 HydrophobicContact CB-CG1 4.07Å; F448-V450 PolarHBondContact O-N 3.12Å; F448-Q451 WeakPolarHBondContact O-CB 3.36Å; F448-Q451 PolarHBondContact O-N 3.2Å; F448-Q451 VanDerWaalsContact O-N 3.12Å; F448-P624 HydrophobicContact CD2-CG 3.56Å; F448-P624 HydrophobicContact CE2-CG 3.86Å; F448-Y627 HydrophobicContact CE2-CD2 4.12Å; F448-Y627 HydrophobicContact CE2-CE1 4.26Å; F448-Y627 AromaticContact CE2-CE2 3.8Å; F448-Y627 HydrophobicContact CE2-CE2 3.8Å; F448-Y627 HydrophobicContact CE2-CG 4.49Å; F448-Y627 AromaticContact CE2-CZ 3.88Å; F448-Y627 HydrophobicContact CZ-CD2 4.45Å; F448-Y627 HydrophobicContact CZ-CE1 4.46Å; F448-Y627 AromaticContact CZ-CE2 3.71Å; F448-Y627 HydrophobicContact CZ-CE2 3.71Å; F448-Y627 AromaticContact CZ-CZ 3.72Å
449R87.2Confident92.1Very high47 Ų4718 Ų1818%0.17710%0.095CC..Hα-helixtrans-58.5-34.6179.4-81-74.6-62.1-86.6-2113.9Q451 V452 S453 H458 P460 H461 V462 A463R449-Q451 VanDerWaalsContact C-N 3.27Å; R449-Q451 PolarHBondContact O-N 3.06Å; R449-V452 WeakPolarHBondContact O-CB 3.44Å; R449-V452 PolarHBondContact O-N 2.77Å; R449-V452 VanDerWaalsContact O-N 3.13Å; R449-S453 PolarHBondContact O-N 3.22Å; R449-H458 PolarHBondContact NH2-CD2 2.76Å; R449-H458 VanDerWaalsContact NH2-CD2 3.31Å; R449-H458 PolarHBondContact NH2-NE2 3.22Å; R449-P460 PolarHBondContact NH2-O 2.86Å; R449-H461 VanDerWaalsContact CB-O 3.27Å; R449-H461 WeakPolarHBondContact CB-O 3.22Å; R449-H461 PolarHBondContact NE-O 2.86Å; R449-H461 PolarHBondContact NH2-O 2.87Å; R449-V462 PolarHBondContact NH1-O 3.04Å; R449-V462 VanDerWaalsContact NH2-C 3.31Å; R449-V462 PolarHBondContact NH2-O 2.85Å; R449-A463 PolarHBondContact NH2-O 3.31Å
450V83.8Confident92.2Very high11 Ų1118 Ų187%0.0679%0.09CC..Hα-helixtrans-57.9-39.4175.760.30000111.8M417 R422 F448 V452 S453 E454M417-V450 HydrophobicContact CE-CG1 3.65Å; R422-V450 HydrophobicContact CG-CG2 4.04Å; F448-V450 VanDerWaalsContact C-N 3.29Å; F448-V450 HydrophobicContact CB-CG1 4.07Å; F448-V450 PolarHBondContact O-N 3.12Å; V450-V452 VanDerWaalsContact C-N 3.31Å; V450-V452 PolarHBondContact O-N 2.96Å; V450-S453 CarbonylContact O-C 3.55Å; V450-S453 WeakPolarHBondContact O-CA 3.36Å; V450-S453 VanDerWaalsContact O-CB 3.29Å; V450-S453 WeakPolarHBondContact O-CB 3.23Å; V450-S453 PolarHBondContact O-N 2.88Å; V450-E454 HydrophobicContact CG2-CG 4.4Å; V450-E454 WeakPolarHBondContact O-CG 3.24Å; V450-E454 PolarHBondContact O-N 3.05Å
451Q91Very high91.5Very high10 Ų1020 Ų205%0.04710%0.098CC..Hα-helixtrans-69.5-28.7178.9-57.7171-90.200112.9W446 F448 R449 S453 E454 A455 Q622 Y623W446-Q451 HydrophobicContact CB-CB 3.84Å; W446-Q451 HydrophobicContact CG-CB 4.04Å; F448-Q451 WeakPolarHBondContact O-CB 3.36Å; F448-Q451 PolarHBondContact O-N 3.2Å; F448-Q451 VanDerWaalsContact O-N 3.12Å; R449-Q451 VanDerWaalsContact C-N 3.27Å; R449-Q451 PolarHBondContact O-N 3.06Å; Q451-S453 VanDerWaalsContact C-N 3.27Å; Q451-E454 WeakPolarHBondContact CA-OE2 3.13Å; Q451-A455 VanDerWaalsContact O-CB 3.31Å; Q451-A455 WeakPolarHBondContact O-CB 3.28Å; Q451-A455 PolarHBondContact O-N 3.15Å; Q451-Q622 VanDerWaalsContact NE2-C 3.27Å; Q451-Q622 PolarHBondContact NE2-O 3.11Å; Q451-Q622 PolarHBondContact OE1-O 3.42Å; Q451-Y623 PolarHBondContact NE2-O 3.26Å
452V94.1Very high90.7Very high0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-71.4-25.9173-168.20000111.1W446 R449 V450 V457 H458 V552 N569W446-V452 HydrophobicContact CB-CG2 4.03Å; W446-V452 HydrophobicContact CD2-CG2 4.17Å; W446-V452 HydrophobicContact CE3-CG2 3.96Å; W446-V452 HydrophobicContact CG-CG2 4.26Å; R449-V452 WeakPolarHBondContact O-CB 3.44Å; R449-V452 PolarHBondContact O-N 2.77Å; R449-V452 VanDerWaalsContact O-N 3.13Å; V450-V452 VanDerWaalsContact C-N 3.31Å; V450-V452 PolarHBondContact O-N 2.96Å; V452-V457 HydrophobicContact CG1-CB 4.02Å; V452-V457 HydrophobicContact CG1-CG1 4.32Å; V452-V457 PolarHBondContact O-N 2.98Å; V452-H458 CarbonylContact C-O 3.36Å; V452-H458 HydrophobicContact CG1-CB 3.96Å; V452-H458 PolarHBondContact O-N 3.12Å; V452-H458 VanDerWaalsContact O-N 3.14Å; V452-V552 HydrophobicContact CG1-CG1 4.36Å; V452-V552 HydrophobicContact CG1-CG2 4.01Å; V452-N569 HydrophobicContact CG2-CB 3.87Å
453S89.8Confident90Very high2 Ų225.2 Ų25.21%0.01413%0.134CC..Hα-helixtrans-80.5-43.9172.5176.60000112.5R422 R449 V450 Q451 A455 G456 H458 R459R422-S453 WeakPolarHBondContact CD-OG 3.23Å; R449-S453 PolarHBondContact O-N 3.22Å; V450-S453 CarbonylContact O-C 3.55Å; V450-S453 WeakPolarHBondContact O-CA 3.36Å; V450-S453 VanDerWaalsContact O-CB 3.29Å; V450-S453 WeakPolarHBondContact O-CB 3.23Å; V450-S453 PolarHBondContact O-N 2.88Å; Q451-S453 VanDerWaalsContact C-N 3.27Å; S453-A455 PolarHBondContact O-N 2.87Å; S453-G456 PolarHBondContact O-N 3.21Å; S453-H458 VanDerWaalsContact CA-O 3.29Å; S453-H458 WeakPolarHBondContact CA-O 3.49Å; S453-H458 PolarHBondContact N-O 2.99Å; S453-R459 WeakPolarHBondContact CB-O 3.26Å; S453-R459 WeakPolarHBondContact OG-CA 3.48Å; S453-R459 PolarHBondContact OG-O 3.35Å
454E87.2Confident89.6Confident22 Ų2226.3 Ų26.310%0.10315%0.145CC..Hα-helixtrans-55.2-37.2171-70.4172.4162.400111.6R422 T423 K424 C426 V450 Q451 G456R422-E454 HydrophobicContact CB-CG 4.26Å; R422-E454 HydrophobicContact CG-CG 4.39Å; T423-E454 WeakPolarHBondContact CB-OE1 3.2Å; T423-E454 PolarHBondContact N-OE1 2.72Å; T423-E454 PolarHBondContact OG1-OE1 3.17Å; K424-E454 HydrophobicContact CG-CB 3.83Å; K424-E454 HydrophobicContact CG-CG 4Å; K424-E454 WeakPolarHBondContact O-CG 3.46Å; C426-E454 WeakPolarHBondContact CB-O 3.3Å; C426-E454 PolarHBondContact N-O 3.41Å; V450-E454 HydrophobicContact CG2-CG 4.4Å; V450-E454 WeakPolarHBondContact O-CG 3.24Å; V450-E454 PolarHBondContact O-N 3.05Å; Q451-E454 WeakPolarHBondContact CA-OE2 3.13Å; E454-G456 VanDerWaalsContact C-N 3.29Å; E454-G456 PolarHBondContact O-N 3.49Å
455A91.3Very high89.4Confident17 Ų1725.8 Ų25.814%0.1414%0.142CC..THydrogen-bonded Turntrans-81.65.5174.800000114.6W446 Q451 S453 V457W446-A455 HydrophobicContact CZ2-CB 3.79Å; Q451-A455 VanDerWaalsContact O-CB 3.31Å; Q451-A455 WeakPolarHBondContact O-CB 3.28Å; Q451-A455 PolarHBondContact O-N 3.15Å; S453-A455 PolarHBondContact O-N 2.87Å; A455-V457 HydrophobicContact CB-CG2 4.32Å; A455-V457 PolarHBondContact O-N 3.04Å
456G89.7Confident89.4Confident0 Ų025.5 Ų25.50%014%0.14CC..SBendtrans70.9-18.3177.900000116.2S453 E454 H458S453-G456 PolarHBondContact O-N 3.21Å; E454-G456 VanDerWaalsContact C-N 3.29Å; E454-G456 PolarHBondContact O-N 3.49Å; G456-H458 VanDerWaalsContact C-N 3.34Å; G456-H458 PolarHBondContact O-N 3.28Å
457V96.6Very high88.8Confident0 Ų025 Ų250%014%0.141CC..SBendtrans-55.3-47.7-174.9-178.10000111.4I437 V440 W446 V452 A455 S475 R550 V552 Y571I437-V457 HydrophobicContact CG1-CB 4.44Å; I437-V457 HydrophobicContact CG1-CG2 3.93Å; V440-V457 HydrophobicContact CB-CG2 4.37Å; V440-V457 HydrophobicContact CG1-CG2 3.7Å; W446-V457 HydrophobicContact CH2-CG2 3.87Å; W446-V457 HydrophobicContact CZ2-CG2 4.24Å; V452-V457 HydrophobicContact CG1-CB 4.02Å; V452-V457 HydrophobicContact CG1-CG1 4.32Å; V452-V457 PolarHBondContact O-N 2.98Å; A455-V457 HydrophobicContact CB-CG2 4.32Å; A455-V457 PolarHBondContact O-N 3.04Å; V457-S475 WeakPolarHBondContact O-CB 3.16Å; V457-S475 PolarHBondContact O-OG 2.83Å; V457-R550 HydrophobicContact CG1-CB 4.44Å; V457-R550 PolarHBondContact O-NE 2.83Å; V457-V552 HydrophobicContact CG1-CG2 3.61Å; V457-Y571 HydrophobicContact CG1-CD2 3.73Å; V457-Y571 HydrophobicContact CG1-CE2 4.31Å; V457-Y571 HydrophobicContact CG1-CG 4.1Å
458H97Very high88.1Confident0 Ų028.7 Ų28.70%015%0.153CC..  trans-145.199.7174.6-174.987.2000110.7R449 V452 S453 G456 P460 A463 G464 I465 H466 S475 V477 V552R449-H458 PolarHBondContact NH2-CD2 2.76Å; R449-H458 VanDerWaalsContact NH2-CD2 3.31Å; R449-H458 PolarHBondContact NH2-NE2 3.22Å; V452-H458 CarbonylContact C-O 3.36Å; V452-H458 HydrophobicContact CG1-CB 3.96Å; V452-H458 PolarHBondContact O-N 3.12Å; V452-H458 VanDerWaalsContact O-N 3.14Å; S453-H458 VanDerWaalsContact CA-O 3.29Å; S453-H458 WeakPolarHBondContact CA-O 3.49Å; S453-H458 PolarHBondContact N-O 2.99Å; G456-H458 VanDerWaalsContact C-N 3.34Å; G456-H458 PolarHBondContact O-N 3.28Å; H458-P460 PolarHBondContact CD2-O 3.37Å; H458-P460 VanDerWaalsContact CD2-O 3.29Å; H458-P460 WeakPolarHBondContact NE2-CB 3.38Å; H458-A463 PolarHBondContact NE2-O 2.86Å; H458-G464 PolarHBondContact CE1-O 2.75Å; H458-I465 WeakPolarHBondContact CE1-CA 3.11Å; H458-I465 PolarHBondContact CE1-N 3.34Å; H458-I465 PolarHBondContact CE1-O 2.84Å; H458-I465 VanDerWaalsContact CE1-O 3.26Å; H458-H466 PolarHBondContact CE1-N 2.75Å; H458-S475 WeakPolarHBondContact CA-OG 3.41Å; H458-S475 PolarHBondContact CE1-O 2.84Å; H458-S475 PolarHBondContact ND1-OG 2.86Å; H458-V477 HydrophobicContact CB-CG2 4.34Å; H458-V477 VanDerWaalsContact CD2-CG2 3.49Å; H458-V477 WeakPolarHBondContact CD2-CG2 3.43Å; H458-V552 HydrophobicContact CB-CG2 4.45Å
459R89.2Confident88Confident30 Ų3028.9 Ų28.911%0.11316%0.16CC..  trans-69.2-31.5-168.9-58.1-172.8-171.7-111.78.1115.6C426 V429 P430 S453C426-R459 PolarHBondContact O-NH1 3.44Å; C426-R459 PolarHBondContact O-NH2 2.94Å; V429-R459 PolarHBondContact O-NH2 3.25Å; P430-R459 VanDerWaalsContact C-NH2 3.34Å; P430-R459 PolarHBondContact O-NH2 2.78Å; S453-R459 WeakPolarHBondContact CB-O 3.26Å; S453-R459 WeakPolarHBondContact OG-CA 3.48Å; S453-R459 PolarHBondContact OG-O 3.35Å
460P85.6Confident87.7Confident29 Ų2932.9 Ų32.919%0.18819%0.185CC..  trans-66.8135174.5-24.234.7000112.6R449 H458 A463 H466R449-P460 PolarHBondContact NH2-O 2.86Å; H458-P460 PolarHBondContact CD2-O 3.37Å; H458-P460 VanDerWaalsContact CD2-O 3.29Å; H458-P460 WeakPolarHBondContact NE2-CB 3.38Å; P460-A463 HydrophobicContact CB-CB 3.99Å; P460-H466 VanDerWaalsContact CD-CB 3.49Å; P460-H466 VanDerWaalsContact CD-CD2 3.5Å; P460-H466 WeakPolarHBondContact CD-CD2 3.37Å; P460-H466 VanDerWaalsContact CD-CG 3.42Å; P460-H466 HydrophobicContact CG-CB 3.66Å
461H78.2Confident87.8Confident66 Ų6634.1 Ų34.131%0.30619%0.192SC..SBendtrans-73.5-32.7177.5-71.9-163.8000113R422 R449R422-H461 WeakPolarHBondContact CG-NE2 3.43Å; R449-H461 VanDerWaalsContact CB-O 3.27Å; R449-H461 WeakPolarHBondContact CB-O 3.22Å; R449-H461 PolarHBondContact NE-O 2.86Å; R449-H461 PolarHBondContact NH2-O 2.87Å
462V78.2Confident87.8Confident81 Ų8133.7 Ų33.749%0.49119%0.189SC..SBendtrans-115.9-57.8-172.9-177.60000111.9R449 R507R449-V462 PolarHBondContact NH1-O 3.04Å; R449-V462 VanDerWaalsContact NH2-C 3.31Å; R449-V462 PolarHBondContact NH2-O 2.85Å; V462-R507 HydrophobicContact CG1-CB 4.01Å; V462-R507 HydrophobicContact CG1-CG 4.4Å
463A82.3Confident87.9Confident48 Ų4833.7 Ų33.740%0.39719%0.189SC..  trans-51.7145.4-171.300000113.9R449 H458 P460R449-A463 PolarHBondContact NH2-O 3.31Å; H458-A463 PolarHBondContact NE2-O 2.86Å; P460-A463 HydrophobicContact CB-CB 3.99Å
464G88.9Confident88.2Confident23 Ų2333.8 Ų33.824%0.23719%0.189CC..SBendtrans-69.9-37.1-18000000113.2H458 L476 V477 Y494H458-G464 PolarHBondContact CE1-O 2.75Å; G464-L476 CarbonylContact O-C 3.46Å; G464-L476 WeakPolarHBondContact O-CA 3.03Å; G464-L476 WeakPolarHBondContact O-CB 3.29Å; G464-V477 PolarHBondContact O-N 3.49Å; G464-Y494 WeakPolarHBondContact CA-OH 3.41Å; G464-Y494 PolarHBondContact O-OH 3.29Å
465I92.8Very high88.7Confident3 Ų332.7 Ų32.72%0.01519%0.185CC..EExtended strand (participates in β ladder)trans-111.7150.2-177.8-59.2166.9000109.5H458 A473 L476 Y494 M520 L524H458-I465 WeakPolarHBondContact CE1-CA 3.11Å; H458-I465 PolarHBondContact CE1-N 3.34Å; H458-I465 PolarHBondContact CE1-O 2.84Å; H458-I465 VanDerWaalsContact CE1-O 3.26Å; I465-A473 HydrophobicContact CG2-CB 3.94Å; I465-L476 HydrophobicContact CG1-CB 4.4Å; I465-Y494 HydrophobicContact CD1-CE1 4.04Å; I465-Y494 HydrophobicContact CG1-CE1 3.74Å; I465-M520 HydrophobicContact CB-CB 3.95Å; I465-M520 HydrophobicContact CB-CG 4.38Å; I465-M520 HydrophobicContact CD1-CB 4.21Å; I465-M520 HydrophobicContact CG2-CB 3.94Å; I465-M520 HydrophobicContact CG2-CG 4.48Å; I465-M520 HydrophobicContact CG2-SD 4.37Å; I465-L524 HydrophobicContact CD1-CB 4.39Å; I465-L524 HydrophobicContact CD1-CD2 3.93Å; I465-L524 HydrophobicContact CG1-CD2 4.44Å
466H94.3Very high89.1Confident26 Ų2631.9 Ų31.912%0.1218%0.178CC..EExtended strand (participates in β ladder)trans-126.5118169.6177.6-138.1000108.5S431 H458 P460 A473 Y474 S475S431-H466 PolarHBondContact O-CE1 2.86Å; H458-H466 PolarHBondContact CE1-N 2.75Å; P460-H466 VanDerWaalsContact CD-CB 3.49Å; P460-H466 VanDerWaalsContact CD-CD2 3.5Å; P460-H466 WeakPolarHBondContact CD-CD2 3.37Å; P460-H466 VanDerWaalsContact CD-CG 3.42Å; P460-H466 HydrophobicContact CG-CB 3.66Å; H466-A473 CarbonylContact O-C 3.51Å; H466-A473 WeakPolarHBondContact O-CA 3.33Å; H466-Y474 AromaticContact CE1-CD2 3.59Å; H466-Y474 AromaticContact ND1-CD2 3.68Å; H466-Y474 AromaticContact NE2-CD2 3.92Å; H466-Y474 PolarHBondContact O-N 2.8Å; H466-S475 VanDerWaalsContact CB-OG 3.31Å; H466-S475 WeakPolarHBondContact CB-OG 3.45Å; H466-S475 PolarHBondContact N-O 3.4Å; H466-S475 PolarHBondContact ND1-OG 2.99Å; H466-S475 PolarHBondContact O-N 3.13Å
467G85Confident89.4Confident10 Ų1032 Ų3210%0.10318%0.179CC..EExtended strand (participates in β ladder)trans-171.7-179.8-176.200000113.3G472 M520G467-G472 CarbonylContact C-O 3.54Å; G467-G472 WeakPolarHBondContact CA-O 3.47Å; G467-M520 WeakPolarHBondContact O-CE 3.35Å
468R78.3Confident89.4Confident131 Ų13132.3 Ų32.349%0.49418%0.18SC..EExtended strand (participates in β ladder)trans-126.5139.7165.9-68.7177.8170.7170.4-7.8109.7N470 D471 G472 Y474 A523R468-N470 WeakPolarHBondContact CB-OD1 3.49Å; R468-N470 PolarHBondContact O-N 2.91Å; R468-N470 VanDerWaalsContact O-N 3.15Å; R468-D471 HydrophobicContact CB-CB 4.27Å; R468-D471 PolarHBondContact O-N 2.98Å; R468-D471 VanDerWaalsContact O-N 3.17Å; R468-G472 PolarHBondContact N-O 3.49Å; R468-G472 PolarHBondContact O-N 3.47Å; R468-Y474 WeakPolarHBondContact CD-OH 3.35Å; R468-Y474 HydrophobicContact CG-CE2 4.4Å; R468-Y474 WeakPolarHBondContact CG-OH 3.43Å; R468-A523 VanDerWaalsContact O-CB 3.28Å; R468-A523 WeakPolarHBondContact O-CB 3.49Å
469S86.8Confident89.1Confident51 Ų5133.5 Ų33.536%0.35719%0.19SC..THydrogen-bonded Turntrans-68.4-10-173.1500000115.4H519 R522 L526S469-H519 WeakPolarHBondContact CB-O 3.32Å; S469-R522 PolarHBondContact O-NH1 3.42Å; S469-L526 VanDerWaalsContact O-CD1 3.26Å; S469-L526 WeakPolarHBondContact O-CD1 3.41Å
470N82.4Confident88.7Confident130 Ų13033.7 Ų33.770%0.69520%0.201SC*.THydrogen-bonded Turntrans-109.5-8.3177.560.9-12.2000113.8R468R468-N470 WeakPolarHBondContact CB-OD1 3.49Å; R468-N470 PolarHBondContact O-N 2.91Å; R468-N470 VanDerWaalsContact O-N 3.15Å
471D85.4Confident88.3Confident38 Ų3834 Ų3420%0.20321%0.21CC..THydrogen-bonded Turntrans-121.4-71.7-177.517617.9000111.1H434 R468 Y474 K547H434-D471 IonicContact NE2-OD1 3.76Å; R468-D471 HydrophobicContact CB-CB 4.27Å; R468-D471 PolarHBondContact O-N 2.98Å; R468-D471 VanDerWaalsContact O-N 3.17Å; D471-Y474 WeakPolarHBondContact OD2-CE1 3.39Å; D471-Y474 PolarHBondContact OD2-OH 3.16Å; D471-K547 PolarHBondContact O-NZ 2.75Å; D471-K547 IonicContact OD1-NZ 3.51Å; D471-K547 PolarHBondContact OD1-NZ 2.91Å
472G91Very high88.5Confident0 Ų032.9 Ų32.90%020%0.203CC..EExtended strand (participates in β ladder)trans170.3174.5-176.500000113G467 R468 A523G467-G472 CarbonylContact C-O 3.54Å; G467-G472 WeakPolarHBondContact CA-O 3.47Å; R468-G472 PolarHBondContact N-O 3.49Å; R468-G472 PolarHBondContact O-N 3.47Å; G472-A523 CarbonylContact C-O 3.56Å; G472-A523 VanDerWaalsContact CA-O 3.29Å; G472-A523 WeakPolarHBondContact CA-O 3.35Å
473A96.5Very high88.8Confident0 Ų032 Ų320%019%0.194CC..EExtended strand (participates in β ladder)trans-89.9126.416700000111.3H434 I465 H466 A523 L524 N527H434-A473 PolarHBondContact CE1-O 2.97Å; I465-A473 HydrophobicContact CG2-CB 3.94Å; H466-A473 CarbonylContact O-C 3.51Å; H466-A473 WeakPolarHBondContact O-CA 3.33Å; A473-A523 PolarHBondContact N-O 3Å; A473-L524 HydrophobicContact CB-CB 4.1Å; A473-L524 HydrophobicContact CB-CD1 3.81Å; A473-N527 WeakPolarHBondContact CA-OD1 3.33Å; A473-N527 WeakPolarHBondContact CB-OD1 3.24Å; A473-N527 PolarHBondContact N-OD1 2.63Å; A473-N527 PolarHBondContact O-ND2 2.78Å; A473-N527 PolarHBondContact O-OD1 3Å
474Y95.4Very high89Confident4 Ų430.1 Ų30.12%0.01618%0.177CC..EExtended strand (participates in β ladder)trans-86.3-34.7-179.9-42.2-60.6000111.5N432 H434 H466 R468 D471 R550N432-Y474 HydrophobicContact CB-CD1 4.46Å; N432-Y474 HydrophobicContact CB-CE1 3.66Å; N432-Y474 HydrophobicContact CB-CE2 4.19Å; N432-Y474 VanDerWaalsContact CB-CZ 3.5Å; N432-Y474 WeakPolarHBondContact CB-OH 3.46Å; N432-Y474 VanDerWaalsContact O-CD1 3.25Å; N432-Y474 WeakPolarHBondContact O-CD1 3.49Å; N432-Y474 WeakPolarHBondContact O-CE1 3.49Å; H434-Y474 AromaticContact CD2-CD1 3.75Å; H434-Y474 AromaticContact CD2-CE1 3.9Å; H434-Y474 AromaticContact CE1-CD1 3.72Å; H434-Y474 AromaticContact NE2-CD1 3.5Å; H434-Y474 WeakPolarHBondContact NE2-CD1 3.3Å; H434-Y474 AromaticContact NE2-CE1 3.53Å; H466-Y474 AromaticContact CE1-CD2 3.59Å; H466-Y474 AromaticContact ND1-CD2 3.68Å; H466-Y474 AromaticContact NE2-CD2 3.92Å; H466-Y474 PolarHBondContact O-N 2.8Å; R468-Y474 WeakPolarHBondContact CD-OH 3.35Å; R468-Y474 HydrophobicContact CG-CE2 4.4Å; R468-Y474 WeakPolarHBondContact CG-OH 3.43Å; D471-Y474 WeakPolarHBondContact OD2-CE1 3.39Å; D471-Y474 PolarHBondContact OD2-OH 3.16Å; Y474-R550 PolarHBondContact O-N 2.85Å
475S98.5Very high89.1Confident0 Ų030.2 Ų30.20%017%0.172CC..EExtended strand (participates in β ladder)trans-160.3157.3-176.161.90000113.1V457 H458 H466 R550V457-S475 WeakPolarHBondContact O-CB 3.16Å; V457-S475 PolarHBondContact O-OG 2.83Å; H458-S475 WeakPolarHBondContact CA-OG 3.41Å; H458-S475 PolarHBondContact CE1-O 2.84Å; H458-S475 PolarHBondContact ND1-OG 2.86Å; H466-S475 VanDerWaalsContact CB-OG 3.31Å; H466-S475 WeakPolarHBondContact CB-OG 3.45Å; H466-S475 PolarHBondContact N-O 3.4Å; H466-S475 PolarHBondContact ND1-OG 2.99Å; H466-S475 PolarHBondContact O-N 3.13Å; S475-R550 CarbonylContact C-O 3.55Å; S475-R550 WeakPolarHBondContact CA-O 3.33Å; S475-R550 WeakPolarHBondContact CB-O 3.49Å
476L98.4Very high89.2Confident0 Ų032.6 Ų32.60%019%0.187CC..EExtended strand (participates in β ladder)trans-142.8165.5171.167.972.2000113.5G464 I465 F492 Y494 L524 V549 R550 V551 V552 L596G464-L476 CarbonylContact O-C 3.46Å; G464-L476 WeakPolarHBondContact O-CA 3.03Å; G464-L476 WeakPolarHBondContact O-CB 3.29Å; I465-L476 HydrophobicContact CG1-CB 4.4Å; L476-F492 HydrophobicContact CD1-CE2 4.05Å; L476-F492 HydrophobicContact CD1-CZ 3.97Å; L476-F492 HydrophobicContact CD2-CE2 4.42Å; L476-Y494 HydrophobicContact CB-CE1 4.5Å; L476-Y494 HydrophobicContact CD1-CD2 4Å; L476-Y494 HydrophobicContact CD1-CE2 3.75Å; L476-Y494 HydrophobicContact CD2-CD1 3.93Å; L476-Y494 HydrophobicContact CD2-CD2 4.21Å; L476-Y494 HydrophobicContact CD2-CE1 4.09Å; L476-Y494 HydrophobicContact CD2-CE2 4.35Å; L476-Y494 HydrophobicContact CD2-CG 4Å; L476-L524 HydrophobicContact CD2-CD1 4.23Å; L476-L524 HydrophobicContact CD2-CD2 4.11Å; L476-V549 HydrophobicContact CB-CG1 4.45Å; L476-V549 HydrophobicContact CD2-CG1 4.18Å; L476-V549 HydrophobicContact CG-CG1 3.94Å; L476-R550 PolarHBondContact N-O 2.9Å; L476-V551 HydrophobicContact CD1-CG1 4.14Å; L476-V551 HydrophobicContact CD1-CG2 4.05Å; L476-V551 HydrophobicContact CG-CG2 4.3Å; L476-V552 PolarHBondContact O-N 2.65Å; L476-L596 HydrophobicContact CD2-CD1 4.24Å; L476-L596 HydrophobicContact CD2-CD2 3.87Å
477V97.7Very high89.4Confident3 Ų332.2 Ų32.22%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-123.3119.5178.7-168.50000111.3H458 G464 A479 Y494 V552H458-V477 HydrophobicContact CB-CG2 4.34Å; H458-V477 VanDerWaalsContact CD2-CG2 3.49Å; H458-V477 WeakPolarHBondContact CD2-CG2 3.43Å; G464-V477 PolarHBondContact O-N 3.49Å; V477-A479 HydrophobicContact CG1-CB 4.25Å; V477-Y494 WeakPolarHBondContact O-CE2 3.47Å; V477-Y494 PolarHBondContact O-OH 3.49Å; V477-V552 CarbonylContact C-O 3.46Å; V477-V552 VanDerWaalsContact CA-O 3.29Å; V477-V552 WeakPolarHBondContact CA-O 3.47Å; V477-V552 HydrophobicContact CG1-CB 4.43Å; V477-V552 HydrophobicContact CG1-CG1 4.37Å; V477-V552 HydrophobicContact CG2-CB 4.29Å
478L96.3Very high89.9Confident6 Ų636.1 Ų36.13%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-80.7110.4164.6-82.9165.1000108.8D487 F492 Y494 V551 V552 R553 S554L478-D487 HydrophobicContact CD1-CB 4.25Å; L478-D487 HydrophobicContact CD2-CB 4.33Å; L478-F492 HydrophobicContact CD1-CD1 4.02Å; L478-F492 HydrophobicContact CD1-CD2 3.92Å; L478-F492 HydrophobicContact CD1-CE1 4.02Å; L478-F492 HydrophobicContact CD1-CE2 3.92Å; L478-F492 HydrophobicContact CD1-CG 3.97Å; L478-F492 HydrophobicContact CD1-CZ 3.98Å; L478-F492 HydrophobicContact CD2-CD2 4.05Å; L478-F492 HydrophobicContact CD2-CE2 4.28Å; L478-F492 HydrophobicContact CG-CD2 4.28Å; L478-F492 HydrophobicContact CG-CE2 4.13Å; L478-F492 HydrophobicContact CG-CZ 4.5Å; L478-Y494 HydrophobicContact CD2-CD2 3.7Å; L478-Y494 HydrophobicContact CD2-CE2 3.96Å; L478-Y494 HydrophobicContact CG-CD2 4.16Å; L478-Y494 HydrophobicContact CG-CE2 4.17Å; L478-V551 HydrophobicContact CD1-CG1 4.19Å; L478-V552 PolarHBondContact N-O 2.69Å; L478-R553 HydrophobicContact CB-CG 3.99Å; L478-R553 HydrophobicContact CD1-CG 3.92Å; L478-S554 PolarHBondContact O-N 3.42Å
479A90.1Very high90.8Very high25 Ų2529.9 Ų29.921%0.20718%0.181CC..  trans-131.62.9-174.600000114.7V477 G481 K556 G557V477-A479 HydrophobicContact CG1-CB 4.25Å; A479-G481 VanDerWaalsContact C-N 3.31Å; A479-K556 CarbonylContact O-C 3.48Å; A479-K556 VanDerWaalsContact O-C 3.32Å; A479-K556 WeakPolarHBondContact O-CB 3.5Å; A479-G557 PolarHBondContact O-N 3.08Å
480G81.3Confident91.2Very high34 Ų3431.9 Ų31.935%0.35119%0.187SC..SBendtrans62.937.7-173.500000112.5
481G77.6Confident92Very high36 Ų3629.6 Ų29.637%0.37117%0.172SC..  trans-92-14.6177.600000113.8A479 R500A479-G481 VanDerWaalsContact C-N 3.31Å; G481-R500 VanDerWaalsContact O-CZ 3.31Å; G481-R500 PolarHBondContact O-NH1 2.83Å; G481-R500 PolarHBondContact O-NH2 3.22Å
482Y81.3Confident92.6Very high42 Ų4228 Ų2817%0.16516%0.163CC..SBendtrans-124.8135.6174.6-68.4-101.9000108.2D484 T495 G496 S497 G498 R500Y482-D484 VanDerWaalsContact C-N 3.28Å; Y482-D484 PolarHBondContact O-N 2.78Å; Y482-T495 HydrophobicContact CD1-CG2 3.65Å; Y482-T495 HydrophobicContact CG-CG2 4.05Å; Y482-G496 WeakPolarHBondContact CE1-O 3.37Å; Y482-S497 WeakPolarHBondContact OH-CA 3.45Å; Y482-G498 PolarHBondContact OH-N 2.68Å; Y482-R500 VanDerWaalsContact CE1-CZ 3.42Å; Y482-R500 VanDerWaalsContact CE1-NE 3.29Å; Y482-R500 VanDerWaalsContact CG-NH2 3.35Å
483E83.8Confident92.9Very high63 Ų6329 Ų2929%0.29417%0.17SC..THydrogen-bonded Turntrans-73.4-19.7-177.359.2-84.7-158.600112.8R500 Q511 K586 S587E483-R500 IonicContact OE2-NH2 2.74Å; E483-Q511 WeakPolarHBondContact OE1-CG 3.35Å; E483-K586 HydrophobicContact CB-CD 4.31Å; E483-K586 HydrophobicContact CG-CB 4.03Å; E483-K586 HydrophobicContact CG-CD 4.27Å; E483-K586 WeakPolarHBondContact O-CD 3.38Å; E483-K586 WeakPolarHBondContact O-CE 3.14Å; E483-K586 PolarHBondContact O-NZ 2.94Å; E483-S587 WeakPolarHBondContact OE1-CB 3.22Å; E483-S587 PolarHBondContact OE1-OG 3.18Å
484D87.5Confident93Very high7 Ų729.2 Ų29.24%0.03717%0.171CC..THydrogen-bonded Turntrans-90.8-0.9-178.5-67.2-52.7000114.6Y482 T495 G585 K586 R593Y482-D484 VanDerWaalsContact C-N 3.28Å; Y482-D484 PolarHBondContact O-N 2.78Å; D484-T495 HydrophobicContact CB-CG2 4.2Å; D484-G585 WeakPolarHBondContact OD2-CA 3.43Å; D484-K586 WeakPolarHBondContact OD1-CD 3.2Å; D484-K586 WeakPolarHBondContact OD1-CG 3.32Å; D484-K586 PolarHBondContact OD1-N 2.78Å; D484-K586 PolarHBondContact OD2-N 3.24Å; D484-R593 PolarHBondContact O-NH2 3.26Å
485D91.9Very high93Very high25 Ų2529.1 Ų29.113%0.13417%0.17CC..  trans-65.6136.9172-72.3-11.4000111T493 T495D485-T493 WeakPolarHBondContact CA-O 3.06Å; D485-T495 PolarHBondContact N-OG1 2.78Å; D485-T495 WeakPolarHBondContact OD1-CB 3.46Å; D485-T495 PolarHBondContact OD1-N 2.91Å; D485-T495 PolarHBondContact OD1-OG1 2.75Å
486V94.6Very high92.5Very high53 Ų5329.1 Ų29.132%0.32117%0.171SC..EExtended strand (participates in β ladder)trans-126.4100.6178.9-175.20000110.8D488 F492 T493V486-D488 PolarHBondContact O-N 3.15Å; V486-F492 VanDerWaalsContact O-CA 3.24Å; V486-F492 WeakPolarHBondContact O-CA 3.32Å; V486-F492 WeakPolarHBondContact O-CB 3.47Å; V486-T493 PolarHBondContact N-O 2.89Å; V486-T493 PolarHBondContact O-N 2.88Å; V486-T493 VanDerWaalsContact O-N 3.16Å
487D97.3Very high91.9Very high18 Ų1830.9 Ų30.910%0.09618%0.183CC..EExtended strand (participates in β ladder)trans-74.171.3-175.7177.286.4000118.6L478 G489 F492 R553 S561 F563L478-D487 HydrophobicContact CD1-CB 4.25Å; L478-D487 HydrophobicContact CD2-CB 4.33Å; D487-G489 WeakPolarHBondContact OD1-CA 3.23Å; D487-G489 PolarHBondContact OD1-N 2.87Å; D487-F492 HydrophobicContact CB-CB 3.79Å; D487-R553 VanDerWaalsContact CG-NE 3.32Å; D487-R553 IonicContact OD1-CZ 3.71Å; D487-R553 VanDerWaalsContact OD1-CZ 3.24Å; D487-R553 IonicContact OD1-NE 3.74Å; D487-R553 PolarHBondContact OD1-NE 2.97Å; D487-R553 IonicContact OD1-NH2 3.11Å; D487-R553 PolarHBondContact OD1-NH2 2.88Å; D487-R553 IonicContact OD2-CZ 2.9Å; D487-R553 IonicContact OD2-NE 2.79Å; D487-R553 PolarHBondContact OD2-NE 2.95Å; D487-R553 IonicContact OD2-NH2 3.6Å; D487-S561 WeakPolarHBondContact OD2-CB 3.44Å; D487-S561 PolarHBondContact OD2-OG 3.41Å; D487-F563 WeakPolarHBondContact O-CD2 3.25Å; D487-F563 WeakPolarHBondContact O-CE2 3.43Å
488D96.4Very high91.2Very high93 Ų9332.3 Ų32.350%0.49720%0.198SC..  trans-98.212179.8-81.6-57.4000116.1V486 N490 E491V486-D488 PolarHBondContact O-N 3.15Å; D488-N490 PolarHBondContact O-N 2.98Å; D488-E491 CarbonylContact C-O 3.55Å; D488-E491 VanDerWaalsContact CA-O 3.25Å; D488-E491 WeakPolarHBondContact CA-O 3.17Å; D488-E491 VanDerWaalsContact CB-O 3.3Å; D488-E491 WeakPolarHBondContact CB-O 3.48Å; D488-E491 PolarHBondContact N-O 2.77Å
489G95.7Very high90.5Very high0 Ų032.5 Ų32.50%020%0.201CC..SBendtrans80.2-78167.900000113.6D487 E491 R553 Y575 W606D487-G489 WeakPolarHBondContact OD1-CA 3.23Å; D487-G489 PolarHBondContact OD1-N 2.87Å; G489-E491 VanDerWaalsContact C-N 3.32Å; G489-E491 PolarHBondContact N-O 3.41Å; G489-R553 PolarHBondContact O-NH2 3.5Å; G489-Y575 WeakPolarHBondContact O-CE1 3.45Å; G489-Y575 PolarHBondContact O-OH 2.82Å; G489-W606 WeakPolarHBondContact O-CH2 3.47Å; G489-W606 WeakPolarHBondContact O-CZ2 3.23Å
490N97.3Very high89.9Confident93 Ų9332.7 Ų32.750%0.49720%0.197SC..SBendtrans-76.5-23.4178.6-80.1-7.9000112.3D488 R598 W606D488-N490 PolarHBondContact O-N 2.98Å; N490-R598 VanDerWaalsContact O-CB 3.29Å; N490-R598 WeakPolarHBondContact O-CB 3.46Å; N490-R598 PolarHBondContact O-N 3.18Å; N490-W606 WeakPolarHBondContact OD1-CZ2 3.16Å
491E97.8Very high89.6Confident82 Ų8234.6 Ų34.638%0.38320%0.199SC..EExtended strand (participates in β ladder)trans-137.8157.716660.4-173.5179.300109.4D488 G489 L595 L596 K597D488-E491 CarbonylContact C-O 3.55Å; D488-E491 VanDerWaalsContact CA-O 3.25Å; D488-E491 WeakPolarHBondContact CA-O 3.17Å; D488-E491 VanDerWaalsContact CB-O 3.3Å; D488-E491 WeakPolarHBondContact CB-O 3.48Å; D488-E491 PolarHBondContact N-O 2.77Å; G489-E491 VanDerWaalsContact C-N 3.32Å; G489-E491 PolarHBondContact N-O 3.41Å; E491-L595 HydrophobicContact CB-CD1 4.48Å; E491-L596 CarbonylContact C-O 3.51Å; E491-L596 WeakPolarHBondContact CA-O 3.31Å; E491-L596 WeakPolarHBondContact CB-O 3.35Å; E491-K597 HydrophobicContact CB-CG 3.96Å; E491-K597 WeakPolarHBondContact OE2-CE 3.49Å; E491-K597 IonicContact OE2-NZ 2.74Å; E491-K597 PolarHBondContact OE2-NZ 2.92Å
492F98.2Very high89.1Confident3 Ų336.2 Ų36.21%0.01320%0.199CC..EExtended strand (participates in β ladder)trans-155.5152.3175.858.2-89.1000111.4L476 L478 V486 D487 Y494 V551 Y575 L596L476-F492 HydrophobicContact CD1-CE2 4.05Å; L476-F492 HydrophobicContact CD1-CZ 3.97Å; L476-F492 HydrophobicContact CD2-CE2 4.42Å; L478-F492 HydrophobicContact CD1-CD1 4.02Å; L478-F492 HydrophobicContact CD1-CD2 3.92Å; L478-F492 HydrophobicContact CD1-CE1 4.02Å; L478-F492 HydrophobicContact CD1-CE2 3.92Å; L478-F492 HydrophobicContact CD1-CG 3.97Å; L478-F492 HydrophobicContact CD1-CZ 3.98Å; L478-F492 HydrophobicContact CD2-CD2 4.05Å; L478-F492 HydrophobicContact CD2-CE2 4.28Å; L478-F492 HydrophobicContact CG-CD2 4.28Å; L478-F492 HydrophobicContact CG-CE2 4.13Å; L478-F492 HydrophobicContact CG-CZ 4.5Å; V486-F492 VanDerWaalsContact O-CA 3.24Å; V486-F492 WeakPolarHBondContact O-CA 3.32Å; V486-F492 WeakPolarHBondContact O-CB 3.47Å; D487-F492 HydrophobicContact CB-CB 3.79Å; F492-Y494 HydrophobicContact CD2-CD2 4.26Å; F492-Y494 AromaticContact CE2-CD2 3.84Å; F492-Y494 HydrophobicContact CE2-CD2 3.84Å; F492-Y494 HydrophobicContact CE2-CG 4.18Å; F492-V551 HydrophobicContact CE1-CG1 3.93Å; F492-V551 HydrophobicContact CE1-CG2 4.01Å; F492-V551 HydrophobicContact CZ-CB 4.45Å; F492-V551 HydrophobicContact CZ-CG1 3.86Å; F492-V551 HydrophobicContact CZ-CG2 3.69Å; F492-Y575 HydrophobicContact CD1-CD1 4.06Å; F492-Y575 AromaticContact CD1-CE1 3.98Å; F492-Y575 HydrophobicContact CD1-CE1 3.98Å; F492-Y575 AromaticContact CE1-CD1 3.48Å; F492-Y575 HydrophobicContact CE1-CD1 3.48Å; F492-Y575 VanDerWaalsContact CE1-CD1 3.48Å; F492-Y575 AromaticContact CE1-CE1 3.62Å; F492-Y575 HydrophobicContact CE1-CE1 3.62Å; F492-Y575 HydrophobicContact CE1-CG 4.02Å; F492-Y575 HydrophobicContact CZ-CD1 4.47Å; F492-L596 HydrophobicContact CD1-CB 4.32Å; F492-L596 HydrophobicContact CD2-CB 4.32Å; F492-L596 HydrophobicContact CE1-CB 3.92Å; F492-L596 HydrophobicContact CE2-CB 3.93Å; F492-L596 HydrophobicContact CE2-CD1 3.92Å; F492-L596 HydrophobicContact CE2-CD2 4.31Å; F492-L596 HydrophobicContact CE2-CG 4.26Å; F492-L596 HydrophobicContact CZ-CB 3.7Å; F492-L596 HydrophobicContact CZ-CD1 4.33Å; F492-L596 HydrophobicContact CZ-CD2 3.92Å; F492-L596 HydrophobicContact CZ-CG 4.18Å; F492-L596 PolarHBondContact N-O 2.84Å; F492-L596 PolarHBondContact O-N 2.94Å
493T97.9Very high87.9Confident21 Ų2136.8 Ų36.813%0.12921%0.209CC..EExtended strand (participates in β ladder)trans-94.7119.7165.4-56.30000108.4D485 V486 W581 R593 Y594D485-T493 WeakPolarHBondContact CA-O 3.06Å; V486-T493 PolarHBondContact N-O 2.89Å; V486-T493 PolarHBondContact O-N 2.88Å; V486-T493 VanDerWaalsContact O-N 3.16Å; T493-W581 HydrophobicContact CG2-CH2 3.76Å; T493-W581 HydrophobicContact CG2-CZ2 4.11Å; T493-R593 HydrophobicContact CG2-CB 3.93Å; T493-Y594 CarbonylContact C-O 3.58Å; T493-Y594 WeakPolarHBondContact CA-O 3.4Å
494Y97.9Very high86.6Confident6 Ų637 Ų372%0.02423%0.228CC..EExtended strand (participates in β ladder)trans-101143.4177.6-161.8-104.2000110.5G464 I465 L476 V477 L478 F492 L524 R593 Y594G464-Y494 WeakPolarHBondContact CA-OH 3.41Å; G464-Y494 PolarHBondContact O-OH 3.29Å; I465-Y494 HydrophobicContact CD1-CE1 4.04Å; I465-Y494 HydrophobicContact CG1-CE1 3.74Å; L476-Y494 HydrophobicContact CB-CE1 4.5Å; L476-Y494 HydrophobicContact CD1-CD2 4Å; L476-Y494 HydrophobicContact CD1-CE2 3.75Å; L476-Y494 HydrophobicContact CD2-CD1 3.93Å; L476-Y494 HydrophobicContact CD2-CD2 4.21Å; L476-Y494 HydrophobicContact CD2-CE1 4.09Å; L476-Y494 HydrophobicContact CD2-CE2 4.35Å; L476-Y494 HydrophobicContact CD2-CG 4Å; V477-Y494 WeakPolarHBondContact O-CE2 3.47Å; V477-Y494 PolarHBondContact O-OH 3.49Å; L478-Y494 HydrophobicContact CD2-CD2 3.7Å; L478-Y494 HydrophobicContact CD2-CE2 3.96Å; L478-Y494 HydrophobicContact CG-CD2 4.16Å; L478-Y494 HydrophobicContact CG-CE2 4.17Å; F492-Y494 HydrophobicContact CD2-CD2 4.26Å; F492-Y494 AromaticContact CE2-CD2 3.84Å; F492-Y494 HydrophobicContact CE2-CD2 3.84Å; F492-Y494 HydrophobicContact CE2-CG 4.18Å; Y494-L524 HydrophobicContact CD1-CD2 4.07Å; Y494-R593 WeakPolarHBondContact O-CA 3.27Å; Y494-Y594 PolarHBondContact N-O 2.84Å; Y494-Y594 PolarHBondContact O-N 3.48Å
495T95.4Very high84.9Confident1 Ų142.3 Ų42.31%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-92.5141.8175.2-38.80000110.9Y482 D484 D485 V591 W592Y482-T495 HydrophobicContact CD1-CG2 3.65Å; Y482-T495 HydrophobicContact CG-CG2 4.05Å; D484-T495 HydrophobicContact CB-CG2 4.2Å; D485-T495 PolarHBondContact N-OG1 2.78Å; D485-T495 WeakPolarHBondContact OD1-CB 3.46Å; D485-T495 PolarHBondContact OD1-N 2.91Å; D485-T495 PolarHBondContact OD1-OG1 2.75Å; T495-V591 HydrophobicContact CG2-CB 3.95Å; T495-V591 HydrophobicContact CG2-CG1 4.27Å; T495-V591 HydrophobicContact CG2-CG2 4.34Å; T495-W592 CarbonylContact C-O 3.53Å
496G88.2Confident83.2Confident1 Ų144.8 Ų44.81%0.0127%0.266CS..PPolyproline II helixtrans-61.6165173.200000112.3Y482 Q515 N521 W592Y482-G496 WeakPolarHBondContact CE1-O 3.37Å; G496-Q515 PolarHBondContact O-NE2 3.17Å; G496-N521 WeakPolarHBondContact CA-OD1 3.26Å; G496-W592 PolarHBondContact N-O 2.87Å
497S85.1Confident81.7Confident37 Ų3749.4 Ų49.426%0.25928%0.277SS..SBendtrans-86.2149.1171.758.60000112.1Y482 N521Y482-S497 WeakPolarHBondContact OH-CA 3.45Å; S497-N521 PolarHBondContact N-OD1 2.9Å; S497-N521 PolarHBondContact O-ND2 3.4Å; S497-N521 PolarHBondContact O-OD1 2.73Å; S497-N521 PolarHBondContact OG-OD1 2.67Å
498G84.5Confident80.4Confident32 Ų3253.4 Ų53.433%0.3330%0.303SS..  trans95-163.9175.400000113.7Y482 R500 Q511 Q515Y482-G498 PolarHBondContact OH-N 2.68Å; G498-R500 VanDerWaalsContact C-N 3.31Å; G498-Q511 PolarHBondContact O-NE2 2.94Å; G498-Q515 WeakPolarHBondContact O-CG 3.37Å; G498-Q515 PolarHBondContact O-NE2 2.68Å
499G80.8Confident79.3Confident10 Ų1050.3 Ų50.310%0.10329%0.29CS..  trans7028.5-167.700000112.9Q511 S512 C513G499-Q511 CarbonylContact O-C 3.55Å; G499-Q511 VanDerWaalsContact O-CA 3.32Å; G499-Q511 WeakPolarHBondContact O-CA 3.37Å; G499-Q511 PolarHBondContact O-NE2 2.82Å; G499-Q511 VanDerWaalsContact O-NE2 3.09Å; G499-S512 PolarHBondContact O-N 3.28Å; G499-C513 CarbonylContact C-O 3.58Å; G499-C513 WeakPolarHBondContact CA-O 3.37Å; G499-C513 VanDerWaalsContact CA-SG 3.57Å; G499-C513 PolarHBondContact O-N 3.09Å; G499-C513 VanDerWaalsContact O-O 3.14Å
500R78.4Confident78.4Confident30 Ų3058.1 Ų58.111%0.11333%0.326CS..SBendtrans-138.3133.1-169.6-64.6-175.5176.5-150.6-4.4111.1G481 Y482 E483 G498 L502 A509 E510 Q511G481-R500 VanDerWaalsContact O-CZ 3.31Å; G481-R500 PolarHBondContact O-NH1 2.83Å; G481-R500 PolarHBondContact O-NH2 3.22Å; Y482-R500 VanDerWaalsContact CE1-CZ 3.42Å; Y482-R500 VanDerWaalsContact CE1-NE 3.29Å; Y482-R500 VanDerWaalsContact CG-NH2 3.35Å; E483-R500 IonicContact OE2-NH2 2.74Å; G498-R500 VanDerWaalsContact C-N 3.31Å; R500-L502 HydrophobicContact CB-CD2 4.3Å; R500-L502 HydrophobicContact CB-CG 4.41Å; R500-L502 PolarHBondContact O-N 2.92Å; R500-A509 HydrophobicContact CB-CB 4.41Å; R500-A509 VanDerWaalsContact CD-O 3.29Å; R500-A509 WeakPolarHBondContact CD-O 3.35Å; R500-A509 PolarHBondContact NE-O 3.1Å; R500-A509 PolarHBondContact NH1-O 2.83Å; R500-E510 WeakPolarHBondContact CG-O 3.19Å; R500-Q511 VanDerWaalsContact CZ-OE1 3.29Å
501D73.1Confident77.5Confident73 Ų7354.4 Ų54.439%0.3931%0.306SS..  trans-71.9106.3166.2169.140.7000111.2S503 K506 A509 S512D501-S503 WeakPolarHBondContact OD1-CB 3.49Å; D501-S503 PolarHBondContact OD1-N 3.41Å; D501-S503 PolarHBondContact OD1-OG 2.79Å; D501-S503 PolarHBondContact OD2-OG 2.85Å; D501-K506 WeakPolarHBondContact O-CD 3.46Å; D501-K506 IonicContact OD2-NZ 2.75Å; D501-K506 PolarHBondContact OD2-NZ 3.46Å; D501-A509 WeakPolarHBondContact O-CB 3.28Å; D501-S512 PolarHBondContact N-OG 3.46Å
502L67.3Low76.8Confident70 Ų7053 Ų5337%0.36631%0.306SS..  trans-98.312175.2-60.2-178.2000113.7R500 K506 A509R500-L502 HydrophobicContact CB-CD2 4.3Å; R500-L502 HydrophobicContact CB-CG 4.41Å; R500-L502 PolarHBondContact O-N 2.92Å; L502-K506 HydrophobicContact CB-CB 4.43Å; L502-K506 HydrophobicContact CD2-CB 4.19Å; L502-K506 PolarHBondContact O-N 3.29Å; L502-K506 VanDerWaalsContact O-N 3.12Å; L502-A509 HydrophobicContact CD2-CB 4.09Å
503S56.3Low76.2Confident54 Ų5455.8 Ų55.838%0.37832%0.324SS..THydrogen-bonded Turntrans-50.6152.4175.866.20000113.1D501 K506D501-S503 WeakPolarHBondContact OD1-CB 3.49Å; D501-S503 PolarHBondContact OD1-N 3.41Å; D501-S503 PolarHBondContact OD1-OG 2.79Å; D501-S503 PolarHBondContact OD2-OG 2.85Å; S503-K506 WeakPolarHBondContact O-CD 3.18Å; S503-K506 WeakPolarHBondContact O-CE 3.26Å; S503-K506 VanDerWaalsContact O-CG 3.25Å; S503-K506 WeakPolarHBondContact O-CG 3.14Å; S503-K506 PolarHBondContact O-NZ 3.02Å; S503-K506 PolarHBondContact OG-NZ 3.11Å
504G56.6Low75.8Confident67 Ų6759.3 Ų59.369%0.69134%0.343SS*.THydrogen-bonded Turntrans71.232.8-176.700000113.2K506G504-K506 VanDerWaalsContact C-N 3.27Å; G504-K506 PolarHBondContact O-N 2.98Å
505N52.4Low75.3Confident119 Ų11959.3 Ų59.364%0.63634%0.343SS*.THydrogen-bonded Turntrans6031.1176.2-16525.1000113.9R507N505-R507 PolarHBondContact O-NH1 3.41Å; N505-R507 VanDerWaalsContact OD1-CZ 3.24Å; N505-R507 PolarHBondContact OD1-NH1 2.8Å; N505-R507 PolarHBondContact OD1-NH2 3.38Å
506K56.8Low75Confident78 Ų7863.3 Ų63.334%0.33937%0.367SS..  trans-66.2162.4174.6-63.4162.4-167.2134.60110.3D501 L502 S503 G504 A509D501-K506 WeakPolarHBondContact O-CD 3.46Å; D501-K506 IonicContact OD2-NZ 2.75Å; D501-K506 PolarHBondContact OD2-NZ 3.46Å; L502-K506 HydrophobicContact CB-CB 4.43Å; L502-K506 HydrophobicContact CD2-CB 4.19Å; L502-K506 PolarHBondContact O-N 3.29Å; L502-K506 VanDerWaalsContact O-N 3.12Å; S503-K506 WeakPolarHBondContact O-CD 3.18Å; S503-K506 WeakPolarHBondContact O-CE 3.26Å; S503-K506 VanDerWaalsContact O-CG 3.25Å; S503-K506 WeakPolarHBondContact O-CG 3.14Å; S503-K506 PolarHBondContact O-NZ 3.02Å; S503-K506 PolarHBondContact OG-NZ 3.11Å; G504-K506 VanDerWaalsContact C-N 3.27Å; G504-K506 PolarHBondContact O-N 2.98Å; K506-A509 HydrophobicContact CD-CB 4.31Å
507R62.5Low75.2Confident149 Ų14964 Ų6456%0.56237%0.37SS*.SBendtrans-120.4-9.7169.6-66.7-63.7176-81.8-3113.3V462 N505V462-R507 HydrophobicContact CG1-CB 4.01Å; V462-R507 HydrophobicContact CG1-CG 4.4Å; N505-R507 PolarHBondContact O-NH1 3.41Å; N505-R507 VanDerWaalsContact OD1-CZ 3.24Å; N505-R507 PolarHBondContact OD1-NH1 2.8Å; N505-R507 PolarHBondContact OD1-NH2 3.38Å
508T69.4Low75Confident103 Ų10365 Ų6563%0.63238%0.375SS*.  trans-154.5139.8174.648.40000107.7
509A74.3Confident75.1Confident27 Ų2769.5 Ų69.522%0.22339%0.388CS..  trans-137.2-178.1164.400000108.6R500 D501 L502 K506R500-A509 HydrophobicContact CB-CB 4.41Å; R500-A509 VanDerWaalsContact CD-O 3.29Å; R500-A509 WeakPolarHBondContact CD-O 3.35Å; R500-A509 PolarHBondContact NE-O 3.1Å; R500-A509 PolarHBondContact NH1-O 2.83Å; D501-A509 WeakPolarHBondContact O-CB 3.28Å; L502-A509 HydrophobicContact CD2-CB 4.09Å; K506-A509 HydrophobicContact CD-CB 4.31Å
510E77.2Confident75.5Confident164 Ų16471.7 Ų71.777%0.76640%0.396SS*.  trans-79.6167.6167.8-65.7173.8166.300110.1R500R500-E510 WeakPolarHBondContact CG-O 3.19Å
511Q77.4Confident76.1Confident15 Ų1570.5 Ų70.57%0.0739%0.391CS..  trans-67.3134.2175.8-61-57.7123.400110.5E483 G498 G499 R500 F589E483-Q511 WeakPolarHBondContact OE1-CG 3.35Å; G498-Q511 PolarHBondContact O-NE2 2.94Å; G499-Q511 CarbonylContact O-C 3.55Å; G499-Q511 VanDerWaalsContact O-CA 3.32Å; G499-Q511 WeakPolarHBondContact O-CA 3.37Å; G499-Q511 PolarHBondContact O-NE2 2.82Å; G499-Q511 VanDerWaalsContact O-NE2 3.09Å; R500-Q511 VanDerWaalsContact CZ-OE1 3.29Å; Q511-F589 HydrophobicContact CB-CD2 3.92Å; Q511-F589 WeakPolarHBondContact O-CE2 3.4Å
512S83.4Confident77.1Confident54 Ų5470.6 Ų70.638%0.37839%0.387SS..  trans-137-5.6-178.565.20000113.9G499 D501 F589G499-S512 PolarHBondContact O-N 3.28Å; D501-S512 PolarHBondContact N-OG 3.46Å; S512-F589 WeakPolarHBondContact O-CE1 3.25Å; S512-F589 WeakPolarHBondContact O-CZ 3.43Å
513C85.3Confident78.4Confident60 Ų6067.3 Ų67.341%0.40537%0.369SS..SBendtrans-159168.5175.752.20000110.7G499G499-C513 CarbonylContact C-O 3.58Å; G499-C513 WeakPolarHBondContact CA-O 3.37Å; G499-C513 VanDerWaalsContact CA-SG 3.57Å; G499-C513 PolarHBondContact O-N 3.09Å; G499-C513 VanDerWaalsContact O-O 3.14Å
514D88.8Confident80.3Confident96 Ų9664.7 Ų64.751%0.51335%0.351SS..PPolyproline II helixtrans-68.4144.2179.9-71.6-8.6000112.5F589 L590D514-F589 WeakPolarHBondContact OD1-CA 3.13Å; D514-L590 HydrophobicContact CB-CB 3.93Å; D514-L590 PolarHBondContact OD1-N 2.99Å
515Q89.1Confident82.3Confident6 Ų661.5 Ų61.53%0.02832%0.318CS..PPolyproline II helixtrans-83137.3174.6-64.8-167.4-19.400112.1G496 G498 L590 V591 W592G496-Q515 PolarHBondContact O-NE2 3.17Å; G498-Q515 WeakPolarHBondContact O-CG 3.37Å; G498-Q515 PolarHBondContact O-NE2 2.68Å; Q515-L590 PolarHBondContact N-O 2.87Å; Q515-L590 VanDerWaalsContact O-CD2 3.32Å; Q515-L590 WeakPolarHBondContact O-CD2 3.1Å; Q515-V591 HydrophobicContact CG-CB 4.5Å; Q515-V591 HydrophobicContact CG-CG1 4.32Å; Q515-W592 VanDerWaalsContact O-CD1 3.23Å; Q515-W592 PolarHBondContact O-NE1 3.26Å; Q515-W592 VanDerWaalsContact O-NE1 3.14Å
516T88.6Confident84.4Confident85 Ų8558 Ų5852%0.52130%0.299SS..PPolyproline II helixtrans-100.2152.9175.550.30000111.7T518 N521T516-T518 PolarHBondContact O-N 3.46Å; T516-T518 VanDerWaalsContact O-N 3.08Å; T516-T518 PolarHBondContact OG1-OG1 3Å; T516-T518 VanDerWaalsContact OG1-OG1 3.11Å; T516-N521 PolarHBondContact O-ND2 2.78Å
517L91.1Very high86.3Confident14 Ų1454.3 Ų54.37%0.07328%0.283CS..SBendtrans-85.555.6173.6-161.876.3000111.6N521 R522 A525 V532 E534 Y580 W592 Y594L517-N521 HydrophobicContact CD1-CB 4.19Å; L517-R522 WeakPolarHBondContact O-CB 3.39Å; L517-A525 HydrophobicContact CD1-CB 4.09Å; L517-A525 HydrophobicContact CD2-CB 4.25Å; L517-V532 HydrophobicContact CD2-CG1 3.96Å; L517-E534 HydrophobicContact CD2-CB 4.28Å; L517-E534 HydrophobicContact CD2-CG 4.18Å; L517-Y580 HydrophobicContact CD1-CD2 4.27Å; L517-Y580 HydrophobicContact CD1-CE2 4.25Å; L517-Y580 HydrophobicContact CD2-CE2 3.8Å; L517-W592 HydrophobicContact CB-CD2 4.27Å; L517-W592 HydrophobicContact CB-CH2 4.32Å; L517-W592 HydrophobicContact CB-CZ2 3.8Å; L517-W592 HydrophobicContact CD1-CD2 3.64Å; L517-W592 HydrophobicContact CD1-CE3 3.66Å; L517-W592 HydrophobicContact CD1-CG 4.1Å; L517-W592 HydrophobicContact CD1-CH2 4.37Å; L517-W592 HydrophobicContact CD1-CZ2 4.4Å; L517-W592 HydrophobicContact CD1-CZ3 4.02Å; L517-W592 HydrophobicContact CD2-CH2 4.17Å; L517-W592 HydrophobicContact CD2-CZ2 4.5Å; L517-W592 HydrophobicContact CD2-CZ3 4.31Å; L517-W592 HydrophobicContact CG-CD2 4.49Å; L517-W592 HydrophobicContact CG-CZ2 4.45Å; L517-Y594 VanDerWaalsContact CD1-OH 3.3Å; L517-Y594 WeakPolarHBondContact CD1-OH 3.36Å
518T82.4Confident88Confident59 Ų5947.5 Ų47.536%0.36226%0.258SS..  trans-116176.8177.258.60000111.1T516 M520 N521 R522T516-T518 PolarHBondContact O-N 3.46Å; T516-T518 VanDerWaalsContact O-N 3.08Å; T516-T518 PolarHBondContact OG1-OG1 3Å; T516-T518 VanDerWaalsContact OG1-OG1 3.11Å; T518-M520 PolarHBondContact O-N 3.47Å; T518-N521 WeakPolarHBondContact O-CB 3.48Å; T518-N521 PolarHBondContact O-N 3.07Å; T518-R522 PolarHBondContact O-N 2.83Å; T518-R522 VanDerWaalsContact O-N 3.13Å
519H86.6Confident89.3Confident127 Ų12745.4 Ų45.459%0.58824%0.243SC*.Hα-helixtrans42.2-117.3175.9-44.6-80.8000113.7S469 N521 R522 A523S469-H519 WeakPolarHBondContact CB-O 3.32Å; H519-N521 VanDerWaalsContact C-N 3.34Å; H519-N521 PolarHBondContact O-N 3.44Å; H519-R522 PolarHBondContact O-N 3.46Å; H519-A523 WeakPolarHBondContact O-CB 3.23Å; H519-A523 PolarHBondContact O-N 3.16Å
520M88.1Confident90.4Very high56 Ų5646.3 Ų46.328%0.27625%0.246SC..Hα-helixtrans-68.9-27.9-178.1-61.5-55.5111.300114.1I465 G467 T518 A523 L524I465-M520 HydrophobicContact CB-CB 3.95Å; I465-M520 HydrophobicContact CB-CG 4.38Å; I465-M520 HydrophobicContact CD1-CB 4.21Å; I465-M520 HydrophobicContact CG2-CB 3.94Å; I465-M520 HydrophobicContact CG2-CG 4.48Å; I465-M520 HydrophobicContact CG2-SD 4.37Å; G467-M520 WeakPolarHBondContact O-CE 3.35Å; T518-M520 PolarHBondContact O-N 3.47Å; M520-A523 WeakPolarHBondContact O-CB 3.49Å; M520-A523 PolarHBondContact O-N 3.15Å; M520-L524 PolarHBondContact O-N 3.31Å
521N92.2Very high91.2Very high4 Ų444.1 Ų44.12%0.02125%0.246CC..Hα-helixtrans-70.1-46.2178.4-63.2-8.5000109.2G496 S497 T516 L517 T518 H519 A523 L524 A525 Y594G496-N521 WeakPolarHBondContact CA-OD1 3.26Å; S497-N521 PolarHBondContact N-OD1 2.9Å; S497-N521 PolarHBondContact O-ND2 3.4Å; S497-N521 PolarHBondContact O-OD1 2.73Å; S497-N521 PolarHBondContact OG-OD1 2.67Å; T516-N521 PolarHBondContact O-ND2 2.78Å; L517-N521 HydrophobicContact CD1-CB 4.19Å; T518-N521 WeakPolarHBondContact O-CB 3.48Å; T518-N521 PolarHBondContact O-N 3.07Å; H519-N521 VanDerWaalsContact C-N 3.34Å; H519-N521 PolarHBondContact O-N 3.44Å; N521-A523 VanDerWaalsContact C-N 3.34Å; N521-A523 PolarHBondContact O-N 2.92Å; N521-L524 PolarHBondContact O-N 2.96Å; N521-A525 PolarHBondContact O-N 3Å; N521-Y594 WeakPolarHBondContact CA-OH 3.43Å; N521-Y594 VanDerWaalsContact CB-OH 3.31Å; N521-Y594 WeakPolarHBondContact CB-OH 3.35Å; N521-Y594 PolarHBondContact O-OH 3Å; N521-Y594 VanDerWaalsContact O-OH 3.09Å
522R93.8Very high91.9Very high76 Ų7645.2 Ų45.229%0.28725%0.253SS..Hα-helixtrans-61.4-40.8171.7-156.8175.6-169.8-84.8-2112.6S469 L517 T518 H519 L524 A525 L526 E534S469-R522 PolarHBondContact O-NH1 3.42Å; L517-R522 WeakPolarHBondContact O-CB 3.39Å; T518-R522 PolarHBondContact O-N 2.83Å; T518-R522 VanDerWaalsContact O-N 3.13Å; H519-R522 PolarHBondContact O-N 3.46Å; R522-L524 VanDerWaalsContact C-N 3.34Å; R522-L524 PolarHBondContact O-N 2.83Å; R522-A525 PolarHBondContact O-N 3.34Å; R522-L526 WeakPolarHBondContact O-CG 3.28Å; R522-L526 PolarHBondContact O-N 2.49Å; R522-E534 IonicContact CZ-OE1 3.88Å; R522-E534 VanDerWaalsContact CZ-OE1 3.24Å; R522-E534 IonicContact NE-OE1 3.67Å; R522-E534 PolarHBondContact NE-OE1 2.87Å; R522-E534 IonicContact NH2-OE1 2.85Å; R522-E534 PolarHBondContact NH2-OE1 2.85Å
523A93.3Very high92.4Very high0 Ų045.6 Ų45.60%025%0.251CS..Hα-helixtrans-58.4-44.6175.500000111.7R468 G472 A473 H519 M520 N521 L526 N527R468-A523 VanDerWaalsContact O-CB 3.28Å; R468-A523 WeakPolarHBondContact O-CB 3.49Å; G472-A523 CarbonylContact C-O 3.56Å; G472-A523 VanDerWaalsContact CA-O 3.29Å; G472-A523 WeakPolarHBondContact CA-O 3.35Å; A473-A523 PolarHBondContact N-O 3Å; H519-A523 WeakPolarHBondContact O-CB 3.23Å; H519-A523 PolarHBondContact O-N 3.16Å; M520-A523 WeakPolarHBondContact O-CB 3.49Å; M520-A523 PolarHBondContact O-N 3.15Å; N521-A523 VanDerWaalsContact C-N 3.34Å; N521-A523 PolarHBondContact O-N 2.92Å; A523-L526 PolarHBondContact O-N 2.91Å; A523-N527 PolarHBondContact O-OD1 2.95Å
524L97.3Very high92.5Very high0 Ų047.5 Ų47.50%025%0.254CS..Hα-helixtrans-72.2-31.8178.2-171.859000112.7I465 A473 L476 Y494 M520 N521 R522 L526 N527 V549 V577 Y594I465-L524 HydrophobicContact CD1-CB 4.39Å; I465-L524 HydrophobicContact CD1-CD2 3.93Å; I465-L524 HydrophobicContact CG1-CD2 4.44Å; A473-L524 HydrophobicContact CB-CB 4.1Å; A473-L524 HydrophobicContact CB-CD1 3.81Å; L476-L524 HydrophobicContact CD2-CD1 4.23Å; L476-L524 HydrophobicContact CD2-CD2 4.11Å; Y494-L524 HydrophobicContact CD1-CD2 4.07Å; M520-L524 PolarHBondContact O-N 3.31Å; N521-L524 PolarHBondContact O-N 2.96Å; R522-L524 VanDerWaalsContact C-N 3.34Å; R522-L524 PolarHBondContact O-N 2.83Å; L524-L526 VanDerWaalsContact C-N 3.35Å; L524-N527 WeakPolarHBondContact O-CB 3.49Å; L524-N527 PolarHBondContact O-N 2.86Å; L524-V549 HydrophobicContact CD1-CG2 4.08Å; L524-V577 HydrophobicContact CD1-CG2 3.78Å; L524-V577 HydrophobicContact CG-CG2 4.21Å; L524-Y594 HydrophobicContact CB-CD1 4.11Å; L524-Y594 HydrophobicContact CB-CE1 3.93Å; L524-Y594 HydrophobicContact CD2-CD1 3.74Å; L524-Y594 HydrophobicContact CD2-CD2 3.79Å; L524-Y594 HydrophobicContact CD2-CE1 4.17Å; L524-Y594 HydrophobicContact CD2-CE2 4.23Å; L524-Y594 HydrophobicContact CD2-CG 3.56Å; L524-Y594 HydrophobicContact CG-CD1 3.61Å; L524-Y594 HydrophobicContact CG-CE1 3.97Å; L524-Y594 HydrophobicContact CG-CG 3.98Å
525A97.5Very high92.4Very high0 Ų051.3 Ų51.30%027%0.266CS..Hα-helixtrans-62.6-39.4172.100000112.6L517 N521 R522 N527 C528 V532 Y580 Y594L517-A525 HydrophobicContact CD1-CB 4.09Å; L517-A525 HydrophobicContact CD2-CB 4.25Å; N521-A525 PolarHBondContact O-N 3Å; R522-A525 PolarHBondContact O-N 3.34Å; A525-N527 PolarHBondContact O-N 3.26Å; A525-N527 VanDerWaalsContact O-N 3.12Å; A525-C528 WeakPolarHBondContact O-CB 3.47Å; A525-C528 PolarHBondContact O-N 2.93Å; A525-V532 HydrophobicContact CB-CG1 4.49Å; A525-Y580 HydrophobicContact CB-CD1 4.11Å; A525-Y580 HydrophobicContact CB-CD2 3.82Å; A525-Y580 HydrophobicContact CB-CE1 3.93Å; A525-Y580 HydrophobicContact CB-CE2 3.64Å; A525-Y580 HydrophobicContact CB-CG 4.08Å; A525-Y594 HydrophobicContact CB-CE1 4.28Å
526L96.9Very high92.6Very high46 Ų4656.8 Ų56.824%0.24130%0.296CS..THydrogen-bonded Turntrans-62.3-13.2176.3-78.1166.4000114.5S469 R522 A523 L524 C528 V532S469-L526 VanDerWaalsContact O-CD1 3.26Å; S469-L526 WeakPolarHBondContact O-CD1 3.41Å; R522-L526 WeakPolarHBondContact O-CG 3.28Å; R522-L526 PolarHBondContact O-N 2.49Å; A523-L526 PolarHBondContact O-N 2.91Å; L524-L526 VanDerWaalsContact C-N 3.35Å; L526-C528 VanDerWaalsContact C-N 3.33Å; L526-V532 HydrophobicContact CD2-CG2 3.52Å; L526-V532 HydrophobicContact CG-CG2 3.9Å
527N98.2Very high92.9Very high0 Ų053.1 Ų53.10%027%0.274CS..THydrogen-bonded Turntrans-77.3-18.3171.3-69.673.4000113.5A473 A523 L524 A525 G546 K547 V549 V577A473-N527 WeakPolarHBondContact CA-OD1 3.33Å; A473-N527 WeakPolarHBondContact CB-OD1 3.24Å; A473-N527 PolarHBondContact N-OD1 2.63Å; A473-N527 PolarHBondContact O-ND2 2.78Å; A473-N527 PolarHBondContact O-OD1 3Å; A523-N527 PolarHBondContact O-OD1 2.95Å; L524-N527 WeakPolarHBondContact O-CB 3.49Å; L524-N527 PolarHBondContact O-N 2.86Å; A525-N527 PolarHBondContact O-N 3.26Å; A525-N527 VanDerWaalsContact O-N 3.12Å; N527-G546 CarbonylContact O-C 3.59Å; N527-G546 WeakPolarHBondContact O-CA 3.44Å; N527-K547 HydrophobicContact CB-CB 4.26Å; N527-K547 WeakPolarHBondContact ND2-CB 3.45Å; N527-K547 PolarHBondContact ND2-O 3.04Å; N527-K547 PolarHBondContact O-N 2.83Å; N527-V549 HydrophobicContact CB-CG2 4.21Å; N527-V549 WeakPolarHBondContact ND2-CG2 3.36Å; N527-V577 HydrophobicContact CB-CB 4.27Å; N527-V577 HydrophobicContact CB-CG2 3.82Å
528C97.9Very high93.2Very high5 Ų553.5 Ų53.53%0.03428%0.28CS..SBendtrans-73.5134.6177-156.90000109.6A525 L526 V530 V577 A578 Y580A525-C528 WeakPolarHBondContact O-CB 3.47Å; A525-C528 PolarHBondContact O-N 2.93Å; L526-C528 VanDerWaalsContact C-N 3.33Å; C528-V530 HydrophobicContact CB-CG2 3.89Å; C528-V530 PolarHBondContact O-N 3.45Å; C528-V577 HydrophobicContact CB-CB 4.14Å; C528-V577 HydrophobicContact CB-CG1 3.85Å; C528-V577 PolarHBondContact SG-O 2.98Å; C528-A578 PolarHBondContact SG-O 3.32Å; C528-Y580 HydrophobicContact CB-CD1 4.06Å; C528-Y580 HydrophobicContact CB-CE1 4.25Å
529N97Very high93.9Very high60 Ų6056 Ų5632%0.32129%0.288SS..SBendtrans-79.267.5-179.9179.142.8000111.5S540 N542 Q545N529-S540 WeakPolarHBondContact CB-OG 3.12Å; N529-S540 WeakPolarHBondContact O-CB 3.33Å; N529-S540 PolarHBondContact O-OG 3.14Å; N529-N542 PolarHBondContact ND2-O 2.89Å; N529-Q545 HydrophobicContact CB-CB 4.3Å; N529-Q545 WeakPolarHBondContact ND2-CB 3.5Å; N529-Q545 PolarHBondContact ND2-OE1 3.29Å
530V95.5Very high94.3Very high45 Ų4550.3 Ų50.327%0.27326%0.262SS..SBendtrans-160.1153.3177.2-81.50000108.5C528 A538C528-V530 HydrophobicContact CB-CG2 3.89Å; C528-V530 PolarHBondContact O-N 3.45Å; V530-A538 HydrophobicContact CB-CB 4.29Å; V530-A538 HydrophobicContact CG2-CB 3.6Å
531P94.3Very high94.6Very high118 Ų11857.3 Ų57.377%0.76629%0.291SS*.PPolyproline II helixtrans-57.7140.9167.6-22.734.2000111.6N533P531-N533 PolarHBondContact O-N 2.91Å
532V92.7Very high94.8Very high38 Ų3861.6 Ų61.623%0.2331%0.314CS..PPolyproline II helixtrans-69116.7-178.1178.70000110.6L517 A525 L526 E534 Y580L517-V532 HydrophobicContact CD2-CG1 3.96Å; A525-V532 HydrophobicContact CB-CG1 4.49Å; L526-V532 HydrophobicContact CD2-CG2 3.52Å; L526-V532 HydrophobicContact CG-CG2 3.9Å; V532-E534 HydrophobicContact CG1-CG 3.9Å; V532-Y580 WeakPolarHBondContact CA-OH 3.32Å
533N93.6Very high94.9Very high62 Ų6260.8 Ų60.833%0.33231%0.311SS..PPolyproline II helixtrans-96.3119.2165-180-22.7000109P531 K535 N536 G537 A538 Y580P531-N533 PolarHBondContact O-N 2.91Å; N533-K535 PolarHBondContact OD1-N 2.82Å; N533-N536 PolarHBondContact OD1-N 3.35Å; N533-G537 WeakPolarHBondContact CB-O 3.31Å; N533-G537 PolarHBondContact ND2-O 3.02Å; N533-A538 HydrophobicContact CB-CB 4.44Å; N533-Y580 PolarHBondContact N-OH 3.29Å; N533-Y580 PolarHBondContact O-OH 2.79Å
534E87.1Confident95.1Very high100 Ų10066.4 Ų66.447%0.46734%0.335SS..THydrogen-bonded Turntrans-91.3-6.5-174.2-54.6-173.9159.900113.5L517 R522 V532L517-E534 HydrophobicContact CD2-CB 4.28Å; L517-E534 HydrophobicContact CD2-CG 4.18Å; R522-E534 IonicContact CZ-OE1 3.88Å; R522-E534 VanDerWaalsContact CZ-OE1 3.24Å; R522-E534 IonicContact NE-OE1 3.67Å; R522-E534 PolarHBondContact NE-OE1 2.87Å; R522-E534 IonicContact NH2-OE1 2.85Å; R522-E534 PolarHBondContact NH2-OE1 2.85Å; V532-E534 HydrophobicContact CG1-CG 3.9Å
535K87.6Confident95.1Very high176 Ų17672.8 Ų72.877%0.76537%0.365SS*.THydrogen-bonded Turntrans-102.4-48.1-179.2-67.7-172.6177.4-176.30113.6N533N533-K535 PolarHBondContact OD1-N 2.82Å
536N92.6Very high95Very high122 Ų12273.1 Ų73.165%0.65237%0.368SS*.THydrogen-bonded Turntrans-112-7.7-171.9-59.14.2000112.5N533 P582N533-N536 PolarHBondContact OD1-N 3.35Å; N536-P582 WeakPolarHBondContact O-CD 3.38Å
537G95.5Very high95.1Very high7 Ų774.6 Ų74.67%0.07237%0.373CS..  trans68.9-170.3-16400000113.1N533 Y580N533-G537 WeakPolarHBondContact CB-O 3.31Å; N533-G537 PolarHBondContact ND2-O 3.02Å; G537-Y580 CarbonylContact C-O 3.07Å; G537-Y580 VanDerWaalsContact CA-O 3.23Å; G537-Y580 WeakPolarHBondContact CA-O 3.41Å
538A96.5Very high95.1Very high23 Ų2376.2 Ų76.219%0.1938%0.383CS..EExtended strand (participates in β ladder)trans-155.1158.1-176.900000112.9V530 N533 K579 Y580V530-A538 HydrophobicContact CB-CB 4.29Å; V530-A538 HydrophobicContact CG2-CB 3.6Å; N533-A538 HydrophobicContact CB-CB 4.44Å; A538-K579 CarbonylContact O-C 3.52Å; A538-K579 VanDerWaalsContact O-CA 3.24Å; A538-K579 WeakPolarHBondContact O-CA 3.09Å; A538-K579 WeakPolarHBondContact O-CB 3.36Å; A538-Y580 HydrophobicContact CB-CE1 3.88Å; A538-Y580 PolarHBondContact N-O 2.96Å; A538-Y580 PolarHBondContact O-N 2.77Å
539E97.5Very high95.1Very high112 Ų11276 Ų7652%0.52338%0.382SS..EExtended strand (participates in β ladder)trans-128.8128179.9175.6146.6-139.100110.9K579E539-K579 HydrophobicContact CB-CB 3.57Å; E539-K579 HydrophobicContact CB-CD 4.44Å; E539-K579 HydrophobicContact CG-CB 3.79Å; E539-K579 HydrophobicContact CG-CD 4.47Å; E539-K579 HydrophobicContact CG-CG 4.4Å; E539-K579 IonicContact OE1-NZ 2.71Å; E539-K579 PolarHBondContact OE1-NZ 3.29Å; E539-K579 IonicContact OE2-NZ 3.91Å; E539-K579 PolarHBondContact OE2-NZ 2.98Å
540S96Very high95.2Very high7 Ų773.1 Ų73.15%0.04937%0.366CS..  trans-98.3117.8-178.6-172.40000112N529 N542 W543 A578N529-S540 WeakPolarHBondContact CB-OG 3.12Å; N529-S540 WeakPolarHBondContact O-CB 3.33Å; N529-S540 PolarHBondContact O-OG 3.14Å; S540-N542 PolarHBondContact O-N 3.32Å; S540-N542 PolarHBondContact OG-N 2.92Å; S540-W543 PolarHBondContact O-N 3.12Å; S540-A578 PolarHBondContact N-O 3.24Å
541K93.6Very high95.3Very high202 Ų20271 Ų7188%0.87835%0.353SS*.THydrogen-bonded Turntrans-59.3-35.5170.4-62.3-178.3-179.71800111.6
542N95.8Very high95.6Very high95 Ų9565.4 Ų65.451%0.50832%0.317SS..THydrogen-bonded Turntrans-105.348.5-179.7-66.4-7.2000111.3N529 S540 K544 Q545N529-N542 PolarHBondContact ND2-O 2.89Å; S540-N542 PolarHBondContact O-N 3.32Å; S540-N542 PolarHBondContact OG-N 2.92Å; N542-K544 PolarHBondContact O-N 3.43Å; N542-Q545 WeakPolarHBondContact O-CB 3.33Å; N542-Q545 PolarHBondContact O-N 3.07Å
543W96.9Very high95.8Very high59 Ų5963.6 Ų63.622%0.22331%0.306CS..G310 helixtrans-54.3-29.3-174.367.8-88.5000115S540 Q545 G546 K576 A578 K597 D599S540-W543 PolarHBondContact O-N 3.12Å; W543-Q545 PolarHBondContact O-N 3.19Å; W543-G546 PolarHBondContact O-N 3.17Å; W543-K576 HydrophobicContact CE3-CB 3.99Å; W543-K576 HydrophobicContact CZ3-CB 4.27Å; W543-A578 HydrophobicContact CB-CB 3.85Å; W543-A578 HydrophobicContact CD2-CB 4.48Å; W543-A578 HydrophobicContact CG-CB 4.08Å; W543-K597 HydrophobicContact CE3-CB 4Å; W543-K597 HydrophobicContact CH2-CB 3.67Å; W543-K597 HydrophobicContact CZ2-CB 4.21Å; W543-K597 HydrophobicContact CZ2-CD 4.29Å; W543-K597 HydrophobicContact CZ3-CB 3.55Å; W543-D599 HydrophobicContact CH2-CB 4.21Å; W543-D599 HydrophobicContact CZ3-CB 3.91Å
544K96.9Very high95.9Very high117 Ų11761 Ų6151%0.50929%0.293SS..G310 helixtrans-63.7-16.5175.4-73-158172.6-140.30114.5N542 G546 K576 D599N542-K544 PolarHBondContact O-N 3.43Å; K544-G546 VanDerWaalsContact C-N 3.33Å; K544-K576 WeakPolarHBondContact O-CD 3.15Å; K544-K576 WeakPolarHBondContact O-CE 3.47Å; K544-K576 PolarHBondContact O-NZ 2.86Å; K544-D599 WeakPolarHBondContact CD-OD1 3.24Å; K544-D599 WeakPolarHBondContact CE-OD1 3.5Å; K544-D599 IonicContact NZ-OD1 2.92Å; K544-D599 PolarHBondContact NZ-OD1 2.8Å
545Q96.6Very high96.3Very high135 Ų13558.2 Ų58.263%0.63128%0.284SS*.G310 helixtrans-86.2-3.2172.5-68.4170-18.700112.7N529 N542 W543N529-Q545 HydrophobicContact CB-CB 4.3Å; N529-Q545 WeakPolarHBondContact ND2-CB 3.5Å; N529-Q545 PolarHBondContact ND2-OE1 3.29Å; N542-Q545 WeakPolarHBondContact O-CB 3.33Å; N542-Q545 PolarHBondContact O-N 3.07Å; W543-Q545 PolarHBondContact O-N 3.19Å
546G97Very high96.4Very high6 Ų657.4 Ų57.46%0.06228%0.28CS..SBendtrans-68.5156.6177.800000113.8N527 W543 K544 K576N527-G546 CarbonylContact O-C 3.59Å; N527-G546 WeakPolarHBondContact O-CA 3.44Å; W543-G546 PolarHBondContact O-N 3.17Å; K544-G546 VanDerWaalsContact C-N 3.33Å; G546-K576 VanDerWaalsContact O-CD 3.3Å; G546-K576 WeakPolarHBondContact O-CD 3.36Å; G546-K576 VanDerWaalsContact O-CE 3.3Å; G546-K576 WeakPolarHBondContact O-CE 3.2Å
547K97.9Very high96.2Very high78 Ų7851.7 Ų51.734%0.33925%0.25SS..PPolyproline II helixtrans-63.3131.9180-65.8-176.2171.4-176.10110.3D471 N527D471-K547 PolarHBondContact O-NZ 2.75Å; D471-K547 IonicContact OD1-NZ 3.51Å; D471-K547 PolarHBondContact OD1-NZ 2.91Å; N527-K547 HydrophobicContact CB-CB 4.26Å; N527-K547 WeakPolarHBondContact ND2-CB 3.45Å; N527-K547 PolarHBondContact ND2-O 3.04Å; N527-K547 PolarHBondContact O-N 2.83Å
548P98.2Very high96Very high34 Ų3457.4 Ų57.422%0.22127%0.27CS..PPolyproline II helixtrans-71.2137.9-176.528.6-35000112.6H434 I574H434-P548 HydrophobicContact CB-CG 4.08Å; H434-P548 PolarHBondContact ND1-O 2.9Å; P548-I574 HydrophobicContact CB-CG2 3.34Å
549V98.7Very high95.5Very high0 Ų065 Ų650%030%0.299CS..EExtended strand (participates in β ladder)trans-112.9125.9174.5-175.20000109.1L476 L524 N527 V551 I574 Y575 L596L476-V549 HydrophobicContact CB-CG1 4.45Å; L476-V549 HydrophobicContact CD2-CG1 4.18Å; L476-V549 HydrophobicContact CG-CG1 3.94Å; L524-V549 HydrophobicContact CD1-CG2 4.08Å; N527-V549 HydrophobicContact CB-CG2 4.21Å; N527-V549 WeakPolarHBondContact ND2-CG2 3.36Å; V549-V551 HydrophobicContact CG1-CG2 4.5Å; V549-I574 WeakPolarHBondContact O-CA 3.43Å; V549-Y575 PolarHBondContact N-O 2.82Å; V549-Y575 PolarHBondContact O-N 3.14Å; V549-L596 HydrophobicContact CB-CD2 4.22Å; V549-L596 HydrophobicContact CG1-CD2 4.32Å; V549-L596 HydrophobicContact CG2-CD2 4.31Å
550R98.8Very high95Very high0 Ų066.5 Ų66.50%031%0.305CS..EExtended strand (participates in β ladder)trans-74.5125.5168.6-66.1178.9-67.2-824110.2H433 G435 V457 Y474 S475 L476 Y571 I574H433-R550 PolarHBondContact O-NH1 3.34Å; H433-R550 PolarHBondContact O-NH2 3.46Å; G435-R550 WeakPolarHBondContact O-CD 3.45Å; G435-R550 WeakPolarHBondContact O-CG 3.48Å; G435-R550 PolarHBondContact O-NH1 3.1Å; V457-R550 HydrophobicContact CG1-CB 4.44Å; V457-R550 PolarHBondContact O-NE 2.83Å; Y474-R550 PolarHBondContact O-N 2.85Å; S475-R550 CarbonylContact C-O 3.55Å; S475-R550 WeakPolarHBondContact CA-O 3.33Å; S475-R550 WeakPolarHBondContact CB-O 3.49Å; L476-R550 PolarHBondContact N-O 2.9Å; R550-Y571 HydrophobicContact CB-CE2 3.82Å; R550-Y571 HydrophobicContact CG-CE2 4.04Å; R550-I574 HydrophobicContact CB-CD1 4.43Å; R550-I574 HydrophobicContact CG-CD1 3.68Å
551V98.8Very high94.9Very high0 Ų066.6 Ų66.60%031%0.306CS..EExtended strand (participates in β ladder)trans-107.3130.4-179.71750000111.4L476 L478 F492 V549 Y571 D572 G573 Y575 L596L476-V551 HydrophobicContact CD1-CG1 4.14Å; L476-V551 HydrophobicContact CD1-CG2 4.05Å; L476-V551 HydrophobicContact CG-CG2 4.3Å; L478-V551 HydrophobicContact CD1-CG1 4.19Å; F492-V551 HydrophobicContact CE1-CG1 3.93Å; F492-V551 HydrophobicContact CE1-CG2 4.01Å; F492-V551 HydrophobicContact CZ-CB 4.45Å; F492-V551 HydrophobicContact CZ-CG1 3.86Å; F492-V551 HydrophobicContact CZ-CG2 3.69Å; V549-V551 HydrophobicContact CG1-CG2 4.5Å; V551-Y571 WeakPolarHBondContact O-CD2 3.27Å; V551-D572 PolarHBondContact O-N 3.4Å; V551-G573 PolarHBondContact N-O 3.39Å; V551-Y575 HydrophobicContact CB-CD2 3.5Å; V551-Y575 VanDerWaalsContact CB-CD2 3.5Å; V551-Y575 HydrophobicContact CB-CE2 3.59Å; V551-Y575 HydrophobicContact CB-CG 4.32Å; V551-Y575 HydrophobicContact CG1-CD2 4.34Å; V551-Y575 HydrophobicContact CG1-CE2 4.13Å; V551-Y575 HydrophobicContact CG2-CD1 4.48Å; V551-Y575 HydrophobicContact CG2-CD2 3.23Å; V551-Y575 HydrophobicContact CG2-CE2 3.86Å; V551-Y575 HydrophobicContact CG2-CG 3.63Å; V551-L596 HydrophobicContact CG2-CD2 4.5Å
552V98.7Very high95Very high0 Ų065 Ų650%030%0.299CS..EExtended strand (participates in β ladder)trans-115.8127.2174.2178.70000109.2V452 V457 H458 L476 V477 L478 N569 R570V452-V552 HydrophobicContact CG1-CG1 4.36Å; V452-V552 HydrophobicContact CG1-CG2 4.01Å; V457-V552 HydrophobicContact CG1-CG2 3.61Å; H458-V552 HydrophobicContact CB-CG2 4.45Å; L476-V552 PolarHBondContact O-N 2.65Å; V477-V552 CarbonylContact C-O 3.46Å; V477-V552 VanDerWaalsContact CA-O 3.29Å; V477-V552 WeakPolarHBondContact CA-O 3.47Å; V477-V552 HydrophobicContact CG1-CB 4.43Å; V477-V552 HydrophobicContact CG1-CG1 4.37Å; V477-V552 HydrophobicContact CG2-CB 4.29Å; L478-V552 PolarHBondContact N-O 2.69Å; V552-N569 HydrophobicContact CG1-CB 3.89Å; V552-R570 CarbonylContact C-O 3.26Å; V552-R570 VanDerWaalsContact CA-O 3.27Å; V552-R570 WeakPolarHBondContact CA-O 3.24Å; V552-R570 WeakPolarHBondContact CG1-O 3.44Å
553R98.3Very high95Very high0 Ų061.8 Ų61.80%028%0.28CS..EExtended strand (participates in β ladder)trans-97.7133.8169.1-71.2-171.4178.673.92.2110.2L478 D487 G489 P565 N569 R570 D572 Y575L478-R553 HydrophobicContact CB-CG 3.99Å; L478-R553 HydrophobicContact CD1-CG 3.92Å; D487-R553 VanDerWaalsContact CG-NE 3.32Å; D487-R553 IonicContact OD1-CZ 3.71Å; D487-R553 VanDerWaalsContact OD1-CZ 3.24Å; D487-R553 IonicContact OD1-NE 3.74Å; D487-R553 PolarHBondContact OD1-NE 2.97Å; D487-R553 IonicContact OD1-NH2 3.11Å; D487-R553 PolarHBondContact OD1-NH2 2.88Å; D487-R553 IonicContact OD2-CZ 2.9Å; D487-R553 IonicContact OD2-NE 2.79Å; D487-R553 PolarHBondContact OD2-NE 2.95Å; D487-R553 IonicContact OD2-NH2 3.6Å; G489-R553 PolarHBondContact O-NH2 3.5Å; R553-P565 WeakPolarHBondContact O-CD 3.48Å; R553-P565 WeakPolarHBondContact O-CG 3.4Å; R553-N569 CarbonylContact O-C 3.58Å; R553-N569 WeakPolarHBondContact O-CA 3.31Å; R553-R570 PolarHBondContact N-O 2.93Å; R553-R570 PolarHBondContact O-N 2.74Å; R553-D572 WeakPolarHBondContact CB-OD2 3.47Å; R553-D572 WeakPolarHBondContact CD-OD2 3.4Å; R553-D572 WeakPolarHBondContact CG-OD2 3.25Å; R553-D572 IonicContact CZ-OD2 3.38Å; R553-D572 IonicContact NE-OD2 2.97Å; R553-D572 IonicContact NH1-OD2 2.68Å; R553-D572 PolarHBondContact NH1-OD2 3.38Å; R553-Y575 PolarHBondContact NH1-OH 2.8Å; R553-Y575 VanDerWaalsContact NH1-OH 3.07Å
554S95.9Very high95Very high8 Ų859.4 Ų59.46%0.05627%0.273CS..EExtended strand (participates in β ladder)trans-109.1144.3179.6-168.90000110.8L478 K556 G557 C564 G568 N569L478-S554 PolarHBondContact O-N 3.42Å; S554-K556 PolarHBondContact O-N 3.36Å; S554-G557 PolarHBondContact O-N 3.09Å; S554-C564 PolarHBondContact O-SG 2.74Å; S554-G568 WeakPolarHBondContact CA-O 3.4Å; S554-G568 PolarHBondContact OG-O 3.37Å; S554-N569 WeakPolarHBondContact CB-OD1 3.43Å; S554-N569 PolarHBondContact OG-OD1 3.28Å
555C94.1Very high94.9Very high42 Ų4254.1 Ų54.128%0.28425%0.25SS..G310 helixtrans-60.3-19.2-177.970.90000113.7G557 R558 P565 G568C555-G557 PolarHBondContact O-N 3.33Å; C555-R558 WeakPolarHBondContact O-CB 3.49Å; C555-R558 PolarHBondContact O-N 2.81Å; C555-R558 VanDerWaalsContact O-N 3.13Å; C555-P565 VanDerWaalsContact CA-O 3.3Å; C555-P565 WeakPolarHBondContact CA-O 3.29Å; C555-P565 VanDerWaalsContact CB-O 3.23Å; C555-P565 WeakPolarHBondContact CB-O 3.44Å; C555-G568 PolarHBondContact N-O 3.35Å; C555-G568 PolarHBondContact SG-N 2.91Å; C555-G568 VanDerWaalsContact SG-N 3.38Å
556K90.1Very high94.8Very high159 Ų15954.7 Ų54.769%0.69125%0.253SS*.G310 helixtrans-57.5-35171.2-66.8-171.6176.2-170.80112.7A479 S554 R558A479-K556 CarbonylContact O-C 3.48Å; A479-K556 VanDerWaalsContact O-C 3.32Å; A479-K556 WeakPolarHBondContact O-CB 3.5Å; S554-K556 PolarHBondContact O-N 3.36Å; K556-R558 PolarHBondContact O-N 3.4Å
557G89.1Confident94.6Very high2 Ų257.9 Ų57.92%0.02127%0.266CS..G310 helixtrans-73.8-6178.100000114.7A479 S554 C555 K559 H560 S561 C564A479-G557 PolarHBondContact O-N 3.08Å; S554-G557 PolarHBondContact O-N 3.09Å; C555-G557 PolarHBondContact O-N 3.33Å; G557-K559 PolarHBondContact O-N 3.04Å; G557-K559 VanDerWaalsContact O-N 3.08Å; G557-H560 PolarHBondContact O-N 3.12Å; G557-S561 PolarHBondContact O-N 2.89Å; G557-C564 VanDerWaalsContact C-SG 3.52Å
558R90.1Very high94.4Very high126 Ų12654.3 Ų54.348%0.47525%0.252SS..G310 helixtrans-62.1-19.4-175-166.6176.3-175.3-179.89.1114.2C555 K556 H560 S561 C564 E566C555-R558 WeakPolarHBondContact O-CB 3.49Å; C555-R558 PolarHBondContact O-N 2.81Å; C555-R558 VanDerWaalsContact O-N 3.13Å; K556-R558 PolarHBondContact O-N 3.4Å; R558-H560 VanDerWaalsContact C-N 3.25Å; R558-H560 PolarHBondContact O-N 3.17Å; R558-S561 WeakPolarHBondContact CA-O 3.42Å; R558-C564 HydrophobicContact CB-CB 4.15Å; R558-E566 IonicContact CZ-OE1 3.18Å; R558-E566 VanDerWaalsContact NH1-CB 3.32Å; R558-E566 IonicContact NH1-OE1 2.83Å; R558-E566 PolarHBondContact NH1-OE1 3.27Å; R558-E566 IonicContact NH2-OE1 2.68Å; R558-E566 PolarHBondContact NH2-OE1 3.13Å
559K87.2Confident94.4Very high184 Ų18453 Ų5380%0.824%0.243SC*.G310 helixtrans-64.9-26171.6-68.1-174.6177.9-175.50113.8G557G557-K559 PolarHBondContact O-N 3.04Å; G557-K559 VanDerWaalsContact O-N 3.08Å
560H87.6Confident94.3Very high143 Ų14354.1 Ų54.166%0.66225%0.247SC*.THydrogen-bonded Turntrans-123.6-18.5-171.7-52.5-66.9000112.9G557 R558G557-H560 PolarHBondContact O-N 3.12Å; R558-H560 VanDerWaalsContact C-N 3.25Å; R558-H560 PolarHBondContact O-N 3.17Å
561S93.1Very high94.3Very high8 Ų854.3 Ų54.36%0.05625%0.248CC..  trans-131126.9178.4165.90000112.3D487 G557 R558 F563 C564D487-S561 WeakPolarHBondContact OD2-CB 3.44Å; D487-S561 PolarHBondContact OD2-OG 3.41Å; G557-S561 PolarHBondContact O-N 2.89Å; R558-S561 WeakPolarHBondContact CA-O 3.42Å; S561-F563 PolarHBondContact O-N 3.29Å; S561-F563 PolarHBondContact OG-N 3.39Å; S561-C564 PolarHBondContact OG-N 3.18Å
562K95.3Very high94.3Very high170 Ų17054.3 Ų54.374%0.73925%0.248SC*.THydrogen-bonded Turntrans-70.3-10.9170.668.4-166.1175-161.80113.7
563F97.1Very high94.3Very high27 Ų2754.3 Ų54.312%0.11825%0.248CC..THydrogen-bonded Turntrans-91.8-20.1-177.6-55.8-77.9000112.7D487 S561 R570 W606D487-F563 WeakPolarHBondContact O-CD2 3.25Å; D487-F563 WeakPolarHBondContact O-CE2 3.43Å; S561-F563 PolarHBondContact O-N 3.29Å; S561-F563 PolarHBondContact OG-N 3.39Å; F563-R570 PolarHBondContact O-NH1 3.41Å; F563-R570 PolarHBondContact O-NH2 3.36Å; F563-W606 HydrophobicContact CB-CD2 4.46Å; F563-W606 HydrophobicContact CB-CE3 4.23Å; F563-W606 HydrophobicContact CB-CZ3 4.47Å; F563-W606 HydrophobicContact CD1-CB 4.3Å; F563-W606 AromaticContact CD1-CD1 3.69Å; F563-W606 AromaticContact CD1-CD2 3.57Å; F563-W606 HydrophobicContact CD1-CD2 3.57Å; F563-W606 AromaticContact CD1-CE2 3.65Å; F563-W606 HydrophobicContact CD1-CE3 4.19Å; F563-W606 AromaticContact CD1-CG 3.61Å; F563-W606 HydrophobicContact CD1-CG 3.61Å; F563-W606 HydrophobicContact CD1-CZ2 4.29Å; F563-W606 AromaticContact CD1-NE1 3.71Å; F563-W606 AromaticContact CE1-CD1 3.72Å; F563-W606 HydrophobicContact CE1-CD2 4.29Å; F563-W606 HydrophobicContact CE1-CG 4.12Å; F563-W606 AromaticContact CE1-NE1 3.64Å; F563-W606 HydrophobicContact CG-CD2 4.44Å
564C95.9Very high94.3Very high9 Ų954.8 Ų54.86%0.06125%0.25CS..SBendtrans-56.4145.2173-72.80000112.4S554 G557 R558 S561S554-C564 PolarHBondContact O-SG 2.74Å; G557-C564 VanDerWaalsContact C-SG 3.52Å; R558-C564 HydrophobicContact CB-CB 4.15Å; S561-C564 PolarHBondContact OG-N 3.18Å
565P95.8Very high94.4Very high6 Ų654.4 Ų54.44%0.03925%0.247CC..  trans-66.9159.8176.131.4-36.8000111.4L445 R553 C555 E567 R570L445-P565 HydrophobicContact CD2-CB 4.38Å; R553-P565 WeakPolarHBondContact O-CD 3.48Å; R553-P565 WeakPolarHBondContact O-CG 3.4Å; C555-P565 VanDerWaalsContact CA-O 3.3Å; C555-P565 WeakPolarHBondContact CA-O 3.29Å; C555-P565 VanDerWaalsContact CB-O 3.23Å; C555-P565 WeakPolarHBondContact CB-O 3.44Å; P565-E567 VanDerWaalsContact C-N 3.31Å; P565-E567 PolarHBondContact O-N 2.92Å; P565-R570 HydrophobicContact CB-CB 4.08Å; P565-R570 HydrophobicContact CG-CB 4.01Å
566E92.7Very high94.7Very high147 Ų14754 Ų5469%0.68724%0.241SC*.SBendtrans-67.6-34.3179.3-55.1-149.493.200112.9R558R558-E566 IonicContact CZ-OE1 3.18Å; R558-E566 VanDerWaalsContact NH1-CB 3.32Å; R558-E566 IonicContact NH1-OE1 2.83Å; R558-E566 PolarHBondContact NH1-OE1 3.27Å; R558-E566 IonicContact NH2-OE1 2.68Å; R558-E566 PolarHBondContact NH2-OE1 3.13Å
567E92.9Very high95.1Very high72 Ų7246.4 Ų46.434%0.33621%0.208SC..SBendtrans-141.3151.6-177.6178.1174.9-140.300109.3K447 P565 M621 Y623K447-E567 HydrophobicContact CD-CG 4.01Å; K447-E567 IonicContact NZ-OE1 2.63Å; K447-E567 PolarHBondContact NZ-OE1 3.25Å; P565-E567 VanDerWaalsContact C-N 3.31Å; P565-E567 PolarHBondContact O-N 2.92Å; E567-M621 HydrophobicContact CB-CE 4.07Å; E567-M621 HydrophobicContact CG-CE 4.08Å; E567-M621 VanDerWaalsContact O-CE 3.23Å; E567-M621 WeakPolarHBondContact O-CE 3.31Å; E567-Y623 PolarHBondContact OE2-OH 2.71Å
568G94Very high95.5Very high4 Ų446.5 Ų46.54%0.04121%0.208CC..SBendtrans64.9-138.3170.100000113.6W446 S554 C555W446-G568 CarbonylContact O-C 3.44Å; W446-G568 WeakPolarHBondContact O-CA 3.49Å; S554-G568 WeakPolarHBondContact CA-O 3.4Å; S554-G568 PolarHBondContact OG-O 3.37Å; C555-G568 PolarHBondContact N-O 3.35Å; C555-G568 PolarHBondContact SG-N 2.91Å; C555-G568 VanDerWaalsContact SG-N 3.38Å
569N97.6Very high95.9Very high5 Ų543.2 Ų43.23%0.02720%0.198CC..EExtended strand (participates in β ladder)trans-140.1137.2-172.5-45.2-90.2000108.4L445 W446 K447 V452 V552 R553 S554L445-N569 CarbonylContact C-O 3.6Å; L445-N569 WeakPolarHBondContact CA-O 3.26Å; W446-N569 PolarHBondContact N-O 3.5Å; W446-N569 PolarHBondContact O-N 2.76Å; W446-N569 PolarHBondContact O-ND2 3.49Å; K447-N569 PolarHBondContact O-ND2 3.03Å; V452-N569 HydrophobicContact CG2-CB 3.87Å; V552-N569 HydrophobicContact CG1-CB 3.89Å; R553-N569 CarbonylContact O-C 3.58Å; R553-N569 WeakPolarHBondContact O-CA 3.31Å; S554-N569 WeakPolarHBondContact CB-OD1 3.43Å; S554-N569 PolarHBondContact OG-OD1 3.28Å
570R98.4Very high96.4Very high25 Ų2534.5 Ų34.59%0.09416%0.16CC..EExtended strand (participates in β ladder)trans-127.5135.4-177.4-165.9-176.766.4-133.7-14.8110.8S444 L445 V552 R553 F563 P565 D572 P605S444-R570 VanDerWaalsContact O-CA 3.3Å; S444-R570 WeakPolarHBondContact O-CA 3.45Å; L445-R570 HydrophobicContact CD2-CB 3.7Å; L445-R570 HydrophobicContact CD2-CG 3.68Å; L445-R570 HydrophobicContact CG-CG 4.07Å; V552-R570 CarbonylContact C-O 3.26Å; V552-R570 VanDerWaalsContact CA-O 3.27Å; V552-R570 WeakPolarHBondContact CA-O 3.24Å; V552-R570 WeakPolarHBondContact CG1-O 3.44Å; R553-R570 PolarHBondContact N-O 2.93Å; R553-R570 PolarHBondContact O-N 2.74Å; F563-R570 PolarHBondContact O-NH1 3.41Å; F563-R570 PolarHBondContact O-NH2 3.36Å; P565-R570 HydrophobicContact CB-CB 4.08Å; P565-R570 HydrophobicContact CG-CB 4.01Å; R570-D572 IonicContact CZ-OD1 3.31Å; R570-D572 VanDerWaalsContact CZ-OD1 3.26Å; R570-D572 IonicContact CZ-OD2 3.26Å; R570-D572 IonicContact NE-OD1 3.81Å; R570-D572 PolarHBondContact NE-OD1 3.1Å; R570-D572 IonicContact NE-OD2 2.7Å; R570-D572 VanDerWaalsContact NH2-CG 3.26Å; R570-D572 IonicContact NH2-OD1 2.98Å; R570-D572 PolarHBondContact NH2-OD1 2.86Å; R570-D572 IonicContact NH2-OD2 2.96Å; R570-D572 PolarHBondContact NH2-OD2 2.81Å; R570-P605 VanDerWaalsContact NE-CB 3.27Å
571Y98.6Very high96.9Very high3 Ų330.6 Ų30.61%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-81124.2172.4173.7-128.4000110.2V440 V442 G443 S444 V457 R550 V551 I574V440-Y571 HydrophobicContact CG1-CD1 4.48Å; V440-Y571 WeakPolarHBondContact O-CE1 3.4Å; V442-Y571 HydrophobicContact CG2-CD1 4.21Å; V442-Y571 HydrophobicContact CG2-CE1 3.79Å; G443-Y571 PolarHBondContact N-O 3.47Å; S444-Y571 PolarHBondContact O-N 3.44Å; V457-Y571 HydrophobicContact CG1-CD2 3.73Å; V457-Y571 HydrophobicContact CG1-CE2 4.31Å; V457-Y571 HydrophobicContact CG1-CG 4.1Å; R550-Y571 HydrophobicContact CB-CE2 3.82Å; R550-Y571 HydrophobicContact CG-CE2 4.04Å; V551-Y571 WeakPolarHBondContact O-CD2 3.27Å; Y571-I574 WeakPolarHBondContact OH-CD1 3.37Å
572D98.4Very high97.1Very high0 Ų032 Ų320%015%0.148CC..EExtended strand (participates in β ladder)trans-112.76-169.8-72.9-2.5000113.9V551 R553 R570 R598 W606V551-D572 PolarHBondContact O-N 3.4Å; R553-D572 WeakPolarHBondContact CB-OD2 3.47Å; R553-D572 WeakPolarHBondContact CD-OD2 3.4Å; R553-D572 WeakPolarHBondContact CG-OD2 3.25Å; R553-D572 IonicContact CZ-OD2 3.38Å; R553-D572 IonicContact NE-OD2 2.97Å; R553-D572 IonicContact NH1-OD2 2.68Å; R553-D572 PolarHBondContact NH1-OD2 3.38Å; R570-D572 IonicContact CZ-OD1 3.31Å; R570-D572 VanDerWaalsContact CZ-OD1 3.26Å; R570-D572 IonicContact CZ-OD2 3.26Å; R570-D572 IonicContact NE-OD1 3.81Å; R570-D572 PolarHBondContact NE-OD1 3.1Å; R570-D572 IonicContact NE-OD2 2.7Å; R570-D572 VanDerWaalsContact NH2-CG 3.26Å; R570-D572 IonicContact NH2-OD1 2.98Å; R570-D572 PolarHBondContact NH2-OD1 2.86Å; R570-D572 IonicContact NH2-OD2 2.96Å; R570-D572 PolarHBondContact NH2-OD2 2.81Å; D572-R598 PolarHBondContact O-NE 3.38Å; D572-R598 PolarHBondContact O-NH2 3.46Å; D572-R598 VanDerWaalsContact O-NH2 3.17Å; D572-W606 HydrophobicContact CB-CZ3 4.27Å
573G98.1Very high97.1Very high0 Ų026.5 Ų26.50%013%0.127CC..EExtended strand (participates in β ladder)trans101.2-165.4175.700000115V442 V551 Y575 D600V442-G573 VanDerWaalsContact CG2-CA 3.43Å; V551-G573 PolarHBondContact N-O 3.39Å; G573-Y575 WeakPolarHBondContact O-CD2 3.45Å; G573-D600 WeakPolarHBondContact CA-OD2 3.35Å
574I98.6Very high97Very high10 Ų1033 Ų335%0.05116%0.155CC..EExtended strand (participates in β ladder)trans-90.7135.4-178-58.7-54.4000112P436 P548 V549 R550 Y571 R598 D599 D600P436-I574 HydrophobicContact CG-CD1 4.16Å; P436-I574 HydrophobicContact CG-CG1 3.9Å; P548-I574 HydrophobicContact CB-CG2 3.34Å; V549-I574 WeakPolarHBondContact O-CA 3.43Å; R550-I574 HydrophobicContact CB-CD1 4.43Å; R550-I574 HydrophobicContact CG-CD1 3.68Å; Y571-I574 WeakPolarHBondContact OH-CD1 3.37Å; I574-R598 WeakPolarHBondContact O-CG 3.17Å; I574-D599 PolarHBondContact O-N 3.34Å; I574-D600 HydrophobicContact CB-CB 4.02Å; I574-D600 PolarHBondContact N-OD2 3.29Å
575Y98.8Very high96.8Very high0 Ų032.9 Ų32.90%016%0.155CC..EExtended strand (participates in β ladder)trans-132.4156.5175.3-61.8-116.4000108.5G489 F492 V549 V551 R553 G573 K597 R598 W606G489-Y575 WeakPolarHBondContact O-CE1 3.45Å; G489-Y575 PolarHBondContact O-OH 2.82Å; F492-Y575 HydrophobicContact CD1-CD1 4.06Å; F492-Y575 AromaticContact CD1-CE1 3.98Å; F492-Y575 HydrophobicContact CD1-CE1 3.98Å; F492-Y575 AromaticContact CE1-CD1 3.48Å; F492-Y575 HydrophobicContact CE1-CD1 3.48Å; F492-Y575 VanDerWaalsContact CE1-CD1 3.48Å; F492-Y575 AromaticContact CE1-CE1 3.62Å; F492-Y575 HydrophobicContact CE1-CE1 3.62Å; F492-Y575 HydrophobicContact CE1-CG 4.02Å; F492-Y575 HydrophobicContact CZ-CD1 4.47Å; V549-Y575 PolarHBondContact N-O 2.82Å; V549-Y575 PolarHBondContact O-N 3.14Å; V551-Y575 HydrophobicContact CB-CD2 3.5Å; V551-Y575 VanDerWaalsContact CB-CD2 3.5Å; V551-Y575 HydrophobicContact CB-CE2 3.59Å; V551-Y575 HydrophobicContact CB-CG 4.32Å; V551-Y575 HydrophobicContact CG1-CD2 4.34Å; V551-Y575 HydrophobicContact CG1-CE2 4.13Å; V551-Y575 HydrophobicContact CG2-CD1 4.48Å; V551-Y575 HydrophobicContact CG2-CD2 3.23Å; V551-Y575 HydrophobicContact CG2-CE2 3.86Å; V551-Y575 HydrophobicContact CG2-CG 3.63Å; R553-Y575 PolarHBondContact NH1-OH 2.8Å; R553-Y575 VanDerWaalsContact NH1-OH 3.07Å; G573-Y575 WeakPolarHBondContact O-CD2 3.45Å; Y575-K597 CarbonylContact C-O 3.5Å; Y575-K597 VanDerWaalsContact CA-O 3.23Å; Y575-K597 WeakPolarHBondContact CA-O 3.4Å; Y575-K597 WeakPolarHBondContact CB-O 3.4Å; Y575-R598 VanDerWaalsContact CD1-CA 3.5Å; Y575-R598 HydrophobicContact CD1-CB 3.74Å; Y575-R598 HydrophobicContact CD1-CG 4.22Å; Y575-R598 HydrophobicContact CD2-CG 4.34Å; Y575-R598 HydrophobicContact CE1-CB 3.55Å; Y575-R598 HydrophobicContact CE1-CG 3.88Å; Y575-R598 HydrophobicContact CE2-CG 3.96Å; Y575-R598 HydrophobicContact CG-CB 4.32Å; Y575-R598 HydrophobicContact CG-CG 4.44Å; Y575-W606 WeakPolarHBondContact OH-CH2 3.3Å
576K98.6Very high96.5Very high33 Ų3339.7 Ų39.714%0.14318%0.184CC..EExtended strand (participates in β ladder)trans-128.6146.8177.9-69.4170.2-178.1166.50109.6W543 K544 G546 A578 L596 K597 D599W543-K576 HydrophobicContact CE3-CB 3.99Å; W543-K576 HydrophobicContact CZ3-CB 4.27Å; K544-K576 WeakPolarHBondContact O-CD 3.15Å; K544-K576 WeakPolarHBondContact O-CE 3.47Å; K544-K576 PolarHBondContact O-NZ 2.86Å; G546-K576 VanDerWaalsContact O-CD 3.3Å; G546-K576 WeakPolarHBondContact O-CD 3.36Å; G546-K576 VanDerWaalsContact O-CE 3.3Å; G546-K576 WeakPolarHBondContact O-CE 3.2Å; K576-A578 PolarHBondContact O-N 3.06Å; K576-L596 WeakPolarHBondContact O-CA 3.27Å; K576-K597 PolarHBondContact N-O 2.92Å; K576-K597 PolarHBondContact O-N 3.45Å; K576-D599 HydrophobicContact CD-CB 4.1Å; K576-D599 WeakPolarHBondContact CD-OD2 3.31Å; K576-D599 WeakPolarHBondContact CE-OD2 3.36Å; K576-D599 IonicContact NZ-OD2 2.74Å; K576-D599 PolarHBondContact NZ-OD2 2.64Å
577V98.6Very high96.2Very high0 Ų035.3 Ų35.30%017%0.17CC..EExtended strand (participates in β ladder)trans-78.4112.2-179179.20000108.7L524 N527 C528 L596L524-V577 HydrophobicContact CD1-CG2 3.78Å; L524-V577 HydrophobicContact CG-CG2 4.21Å; N527-V577 HydrophobicContact CB-CB 4.27Å; N527-V577 HydrophobicContact CB-CG2 3.82Å; C528-V577 HydrophobicContact CB-CB 4.14Å; C528-V577 HydrophobicContact CB-CG1 3.85Å; C528-V577 PolarHBondContact SG-O 2.98Å; V577-L596 HydrophobicContact CG2-CD1 4.3Å; V577-L596 HydrophobicContact CG2-CD2 4.33Å; V577-L596 HydrophobicContact CG2-CG 4.01Å
578A98.1Very high96Very high4 Ų433.7 Ų33.73%0.03317%0.173CC..EExtended strand (participates in β ladder)trans-82-39.7178.600000112.2C528 S540 W543 K576 L595 K597C528-A578 PolarHBondContact SG-O 3.32Å; S540-A578 PolarHBondContact N-O 3.24Å; W543-A578 HydrophobicContact CB-CB 3.85Å; W543-A578 HydrophobicContact CD2-CB 4.48Å; W543-A578 HydrophobicContact CG-CB 4.08Å; K576-A578 PolarHBondContact O-N 3.06Å; A578-L595 HydrophobicContact CB-CD2 4.5Å; A578-L595 HydrophobicContact CB-CG 4.42Å; A578-L595 PolarHBondContact N-O 3.28Å; A578-K597 HydrophobicContact CB-CD 4.04Å; A578-K597 HydrophobicContact CB-CG 4.15Å
579K98.1Very high95.9Very high57 Ų5736.8 Ų36.825%0.24819%0.185CC..EExtended strand (participates in β ladder)trans-153.4162.1167.858.6153.8154.6-98.80112A538 E539 W581 L595A538-K579 CarbonylContact O-C 3.52Å; A538-K579 VanDerWaalsContact O-CA 3.24Å; A538-K579 WeakPolarHBondContact O-CA 3.09Å; A538-K579 WeakPolarHBondContact O-CB 3.36Å; E539-K579 HydrophobicContact CB-CB 3.57Å; E539-K579 HydrophobicContact CB-CD 4.44Å; E539-K579 HydrophobicContact CG-CB 3.79Å; E539-K579 HydrophobicContact CG-CD 4.47Å; E539-K579 HydrophobicContact CG-CG 4.4Å; E539-K579 IonicContact OE1-NZ 2.71Å; E539-K579 PolarHBondContact OE1-NZ 3.29Å; E539-K579 IonicContact OE2-NZ 3.91Å; E539-K579 PolarHBondContact OE2-NZ 2.98Å; K579-W581 HydrophobicContact CD-CE3 3.71Å; K579-W581 HydrophobicContact CD-CZ3 3.84Å; K579-W581 HydrophobicContact CG-CE3 4.02Å; K579-W581 HydrophobicContact CG-CZ3 3.88Å; K579-L595 HydrophobicContact CG-CB 3.88Å; K579-L595 HydrophobicContact CG-CD2 4.14Å; K579-L595 PolarHBondContact O-N 3.1Å
580Y98.5Very high95.6Very high2 Ų239.3 Ų39.31%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-140.7146.5168.572-78.7000110.3L517 A525 C528 V532 N533 G537 A538 W592 R593 Y594L517-Y580 HydrophobicContact CD1-CD2 4.27Å; L517-Y580 HydrophobicContact CD1-CE2 4.25Å; L517-Y580 HydrophobicContact CD2-CE2 3.8Å; A525-Y580 HydrophobicContact CB-CD1 4.11Å; A525-Y580 HydrophobicContact CB-CD2 3.82Å; A525-Y580 HydrophobicContact CB-CE1 3.93Å; A525-Y580 HydrophobicContact CB-CE2 3.64Å; A525-Y580 HydrophobicContact CB-CG 4.08Å; C528-Y580 HydrophobicContact CB-CD1 4.06Å; C528-Y580 HydrophobicContact CB-CE1 4.25Å; V532-Y580 WeakPolarHBondContact CA-OH 3.32Å; N533-Y580 PolarHBondContact N-OH 3.29Å; N533-Y580 PolarHBondContact O-OH 2.79Å; G537-Y580 CarbonylContact C-O 3.07Å; G537-Y580 VanDerWaalsContact CA-O 3.23Å; G537-Y580 WeakPolarHBondContact CA-O 3.41Å; A538-Y580 HydrophobicContact CB-CE1 3.88Å; A538-Y580 PolarHBondContact N-O 2.96Å; A538-Y580 PolarHBondContact O-N 2.77Å; Y580-W592 AromaticContact CD2-CE3 3.86Å; Y580-W592 HydrophobicContact CD2-CE3 3.86Å; Y580-W592 AromaticContact CD2-CZ3 3.65Å; Y580-W592 HydrophobicContact CD2-CZ3 3.65Å; Y580-W592 HydrophobicContact CE2-CE3 4.34Å; Y580-W592 AromaticContact CE2-CZ3 3.74Å; Y580-W592 HydrophobicContact CE2-CZ3 3.74Å; Y580-R593 CarbonylContact C-O 3.57Å; Y580-R593 WeakPolarHBondContact CA-O 3.46Å; Y580-R593 WeakPolarHBondContact CB-O 3.48Å; Y580-Y594 HydrophobicContact CD2-CE1 4.26Å; Y580-Y594 HydrophobicContact CG-CD1 4.22Å; Y580-Y594 HydrophobicContact CG-CE1 4.16Å
581W98.3Very high95.5Very high60 Ų6038.2 Ų38.223%0.22719%0.194CC..EExtended strand (participates in β ladder)trans-153.6153-175.867.3102.7000111.6T493 K579 D583 W592 R593 L595T493-W581 HydrophobicContact CG2-CH2 3.76Å; T493-W581 HydrophobicContact CG2-CZ2 4.11Å; K579-W581 HydrophobicContact CD-CE3 3.71Å; K579-W581 HydrophobicContact CD-CZ3 3.84Å; K579-W581 HydrophobicContact CG-CE3 4.02Å; K579-W581 HydrophobicContact CG-CZ3 3.88Å; W581-D583 PolarHBondContact NE1-OD2 3.11Å; W581-D583 VanDerWaalsContact NE1-OD2 3.07Å; W581-W592 VanDerWaalsContact C-CE3 3.48Å; W581-R593 HydrophobicContact CD2-CB 4.08Å; W581-R593 HydrophobicContact CE3-CB 4.39Å; W581-R593 HydrophobicContact CH2-CB 4.07Å; W581-R593 HydrophobicContact CZ2-CB 3.73Å; W581-R593 HydrophobicContact CZ3-CB 4.38Å; W581-R593 PolarHBondContact N-O 2.99Å; W581-R593 PolarHBondContact O-N 2.76Å; W581-L595 HydrophobicContact CH2-CB 4.37Å; W581-L595 HydrophobicContact CZ3-CB 3.93Å
582P97.3Very high95.4Very high37 Ų3738.5 Ų38.524%0.2420%0.195CC..EExtended strand (participates in β ladder)trans-79.6141.5165.132.9-29.4000109.7N536 L590 W592N536-P582 WeakPolarHBondContact O-CD 3.38Å; P582-L590 HydrophobicContact CB-CD1 4.12Å; P582-L590 HydrophobicContact CB-CD2 3.94Å; P582-L590 HydrophobicContact CB-CG 4.15Å; P582-W592 HydrophobicContact CB-CD2 4.19Å; P582-W592 HydrophobicContact CB-CE3 4.3Å; P582-W592 HydrophobicContact CB-CH2 4.08Å; P582-W592 HydrophobicContact CB-CZ2 3.91Å; P582-W592 HydrophobicContact CB-CZ3 4.27Å; P582-W592 VanDerWaalsContact CD-CZ3 3.48Å; P582-W592 HydrophobicContact CG-CH2 3.91Å; P582-W592 HydrophobicContact CG-CZ2 4.15Å; P582-W592 HydrophobicContact CG-CZ3 4.18Å
583D95.7Very high95.4Very high56 Ų5640.4 Ų40.430%0.29920%0.202SC..EExtended strand (participates in β ladder)trans-145.5162.4-174.9-156.4-12000109.8W581 G585 L590 V591 R593W581-D583 PolarHBondContact NE1-OD2 3.11Å; W581-D583 VanDerWaalsContact NE1-OD2 3.07Å; D583-G585 PolarHBondContact O-N 2.94Å; D583-L590 CarbonylContact O-C 3.48Å; D583-L590 WeakPolarHBondContact O-CA 3.35Å; D583-V591 PolarHBondContact N-O 3.13Å; D583-V591 PolarHBondContact O-N 3.08Å; D583-R593 HydrophobicContact CB-CG 3.91Å; D583-R593 WeakPolarHBondContact OD2-CD 3.39Å; D583-R593 IonicContact OD2-CZ 3.89Å; D583-R593 IonicContact OD2-NE 3.37Å; D583-R593 IonicContact OD2-NH1 3.42Å; D583-R593 PolarHBondContact OD2-NH1 3.13Å
584K95Very high95.4Very high163 Ų16340.4 Ų40.471%0.70920%0.202SC*.EExtended strand (participates in β ladder)trans-90.9107.4174.3-163.5174.9-171.41780109.3G588K584-G588 WeakPolarHBondContact CE-O 3.17Å
585G91.4Very high95.4Very high6 Ų641.1 Ų41.16%0.06221%0.206CC..  trans-67.9166.2-178.100000113D484 D583 S587 G588 F589D484-G585 WeakPolarHBondContact OD2-CA 3.43Å; D583-G585 PolarHBondContact O-N 2.94Å; G585-S587 PolarHBondContact O-N 3.37Å; G585-S587 VanDerWaalsContact O-N 3.17Å; G585-G588 PolarHBondContact O-N 2.98Å; G585-F589 PolarHBondContact N-O 2.83Å
586K89.3Confident95.4Very high150 Ų15041.1 Ų41.165%0.65221%0.206SC*.THydrogen-bonded Turntrans-55.8-33.8-179.5-76.2159.4-169.1176.70113.5E483 D484 G588E483-K586 HydrophobicContact CB-CD 4.31Å; E483-K586 HydrophobicContact CG-CB 4.03Å; E483-K586 HydrophobicContact CG-CD 4.27Å; E483-K586 WeakPolarHBondContact O-CD 3.38Å; E483-K586 WeakPolarHBondContact O-CE 3.14Å; E483-K586 PolarHBondContact O-NZ 2.94Å; D484-K586 WeakPolarHBondContact OD1-CD 3.2Å; D484-K586 WeakPolarHBondContact OD1-CG 3.32Å; D484-K586 PolarHBondContact OD1-N 2.78Å; D484-K586 PolarHBondContact OD2-N 3.24Å; K586-G588 PolarHBondContact O-N 2.94Å
587S86.1Confident95.4Very high55 Ų5542.2 Ų42.239%0.38521%0.211SC..THydrogen-bonded Turntrans-78.86.8176.3-65.10000114E483 G585 F589E483-S587 WeakPolarHBondContact OE1-CB 3.22Å; E483-S587 PolarHBondContact OE1-OG 3.18Å; G585-S587 PolarHBondContact O-N 3.37Å; G585-S587 VanDerWaalsContact O-N 3.17Å; S587-F589 VanDerWaalsContact C-N 3.31Å; S587-F589 WeakPolarHBondContact O-CD2 3.23Å; S587-F589 PolarHBondContact O-N 2.92Å
588G88.6Confident95.4Very high38 Ų3844 Ų4439%0.39222%0.218SC..SBendtrans84.8-10.3172.100000116K584 G585 K586K584-G588 WeakPolarHBondContact CE-O 3.17Å; G585-G588 PolarHBondContact O-N 2.98Å; K586-G588 PolarHBondContact O-N 2.94Å
589F91.4Very high95.4Very high69 Ų6945.5 Ų45.530%0.30323%0.225SC..SBendtrans-87160.4173.9-62-76.1000112.1Q511 S512 D514 G585 S587Q511-F589 HydrophobicContact CB-CD2 3.92Å; Q511-F589 WeakPolarHBondContact O-CE2 3.4Å; S512-F589 WeakPolarHBondContact O-CE1 3.25Å; S512-F589 WeakPolarHBondContact O-CZ 3.43Å; D514-F589 WeakPolarHBondContact OD1-CA 3.13Å; G585-F589 PolarHBondContact N-O 2.83Å; S587-F589 VanDerWaalsContact C-N 3.31Å; S587-F589 WeakPolarHBondContact O-CD2 3.23Å; S587-F589 PolarHBondContact O-N 2.92Å
590L92.3Very high95.3Very high58 Ų5844.1 Ų44.130%0.30422%0.22SC..EExtended strand (participates in β ladder)trans-69.3129.2171.4-174.3155.9000110D514 Q515 P582 D583D514-L590 HydrophobicContact CB-CB 3.93Å; D514-L590 PolarHBondContact OD1-N 2.99Å; Q515-L590 PolarHBondContact N-O 2.87Å; Q515-L590 VanDerWaalsContact O-CD2 3.32Å; Q515-L590 WeakPolarHBondContact O-CD2 3.1Å; P582-L590 HydrophobicContact CB-CD1 4.12Å; P582-L590 HydrophobicContact CB-CD2 3.94Å; P582-L590 HydrophobicContact CB-CG 4.15Å; D583-L590 CarbonylContact O-C 3.48Å; D583-L590 WeakPolarHBondContact O-CA 3.35Å
591V95.4Very high95.1Very high1 Ų152.3 Ų52.31%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-123.7145.6173.8-63.20000109.9T495 Q515 D583 R593T495-V591 HydrophobicContact CG2-CB 3.95Å; T495-V591 HydrophobicContact CG2-CG1 4.27Å; T495-V591 HydrophobicContact CG2-CG2 4.34Å; Q515-V591 HydrophobicContact CG-CB 4.5Å; Q515-V591 HydrophobicContact CG-CG1 4.32Å; D583-V591 PolarHBondContact N-O 3.13Å; D583-V591 PolarHBondContact O-N 3.08Å; V591-R593 HydrophobicContact CG2-CG 3.95Å
592W97.3Very high94.9Very high10 Ų1052.3 Ų52.34%0.03827%0.267CS..EExtended strand (participates in β ladder)trans-87.9129.2171.8-79.988.2000109.8T495 G496 Q515 L517 Y580 W581 P582 Y594T495-W592 CarbonylContact C-O 3.53Å; G496-W592 PolarHBondContact N-O 2.87Å; Q515-W592 VanDerWaalsContact O-CD1 3.23Å; Q515-W592 PolarHBondContact O-NE1 3.26Å; Q515-W592 VanDerWaalsContact O-NE1 3.14Å; L517-W592 HydrophobicContact CB-CD2 4.27Å; L517-W592 HydrophobicContact CB-CH2 4.32Å; L517-W592 HydrophobicContact CB-CZ2 3.8Å; L517-W592 HydrophobicContact CD1-CD2 3.64Å; L517-W592 HydrophobicContact CD1-CE3 3.66Å; L517-W592 HydrophobicContact CD1-CG 4.1Å; L517-W592 HydrophobicContact CD1-CH2 4.37Å; L517-W592 HydrophobicContact CD1-CZ2 4.4Å; L517-W592 HydrophobicContact CD1-CZ3 4.02Å; L517-W592 HydrophobicContact CD2-CH2 4.17Å; L517-W592 HydrophobicContact CD2-CZ2 4.5Å; L517-W592 HydrophobicContact CD2-CZ3 4.31Å; L517-W592 HydrophobicContact CG-CD2 4.49Å; L517-W592 HydrophobicContact CG-CZ2 4.45Å; Y580-W592 AromaticContact CD2-CE3 3.86Å; Y580-W592 HydrophobicContact CD2-CE3 3.86Å; Y580-W592 AromaticContact CD2-CZ3 3.65Å; Y580-W592 HydrophobicContact CD2-CZ3 3.65Å; Y580-W592 HydrophobicContact CE2-CE3 4.34Å; Y580-W592 AromaticContact CE2-CZ3 3.74Å; Y580-W592 HydrophobicContact CE2-CZ3 3.74Å; W581-W592 VanDerWaalsContact C-CE3 3.48Å; P582-W592 HydrophobicContact CB-CD2 4.19Å; P582-W592 HydrophobicContact CB-CE3 4.3Å; P582-W592 HydrophobicContact CB-CH2 4.08Å; P582-W592 HydrophobicContact CB-CZ2 3.91Å; P582-W592 HydrophobicContact CB-CZ3 4.27Å; P582-W592 VanDerWaalsContact CD-CZ3 3.48Å; P582-W592 HydrophobicContact CG-CH2 3.91Å; P582-W592 HydrophobicContact CG-CZ2 4.15Å; P582-W592 HydrophobicContact CG-CZ3 4.18Å; W592-Y594 HydrophobicContact CB-CE2 3.81Å; W592-Y594 WeakPolarHBondContact CB-OH 3.16Å; W592-Y594 WeakPolarHBondContact O-CE2 3.41Å
593R97.8Very high94.9Very high40 Ų4052.3 Ų52.315%0.15127%0.267CS..EExtended strand (participates in β ladder)trans-118.8140.6-175.2-56.6-172.280.6-166.27110.2D484 T493 Y494 Y580 W581 D583 V591D484-R593 PolarHBondContact O-NH2 3.26Å; T493-R593 HydrophobicContact CG2-CB 3.93Å; Y494-R593 WeakPolarHBondContact O-CA 3.27Å; Y580-R593 CarbonylContact C-O 3.57Å; Y580-R593 WeakPolarHBondContact CA-O 3.46Å; Y580-R593 WeakPolarHBondContact CB-O 3.48Å; W581-R593 HydrophobicContact CD2-CB 4.08Å; W581-R593 HydrophobicContact CE3-CB 4.39Å; W581-R593 HydrophobicContact CH2-CB 4.07Å; W581-R593 HydrophobicContact CZ2-CB 3.73Å; W581-R593 HydrophobicContact CZ3-CB 4.38Å; W581-R593 PolarHBondContact N-O 2.99Å; W581-R593 PolarHBondContact O-N 2.76Å; D583-R593 HydrophobicContact CB-CG 3.91Å; D583-R593 WeakPolarHBondContact OD2-CD 3.39Å; D583-R593 IonicContact OD2-CZ 3.89Å; D583-R593 IonicContact OD2-NE 3.37Å; D583-R593 IonicContact OD2-NH1 3.42Å; D583-R593 PolarHBondContact OD2-NH1 3.13Å; V591-R593 HydrophobicContact CG2-CG 3.95Å
594Y98.4Very high95Very high0 Ų049.9 Ų49.90%025%0.254CS..EExtended strand (participates in β ladder)trans-130119.4-173.9-54.2-99.7000109T493 Y494 L517 N521 L524 A525 Y580 W592 L596T493-Y594 CarbonylContact C-O 3.58Å; T493-Y594 WeakPolarHBondContact CA-O 3.4Å; Y494-Y594 PolarHBondContact N-O 2.84Å; Y494-Y594 PolarHBondContact O-N 3.48Å; L517-Y594 VanDerWaalsContact CD1-OH 3.3Å; L517-Y594 WeakPolarHBondContact CD1-OH 3.36Å; N521-Y594 WeakPolarHBondContact CA-OH 3.43Å; N521-Y594 VanDerWaalsContact CB-OH 3.31Å; N521-Y594 WeakPolarHBondContact CB-OH 3.35Å; N521-Y594 PolarHBondContact O-OH 3Å; N521-Y594 VanDerWaalsContact O-OH 3.09Å; L524-Y594 HydrophobicContact CB-CD1 4.11Å; L524-Y594 HydrophobicContact CB-CE1 3.93Å; L524-Y594 HydrophobicContact CD2-CD1 3.74Å; L524-Y594 HydrophobicContact CD2-CD2 3.79Å; L524-Y594 HydrophobicContact CD2-CE1 4.17Å; L524-Y594 HydrophobicContact CD2-CE2 4.23Å; L524-Y594 HydrophobicContact CD2-CG 3.56Å; L524-Y594 HydrophobicContact CG-CD1 3.61Å; L524-Y594 HydrophobicContact CG-CE1 3.97Å; L524-Y594 HydrophobicContact CG-CG 3.98Å; A525-Y594 HydrophobicContact CB-CE1 4.28Å; Y580-Y594 HydrophobicContact CD2-CE1 4.26Å; Y580-Y594 HydrophobicContact CG-CD1 4.22Å; Y580-Y594 HydrophobicContact CG-CE1 4.16Å; W592-Y594 HydrophobicContact CB-CE2 3.81Å; W592-Y594 WeakPolarHBondContact CB-OH 3.16Å; W592-Y594 WeakPolarHBondContact O-CE2 3.41Å; Y594-L596 PolarHBondContact O-N 3.46Å
595L98.6Very high95.1Very high25 Ų2542.3 Ų42.313%0.13122%0.222CC..EExtended strand (participates in β ladder)trans-85.9107.1171.9177.959.3000108.8E491 A578 K579 W581 K597E491-L595 HydrophobicContact CB-CD1 4.48Å; A578-L595 HydrophobicContact CB-CD2 4.5Å; A578-L595 HydrophobicContact CB-CG 4.42Å; A578-L595 PolarHBondContact N-O 3.28Å; K579-L595 HydrophobicContact CG-CB 3.88Å; K579-L595 HydrophobicContact CG-CD2 4.14Å; K579-L595 PolarHBondContact O-N 3.1Å; W581-L595 HydrophobicContact CH2-CB 4.37Å; W581-L595 HydrophobicContact CZ3-CB 3.93Å; L595-K597 HydrophobicContact CG-CG 4.45Å
596L98.6Very high95.3Very high0 Ų044.2 Ų44.20%023%0.227CC..EExtended strand (participates in β ladder)trans-97.9136.1173.1-76.792.5000110.3L476 E491 F492 V549 V551 K576 V577 Y594L476-L596 HydrophobicContact CD2-CD1 4.24Å; L476-L596 HydrophobicContact CD2-CD2 3.87Å; E491-L596 CarbonylContact C-O 3.51Å; E491-L596 WeakPolarHBondContact CA-O 3.31Å; E491-L596 WeakPolarHBondContact CB-O 3.35Å; F492-L596 HydrophobicContact CD1-CB 4.32Å; F492-L596 HydrophobicContact CD2-CB 4.32Å; F492-L596 HydrophobicContact CE1-CB 3.92Å; F492-L596 HydrophobicContact CE2-CB 3.93Å; F492-L596 HydrophobicContact CE2-CD1 3.92Å; F492-L596 HydrophobicContact CE2-CD2 4.31Å; F492-L596 HydrophobicContact CE2-CG 4.26Å; F492-L596 HydrophobicContact CZ-CB 3.7Å; F492-L596 HydrophobicContact CZ-CD1 4.33Å; F492-L596 HydrophobicContact CZ-CD2 3.92Å; F492-L596 HydrophobicContact CZ-CG 4.18Å; F492-L596 PolarHBondContact N-O 2.84Å; F492-L596 PolarHBondContact O-N 2.94Å; V549-L596 HydrophobicContact CB-CD2 4.22Å; V549-L596 HydrophobicContact CG1-CD2 4.32Å; V549-L596 HydrophobicContact CG2-CD2 4.31Å; V551-L596 HydrophobicContact CG2-CD2 4.5Å; K576-L596 WeakPolarHBondContact O-CA 3.27Å; V577-L596 HydrophobicContact CG2-CD1 4.3Å; V577-L596 HydrophobicContact CG2-CD2 4.33Å; V577-L596 HydrophobicContact CG2-CG 4.01Å; Y594-L596 PolarHBondContact O-N 3.46Å
597K98.6Very high95.6Very high56 Ų5639.2 Ų39.224%0.24321%0.21CC..EExtended strand (participates in β ladder)trans-123.5140.1175.9-61.1-172.3-175.9-111.20110E491 W543 Y575 K576 A578 L595E491-K597 HydrophobicContact CB-CG 3.96Å; E491-K597 WeakPolarHBondContact OE2-CE 3.49Å; E491-K597 IonicContact OE2-NZ 2.74Å; E491-K597 PolarHBondContact OE2-NZ 2.92Å; W543-K597 HydrophobicContact CE3-CB 4Å; W543-K597 HydrophobicContact CH2-CB 3.67Å; W543-K597 HydrophobicContact CZ2-CB 4.21Å; W543-K597 HydrophobicContact CZ2-CD 4.29Å; W543-K597 HydrophobicContact CZ3-CB 3.55Å; Y575-K597 CarbonylContact C-O 3.5Å; Y575-K597 VanDerWaalsContact CA-O 3.23Å; Y575-K597 WeakPolarHBondContact CA-O 3.4Å; Y575-K597 WeakPolarHBondContact CB-O 3.4Å; K576-K597 PolarHBondContact N-O 2.92Å; K576-K597 PolarHBondContact O-N 3.45Å; A578-K597 HydrophobicContact CB-CD 4.04Å; A578-K597 HydrophobicContact CB-CG 4.15Å; L595-K597 HydrophobicContact CG-CG 4.45Å
598R98.3Very high96.1Very high38 Ų3844.1 Ų44.114%0.14322%0.22CC..EExtended strand (participates in β ladder)trans-70.8134.6-176.8-161.5172.9-172.4-81.6-7.6111.1N490 D572 I574 Y575 D600 E602N490-R598 VanDerWaalsContact O-CB 3.29Å; N490-R598 WeakPolarHBondContact O-CB 3.46Å; N490-R598 PolarHBondContact O-N 3.18Å; D572-R598 PolarHBondContact O-NE 3.38Å; D572-R598 PolarHBondContact O-NH2 3.46Å; D572-R598 VanDerWaalsContact O-NH2 3.17Å; I574-R598 WeakPolarHBondContact O-CG 3.17Å; Y575-R598 VanDerWaalsContact CD1-CA 3.5Å; Y575-R598 HydrophobicContact CD1-CB 3.74Å; Y575-R598 HydrophobicContact CD1-CG 4.22Å; Y575-R598 HydrophobicContact CD2-CG 4.34Å; Y575-R598 HydrophobicContact CE1-CB 3.55Å; Y575-R598 HydrophobicContact CE1-CG 3.88Å; Y575-R598 HydrophobicContact CE2-CG 3.96Å; Y575-R598 HydrophobicContact CG-CB 4.32Å; Y575-R598 HydrophobicContact CG-CG 4.44Å; R598-D600 HydrophobicContact CG-CB 4.25Å; R598-D600 IonicContact CZ-OD1 3.51Å; R598-D600 PolarHBondContact NH1-O 2.09Å; R598-D600 IonicContact NH1-OD1 3.45Å; R598-D600 IonicContact NH2-OD1 3.54Å; R598-D600 PolarHBondContact NH2-OD1 3.31Å; R598-D600 IonicContact NH2-OD2 3.66Å; R598-E602 PolarHBondContact NH1-O 2.62Å; R598-E602 PolarHBondContact NH2-O 3.34Å
599D97.9Very high96.4Very high34 Ų3447.8 Ų47.818%0.18223%0.227CC..  trans-146.476.8179-162.439.6000108.6W543 K544 I574 K576W543-D599 HydrophobicContact CH2-CB 4.21Å; W543-D599 HydrophobicContact CZ3-CB 3.91Å; K544-D599 WeakPolarHBondContact CD-OD1 3.24Å; K544-D599 WeakPolarHBondContact CE-OD1 3.5Å; K544-D599 IonicContact NZ-OD1 2.92Å; K544-D599 PolarHBondContact NZ-OD1 2.8Å; I574-D599 PolarHBondContact O-N 3.34Å; K576-D599 HydrophobicContact CD-CB 4.1Å; K576-D599 WeakPolarHBondContact CD-OD2 3.31Å; K576-D599 WeakPolarHBondContact CE-OD2 3.36Å; K576-D599 IonicContact NZ-OD2 2.74Å; K576-D599 PolarHBondContact NZ-OD2 2.64Å
600D97.1Very high96.6Very high28 Ų2844.5 Ų44.515%0.1521%0.213CC..  trans-157.5126.4-165.3179-66.9000108.9G573 I574 R598 E602G573-D600 WeakPolarHBondContact CA-OD2 3.35Å; I574-D600 HydrophobicContact CB-CB 4.02Å; I574-D600 PolarHBondContact N-OD2 3.29Å; R598-D600 HydrophobicContact CG-CB 4.25Å; R598-D600 IonicContact CZ-OD1 3.51Å; R598-D600 PolarHBondContact NH1-O 2.09Å; R598-D600 IonicContact NH1-OD1 3.45Å; R598-D600 IonicContact NH2-OD1 3.54Å; R598-D600 PolarHBondContact NH2-OD1 3.31Å; R598-D600 IonicContact NH2-OD2 3.66Å; D600-E602 VanDerWaalsContact C-N 3.34Å; D600-E602 PolarHBondContact O-N 2.62Å; D600-E602 WeakPolarHBondContact OD1-CA 3.3Å; D600-E602 WeakPolarHBondContact OD1-CB 3.39Å; D600-E602 PolarHBondContact OD1-N 2.74Å
601D94.3Very high96.6Very high174 Ų17447.8 Ų47.893%0.9322%0.224SC*.SBendtrans-78.9-12.9-173.4-55.3-58.6000113.8
602E94.8Very high96.5Very high60 Ų6052.5 Ų52.528%0.2825%0.246SC..SBendtrans-77.6136.4175.1-51.4-159.3149.100109.7V442 R598 D600 A604 R613V442-E602 WeakPolarHBondContact CA-OE2 3.46Å; V442-E602 HydrophobicContact CB-CB 3.93Å; V442-E602 WeakPolarHBondContact CB-OE2 3.13Å; V442-E602 HydrophobicContact CG2-CB 3.9Å; V442-E602 HydrophobicContact CG2-CG 4.26Å; V442-E602 VanDerWaalsContact CG2-OE2 3.28Å; V442-E602 WeakPolarHBondContact CG2-OE2 3.35Å; V442-E602 PolarHBondContact N-OE2 3.39Å; R598-E602 PolarHBondContact NH1-O 2.62Å; R598-E602 PolarHBondContact NH2-O 3.34Å; D600-E602 VanDerWaalsContact C-N 3.34Å; D600-E602 PolarHBondContact O-N 2.62Å; D600-E602 WeakPolarHBondContact OD1-CA 3.3Å; D600-E602 WeakPolarHBondContact OD1-CB 3.39Å; D600-E602 PolarHBondContact OD1-N 2.74Å; E602-A604 PolarHBondContact O-N 3.03Å; E602-R613 VanDerWaalsContact CD-CZ 3.46Å; E602-R613 VanDerWaalsContact CD-NH1 3.3Å; E602-R613 IonicContact OE1-CZ 3.39Å; E602-R613 IonicContact OE1-NH1 3.24Å; E602-R613 IonicContact OE1-NH2 2.68Å; E602-R613 PolarHBondContact OE1-NH2 3.39Å; E602-R613 IonicContact OE2-CZ 3.9Å; E602-R613 VanDerWaalsContact OE2-CZ 3.29Å; E602-R613 IonicContact OE2-NH1 3.43Å; E602-R613 PolarHBondContact OE2-NH1 2.68Å; E602-R613 IonicContact OE2-NH2 3.39Å; E602-R613 PolarHBondContact OE2-NH2 3.01Å
603P96.5Very high96.2Very high37 Ų3754.9 Ų54.924%0.2426%0.255CS..PPolyproline II helixtrans-67.9131.8-174.925.7-34.7000112.2E609 R613P603-E609 HydrophobicContact CB-CB 3.82Å; P603-E609 HydrophobicContact CG-CB 4.25Å; P603-R613 HydrophobicContact CG-CB 4.3Å
604A97.3Very high96Very high5 Ų554.4 Ų54.44%0.04126%0.255CS..PPolyproline II helixtrans-61134.7-172.100000112.7E602 W606 T607E602-A604 PolarHBondContact O-N 3.03Å; A604-W606 VanDerWaalsContact C-N 3.27Å; A604-W606 HydrophobicContact CB-CD2 4.27Å; A604-W606 HydrophobicContact CB-CH2 3.9Å; A604-W606 HydrophobicContact CB-CZ2 3.6Å; A604-W606 HydrophobicContact CB-CZ3 4.34Å; A604-W606 PolarHBondContact O-N 3.16Å; A604-T607 HydrophobicContact CB-CG2 4.16Å; A604-T607 WeakPolarHBondContact O-CB 3.22Å; A604-T607 WeakPolarHBondContact O-CG2 3.18Å; A604-T607 PolarHBondContact O-N 2.88Å; A604-T607 PolarHBondContact O-OG1 3.2Å
605P97.1Very high95.6Very high5 Ų561 Ų613%0.03228%0.284CS..THydrogen-bonded Turntrans-56.3-21.9-164.8-36.141.8000119V442 R570 K611 I614V442-P605 HydrophobicContact CG1-CG 3.63Å; R570-P605 VanDerWaalsContact NE-CB 3.27Å; P605-K611 WeakPolarHBondContact O-CG 3.2Å; P605-I614 HydrophobicContact CB-CD1 3.76Å; P605-I614 HydrophobicContact CG-CD1 4.37Å
606W95.4Very high95Very high45 Ų4564.5 Ų64.517%0.1730%0.298CS..THydrogen-bonded Turntrans-87.6-17.2179.151.788.8000113.7G489 N490 F563 D572 Y575 A604 K611G489-W606 WeakPolarHBondContact O-CH2 3.47Å; G489-W606 WeakPolarHBondContact O-CZ2 3.23Å; N490-W606 WeakPolarHBondContact OD1-CZ2 3.16Å; F563-W606 HydrophobicContact CB-CD2 4.46Å; F563-W606 HydrophobicContact CB-CE3 4.23Å; F563-W606 HydrophobicContact CB-CZ3 4.47Å; F563-W606 HydrophobicContact CD1-CB 4.3Å; F563-W606 AromaticContact CD1-CD1 3.69Å; F563-W606 AromaticContact CD1-CD2 3.57Å; F563-W606 HydrophobicContact CD1-CD2 3.57Å; F563-W606 AromaticContact CD1-CE2 3.65Å; F563-W606 HydrophobicContact CD1-CE3 4.19Å; F563-W606 AromaticContact CD1-CG 3.61Å; F563-W606 HydrophobicContact CD1-CG 3.61Å; F563-W606 HydrophobicContact CD1-CZ2 4.29Å; F563-W606 AromaticContact CD1-NE1 3.71Å; F563-W606 AromaticContact CE1-CD1 3.72Å; F563-W606 HydrophobicContact CE1-CD2 4.29Å; F563-W606 HydrophobicContact CE1-CG 4.12Å; F563-W606 AromaticContact CE1-NE1 3.64Å; F563-W606 HydrophobicContact CG-CD2 4.44Å; D572-W606 HydrophobicContact CB-CZ3 4.27Å; Y575-W606 WeakPolarHBondContact OH-CH2 3.3Å; A604-W606 VanDerWaalsContact C-N 3.27Å; A604-W606 HydrophobicContact CB-CD2 4.27Å; A604-W606 HydrophobicContact CB-CH2 3.9Å; A604-W606 HydrophobicContact CB-CZ2 3.6Å; A604-W606 HydrophobicContact CB-CZ3 4.34Å; A604-W606 PolarHBondContact O-N 3.16Å; W606-K611 WeakPolarHBondContact O-CE 3.4Å; W606-K611 PolarHBondContact O-NZ 2.99Å
607T96.9Very high94.4Very high46 Ų4665.9 Ų65.928%0.28231%0.305SS..SBendtrans-67.9165.4177.266.20000111.3A604 G610 K611A604-T607 HydrophobicContact CB-CG2 4.16Å; A604-T607 WeakPolarHBondContact O-CB 3.22Å; A604-T607 WeakPolarHBondContact O-CG2 3.18Å; A604-T607 PolarHBondContact O-N 2.88Å; A604-T607 PolarHBondContact O-OG1 3.2Å; T607-G610 PolarHBondContact O-N 2.85Å; T607-G610 PolarHBondContact OG1-N 3.04Å; T607-K611 WeakPolarHBondContact O-CB 3.31Å; T607-K611 WeakPolarHBondContact O-CD 3.47Å; T607-K611 VanDerWaalsContact O-CG 3.3Å; T607-K611 WeakPolarHBondContact O-CG 3.37Å; T607-K611 PolarHBondContact O-N 3.41Å
608R95.8Very high93.9Very high158 Ų15864.6 Ų64.660%0.59631%0.308SS*.Hα-helixtrans-59.7-48.9174.4-175.7-179.665.275.34.3110.9K611 E612R608-K611 PolarHBondContact O-N 3.13Å; R608-E612 WeakPolarHBondContact CG-OE1 3.49Å; R608-E612 IonicContact CZ-OE1 2.67Å; R608-E612 IonicContact NH1-OE1 3.98Å; R608-E612 PolarHBondContact NH1-OE1 3.49Å; R608-E612 IonicContact NH1-OE2 2.63Å; R608-E612 PolarHBondContact NH1-OE2 3.35Å; R608-E612 WeakPolarHBondContact O-CB 3Å; R608-E612 WeakPolarHBondContact O-CG 3.39Å; R608-E612 PolarHBondContact O-N 3.38Å
609E95.1Very high93.5Very high114 Ų11464.2 Ų64.253%0.53331%0.309SS..Hα-helixtrans-64-40.4179.2-71.6153-148.900112.6P603 E612 R613P603-E609 HydrophobicContact CB-CB 3.82Å; P603-E609 HydrophobicContact CG-CB 4.25Å; E609-E612 PolarHBondContact O-N 2.79Å; E609-R613 VanDerWaalsContact O-CB 3.26Å; E609-R613 WeakPolarHBondContact O-CB 3.29Å; E609-R613 PolarHBondContact O-N 2.85Å
610G94.8Very high93.2Very high1 Ų166.8 Ų66.81%0.0133%0.326CS..Hα-helixtrans-62.5-44.2174.700000112.4T607 R613 I614T607-G610 PolarHBondContact O-N 2.85Å; T607-G610 PolarHBondContact OG1-N 3.04Å; G610-R613 PolarHBondContact O-N 3.12Å; G610-I614 WeakPolarHBondContact O-CB 3.17Å; G610-I614 WeakPolarHBondContact O-CD1 3.21Å; G610-I614 VanDerWaalsContact O-CG1 3.25Å; G610-I614 WeakPolarHBondContact O-CG1 3.37Å; G610-I614 PolarHBondContact O-N 2.63Å
611K93.6Very high93Very high127 Ų12767.1 Ų67.155%0.55233%0.327SS*.Hα-helixtrans-64.1-43.4175-73.7165.1175.6154.20112.3P605 W606 T607 R608 K615P605-K611 WeakPolarHBondContact O-CG 3.2Å; W606-K611 WeakPolarHBondContact O-CE 3.4Å; W606-K611 PolarHBondContact O-NZ 2.99Å; T607-K611 WeakPolarHBondContact O-CB 3.31Å; T607-K611 WeakPolarHBondContact O-CD 3.47Å; T607-K611 VanDerWaalsContact O-CG 3.3Å; T607-K611 WeakPolarHBondContact O-CG 3.37Å; T607-K611 PolarHBondContact O-N 3.41Å; R608-K611 PolarHBondContact O-N 3.13Å; K611-K615 WeakPolarHBondContact O-CB 3.48Å; K611-K615 PolarHBondContact O-N 2.78Å; K611-K615 VanDerWaalsContact O-N 3.12Å
612E92.7Very high92.7Very high99 Ų9962.5 Ų62.546%0.46330%0.3SS..Hα-helixtrans-61.7-45.8175-76169.1-163.700110.7R608 E609 K615 K616R608-E612 WeakPolarHBondContact CG-OE1 3.49Å; R608-E612 IonicContact CZ-OE1 2.67Å; R608-E612 IonicContact NH1-OE1 3.98Å; R608-E612 PolarHBondContact NH1-OE1 3.49Å; R608-E612 IonicContact NH1-OE2 2.63Å; R608-E612 PolarHBondContact NH1-OE2 3.35Å; R608-E612 WeakPolarHBondContact O-CB 3Å; R608-E612 WeakPolarHBondContact O-CG 3.39Å; R608-E612 PolarHBondContact O-N 3.38Å; E609-E612 PolarHBondContact O-N 2.79Å; E612-K615 PolarHBondContact O-N 2.84Å; E612-K616 WeakPolarHBondContact O-CB 3.32Å; E612-K616 PolarHBondContact O-N 3.2Å
613R91.6Very high92.3Very high60 Ų6062.9 Ų62.923%0.22630%0.299CS..Hα-helixtrans-62.1-45.9176.4-174.6174.7-176.4-101.26.1112.7V442 E602 P603 E609 G610 K615 K616 L617V442-R613 PolarHBondContact O-NH1 2.79Å; E602-R613 VanDerWaalsContact CD-CZ 3.46Å; E602-R613 VanDerWaalsContact CD-NH1 3.3Å; E602-R613 IonicContact OE1-CZ 3.39Å; E602-R613 IonicContact OE1-NH1 3.24Å; E602-R613 IonicContact OE1-NH2 2.68Å; E602-R613 PolarHBondContact OE1-NH2 3.39Å; E602-R613 IonicContact OE2-CZ 3.9Å; E602-R613 VanDerWaalsContact OE2-CZ 3.29Å; E602-R613 IonicContact OE2-NH1 3.43Å; E602-R613 PolarHBondContact OE2-NH1 2.68Å; E602-R613 IonicContact OE2-NH2 3.39Å; E602-R613 PolarHBondContact OE2-NH2 3.01Å; P603-R613 HydrophobicContact CG-CB 4.3Å; E609-R613 VanDerWaalsContact O-CB 3.26Å; E609-R613 WeakPolarHBondContact O-CB 3.29Å; E609-R613 PolarHBondContact O-N 2.85Å; G610-R613 PolarHBondContact O-N 3.12Å; R613-K615 VanDerWaalsContact C-N 3.33Å; R613-K615 PolarHBondContact O-N 3.2Å; R613-K616 PolarHBondContact O-N 3.3Å; R613-K616 VanDerWaalsContact O-N 3.17Å; R613-L617 HydrophobicContact CG-CD1 3.84Å; R613-L617 HydrophobicContact CG-CG 4.14Å; R613-L617 WeakPolarHBondContact O-CB 3.31Å; R613-L617 WeakPolarHBondContact O-CG 3.41Å; R613-L617 PolarHBondContact O-N 2.79Å
614I92Very high91.5Very high30 Ų3062.5 Ų62.515%0.15430%0.296CS..Hα-helixtrans-56.1-47.9176.5-78164.8000111.1P605 G610 G618 L619P605-I614 HydrophobicContact CB-CD1 3.76Å; P605-I614 HydrophobicContact CG-CD1 4.37Å; G610-I614 WeakPolarHBondContact O-CB 3.17Å; G610-I614 WeakPolarHBondContact O-CD1 3.21Å; G610-I614 VanDerWaalsContact O-CG1 3.25Å; G610-I614 WeakPolarHBondContact O-CG1 3.37Å; G610-I614 PolarHBondContact O-N 2.63Å; I614-G618 PolarHBondContact O-N 2.84Å; I614-L619 HydrophobicContact CG1-CD1 4.36Å; I614-L619 HydrophobicContact CG2-CB 4.31Å; I614-L619 PolarHBondContact O-N 2.78Å; I614-L619 VanDerWaalsContact O-N 3.09Å
615K90.2Very high90.3Very high139 Ų13967.2 Ų67.260%0.60434%0.335SS*.Hα-helixtrans-64.1-40.9176.7-177.8-179.8178-177.50112.2K611 E612 R613 G618 I669K611-K615 WeakPolarHBondContact O-CB 3.48Å; K611-K615 PolarHBondContact O-N 2.78Å; K611-K615 VanDerWaalsContact O-N 3.12Å; E612-K615 PolarHBondContact O-N 2.84Å; R613-K615 VanDerWaalsContact C-N 3.33Å; R613-K615 PolarHBondContact O-N 3.2Å; K615-G618 PolarHBondContact O-N 2.67Å; K615-I669 HydrophobicContact CG-CG2 4.43Å
616K87.1Confident88.7Confident98 Ų9869.3 Ų69.343%0.42636%0.358SS..Hα-helixtrans-68.8-38.1-178.6-168.5177.4-164.2-127.90112.5E612 R613 G618 E672E612-K616 WeakPolarHBondContact O-CB 3.32Å; E612-K616 PolarHBondContact O-N 3.2Å; R613-K616 PolarHBondContact O-N 3.3Å; R613-K616 VanDerWaalsContact O-N 3.17Å; K616-G618 VanDerWaalsContact C-N 3.3Å; K616-E672 WeakPolarHBondContact CD-OE2 3.32Å; K616-E672 VanDerWaalsContact CE-OE1 3.32Å; K616-E672 WeakPolarHBondContact CE-OE1 3.5Å; K616-E672 WeakPolarHBondContact CE-OE2 3.14Å; K616-E672 HydrophobicContact CG-CB 3.71Å; K616-E672 IonicContact NZ-OE1 3.77Å; K616-E672 PolarHBondContact NZ-OE1 2.82Å; K616-E672 IonicContact NZ-OE2 2.71Å; K616-E672 PolarHBondContact NZ-OE2 3.23Å; K616-E672 PolarHBondContact O-N 2.96Å
617L85.8Confident87.4Confident29 Ų2970.1 Ų70.115%0.15236%0.361CS..THydrogen-bonded Turntrans-81.3-3.1174.1-65.8-176.4000113.7P441 R613 L619 P705P441-L617 HydrophobicContact CB-CD1 4.19Å; P441-L617 HydrophobicContact CG-CD1 4.31Å; R613-L617 HydrophobicContact CG-CD1 3.84Å; R613-L617 HydrophobicContact CG-CG 4.14Å; R613-L617 WeakPolarHBondContact O-CB 3.31Å; R613-L617 WeakPolarHBondContact O-CG 3.41Å; R613-L617 PolarHBondContact O-N 2.79Å; L617-L619 VanDerWaalsContact C-N 3.29Å; L617-L619 HydrophobicContact CB-CD1 4.3Å; L617-L619 HydrophobicContact CB-CD2 4.3Å; L617-L619 HydrophobicContact CB-CG 3.88Å; L617-L619 HydrophobicContact CD1-CD1 4.35Å; L617-L619 PolarHBondContact O-N 3.03Å; L617-P705 HydrophobicContact CB-CG 3.93Å; L617-P705 HydrophobicContact CD1-CG 4.25Å; L617-P705 HydrophobicContact CD2-CG 3.97Å; L617-P705 HydrophobicContact CG-CG 4.26Å; L617-P705 WeakPolarHBondContact O-CD 3.5Å
618G87.6Confident85.7Confident29 Ų2973.2 Ų73.230%0.29937%0.373SS..THydrogen-bonded Turntrans66.325.9178.600000114.5I614 K615 K616 V620I614-G618 PolarHBondContact O-N 2.84Å; K615-G618 PolarHBondContact O-N 2.67Å; K616-G618 VanDerWaalsContact C-N 3.3Å; G618-V620 PolarHBondContact O-N 2.91Å
619L90.5Very high83.6Confident31 Ų3172.7 Ų72.716%0.16237%0.374CS..  trans-72.4123.9-176.6-56.5179.2000110.3P441 I614 L617 P705P441-L619 HydrophobicContact CG-CD1 3.95Å; P441-L619 HydrophobicContact CG-CD2 3.99Å; I614-L619 HydrophobicContact CG1-CD1 4.36Å; I614-L619 HydrophobicContact CG2-CB 4.31Å; I614-L619 PolarHBondContact O-N 2.78Å; I614-L619 VanDerWaalsContact O-N 3.09Å; L617-L619 VanDerWaalsContact C-N 3.29Å; L617-L619 HydrophobicContact CB-CD1 4.3Å; L617-L619 HydrophobicContact CB-CD2 4.3Å; L617-L619 HydrophobicContact CB-CG 3.88Å; L617-L619 HydrophobicContact CD1-CD1 4.35Å; L617-L619 PolarHBondContact O-N 3.03Å; L619-P705 HydrophobicContact CD2-CG 4.26Å
620V91.4Very high81.7Confident88 Ų8872 Ų7253%0.53337%0.372SS..  trans-131.2161.3-178-63.60000110.8G618 Q622G618-V620 PolarHBondContact O-N 2.91Å; V620-Q622 PolarHBondContact O-N 3Å; V620-Q622 PolarHBondContact O-NE2 2.8Å
621M92.4Very high79.8Confident35 Ų3577.7 Ų77.717%0.17240%0.396CS..EExtended strand (participates in β ladder)trans-58.9116.4177.2-173.860.567.400111.3L445 K447 E567 Y623L445-M621 HydrophobicContact CB-CE 4.14Å; L445-M621 HydrophobicContact CB-SD 4.13Å; L445-M621 HydrophobicContact CD2-CE 3.91Å; K447-M621 HydrophobicContact CB-CG 4.44Å; K447-M621 HydrophobicContact CB-SD 4.24Å; K447-M621 PolarHBondContact N-SD 2.93Å; E567-M621 HydrophobicContact CB-CE 4.07Å; E567-M621 HydrophobicContact CG-CE 4.08Å; E567-M621 VanDerWaalsContact O-CE 3.23Å; E567-M621 WeakPolarHBondContact O-CE 3.31Å; M621-Y623 HydrophobicContact CB-CE2 3.85Å; M621-Y623 HydrophobicContact CG-CD2 4.26Å; M621-Y623 HydrophobicContact CG-CE1 4.26Å; M621-Y623 HydrophobicContact CG-CE2 3.61Å; M621-Y623 VanDerWaalsContact O-CD2 3.31Å; M621-Y623 WeakPolarHBondContact O-CD2 3.18Å; M621-Y623 WeakPolarHBondContact O-CE2 3.24Å
622Q89.2Confident77.5Confident77 Ų7777 Ų7736%0.3640%0.395SS..EExtended strand (participates in β ladder)trans-81.1132.3173.6-57.6-50-64.800110.5L445 W446 K447 Q451 V620L445-Q622 WeakPolarHBondContact O-CB 3.43Å; L445-Q622 WeakPolarHBondContact O-CG 3.47Å; L445-Q622 PolarHBondContact O-N 2.86Å; W446-Q622 HydrophobicContact CG-CB 4.41Å; K447-Q622 PolarHBondContact N-O 2.76Å; Q451-Q622 VanDerWaalsContact NE2-C 3.27Å; Q451-Q622 PolarHBondContact NE2-O 3.11Å; Q451-Q622 PolarHBondContact OE1-O 3.42Å; V620-Q622 PolarHBondContact O-N 3Å; V620-Q622 PolarHBondContact O-NE2 2.8Å
623Y85.5Confident75.3Confident68 Ų6876.9 Ų76.927%0.26740%0.397SS..  trans-114.6156176.6-67.7-86.8000110.7K447 Q451 E567 M621 Y627 Q628K447-Y623 HydrophobicContact CB-CD1 3.74Å; K447-Y623 HydrophobicContact CB-CE1 3.96Å; K447-Y623 HydrophobicContact CB-CG 4.48Å; K447-Y623 HydrophobicContact CD-CD1 4.37Å; K447-Y623 HydrophobicContact CD-CE1 3.84Å; K447-Y623 HydrophobicContact CG-CD1 3.8Å; K447-Y623 HydrophobicContact CG-CE1 3.8Å; Q451-Y623 PolarHBondContact NE2-O 3.26Å; E567-Y623 PolarHBondContact OE2-OH 2.71Å; M621-Y623 HydrophobicContact CB-CE2 3.85Å; M621-Y623 HydrophobicContact CG-CD2 4.26Å; M621-Y623 HydrophobicContact CG-CE1 4.26Å; M621-Y623 HydrophobicContact CG-CE2 3.61Å; M621-Y623 VanDerWaalsContact O-CD2 3.31Å; M621-Y623 WeakPolarHBondContact O-CD2 3.18Å; M621-Y623 WeakPolarHBondContact O-CE2 3.24Å; Y623-Y627 AromaticContact CD1-CD1 3.45Å; Y623-Y627 HydrophobicContact CD1-CD1 3.45Å; Y623-Y627 VanDerWaalsContact CD1-CD1 3.45Å; Y623-Y627 AromaticContact CD1-CE1 3.66Å; Y623-Y627 HydrophobicContact CD1-CE1 3.66Å; Y623-Y627 HydrophobicContact CE1-CD1 4.18Å; Y623-Y627 AromaticContact CE1-CE1 3.98Å; Y623-Y627 HydrophobicContact CE1-CE1 3.98Å; Y623-Y627 HydrophobicContact CG-CD1 4.2Å; Y623-Q628 HydrophobicContact CD2-CG 4.4Å; Y623-Q628 HydrophobicContact CG-CG 4.37Å
624P80.5Confident73.2Confident29 Ų2979.9 Ų79.919%0.18841%0.412CS..  trans-59.9149.3170.4-20.632.7000111.2M417 F448 G626 Y627M417-P624 HydrophobicContact CE-CB 4.42Å; M417-P624 HydrophobicContact CE-CG 3.88Å; M417-P624 HydrophobicContact SD-CG 4.15Å; F448-P624 HydrophobicContact CD2-CG 3.56Å; F448-P624 HydrophobicContact CE2-CG 3.86Å; P624-G626 PolarHBondContact O-N 2.86Å; P624-Y627 VanDerWaalsContact O-CB 3.24Å; P624-Y627 WeakPolarHBondContact O-CB 3.29Å; P624-Y627 PolarHBondContact O-N 2.89Å; P624-Y627 VanDerWaalsContact O-N 3.12Å
625A70.7Confident71Confident104 Ų10482.6 Ų82.686%0.8643%0.426SS*.THydrogen-bonded Turntrans-58129.3178.400000110.9Y627A625-Y627 VanDerWaalsContact C-N 3.32Å; A625-Y627 PolarHBondContact O-N 3.39Å
626G64.8Low68.7Low49 Ų4981.6 Ų81.651%0.50542%0.424SS..THydrogen-bonded Turntrans86.4-20.6-177.300000115.9P624 Q628 K629 E630P624-G626 PolarHBondContact O-N 2.86Å; G626-Q628 VanDerWaalsContact C-N 3.27Å; G626-Q628 PolarHBondContact O-N 2.82Å; G626-Q628 VanDerWaalsContact O-N 3.12Å; G626-K629 PolarHBondContact O-N 2.88Å; G626-E630 PolarHBondContact O-N 3.4Å
627Y68.3Low66.7Low62 Ų6280.9 Ų80.924%0.24343%0.428CS..Hα-helixtrans-58.7-30.9-171.7-178.6-97.4000114.9F448 Y623 P624 A625 K631F448-Y627 HydrophobicContact CE2-CD2 4.12Å; F448-Y627 HydrophobicContact CE2-CE1 4.26Å; F448-Y627 AromaticContact CE2-CE2 3.8Å; F448-Y627 HydrophobicContact CE2-CE2 3.8Å; F448-Y627 HydrophobicContact CE2-CG 4.49Å; F448-Y627 AromaticContact CE2-CZ 3.88Å; F448-Y627 HydrophobicContact CZ-CD2 4.45Å; F448-Y627 HydrophobicContact CZ-CE1 4.46Å; F448-Y627 AromaticContact CZ-CE2 3.71Å; F448-Y627 HydrophobicContact CZ-CE2 3.71Å; F448-Y627 AromaticContact CZ-CZ 3.72Å; Y623-Y627 AromaticContact CD1-CD1 3.45Å; Y623-Y627 HydrophobicContact CD1-CD1 3.45Å; Y623-Y627 VanDerWaalsContact CD1-CD1 3.45Å; Y623-Y627 AromaticContact CD1-CE1 3.66Å; Y623-Y627 HydrophobicContact CD1-CE1 3.66Å; Y623-Y627 HydrophobicContact CE1-CD1 4.18Å; Y623-Y627 AromaticContact CE1-CE1 3.98Å; Y623-Y627 HydrophobicContact CE1-CE1 3.98Å; Y623-Y627 HydrophobicContact CG-CD1 4.2Å; P624-Y627 VanDerWaalsContact O-CB 3.24Å; P624-Y627 WeakPolarHBondContact O-CB 3.29Å; P624-Y627 PolarHBondContact O-N 2.89Å; P624-Y627 VanDerWaalsContact O-N 3.12Å; A625-Y627 VanDerWaalsContact C-N 3.32Å; A625-Y627 PolarHBondContact O-N 3.39Å; Y627-K631 PolarHBondContact O-N 2.93Å
628Q59.4Low64.7Low111 Ų11186.4 Ų86.452%0.51945%0.453SS..Hα-helixtrans-69-43.6177.2-72.4176-28.700111.6Y623 G626 E630 K631 E632Y623-Q628 HydrophobicContact CD2-CG 4.4Å; Y623-Q628 HydrophobicContact CG-CG 4.37Å; G626-Q628 VanDerWaalsContact C-N 3.27Å; G626-Q628 PolarHBondContact O-N 2.82Å; G626-Q628 VanDerWaalsContact O-N 3.12Å; Q628-E630 PolarHBondContact O-N 3.37Å; Q628-K631 WeakPolarHBondContact O-CA 3.29Å; Q628-K631 WeakPolarHBondContact O-CB 3.44Å; Q628-K631 PolarHBondContact O-N 3.49Å; Q628-E632 WeakPolarHBondContact O-CG 3.32Å; Q628-E632 PolarHBondContact O-N 2.88Å
629K53.5Low62.5Low146 Ų14692.7 Ų92.764%0.63547%0.474SS*.Hα-helixtrans-64.3-42177-62-168.1173.9-1640111.9G626 K631 E632 N633G626-K629 PolarHBondContact O-N 2.88Å; K629-K631 PolarHBondContact O-N 2.85Å; K629-E632 WeakPolarHBondContact CA-OE2 3.15Å; K629-E632 PolarHBondContact O-N 2.77Å; K629-N633 WeakPolarHBondContact O-CB 3.5Å; K629-N633 PolarHBondContact O-N 2.72Å; K629-N633 PolarHBondContact O-OD1 2.95Å
630E53.7Low60.2Low101 Ų10199.5 Ų99.547%0.47251%0.505SS..Hα-helixtrans-62.6-21.9173.7-69.4-166.5135.200113.6G626 Q628 K634G626-E630 PolarHBondContact O-N 3.4Å; Q628-E630 PolarHBondContact O-N 3.37Å; E630-K634 WeakPolarHBondContact O-CB 3.44Å; E630-K634 VanDerWaalsContact O-CG 3.22Å; E630-K634 WeakPolarHBondContact O-CG 3.34Å; E630-K634 PolarHBondContact O-N 3.24Å
631K54.6Low57.5Low120 Ų120102.8 Ų102.852%0.52252%0.515SS..Hα-helixtrans-86.3-39.4174.3-163.6-173.1177.9-160.80111.9Y627 Q628 K629 K634 N635Y627-K631 PolarHBondContact O-N 2.93Å; Q628-K631 WeakPolarHBondContact O-CA 3.29Å; Q628-K631 WeakPolarHBondContact O-CB 3.44Å; Q628-K631 PolarHBondContact O-N 3.49Å; K629-K631 PolarHBondContact O-N 2.85Å; K631-K634 PolarHBondContact O-N 3.24Å; K631-N635 PolarHBondContact O-N 2.96Å; K631-N635 PolarHBondContact O-OD1 2.7Å
632E47Very low54.4Low112 Ų112106.4 Ų106.452%0.52354%0.539SS..Hα-helixtrans-59.4-54.4173.1-70.5158.3166.900110Q628 K629 K634 N635 E636Q628-E632 WeakPolarHBondContact O-CG 3.32Å; Q628-E632 PolarHBondContact O-N 2.88Å; K629-E632 WeakPolarHBondContact CA-OE2 3.15Å; K629-E632 PolarHBondContact O-N 2.77Å; E632-K634 PolarHBondContact O-N 3.37Å; E632-N635 PolarHBondContact O-N 2.88Å; E632-N635 VanDerWaalsContact O-N 3.12Å; E632-E636 WeakPolarHBondContact O-CG 3.42Å; E632-E636 PolarHBondContact O-N 3.19Å
633N46.7Very low51.7Low97 Ų97108.8 Ų108.852%0.51956%0.561SS.*Hα-helixtrans-58.3-29.2174.4-76.686.8000114.1K629 V637K629-N633 WeakPolarHBondContact O-CB 3.5Å; K629-N633 PolarHBondContact O-N 2.72Å; K629-N633 PolarHBondContact O-OD1 2.95Å; N633-V637 VanDerWaalsContact O-CG2 3.27Å; N633-V637 WeakPolarHBondContact O-CG2 3.25Å; N633-V637 PolarHBondContact O-N 3.08Å
634K46.4Very low49.1Very low123 Ų123111 Ų11154%0.53559%0.587SS.*Hα-helixtrans-76.4-41.1175.2-86.6-178.5176.4-170.40112.5E630 K631 E632 E636 V637 E638E630-K634 WeakPolarHBondContact O-CB 3.44Å; E630-K634 VanDerWaalsContact O-CG 3.22Å; E630-K634 WeakPolarHBondContact O-CG 3.34Å; E630-K634 PolarHBondContact O-N 3.24Å; K631-K634 PolarHBondContact O-N 3.24Å; E632-K634 PolarHBondContact O-N 3.37Å; K634-E636 VanDerWaalsContact C-N 3.32Å; K634-V637 PolarHBondContact O-N 3.33Å; K634-E638 WeakPolarHBondContact O-CB 3.43Å; K634-E638 WeakPolarHBondContact O-CG 3.3Å; K634-E638 PolarHBondContact O-N 2.78Å
635N45.1Very low46.6Very low86 Ų86119.8 Ų119.846%0.4662%0.622SS.*Hα-helixtrans-61.8-41.5174-8242.6000111.1K631 E632 E638 E639K631-N635 PolarHBondContact O-N 2.96Å; K631-N635 PolarHBondContact O-OD1 2.7Å; E632-N635 PolarHBondContact O-N 2.88Å; E632-N635 VanDerWaalsContact O-N 3.12Å; N635-E638 PolarHBondContact O-N 2.83Å; N635-E639 PolarHBondContact O-N 3.4Å
636E41.7Very low44.6Very low118 Ų118119.5 Ų119.555%0.55162%0.619SS**Hα-helixtrans-61.8-45.2175.9-70.2171161.400111.8E632 K634 E639 E640E632-E636 WeakPolarHBondContact O-CG 3.42Å; E632-E636 PolarHBondContact O-N 3.19Å; K634-E636 VanDerWaalsContact C-N 3.32Å; E636-E639 PolarHBondContact O-N 2.77Å; E636-E640 PolarHBondContact O-N 2.79Å; E636-E640 VanDerWaalsContact O-N 3.12Å
637V45.3Very low42.9Very low83 Ų83127.3 Ų127.350%0.50364%0.639SS.*Hα-helixtrans-66.5-36.4176170.10000112.5N633 K634 E639 E640 E641N633-V637 VanDerWaalsContact O-CG2 3.27Å; N633-V637 WeakPolarHBondContact O-CG2 3.25Å; N633-V637 PolarHBondContact O-N 3.08Å; K634-V637 PolarHBondContact O-N 3.33Å; V637-E639 VanDerWaalsContact C-N 3.3Å; V637-E639 PolarHBondContact O-N 2.98Å; V637-E640 PolarHBondContact O-N 3.31Å; V637-E641 PolarHBondContact O-N 2.98Å
638E44.3Very low40.9Very low146 Ų146136 Ų13668%0.68267%0.672SS**Hα-helixtrans-70.3-22174.5-75.6177.8-162.700113.1K634 N635K634-E638 WeakPolarHBondContact O-CB 3.43Å; K634-E638 WeakPolarHBondContact O-CG 3.3Å; K634-E638 PolarHBondContact O-N 2.78Å; N635-E638 PolarHBondContact O-N 2.83Å
639E42.3Very low39.2Very low161 Ų161140.8 Ų140.875%0.75269%0.691SS**Hα-helixtrans-83.4-30.9172.2-74.4-170.4160.200113.1N635 E636 V637N635-E639 PolarHBondContact O-N 3.4Å; E636-E639 PolarHBondContact O-N 2.77Å; V637-E639 VanDerWaalsContact C-N 3.3Å; V637-E639 PolarHBondContact O-N 2.98Å
640E41.5Very low37.9Very low173 Ų173145.4 Ų145.481%0.80870%0.704SS**Hα-helixtrans-76.7-32.5176.7-69.7-162.4144.900114.1E636 V637 T642E636-E640 PolarHBondContact O-N 2.79Å; E636-E640 VanDerWaalsContact O-N 3.12Å; V637-E640 PolarHBondContact O-N 3.31Å; E640-T642 VanDerWaalsContact C-N 3.29Å; E640-T642 PolarHBondContact O-N 2.88Å
641E33.9Very low36.4Very low158 Ų158149.8 Ų149.874%0.73872%0.722SS**  trans-81.447.3-176-69.9-152.8152.300115.6V637V637-E641 PolarHBondContact O-N 2.98Å
642T28.1Very low35Very low111 Ų111148.9 Ų148.968%0.68173%0.73SS**  trans-127.277.4171.656.20000116.2E640 S644E640-T642 VanDerWaalsContact C-N 3.29Å; E640-T642 PolarHBondContact O-N 2.88Å; T642-S644 PolarHBondContact O-N 3.35Å
643P32.4Very low34.7Very low127 Ų127148.6 Ų148.683%0.82574%0.738SS**  trans-66.5119.4172.6-1932.7000112.7
644S31.5Very low33.6Very low115 Ų115151.2 Ų151.280%0.80475%0.748SS**  trans-63.5143-174.475.30000114.7T642T642-S644 PolarHBondContact O-N 3.35Å
645K28.2Very low32.6Very low213 Ų213150.7 Ų150.793%0.92676%0.759SS**  trans-130.3114156.4-88.5-174.6177.3172.50110.7
646A28.4Very low31.5Very low97 Ų97155 Ų15580%0.80278%0.777SS**  trans-79.1143.6-172.700000113.8
647K28Very low30.8Very low213 Ų213154.6 Ų154.693%0.92679%0.787SS**  trans-127122.6150.8-95.4-176.6175.11760109.5
648R26.8Very low30.1Very low245 Ų245155.8 Ų155.893%0.92580%0.796SS**  trans-76.6135.4-178.7-68171.2167.8169.9-5.9111.4
649K25Very low29.1Very low212 Ų212158.5 Ų158.592%0.92281%0.806SS**  trans-147.5164.5136.3-117.2176.2-178.5-177.70110.3
650R25Very low28.2Very low242 Ų242157.2 Ų157.291%0.91381%0.809SS**  trans-89.4153.3-154.1-68.7173.8162.2153-8.7114.5
651K23Very low27.5Very low194 Ų194154.1 Ų154.184%0.84381%0.807SS**  trans-37.3159.3142.7-85.8-173.1177.5-171.30112.3
652S25.2Very low27.3Very low100 Ų100152.1 Ų152.170%0.69981%0.808SS**  cis-174.1-178.27.637.10000107.6
653P39.8Very low27.6Very low106 Ų106151.6 Ų151.669%0.68881%0.814SS**  cis-117.6-132.3-2.224.52.2000110.6
654E23.1Very low27.5Very low153 Ų153154.9 Ų154.972%0.71582%0.816SS**  cis-161.8174.53-160.242-7800113.3
655S25.2Very low27.4Very low112 Ų112155.5 Ų155.578%0.78382%0.815SS**  trans90.1135.7167.373.60000117.8
656E23.9Very low27.6Very low176 Ų176153.2 Ų153.282%0.82281%0.813SS**  trans-109.4127.3-154.3-61.9-177.2109.400115.5
657S25.2Very low27.9Very low109 Ų109158 Ų15876%0.76282%0.815SS**  trans68.5171.6137.184.60000119.8
658P30.4Very low28.5Very low109 Ų109157.6 Ų157.671%0.70881%0.814SS**  cis-117.7148.4-39.432.1-20.4000111.7
659K23.7Very low29.7Very low203 Ų203151.3 Ų151.388%0.88380%0.797SS**  trans-111.687.1168.9-78.3-173.2178.2176.50111.8S661K659-S661 PolarHBondContact O-N 3.13Å
660T23.9Very low31.3Very low134 Ų134150.3 Ų150.382%0.82279%0.793SS**  trans-66.2123.6159.933.50000109.4
661S26.2Very low33.8Very low108 Ų108140.8 Ų140.876%0.75576%0.761SS**  trans-105.9110.9-179.1-64.40000110.2K659 A663K659-S661 PolarHBondContact O-N 3.13Å; S661-A663 PolarHBondContact O-N 3.44Å
662P30.7Very low36.4Very low116 Ų116134 Ų13475%0.75373%0.733SS**  trans-73.6118176.8-13.428.7000110.4K664P662-K664 PolarHBondContact O-N 3.4Å; P662-K664 VanDerWaalsContact O-N 3.07Å
663A34.1Very low39.2Very low100 Ų100132.9 Ų132.983%0.82672%0.722SS**  trans-63.2109.1174.100000110.5S661 T665S661-A663 PolarHBondContact O-N 3.44Å; A663-T665 PolarHBondContact O-N 3.32Å
664K29.5Very low41.4Very low196 Ų196130.5 Ų130.585%0.85270%0.699SS**  trans-82.699.9174.9-77.7-177.2177.5174.20110.1P662 N666P662-K664 PolarHBondContact O-N 3.4Å; P662-K664 VanDerWaalsContact O-N 3.07Å; K664-N666 PolarHBondContact O-N 3.36Å
665T30.7Very low44.3Very low128 Ų128130 Ų13079%0.78570%0.695SS**  trans-60.4129.216845.30000110.4A663 K667A663-T665 PolarHBondContact O-N 3.32Å; T665-K667 PolarHBondContact O-N 2.86Å
666N32.6Very low47.2Very low164 Ų164125.1 Ų125.188%0.87766%0.66SS**  trans-68.3100.4179.1-88.4-31000110.5K664 K668K664-N666 PolarHBondContact O-N 3.36Å; N666-K668 PolarHBondContact O-N 3.41Å; N666-K668 VanDerWaalsContact O-N 3.08Å
667K33.1Very low50.3Low197 Ų197119.1 Ų119.186%0.85764%0.637SS**  trans-58.8112.8166.8-74-172.5175.9-176.60108.7T665 I669T665-K667 PolarHBondContact O-N 2.86Å; K667-I669 PolarHBondContact O-N 3.31Å; K667-I669 VanDerWaalsContact O-N 3.13Å
668K40.8Very low53.3Low206 Ų206122.4 Ų122.490%0.89664%0.64SS**  trans-51.4119.4175.2-69.6-177.2178.1-179.80109.2N666 K670N666-K668 PolarHBondContact O-N 3.41Å; N666-K668 VanDerWaalsContact O-N 3.08Å; K668-K670 PolarHBondContact O-N 2.91Å
669I52.9Low56.1Low113 Ų113122.6 Ų122.658%0.57963%0.632SS**  trans-68.7120.1178-62.8176.8000107.6K615 K667 V671K615-I669 HydrophobicContact CG-CG2 4.43Å; K667-I669 PolarHBondContact O-N 3.31Å; K667-I669 VanDerWaalsContact O-N 3.13Å; I669-V671 PolarHBondContact O-N 2.76Å
670K59.5Low59.4Low190 Ų190114 Ų11483%0.82660%0.595SS**  trans-73.5108.7178.3-171.2175-177.61780109.1K668K668-K670 PolarHBondContact O-N 2.91Å
671V75.9Confident62.6Low42 Ų42113.1 Ų113.126%0.25558%0.579SS.*PPolyproline II helixtrans-63.5144.8173.2-176.90000109.2I669I669-V671 PolarHBondContact O-N 2.76Å
672E78.6Confident65.7Low53 Ų53110.5 Ų110.525%0.24856%0.562CS.*PPolyproline II helixtrans-72.6129.7171.7-177.7173.2-132.300110.4K616 K675 G704K616-E672 WeakPolarHBondContact CD-OE2 3.32Å; K616-E672 VanDerWaalsContact CE-OE1 3.32Å; K616-E672 WeakPolarHBondContact CE-OE1 3.5Å; K616-E672 WeakPolarHBondContact CE-OE2 3.14Å; K616-E672 HydrophobicContact CG-CB 3.71Å; K616-E672 IonicContact NZ-OE1 3.77Å; K616-E672 PolarHBondContact NZ-OE1 2.82Å; K616-E672 IonicContact NZ-OE2 2.71Å; K616-E672 PolarHBondContact NZ-OE2 3.23Å; K616-E672 PolarHBondContact O-N 2.96Å; E672-K675 VanDerWaalsContact OE1-CE 3.22Å; E672-K675 WeakPolarHBondContact OE1-CE 3.48Å; E672-K675 IonicContact OE1-NZ 2.74Å; E672-K675 PolarHBondContact OE1-NZ 3.14Å; E672-K675 IonicContact OE2-NZ 3.24Å; E672-G704 WeakPolarHBondContact O-CA 3.38Å
673V83.5Confident68.7Low76 Ų76105.9 Ų105.946%0.46153%0.53SS..PPolyproline II helixtrans-57.1134.8175.6-173.70000109.9L701V673-L701 CarbonylContact C-O 3.43Å; V673-L701 WeakPolarHBondContact CA-O 3.18Å; V673-L701 HydrophobicContact CG1-CB 3.86Å; V673-L701 WeakPolarHBondContact CG1-O 3.49Å
674Y85.2Confident71.5Confident55 Ų55102 Ų10222%0.21650%0.496CS..PPolyproline II helixtrans-57.9138.4176.3-172.6-85.6000110.9L676 L701 F707 L708Y674-L676 HydrophobicContact CD1-CD2 4.35Å; Y674-L676 HydrophobicContact CD1-CG 4.18Å; Y674-L676 HydrophobicContact CE1-CD2 3.92Å; Y674-L676 HydrophobicContact CE1-CG 4.19Å; Y674-L701 HydrophobicContact CD1-CD2 3.97Å; Y674-L701 HydrophobicContact CG-CD2 4.4Å; Y674-L701 PolarHBondContact N-O 3.4Å; Y674-F707 AromaticContact CD1-CD1 3.42Å; Y674-F707 HydrophobicContact CD1-CD1 3.42Å; Y674-F707 VanDerWaalsContact CD1-CD1 3.42Å; Y674-F707 AromaticContact CD1-CE1 3.82Å; Y674-F707 HydrophobicContact CD1-CE1 3.82Å; Y674-F707 HydrophobicContact CD1-CG 4.16Å; Y674-F707 HydrophobicContact CD2-CB 4.23Å; Y674-F707 HydrophobicContact CD2-CD1 4.1Å; Y674-F707 AromaticContact CE1-CD1 3.66Å; Y674-F707 HydrophobicContact CE1-CD1 3.66Å; Y674-F707 AromaticContact CE1-CE1 3.83Å; Y674-F707 HydrophobicContact CE1-CE1 3.83Å; Y674-F707 HydrophobicContact CE2-CD1 4.3Å; Y674-F707 HydrophobicContact CG-CB 4Å; Y674-F707 AromaticContact CG-CD1 3.67Å; Y674-F707 HydrophobicContact CG-CD1 3.67Å; Y674-F707 HydrophobicContact CG-CG 4.08Å; Y674-L708 HydrophobicContact CE2-CD1 3.95Å; Y674-L708 HydrophobicContact CE2-CD2 4.48Å; Y674-L708 HydrophobicContact CE2-CG 3.93Å
675K84.8Confident74.5Confident144 Ų144100.1 Ų100.163%0.62649%0.487SS*.  trans-110.496-173.1-67.4-177.9-172.4169.20111.3E672E672-K675 VanDerWaalsContact OE1-CE 3.22Å; E672-K675 WeakPolarHBondContact OE1-CE 3.48Å; E672-K675 IonicContact OE1-NZ 2.74Å; E672-K675 PolarHBondContact OE1-NZ 3.14Å; E672-K675 IonicContact OE2-NZ 3.24Å
676L87.1Confident77.6Confident9 Ų998.3 Ų98.35%0.04747%0.473CS..  trans-67.5138.3166.5-66.4163.2000110.9Y674 Q680 K681 I684 M698 L701 F707 L778Y674-L676 HydrophobicContact CD1-CD2 4.35Å; Y674-L676 HydrophobicContact CD1-CG 4.18Å; Y674-L676 HydrophobicContact CE1-CD2 3.92Å; Y674-L676 HydrophobicContact CE1-CG 4.19Å; L676-Q680 HydrophobicContact CB-CB 4.25Å; L676-Q680 HydrophobicContact CD2-CB 3.95Å; L676-K681 HydrophobicContact CB-CD 4.47Å; L676-K681 HydrophobicContact CB-CG 3.91Å; L676-K681 HydrophobicContact CD1-CG 4.47Å; L676-K681 VanDerWaalsContact O-CE 3.3Å; L676-K681 WeakPolarHBondContact O-CE 3.48Å; L676-K681 PolarHBondContact O-NZ 2.74Å; L676-I684 HydrophobicContact CD1-CD1 3.74Å; L676-I684 HydrophobicContact CD2-CD1 4.02Å; L676-M698 HydrophobicContact CD1-CE 3.86Å; L676-M698 HydrophobicContact CD1-SD 3.44Å; L676-M698 WeakPolarHBondContact CD1-SD 3.48Å; L676-L701 HydrophobicContact CD1-CD1 4.44Å; L676-L701 HydrophobicContact CD1-CD2 3.89Å; L676-L701 HydrophobicContact CG-CD2 4.15Å; L676-F707 HydrophobicContact CD1-CZ 4.34Å; L676-F707 HydrophobicContact CD2-CE1 3.96Å; L676-F707 HydrophobicContact CD2-CZ 4.24Å; L676-F707 HydrophobicContact CG-CE1 4.5Å; L676-L778 HydrophobicContact CD2-CD2 3.88Å
677S88.8Confident80.5Confident49 Ų4990.6 Ų90.634%0.34343%0.432SS..  trans-64170.3171.179.40000111.5E679 Q680 K681S677-E679 VanDerWaalsContact C-N 3.31Å; S677-E679 PolarHBondContact OG-N 2.84Å; S677-Q680 WeakPolarHBondContact OG-CB 3.46Å; S677-Q680 WeakPolarHBondContact OG-CG 2.95Å; S677-Q680 PolarHBondContact OG-N 3.07Å; S677-K681 WeakPolarHBondContact O-CD 3.38Å; S677-K681 VanDerWaalsContact O-CG 3.28Å; S677-K681 WeakPolarHBondContact O-CG 3.27Å; S677-K681 PolarHBondContact O-N 3.44Å
678Q87.9Confident83.4Confident178 Ų17887.5 Ų87.583%0.83242%0.42SS*.Hα-helixtrans-63.9-40.2172.9-74.4178.8-30.700111.3K681 S682Q678-K681 PolarHBondContact O-N 2.9Å; Q678-S682 PolarHBondContact O-N 2.85Å; Q678-S682 PolarHBondContact O-OG 2.9Å
679E89.8Confident85.8Confident114 Ų11482.4 Ų82.453%0.53340%0.398SS..Hα-helixtrans-63.4-49.1178-170.8-178.5169.700112.2S677 K681 S682 L683 Q777S677-E679 VanDerWaalsContact C-N 3.31Å; S677-E679 PolarHBondContact OG-N 2.84Å; E679-K681 VanDerWaalsContact C-N 3.27Å; E679-K681 PolarHBondContact O-N 3.26Å; E679-S682 WeakPolarHBondContact CA-OG 3.38Å; E679-S682 WeakPolarHBondContact O-CA 3.35Å; E679-S682 PolarHBondContact O-N 2.94Å; E679-S682 PolarHBondContact O-OG 2.59Å; E679-L683 PolarHBondContact O-N 3.19Å; E679-Q777 PolarHBondContact OE1-NE2 3.41Å
680Q91.3Very high87.8Confident23 Ų2377.1 Ų77.111%0.10737%0.371CS..Hα-helixtrans-58.6-39.6175.8-71.9170.7-24.100111.6L676 S677 S682 L683 I684 I774 Q777L676-Q680 HydrophobicContact CB-CB 4.25Å; L676-Q680 HydrophobicContact CD2-CB 3.95Å; S677-Q680 WeakPolarHBondContact OG-CB 3.46Å; S677-Q680 WeakPolarHBondContact OG-CG 2.95Å; S677-Q680 PolarHBondContact OG-N 3.07Å; Q680-S682 VanDerWaalsContact C-N 3.34Å; Q680-S682 PolarHBondContact O-N 2.8Å; Q680-L683 PolarHBondContact O-N 3.47Å; Q680-I684 WeakPolarHBondContact O-CB 3.42Å; Q680-I684 VanDerWaalsContact O-CG1 3.25Å; Q680-I684 WeakPolarHBondContact O-CG1 3.39Å; Q680-I684 PolarHBondContact O-N 3.32Å; Q680-I774 HydrophobicContact CB-CD1 3.65Å; Q680-I774 HydrophobicContact CG-CD1 3.78Å; Q680-Q777 HydrophobicContact CG-CB 4.29Å; Q680-Q777 VanDerWaalsContact CG-OE1 3.31Å
681K92Very high89.5Confident114 Ų11473.7 Ų73.750%0.49636%0.356SS..Hα-helixtrans-66.4-32.6174-72.2164.9-178.7149.60112.9L676 S677 Q678 E679 K685L676-K681 HydrophobicContact CB-CD 4.47Å; L676-K681 HydrophobicContact CB-CG 3.91Å; L676-K681 HydrophobicContact CD1-CG 4.47Å; L676-K681 VanDerWaalsContact O-CE 3.3Å; L676-K681 WeakPolarHBondContact O-CE 3.48Å; L676-K681 PolarHBondContact O-NZ 2.74Å; S677-K681 WeakPolarHBondContact O-CD 3.38Å; S677-K681 VanDerWaalsContact O-CG 3.28Å; S677-K681 WeakPolarHBondContact O-CG 3.27Å; S677-K681 PolarHBondContact O-N 3.44Å; Q678-K681 PolarHBondContact O-N 2.9Å; E679-K681 VanDerWaalsContact C-N 3.27Å; E679-K681 PolarHBondContact O-N 3.26Å; K681-K685 VanDerWaalsContact O-CB 3.3Å; K681-K685 WeakPolarHBondContact O-CB 3.19Å; K681-K685 PolarHBondContact O-N 2.82Å
682S92.1Very high90.3Very high54 Ų5478.6 Ų78.638%0.37837%0.374SS..Hα-helixtrans-70.6-44.3173.451.60000112.2Q678 E679 Q680 I684 K685 N686Q678-S682 PolarHBondContact O-N 2.85Å; Q678-S682 PolarHBondContact O-OG 2.9Å; E679-S682 WeakPolarHBondContact CA-OG 3.38Å; E679-S682 WeakPolarHBondContact O-CA 3.35Å; E679-S682 PolarHBondContact O-N 2.94Å; E679-S682 PolarHBondContact O-OG 2.59Å; Q680-S682 VanDerWaalsContact C-N 3.34Å; Q680-S682 PolarHBondContact O-N 2.8Å; S682-I684 PolarHBondContact O-N 2.84Å; S682-K685 CarbonylContact O-C 3.39Å; S682-K685 WeakPolarHBondContact O-CA 3.46Å; S682-K685 WeakPolarHBondContact O-CB 3.34Å; S682-K685 PolarHBondContact O-N 3.32Å; S682-K685 VanDerWaalsContact O-N 3.07Å; S682-N686 PolarHBondContact O-N 3.08Å; S682-N686 PolarHBondContact O-OD1 2.87Å
683L92.6Very high91Very high19 Ų1978.1 Ų78.110%0.09937%0.373CS..Hα-helixtrans-62.5-46178.3-65169.6000111.9E679 Q680 K685 N686 D687 D773 I774E679-L683 PolarHBondContact O-N 3.19Å; Q680-L683 PolarHBondContact O-N 3.47Å; L683-K685 PolarHBondContact O-N 3.17Å; L683-N686 PolarHBondContact O-N 2.98Å; L683-D687 PolarHBondContact O-N 2.8Å; L683-D687 VanDerWaalsContact O-N 3.09Å; L683-D773 HydrophobicContact CD1-CB 4.15Å; L683-D773 HydrophobicContact CD2-CB 4.19Å; L683-I774 HydrophobicContact CB-CB 3.93Å; L683-I774 HydrophobicContact CB-CD1 4.41Å; L683-I774 HydrophobicContact CD1-CB 4.34Å
684I93.6Very high91.5Very high19 Ų1974.7 Ų74.710%0.09735%0.352CS..Hα-helixtrans-57.5-35.4173.2-68.8169.1000111.7L676 Q680 S682 W694 M698 I774L676-I684 HydrophobicContact CD1-CD1 3.74Å; L676-I684 HydrophobicContact CD2-CD1 4.02Å; Q680-I684 WeakPolarHBondContact O-CB 3.42Å; Q680-I684 VanDerWaalsContact O-CG1 3.25Å; Q680-I684 WeakPolarHBondContact O-CG1 3.39Å; Q680-I684 PolarHBondContact O-N 3.32Å; S682-I684 PolarHBondContact O-N 2.84Å; I684-W694 HydrophobicContact CB-CD2 4.44Å; I684-W694 HydrophobicContact CD1-CE3 4.09Å; I684-W694 HydrophobicContact CD1-CZ3 4.03Å; I684-W694 HydrophobicContact CG1-CD2 4.07Å; I684-W694 HydrophobicContact CG1-CE3 3.88Å; I684-W694 HydrophobicContact CG1-CH2 4.22Å; I684-W694 HydrophobicContact CG1-CZ2 4.38Å; I684-W694 HydrophobicContact CG1-CZ3 3.96Å; I684-W694 HydrophobicContact CG2-CB 3.97Å; I684-W694 HydrophobicContact CG2-CD2 3.92Å; I684-W694 HydrophobicContact CG2-CE3 4.07Å; I684-W694 HydrophobicContact CG2-CG 3.86Å; I684-M698 HydrophobicContact CD1-SD 4.26Å; I684-I774 HydrophobicContact CD1-CD1 4.06Å; I684-I774 HydrophobicContact CD1-CG1 4.25Å; I684-I774 HydrophobicContact CG1-CD1 3.9Å; I684-I774 HydrophobicContact CG1-CG1 3.74Å
685K92.7Very high91.8Very high156 Ų15676.3 Ų76.368%0.67836%0.364SS*.Hα-helixtrans-78.2-27.6177.2-171.4-176.7175.2-167.60112.7K681 S682 L683 Q688K681-K685 VanDerWaalsContact O-CB 3.3Å; K681-K685 WeakPolarHBondContact O-CB 3.19Å; K681-K685 PolarHBondContact O-N 2.82Å; S682-K685 CarbonylContact O-C 3.39Å; S682-K685 WeakPolarHBondContact O-CA 3.46Å; S682-K685 WeakPolarHBondContact O-CB 3.34Å; S682-K685 PolarHBondContact O-N 3.32Å; S682-K685 VanDerWaalsContact O-N 3.07Å; L683-K685 PolarHBondContact O-N 3.17Å; K685-Q688 PolarHBondContact O-NE2 2.91Å
686N94.1Very high92.1Very high89 Ų8973.5 Ų73.548%0.47635%0.353SS..Hα-helixtrans-76.1-32.8178.3-69.1-3.7000112.2S682 L683 Q688 D770S682-N686 PolarHBondContact O-N 3.08Å; S682-N686 PolarHBondContact O-OD1 2.87Å; L683-N686 PolarHBondContact O-N 2.98Å; N686-Q688 PolarHBondContact O-N 2.69Å; N686-D770 HydrophobicContact CB-CB 4.12Å; N686-D770 WeakPolarHBondContact CB-OD1 3.15Å; N686-D770 PolarHBondContact ND2-OD1 3.23Å; N686-D770 VanDerWaalsContact ND2-OD1 3.14Å
687D94.6Very high92.3Very high3 Ų373.1 Ų73.12%0.01635%0.351CS..  trans-7264.9178-173.712.5000112.9L683 K689 N690 K691 W694 N768 D770 L771L683-D687 PolarHBondContact O-N 2.8Å; L683-D687 VanDerWaalsContact O-N 3.09Å; D687-K689 PolarHBondContact O-N 2.89Å; D687-N690 VanDerWaalsContact CG-ND2 3.3Å; D687-N690 PolarHBondContact O-N 3.48Å; D687-N690 PolarHBondContact OD1-N 3.19Å; D687-N690 PolarHBondContact OD1-ND2 3.44Å; D687-N690 VanDerWaalsContact OD2-CB 3.31Å; D687-N690 WeakPolarHBondContact OD2-CB 3.3Å; D687-N690 PolarHBondContact OD2-ND2 2.91Å; D687-K691 PolarHBondContact O-N 2.76Å; D687-W694 PolarHBondContact OD2-NE1 3.18Å; D687-N768 PolarHBondContact OD1-ND2 2.94Å; D687-D770 HydrophobicContact CB-CB 4.04Å; D687-L771 WeakPolarHBondContact OD2-CB 3.3Å
688Q93.2Very high92.4Very high132 Ų13273.5 Ų73.562%0.61735%0.348SS*.G310 helixtrans-60-28.1-178.8-67.9-65.9-43.600112.8K685 N686 K691K685-Q688 PolarHBondContact O-NE2 2.91Å; N686-Q688 PolarHBondContact O-N 2.69Å; Q688-K691 PolarHBondContact O-N 3.19Å
689K92.5Very high92.5Very high99 Ų9972.4 Ų72.443%0.4334%0.343SS..G310 helixtrans-64.8-39.5179.4-68.9-171.8172.5-173.30111.8D687 T729D687-K689 PolarHBondContact O-N 2.89Å; K689-T729 HydrophobicContact CB-CG2 3.71Å; K689-T729 HydrophobicContact CD-CG2 4.01Å; K689-T729 PolarHBondContact NZ-O 3.45Å
690N95.3Very high92.4Very high2 Ų268 Ų681%0.01133%0.325CS..G310 helixtrans-98.413.5-177.2-62.2-58.9000114.1D687 K692 L693 W694 F715 T729 N735 N768 L771D687-N690 VanDerWaalsContact CG-ND2 3.3Å; D687-N690 PolarHBondContact O-N 3.48Å; D687-N690 PolarHBondContact OD1-N 3.19Å; D687-N690 PolarHBondContact OD1-ND2 3.44Å; D687-N690 VanDerWaalsContact OD2-CB 3.31Å; D687-N690 WeakPolarHBondContact OD2-CB 3.3Å; D687-N690 PolarHBondContact OD2-ND2 2.91Å; N690-K692 PolarHBondContact O-N 2.93Å; N690-L693 HydrophobicContact CB-CB 4.47Å; N690-L693 HydrophobicContact CB-CD1 4.39Å; N690-L693 WeakPolarHBondContact O-CA 3.5Å; N690-L693 WeakPolarHBondContact O-CB 3.22Å; N690-L693 PolarHBondContact O-N 3.07Å; N690-W694 PolarHBondContact O-N 2.9Å; N690-F715 HydrophobicContact CB-CE1 4.06Å; N690-F715 HydrophobicContact CB-CZ 4.26Å; N690-T729 PolarHBondContact ND2-OG1 2.75Å; N690-T729 VanDerWaalsContact ND2-OG1 3.15Å; N690-T729 WeakPolarHBondContact OD1-CG2 3.17Å; N690-N735 PolarHBondContact ND2-OD1 3.48Å; N690-N735 PolarHBondContact OD1-ND2 2.89Å; N690-N735 PolarHBondContact OD1-OD1 2.74Å; N690-N768 PolarHBondContact ND2-ND2 3.27Å; N690-N768 VanDerWaalsContact ND2-ND2 3.16Å; N690-L771 WeakPolarHBondContact ND2-CD2 3.42Å
691K93.8Very high92.2Very high117 Ų11768.3 Ų68.351%0.50933%0.327SS..Hα-helixtrans-44.5-45.2-174-176.9-175.1170.6-170.40113.8D687 Q688 L693 W694 D695D687-K691 PolarHBondContact O-N 2.76Å; Q688-K691 PolarHBondContact O-N 3.19Å; K691-L693 PolarHBondContact O-N 3.42Å; K691-W694 PolarHBondContact O-N 3.33Å; K691-D695 WeakPolarHBondContact CE-OD2 3.44Å; K691-D695 WeakPolarHBondContact O-CB 3.38Å; K691-D695 PolarHBondContact O-N 3.21Å
692K92.6Very high91.9Very high146 Ų14666.2 Ų66.264%0.63533%0.327SS*.Hα-helixtrans-61-41.5178.6-64.7173-175.8159.40113.4N690 D695 E696N690-K692 PolarHBondContact O-N 2.93Å; K692-D695 PolarHBondContact O-N 3.22Å; K692-E696 PolarHBondContact O-N 2.95Å
693L93.3Very high91.4Very high43 Ų4367.6 Ų67.623%0.22533%0.329CS..Hα-helixtrans-70.6-37.1179.1-60.1176.6000110.5N690 K691 A697 V714 F715 N735N690-L693 HydrophobicContact CB-CB 4.47Å; N690-L693 HydrophobicContact CB-CD1 4.39Å; N690-L693 WeakPolarHBondContact O-CA 3.5Å; N690-L693 WeakPolarHBondContact O-CB 3.22Å; N690-L693 PolarHBondContact O-N 3.07Å; K691-L693 PolarHBondContact O-N 3.42Å; L693-A697 WeakPolarHBondContact O-CB 3.21Å; L693-A697 PolarHBondContact O-N 3.39Å; L693-V714 HydrophobicContact CB-CG1 3.69Å; L693-V714 HydrophobicContact CD2-CG1 4.2Å; L693-V714 HydrophobicContact CG-CG1 4.4Å; L693-F715 HydrophobicContact CB-CE1 4.2Å; L693-F715 HydrophobicContact CB-CZ 3.89Å; L693-F715 HydrophobicContact CD1-CE1 4.06Å; L693-N735 WeakPolarHBondContact CD1-ND2 3.39Å
694W95.6Very high91Very high3 Ų366.8 Ų66.81%0.01133%0.325CS..Hα-helixtrans-66.5-44.4171.1-77.3121000112.5I684 D687 N690 K691 E696 A697 M698 V711 F715 L771 I774 L778I684-W694 HydrophobicContact CB-CD2 4.44Å; I684-W694 HydrophobicContact CD1-CE3 4.09Å; I684-W694 HydrophobicContact CD1-CZ3 4.03Å; I684-W694 HydrophobicContact CG1-CD2 4.07Å; I684-W694 HydrophobicContact CG1-CE3 3.88Å; I684-W694 HydrophobicContact CG1-CH2 4.22Å; I684-W694 HydrophobicContact CG1-CZ2 4.38Å; I684-W694 HydrophobicContact CG1-CZ3 3.96Å; I684-W694 HydrophobicContact CG2-CB 3.97Å; I684-W694 HydrophobicContact CG2-CD2 3.92Å; I684-W694 HydrophobicContact CG2-CE3 4.07Å; I684-W694 HydrophobicContact CG2-CG 3.86Å; D687-W694 PolarHBondContact OD2-NE1 3.18Å; N690-W694 PolarHBondContact O-N 2.9Å; K691-W694 PolarHBondContact O-N 3.33Å; W694-E696 VanDerWaalsContact C-N 3.35Å; W694-E696 PolarHBondContact O-N 2.85Å; W694-A697 HydrophobicContact CE3-CB 4.45Å; W694-A697 PolarHBondContact O-N 3.3Å; W694-M698 VanDerWaalsContact O-CB 3.22Å; W694-M698 WeakPolarHBondContact O-CB 3.41Å; W694-M698 WeakPolarHBondContact O-CG 3.33Å; W694-M698 PolarHBondContact O-N 3.33Å; W694-V711 HydrophobicContact CH2-CG1 4.03Å; W694-V711 HydrophobicContact CZ3-CG1 4.12Å; W694-V711 HydrophobicContact CZ3-CG2 4.22Å; W694-F715 AromaticContact CD2-CE2 3.94Å; W694-F715 HydrophobicContact CD2-CE2 3.94Å; W694-F715 AromaticContact CD2-CZ 3.88Å; W694-F715 HydrophobicContact CD2-CZ 3.88Å; W694-F715 AromaticContact CE2-CE2 3.73Å; W694-F715 AromaticContact CE2-CZ 3.49Å; W694-F715 VanDerWaalsContact CE2-CZ 3.49Å; W694-F715 HydrophobicContact CE3-CE2 4.02Å; W694-F715 HydrophobicContact CE3-CZ 4.43Å; W694-F715 HydrophobicContact CG-CZ 4.27Å; W694-F715 HydrophobicContact CH2-CD2 4.32Å; W694-F715 AromaticContact CH2-CE2 3.69Å; W694-F715 HydrophobicContact CH2-CE2 3.69Å; W694-F715 HydrophobicContact CH2-CZ 4.28Å; W694-F715 HydrophobicContact CZ2-CD2 4.4Å; W694-F715 AromaticContact CZ2-CE2 3.59Å; W694-F715 HydrophobicContact CZ2-CE2 3.59Å; W694-F715 AromaticContact CZ2-CZ 3.7Å; W694-F715 HydrophobicContact CZ2-CZ 3.7Å; W694-F715 AromaticContact CZ3-CE2 3.91Å; W694-F715 HydrophobicContact CZ3-CE2 3.91Å; W694-F715 AromaticContact NE1-CZ 3.7Å; W694-L771 HydrophobicContact CZ2-CD1 3.64Å; W694-I774 HydrophobicContact CH2-CG1 3.84Å; W694-I774 HydrophobicContact CH2-CG2 3.86Å; W694-I774 HydrophobicContact CZ2-CB 4.46Å; W694-I774 HydrophobicContact CZ2-CG1 4.15Å; W694-I774 HydrophobicContact CZ2-CG2 3.41Å; W694-I774 VanDerWaalsContact CZ2-CG2 3.41Å; W694-L778 HydrophobicContact CH2-CD1 4.1Å; W694-L778 HydrophobicContact CZ3-CD1 4.31Å
695D91.3Very high90.2Very high89 Ų8966.7 Ų66.748%0.47633%0.326SS..Hα-helixtrans-56.8-47.7175.2-70.5-30.2000110.2K691 K692 M698 E699K691-D695 WeakPolarHBondContact CE-OD2 3.44Å; K691-D695 WeakPolarHBondContact O-CB 3.38Å; K691-D695 PolarHBondContact O-N 3.21Å; K692-D695 PolarHBondContact O-N 3.22Å; D695-M698 PolarHBondContact O-N 2.54Å; D695-E699 PolarHBondContact O-N 2.95Å
696E91.3Very high89.7Confident86 Ų8665.2 Ų65.240%0.40232%0.32SS..Hα-helixtrans-60-47175-171.7-166.2151.500113K692 W694 M698 E699 K710K692-E696 PolarHBondContact O-N 2.95Å; W694-E696 VanDerWaalsContact C-N 3.35Å; W694-E696 PolarHBondContact O-N 2.85Å; E696-M698 VanDerWaalsContact C-N 3.27Å; E696-M698 PolarHBondContact O-N 3.46Å; E696-E699 PolarHBondContact O-N 2.98Å; E696-K710 VanDerWaalsContact OE1-CE 3.22Å; E696-K710 WeakPolarHBondContact OE1-CE 3.37Å; E696-K710 IonicContact OE1-NZ 3.74Å; E696-K710 PolarHBondContact OE1-NZ 3.31Å
697A91Very high89.4Confident0 Ų061 Ų610%030%0.297CS..Hα-helixtrans-63.9-35.217800000111.9L693 W694 E699 S700 F707 V711L693-A697 WeakPolarHBondContact O-CB 3.21Å; L693-A697 PolarHBondContact O-N 3.39Å; W694-A697 HydrophobicContact CE3-CB 4.45Å; W694-A697 PolarHBondContact O-N 3.3Å; A697-E699 PolarHBondContact O-N 3.34Å; A697-S700 WeakPolarHBondContact O-CB 3.48Å; A697-S700 PolarHBondContact O-N 3.47Å; A697-S700 VanDerWaalsContact O-N 3.12Å; A697-F707 WeakPolarHBondContact O-CD2 3.14Å; A697-F707 VanDerWaalsContact O-CE2 3.31Å; A697-F707 WeakPolarHBondContact O-CE2 3.11Å; A697-V711 HydrophobicContact CB-CG2 4.12Å
698M91Very high89Confident58 Ų5861.4 Ų61.429%0.28630%0.299SS..Hα-helixtrans-72.7-25.5-176.2-71.1-78.9-8000113.4L676 I684 W694 D695 E696 S700 L701 F707L676-M698 HydrophobicContact CD1-CE 3.86Å; L676-M698 HydrophobicContact CD1-SD 3.44Å; L676-M698 WeakPolarHBondContact CD1-SD 3.48Å; I684-M698 HydrophobicContact CD1-SD 4.26Å; W694-M698 VanDerWaalsContact O-CB 3.22Å; W694-M698 WeakPolarHBondContact O-CB 3.41Å; W694-M698 WeakPolarHBondContact O-CG 3.33Å; W694-M698 PolarHBondContact O-N 3.33Å; D695-M698 PolarHBondContact O-N 2.54Å; E696-M698 VanDerWaalsContact C-N 3.27Å; E696-M698 PolarHBondContact O-N 3.46Å; M698-S700 PolarHBondContact O-N 3.04Å; M698-L701 HydrophobicContact CB-CD1 4.45Å; M698-L701 HydrophobicContact CE-CD1 3.79Å; M698-L701 VanDerWaalsContact O-CB 3.31Å; M698-L701 WeakPolarHBondContact O-CB 3.14Å; M698-L701 VanDerWaalsContact O-CG 3.26Å; M698-L701 WeakPolarHBondContact O-CG 3.32Å; M698-L701 PolarHBondContact O-N 3.49Å; M698-L701 VanDerWaalsContact O-N 3.12Å; M698-L701 HydrophobicContact SD-CD1 3.69Å; M698-L701 HydrophobicContact SD-CD2 4.31Å; M698-L701 HydrophobicContact SD-CG 4.05Å; M698-F707 HydrophobicContact SD-CE2 4.31Å; M698-F707 HydrophobicContact SD-CZ 4.37Å
699E89.8Confident88.6Confident155 Ų15557.9 Ų57.972%0.72429%0.287SS*.Hα-helixtrans-56.4-35167.7-64.3-172.9174.800111.6D695 E696 A697 L701 S702D695-E699 PolarHBondContact O-N 2.95Å; E696-E699 PolarHBondContact O-N 2.98Å; A697-E699 PolarHBondContact O-N 3.34Å; E699-L701 VanDerWaalsContact C-N 3.28Å; E699-L701 PolarHBondContact O-N 2.78Å; E699-S702 PolarHBondContact O-OG 3.39Å; E699-S702 VanDerWaalsContact O-OG 3.09Å
700S87.7Confident88.4Confident21 Ų2155.2 Ų55.215%0.14728%0.275CS..G310 helixtrans-79.10.2-179.9-67.70000114.8A697 M698 S702 L703A697-S700 WeakPolarHBondContact O-CB 3.48Å; A697-S700 PolarHBondContact O-N 3.47Å; A697-S700 VanDerWaalsContact O-N 3.12Å; M698-S700 PolarHBondContact O-N 3.04Å; S700-S702 PolarHBondContact O-N 2.86Å; S700-S702 VanDerWaalsContact O-N 3.13Å; S700-L703 WeakPolarHBondContact O-CB 3.12Å; S700-L703 PolarHBondContact O-N 3.01Å
701L86.8Confident88.2Confident30 Ų3055.1 Ų55.116%0.15728%0.275CS..G310 helixtrans-53.5-32.4169-76.1174.8000111.9V673 Y674 L676 M698 E699 L703 G704 F707V673-L701 CarbonylContact C-O 3.43Å; V673-L701 WeakPolarHBondContact CA-O 3.18Å; V673-L701 HydrophobicContact CG1-CB 3.86Å; V673-L701 WeakPolarHBondContact CG1-O 3.49Å; Y674-L701 HydrophobicContact CD1-CD2 3.97Å; Y674-L701 HydrophobicContact CG-CD2 4.4Å; Y674-L701 PolarHBondContact N-O 3.4Å; L676-L701 HydrophobicContact CD1-CD1 4.44Å; L676-L701 HydrophobicContact CD1-CD2 3.89Å; L676-L701 HydrophobicContact CG-CD2 4.15Å; M698-L701 HydrophobicContact CB-CD1 4.45Å; M698-L701 HydrophobicContact CE-CD1 3.79Å; M698-L701 VanDerWaalsContact O-CB 3.31Å; M698-L701 WeakPolarHBondContact O-CB 3.14Å; M698-L701 VanDerWaalsContact O-CG 3.26Å; M698-L701 WeakPolarHBondContact O-CG 3.32Å; M698-L701 PolarHBondContact O-N 3.49Å; M698-L701 VanDerWaalsContact O-N 3.12Å; M698-L701 HydrophobicContact SD-CD1 3.69Å; M698-L701 HydrophobicContact SD-CD2 4.31Å; M698-L701 HydrophobicContact SD-CG 4.05Å; E699-L701 VanDerWaalsContact C-N 3.28Å; E699-L701 PolarHBondContact O-N 2.78Å; L701-L703 PolarHBondContact O-N 2.83Å; L701-L703 VanDerWaalsContact O-N 3.15Å; L701-G704 PolarHBondContact O-N 3.45Å; L701-F707 HydrophobicContact CD2-CD1 4.18Å; L701-F707 HydrophobicContact CD2-CD2 3.66Å; L701-F707 HydrophobicContact CD2-CE1 4.16Å; L701-F707 HydrophobicContact CD2-CE2 3.61Å; L701-F707 HydrophobicContact CD2-CG 3.94Å; L701-F707 HydrophobicContact CD2-CZ 3.87Å; L701-F707 HydrophobicContact CG-CD2 4.01Å; L701-F707 HydrophobicContact CG-CE2 3.97Å
702S84.3Confident88Confident69 Ų6951.8 Ų51.848%0.48326%0.261SS..G310 helixtrans-61.8-16177.262.20000114.4E699 S700E699-S702 PolarHBondContact O-OG 3.39Å; E699-S702 VanDerWaalsContact O-OG 3.09Å; S700-S702 PolarHBondContact O-N 2.86Å; S700-S702 VanDerWaalsContact O-N 3.13Å
703L81.8Confident87.8Confident84 Ų8450.4 Ų50.444%0.4426%0.257SS..G310 helixtrans-91.45.5-177.6-50.7-178.8000113.9S700 L701 K706S700-L703 WeakPolarHBondContact O-CB 3.12Å; S700-L703 PolarHBondContact O-N 3.01Å; L701-L703 PolarHBondContact O-N 2.83Å; L701-L703 VanDerWaalsContact O-N 3.15Å; L703-K706 HydrophobicContact CB-CB 3.93Å
704G84.2Confident87.7Confident1 Ų149.5 Ų49.51%0.0125%0.253CS..THydrogen-bonded Turntrans64.1-132.8179.200000111.7E672 L701 K706 F707E672-G704 WeakPolarHBondContact O-CA 3.38Å; L701-G704 PolarHBondContact O-N 3.45Å; G704-K706 PolarHBondContact O-N 2.99Å; G704-F707 VanDerWaalsContact O-CB 3.26Å; G704-F707 WeakPolarHBondContact O-CB 3.15Å; G704-F707 PolarHBondContact O-N 3.47Å
705P77.9Confident87.7Confident18 Ų1849.3 Ų49.312%0.11725%0.252CS..THydrogen-bonded Turntrans-53.4-28.1-178.4-27.335.5000115.1P441 L617 L619 F707 L708P441-P705 HydrophobicContact CG-CB 4.28Å; P441-P705 HydrophobicContact CG-CG 4.2Å; L617-P705 HydrophobicContact CB-CG 3.93Å; L617-P705 HydrophobicContact CD1-CG 4.25Å; L617-P705 HydrophobicContact CD2-CG 3.97Å; L617-P705 HydrophobicContact CG-CG 4.26Å; L617-P705 WeakPolarHBondContact O-CD 3.5Å; L619-P705 HydrophobicContact CD2-CG 4.26Å; P705-F707 PolarHBondContact O-N 3.42Å; P705-L708 PolarHBondContact O-N 2.95Å; P705-L708 VanDerWaalsContact O-N 3.16Å
706K81.3Confident87.7Confident124 Ų12448.5 Ų48.554%0.53925%0.247SC..Hα-helixtrans-65.4-15.1178.5-63.6-171.7176.3-168.40114L703 G704 L708 T709 K710L703-K706 HydrophobicContact CB-CB 3.93Å; G704-K706 PolarHBondContact O-N 2.99Å; K706-L708 PolarHBondContact O-N 3.44Å; K706-T709 PolarHBondContact O-N 3.42Å; K706-T709 VanDerWaalsContact O-N 3.14Å; K706-K710 PolarHBondContact O-N 3.12Å; K706-K710 VanDerWaalsContact O-N 3.08Å
707F87.9Confident87.7Confident0 Ų044.5 Ų44.50%023%0.229CC..Hα-helixtrans-51-42.9168.3169-104.3000111.4Y674 L676 A697 M698 L701 G704 P705 T709 K710 V711 L778Y674-F707 AromaticContact CD1-CD1 3.42Å; Y674-F707 HydrophobicContact CD1-CD1 3.42Å; Y674-F707 VanDerWaalsContact CD1-CD1 3.42Å; Y674-F707 AromaticContact CD1-CE1 3.82Å; Y674-F707 HydrophobicContact CD1-CE1 3.82Å; Y674-F707 HydrophobicContact CD1-CG 4.16Å; Y674-F707 HydrophobicContact CD2-CB 4.23Å; Y674-F707 HydrophobicContact CD2-CD1 4.1Å; Y674-F707 AromaticContact CE1-CD1 3.66Å; Y674-F707 HydrophobicContact CE1-CD1 3.66Å; Y674-F707 AromaticContact CE1-CE1 3.83Å; Y674-F707 HydrophobicContact CE1-CE1 3.83Å; Y674-F707 HydrophobicContact CE2-CD1 4.3Å; Y674-F707 HydrophobicContact CG-CB 4Å; Y674-F707 AromaticContact CG-CD1 3.67Å; Y674-F707 HydrophobicContact CG-CD1 3.67Å; Y674-F707 HydrophobicContact CG-CG 4.08Å; L676-F707 HydrophobicContact CD1-CZ 4.34Å; L676-F707 HydrophobicContact CD2-CE1 3.96Å; L676-F707 HydrophobicContact CD2-CZ 4.24Å; L676-F707 HydrophobicContact CG-CE1 4.5Å; A697-F707 WeakPolarHBondContact O-CD2 3.14Å; A697-F707 VanDerWaalsContact O-CE2 3.31Å; A697-F707 WeakPolarHBondContact O-CE2 3.11Å; M698-F707 HydrophobicContact SD-CE2 4.31Å; M698-F707 HydrophobicContact SD-CZ 4.37Å; L701-F707 HydrophobicContact CD2-CD1 4.18Å; L701-F707 HydrophobicContact CD2-CD2 3.66Å; L701-F707 HydrophobicContact CD2-CE1 4.16Å; L701-F707 HydrophobicContact CD2-CE2 3.61Å; L701-F707 HydrophobicContact CD2-CG 3.94Å; L701-F707 HydrophobicContact CD2-CZ 3.87Å; L701-F707 HydrophobicContact CG-CD2 4.01Å; L701-F707 HydrophobicContact CG-CE2 3.97Å; G704-F707 VanDerWaalsContact O-CB 3.26Å; G704-F707 WeakPolarHBondContact O-CB 3.15Å; G704-F707 PolarHBondContact O-N 3.47Å; P705-F707 PolarHBondContact O-N 3.42Å; F707-T709 PolarHBondContact O-N 3.07Å; F707-K710 PolarHBondContact O-N 3.35Å; F707-K710 VanDerWaalsContact O-N 3.09Å; F707-V711 HydrophobicContact CD1-CG2 4.29Å; F707-V711 HydrophobicContact CD2-CG2 4.28Å; F707-V711 HydrophobicContact CE1-CG2 3.8Å; F707-V711 HydrophobicContact CE2-CG2 3.8Å; F707-V711 HydrophobicContact CZ-CG2 3.54Å; F707-V711 WeakPolarHBondContact O-CG2 3.41Å; F707-V711 PolarHBondContact O-N 3.37Å; F707-L778 HydrophobicContact CE1-CD2 4.38Å
708L87.1Confident87.6Confident13 Ų1349 Ų497%0.06825%0.252CS..Hα-helixtrans-65.5-36.6179.6-69.3174.2000112.4Y674 P705 K706 K710 V711 E712 L778 F779Y674-L708 HydrophobicContact CE2-CD1 3.95Å; Y674-L708 HydrophobicContact CE2-CD2 4.48Å; Y674-L708 HydrophobicContact CE2-CG 3.93Å; P705-L708 PolarHBondContact O-N 2.95Å; P705-L708 VanDerWaalsContact O-N 3.16Å; K706-L708 PolarHBondContact O-N 3.44Å; L708-K710 VanDerWaalsContact C-N 3.32Å; L708-K710 PolarHBondContact O-N 3.34Å; L708-V711 PolarHBondContact O-N 2.74Å; L708-E712 WeakPolarHBondContact O-CB 3.37Å; L708-E712 PolarHBondContact O-N 3.12Å; L708-L778 HydrophobicContact CD2-CB 3.83Å; L708-L778 HydrophobicContact CD2-CD2 3.9Å; L708-L778 HydrophobicContact CD2-CG 4.31Å; L708-F779 HydrophobicContact CB-CE1 4.22Å; L708-F779 HydrophobicContact CD2-CE1 4.45Å; L708-F779 HydrophobicContact CD2-CZ 4.45Å; L708-F779 WeakPolarHBondContact O-CZ 3.43Å
709T84.5Confident87.3Confident57 Ų5749 Ų4935%0.3526%0.257SS..Hα-helixtrans-65.1-35.5172.3-510000111.7K706 F707 E712 E713K706-T709 PolarHBondContact O-N 3.42Å; K706-T709 VanDerWaalsContact O-N 3.14Å; F707-T709 PolarHBondContact O-N 3.07Å; T709-E712 WeakPolarHBondContact O-CB 3.43Å; T709-E712 PolarHBondContact O-N 3.43Å; T709-E713 WeakPolarHBondContact O-CB 3.47Å; T709-E713 VanDerWaalsContact O-CG 3.28Å; T709-E713 WeakPolarHBondContact O-CG 3.38Å; T709-E713 PolarHBondContact O-N 3.42Å
710K88.2Confident87Confident44 Ų4444.1 Ų44.119%0.19124%0.239CC..Hα-helixtrans-69.9-38.4174.6-177.157.6179161.80112.4E696 K706 F707 L708 E713 V714E696-K710 VanDerWaalsContact OE1-CE 3.22Å; E696-K710 WeakPolarHBondContact OE1-CE 3.37Å; E696-K710 IonicContact OE1-NZ 3.74Å; E696-K710 PolarHBondContact OE1-NZ 3.31Å; K706-K710 PolarHBondContact O-N 3.12Å; K706-K710 VanDerWaalsContact O-N 3.08Å; F707-K710 PolarHBondContact O-N 3.35Å; F707-K710 VanDerWaalsContact O-N 3.09Å; L708-K710 VanDerWaalsContact C-N 3.32Å; L708-K710 PolarHBondContact O-N 3.34Å; K710-E713 PolarHBondContact O-N 2.93Å; K710-V714 HydrophobicContact CD-CG2 3.93Å; K710-V714 VanDerWaalsContact CE-CG2 3.47Å; K710-V714 HydrophobicContact CG-CG2 4.28Å; K710-V714 WeakPolarHBondContact O-CB 3.25Å; K710-V714 WeakPolarHBondContact O-CG2 3.21Å; K710-V714 PolarHBondContact O-N 3.12Å
711V91.4Very high86.8Confident0 Ų049.9 Ų49.90%026%0.264CS..Hα-helixtrans-64.2-41.8173178.10000110.6W694 A697 F707 L708 V714 F715 L775 L778 F779W694-V711 HydrophobicContact CH2-CG1 4.03Å; W694-V711 HydrophobicContact CZ3-CG1 4.12Å; W694-V711 HydrophobicContact CZ3-CG2 4.22Å; A697-V711 HydrophobicContact CB-CG2 4.12Å; F707-V711 HydrophobicContact CD1-CG2 4.29Å; F707-V711 HydrophobicContact CD2-CG2 4.28Å; F707-V711 HydrophobicContact CE1-CG2 3.8Å; F707-V711 HydrophobicContact CE2-CG2 3.8Å; F707-V711 HydrophobicContact CZ-CG2 3.54Å; F707-V711 WeakPolarHBondContact O-CG2 3.41Å; F707-V711 PolarHBondContact O-N 3.37Å; L708-V711 PolarHBondContact O-N 2.74Å; V711-V714 PolarHBondContact O-N 2.72Å; V711-F715 HydrophobicContact CG1-CD2 3.91Å; V711-F715 HydrophobicContact CG1-CE2 4.43Å; V711-F715 WeakPolarHBondContact O-CD2 3.33Å; V711-F715 PolarHBondContact O-N 2.93Å; V711-L775 HydrophobicContact CG1-CD2 3.95Å; V711-L778 HydrophobicContact CG1-CD1 3.96Å; V711-L778 HydrophobicContact CG2-CD1 4.4Å; V711-F779 HydrophobicContact CB-CE2 4.4Å; V711-F779 HydrophobicContact CB-CZ 4.15Å; V711-F779 HydrophobicContact CG1-CE2 3.83Å; V711-F779 HydrophobicContact CG1-CZ 4.09Å
712E88.8Confident86.8Confident47 Ų4750.7 Ų50.722%0.2227%0.267CS..Hα-helixtrans-55-54.2172.6169.5-179.1-158.900110.7I428 L708 T709 V714 F715 L716 V723 F779I428-E712 WeakPolarHBondContact CD1-OE1 3.34Å; I428-E712 WeakPolarHBondContact CG1-OE1 3.3Å; L708-E712 WeakPolarHBondContact O-CB 3.37Å; L708-E712 PolarHBondContact O-N 3.12Å; T709-E712 WeakPolarHBondContact O-CB 3.43Å; T709-E712 PolarHBondContact O-N 3.43Å; E712-V714 PolarHBondContact O-N 3.26Å; E712-F715 PolarHBondContact O-N 2.87Å; E712-L716 HydrophobicContact CG-CD2 4.38Å; E712-L716 VanDerWaalsContact O-CD2 3.23Å; E712-L716 WeakPolarHBondContact O-CD2 3.45Å; E712-L716 VanDerWaalsContact O-CG 3.23Å; E712-L716 WeakPolarHBondContact O-CG 3.44Å; E712-L716 PolarHBondContact O-N 2.96Å; E712-V723 HydrophobicContact CB-CG2 4.11Å; E712-V723 HydrophobicContact CG-CG2 3.79Å; E712-F779 HydrophobicContact CB-CE1 4.23Å; E712-F779 HydrophobicContact CB-CZ 4.02Å
713E88Confident87.1Confident117 Ų11747.6 Ų47.655%0.54725%0.245SC..Hα-helixtrans-58.3-42.7177.8-74.4168.6-173.800113.9T709 K710T709-E713 WeakPolarHBondContact O-CB 3.47Å; T709-E713 VanDerWaalsContact O-CG 3.28Å; T709-E713 WeakPolarHBondContact O-CG 3.38Å; T709-E713 PolarHBondContact O-N 3.42Å; K710-E713 PolarHBondContact O-N 2.93Å
714V92.7Very high87.6Confident23 Ų2343.6 Ų43.614%0.13922%0.224CC..Hα-helixtrans-72.7-31.1-176.4167.20000112.3L693 K710 V711 E712L693-V714 HydrophobicContact CB-CG1 3.69Å; L693-V714 HydrophobicContact CD2-CG1 4.2Å; L693-V714 HydrophobicContact CG-CG1 4.4Å; K710-V714 HydrophobicContact CD-CG2 3.93Å; K710-V714 VanDerWaalsContact CE-CG2 3.47Å; K710-V714 HydrophobicContact CG-CG2 4.28Å; K710-V714 WeakPolarHBondContact O-CB 3.25Å; K710-V714 WeakPolarHBondContact O-CG2 3.21Å; K710-V714 PolarHBondContact O-N 3.12Å; V711-V714 PolarHBondContact O-N 2.72Å; E712-V714 PolarHBondContact O-N 3.26Å
715F94.4Very high88Confident0 Ų045 Ų450%023%0.23CC..THydrogen-bonded Turntrans-109.430.8-177.7-68-75.4000113.2N690 L693 W694 V711 E712 V723 V724 L771 L775N690-F715 HydrophobicContact CB-CE1 4.06Å; N690-F715 HydrophobicContact CB-CZ 4.26Å; L693-F715 HydrophobicContact CB-CE1 4.2Å; L693-F715 HydrophobicContact CB-CZ 3.89Å; L693-F715 HydrophobicContact CD1-CE1 4.06Å; W694-F715 AromaticContact CD2-CE2 3.94Å; W694-F715 HydrophobicContact CD2-CE2 3.94Å; W694-F715 AromaticContact CD2-CZ 3.88Å; W694-F715 HydrophobicContact CD2-CZ 3.88Å; W694-F715 AromaticContact CE2-CE2 3.73Å; W694-F715 AromaticContact CE2-CZ 3.49Å; W694-F715 VanDerWaalsContact CE2-CZ 3.49Å; W694-F715 HydrophobicContact CE3-CE2 4.02Å; W694-F715 HydrophobicContact CE3-CZ 4.43Å; W694-F715 HydrophobicContact CG-CZ 4.27Å; W694-F715 HydrophobicContact CH2-CD2 4.32Å; W694-F715 AromaticContact CH2-CE2 3.69Å; W694-F715 HydrophobicContact CH2-CE2 3.69Å; W694-F715 HydrophobicContact CH2-CZ 4.28Å; W694-F715 HydrophobicContact CZ2-CD2 4.4Å; W694-F715 AromaticContact CZ2-CE2 3.59Å; W694-F715 HydrophobicContact CZ2-CE2 3.59Å; W694-F715 AromaticContact CZ2-CZ 3.7Å; W694-F715 HydrophobicContact CZ2-CZ 3.7Å; W694-F715 AromaticContact CZ3-CE2 3.91Å; W694-F715 HydrophobicContact CZ3-CE2 3.91Å; W694-F715 AromaticContact NE1-CZ 3.7Å; V711-F715 HydrophobicContact CG1-CD2 3.91Å; V711-F715 HydrophobicContact CG1-CE2 4.43Å; V711-F715 WeakPolarHBondContact O-CD2 3.33Å; V711-F715 PolarHBondContact O-N 2.93Å; E712-F715 PolarHBondContact O-N 2.87Å; F715-V723 WeakPolarHBondContact O-CA 3.36Å; F715-V724 HydrophobicContact CB-CG2 4.22Å; F715-V724 WeakPolarHBondContact O-CG2 3.42Å; F715-V724 PolarHBondContact O-N 2.84Å; F715-L771 HydrophobicContact CD1-CD1 3.78Å; F715-L771 HydrophobicContact CD1-CD2 3.95Å; F715-L771 HydrophobicContact CE1-CD1 3.6Å; F715-L771 HydrophobicContact CE1-CD2 3.99Å; F715-L771 HydrophobicContact CE1-CG 4.49Å; F715-L771 HydrophobicContact CE2-CD1 4.5Å; F715-L771 HydrophobicContact CG-CD1 4.31Å; F715-L771 HydrophobicContact CZ-CD1 3.99Å; F715-L775 HydrophobicContact CB-CD1 4.42Å; F715-L775 HydrophobicContact CB-CD2 4.28Å; F715-L775 HydrophobicContact CD2-CD2 4.44Å; F715-L775 HydrophobicContact CG-CD2 4.47Å
716L91.7Very high88.8Confident72 Ų7247.4 Ų47.438%0.37724%0.24SC..BIsolated β-bridgetrans-72.1136.1167.8-64.6-174.9000111.9E712 E722 V723E712-L716 HydrophobicContact CG-CD2 4.38Å; E712-L716 VanDerWaalsContact O-CD2 3.23Å; E712-L716 WeakPolarHBondContact O-CD2 3.45Å; E712-L716 VanDerWaalsContact O-CG 3.23Å; E712-L716 WeakPolarHBondContact O-CG 3.44Å; E712-L716 PolarHBondContact O-N 2.96Å; L716-E722 CarbonylContact C-O 3.57Å; L716-E722 WeakPolarHBondContact CA-O 3.49Å; L716-V723 HydrophobicContact CD2-CG2 4.32Å
717C90.9Very high89.5Confident1 Ų141.5 Ų41.51%0.00721%0.214CC..  trans-74.4124.3167.9-1750000110.2C719 Q721 E722 V724 C737C717-C719 PolarHBondContact O-N 2.8Å; C717-Q721 VanDerWaalsContact O-CA 3.24Å; C717-Q721 WeakPolarHBondContact O-CA 3.27Å; C717-Q721 PolarHBondContact O-N 3.5Å; C717-E722 PolarHBondContact N-O 2.84Å; C717-V724 HydrophobicContact CB-CG1 3.74Å; C717-C737 VanDerWaalsContact CB-SG 3.52Å; C717-C737 PolarHBondContact SG-N 2.95Å; C717-C737 VanDerWaalsContact SG-N 3.4Å
718I89.7Confident89.9Confident96 Ų9641.6 Ų41.649%0.49221%0.214SC..THydrogen-bonded Turntrans-59-20.9178.1-166.956.1000114.1P753 A754I718-P753 HydrophobicContact CG2-CB 3.89Å; I718-A754 HydrophobicContact CB-CB 4.46Å; I718-A754 HydrophobicContact CG2-CB 4.04Å
719C84.3Confident90.3Very high58 Ų5841 Ų4139%0.39221%0.211SC..THydrogen-bonded Turntrans-86.9-52.7-176.4-58.80000113.2C717 C740 P753C717-C719 PolarHBondContact O-N 2.8Å; C719-C740 HydrophobicContact CB-CB 3.56Å; C719-P753 VanDerWaalsContact SG-CB 3.57Å
720C83.9Confident90.7Very high51 Ų5138.4 Ų38.435%0.34520%0.195SC..THydrogen-bonded Turntrans-97.3-10.4-179.9640000114.4E722C720-E722 PolarHBondContact O-N 3.19Å
721Q83.7Confident90.9Very high142 Ų14241.7 Ų41.766%0.66421%0.211SC*.SBendtrans61.823.3-177.9-52.4-176.23.600114.6C717C717-Q721 VanDerWaalsContact O-CA 3.24Å; C717-Q721 WeakPolarHBondContact O-CA 3.27Å; C717-Q721 PolarHBondContact O-N 3.5Å
722E85.5Confident91Very high47 Ų4743.1 Ų43.122%0.2222%0.221CC..SBendtrans-111164.1172-55.3-172.8146.300111.5T427 L716 C717 C720 V724 R786T427-E722 VanDerWaalsContact CB-OE1 3.3Å; T427-E722 WeakPolarHBondContact CB-OE1 3.36Å; T427-E722 HydrophobicContact CG2-CG 4.13Å; T427-E722 VanDerWaalsContact CG2-OE1 3.28Å; T427-E722 WeakPolarHBondContact CG2-OE1 3.45Å; L716-E722 CarbonylContact C-O 3.57Å; L716-E722 WeakPolarHBondContact CA-O 3.49Å; C717-E722 PolarHBondContact N-O 2.84Å; C720-E722 PolarHBondContact O-N 3.19Å; E722-V724 PolarHBondContact O-N 2.82Å; E722-R786 WeakPolarHBondContact OE2-CD 3.41Å; E722-R786 IonicContact OE2-CZ 2.74Å; E722-R786 IonicContact OE2-NE 2.79Å; E722-R786 IonicContact OE2-NH1 3.64Å; E722-R786 PolarHBondContact OE2-NH1 3.03Å
723V90.6Very high91.2Very high4 Ų445.4 Ų45.42%0.02423%0.231CC..BIsolated β-bridgetrans-56.4127.9171.4-173.90000109.9E712 F715 L716 F725 L775 F779 Y782 R786E712-V723 HydrophobicContact CB-CG2 4.11Å; E712-V723 HydrophobicContact CG-CG2 3.79Å; F715-V723 WeakPolarHBondContact O-CA 3.36Å; L716-V723 HydrophobicContact CD2-CG2 4.32Å; V723-F725 PolarHBondContact O-N 2.87Å; V723-L775 HydrophobicContact CG1-CD1 4.16Å; V723-L775 HydrophobicContact CG1-CD2 4Å; V723-F779 HydrophobicContact CG1-CD2 4.42Å; V723-F779 HydrophobicContact CG1-CE2 4.39Å; V723-Y782 HydrophobicContact CB-CD2 4.06Å; V723-Y782 HydrophobicContact CB-CE2 4.14Å; V723-Y782 HydrophobicContact CG1-CD2 4Å; V723-Y782 HydrophobicContact CG1-CE2 3.74Å; V723-R786 PolarHBondContact O-NH1 2.98Å; V723-R786 PolarHBondContact O-NH2 3.28Å
724V92.4Very high91.5Very high0 Ų043.1 Ų43.10%022%0.221CC..  trans-54.6133-171.1-72.50000113.5F715 C717 E722 P727 N735 L771 L775 Y782F715-V724 HydrophobicContact CB-CG2 4.22Å; F715-V724 WeakPolarHBondContact O-CG2 3.42Å; F715-V724 PolarHBondContact O-N 2.84Å; C717-V724 HydrophobicContact CB-CG1 3.74Å; E722-V724 PolarHBondContact O-N 2.82Å; V724-P727 HydrophobicContact CB-CB 4.03Å; V724-P727 HydrophobicContact CG2-CB 3.75Å; V724-P727 HydrophobicContact CG2-CG 4.39Å; V724-N735 HydrophobicContact CG1-CB 4.07Å; V724-N735 HydrophobicContact CG2-CB 4.45Å; V724-L771 HydrophobicContact CG2-CD2 4.26Å; V724-L775 HydrophobicContact CG2-CD1 3.61Å; V724-Y782 WeakPolarHBondContact O-CE2 3.37Å; V724-Y782 PolarHBondContact O-OH 3.12Å
725F93.1Very high91.7Very high32 Ų3242.8 Ų42.814%0.1422%0.218CC..SBendtrans-117.5135.8175.1-176.4-123.3000110.4V723 P727 C737 K738 R786V723-F725 PolarHBondContact O-N 2.87Å; F725-P727 VanDerWaalsContact C-N 3.35Å; F725-C737 PolarHBondContact N-SG 3.08Å; F725-C737 VanDerWaalsContact O-CA 3.23Å; F725-C737 WeakPolarHBondContact O-CA 3.4Å; F725-C737 WeakPolarHBondContact O-CB 3.41Å; F725-K738 PolarHBondContact O-N 3.05Å; F725-R786 HydrophobicContact CD1-CB 4.09Å; F725-R786 VanDerWaalsContact CD1-OXT 3.26Å; F725-R786 WeakPolarHBondContact CD1-OXT 3.42Å; F725-R786 HydrophobicContact CE1-CB 4.4Å; F725-R786 VanDerWaalsContact CE1-O 3.27Å; F725-R786 WeakPolarHBondContact CE1-O 3.33Å; F725-R786 WeakPolarHBondContact CE1-OXT 3.27Å; F725-R786 HydrophobicContact CG-CB 4.5Å
726Q93.9Very high91.7Very high68 Ų6842.8 Ų42.832%0.31822%0.218SC..SBendtrans4557.8-166-59-174.932.800110.7I728 K738 V767Q726-I728 PolarHBondContact O-N 3.09Å; Q726-K738 HydrophobicContact CB-CB 3.82Å; Q726-K738 HydrophobicContact CB-CD 4.45Å; Q726-K738 VanDerWaalsContact O-CB 3.28Å; Q726-K738 WeakPolarHBondContact O-CB 3.34Å; Q726-K738 PolarHBondContact O-N 3.28Å; Q726-V767 HydrophobicContact CB-CG1 4.27Å; Q726-V767 HydrophobicContact CB-CG2 4Å
727P96.1Very high91.9Very high0 Ų039.8 Ų39.80%020%0.203CC..EExtended strand (participates in β ladder)trans-61.2125-168.823.4-33.8000112.5V724 F725 N768 L771 Q772V724-P727 HydrophobicContact CB-CB 4.03Å; V724-P727 HydrophobicContact CG2-CB 3.75Å; V724-P727 HydrophobicContact CG2-CG 4.39Å; F725-P727 VanDerWaalsContact C-N 3.35Å; P727-N768 HydrophobicContact CG-CB 4.45Å; P727-N768 PolarHBondContact O-N 3.17Å; P727-L771 HydrophobicContact CB-CD2 3.66Å; P727-L771 HydrophobicContact CB-CG 4.24Å; P727-L771 HydrophobicContact CG-CB 4Å; P727-L771 HydrophobicContact CG-CD2 3.81Å; P727-L771 HydrophobicContact CG-CG 3.81Å; P727-Q772 HydrophobicContact CG-CB 4.33Å
728I96.6Very high92.1Very high1 Ų142.8 Ų42.81%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-91.3110.1162.2-49.7-54.4000106.9Q726 T730 V736 K738 L741 Y763 M765 S766 V767Q726-I728 PolarHBondContact O-N 3.09Å; I728-T730 PolarHBondContact O-N 3.04Å; I728-V736 PolarHBondContact N-O 2.9Å; I728-V736 PolarHBondContact O-N 2.97Å; I728-V736 VanDerWaalsContact O-N 3.09Å; I728-K738 HydrophobicContact CD1-CB 4.01Å; I728-K738 HydrophobicContact CD1-CG 4.08Å; I728-K738 HydrophobicContact CG1-CB 4.02Å; I728-K738 HydrophobicContact CG1-CG 4.35Å; I728-L741 HydrophobicContact CB-CD2 4.05Å; I728-L741 HydrophobicContact CG1-CD2 4.24Å; I728-L741 HydrophobicContact CG2-CD2 3.76Å; I728-Y763 HydrophobicContact CG2-CE1 4.23Å; I728-M765 HydrophobicContact CD1-CB 4.08Å; I728-M765 WeakPolarHBondContact CD1-O 3.13Å; I728-M765 HydrophobicContact CG1-CB 4.34Å; I728-S766 WeakPolarHBondContact CD1-O 3.26Å; I728-V767 HydrophobicContact CD1-CG2 3.92Å
729T96.3Very high92.2Very high0 Ų042.4 Ų42.40%021%0.212CC..EExtended strand (participates in β ladder)trans-86.5105.4167.4-47.10000108.4K689 N690 H734 N735 N768K689-T729 HydrophobicContact CB-CG2 3.71Å; K689-T729 HydrophobicContact CD-CG2 4.01Å; K689-T729 PolarHBondContact NZ-O 3.45Å; N690-T729 PolarHBondContact ND2-OG1 2.75Å; N690-T729 VanDerWaalsContact ND2-OG1 3.15Å; N690-T729 WeakPolarHBondContact OD1-CG2 3.17Å; T729-H734 WeakPolarHBondContact CA-O 3.26Å; T729-N735 WeakPolarHBondContact CB-OD1 3.36Å; T729-N735 WeakPolarHBondContact CG2-OD1 3.15Å; T729-N735 PolarHBondContact OG1-OD1 3.21Å; T729-N768 PolarHBondContact OG1-ND2 2.92Å
730T93.8Very high92.7Very high3 Ų340.7 Ų40.72%0.01820%0.201CC..  trans-66.7165.7-177.762.40000112.2I728 C732 Q733 H734 L759 Y763I728-T730 PolarHBondContact O-N 3.04Å; T730-C732 VanDerWaalsContact C-N 3.26Å; T730-C732 PolarHBondContact O-N 2.74Å; T730-C732 PolarHBondContact OG1-SG 3.35Å; T730-Q733 WeakPolarHBondContact O-CA 3.13Å; T730-Q733 PolarHBondContact O-N 2.87Å; T730-H734 PolarHBondContact N-O 2.9Å; T730-H734 PolarHBondContact OG1-N 3.48Å; T730-H734 VanDerWaalsContact OG1-N 3.12Å; T730-H734 PolarHBondContact OG1-O 2.69Å; T730-L759 HydrophobicContact CG2-CD1 4.12Å; T730-L759 HydrophobicContact CG2-CD2 4.48Å; T730-Y763 WeakPolarHBondContact CA-OH 3.4Å
731E91.7Very high93.1Very high114 Ų11438.2 Ų38.253%0.53318%0.184SC..THydrogen-bonded Turntrans-64.4-32.1176.369.2-153.7124.900112.7Q733 L759 Y763E731-Q733 PolarHBondContact O-N 3.3Å; E731-Q733 VanDerWaalsContact O-N 3.13Å; E731-L759 HydrophobicContact CG-CD2 4.2Å; E731-L759 WeakPolarHBondContact OE1-CD2 3.37Å; E731-Y763 PolarHBondContact N-OH 2.95Å; E731-Y763 VanDerWaalsContact OE1-CE2 3.24Å; E731-Y763 WeakPolarHBondContact OE1-CE2 3.24Å
732C93Very high93.6Very high29 Ų2934.8 Ų34.820%0.19617%0.168CC..THydrogen-bonded Turntrans-76.718.816961.10000114.1T730 H734 H757T730-C732 VanDerWaalsContact C-N 3.26Å; T730-C732 PolarHBondContact O-N 2.74Å; T730-C732 PolarHBondContact OG1-SG 3.35Å; C732-H734 PolarHBondContact O-CE1 3.24Å; C732-H734 PolarHBondContact O-N 3.32Å; C732-H734 PolarHBondContact O-ND1 3.09Å; C732-H757 HydrophobicContact CB-CB 4.08Å
733Q93Very high93.9Very high95 Ų9539.9 Ų39.944%0.44419%0.185SC..SBendtrans61.430.5170.6-57.5-177.1-13.100115.5T730 E731T730-Q733 WeakPolarHBondContact O-CA 3.13Å; T730-Q733 PolarHBondContact O-N 2.87Å; E731-Q733 PolarHBondContact O-N 3.3Å; E731-Q733 VanDerWaalsContact O-N 3.13Å
734H94.1Very high93.9Very high69 Ų6940.6 Ų40.632%0.31919%0.191SC..  trans-107.9146.7174-68.579.3000111.3T729 T730 C732 A754T729-H734 WeakPolarHBondContact CA-O 3.26Å; T730-H734 PolarHBondContact N-O 2.9Å; T730-H734 PolarHBondContact OG1-N 3.48Å; T730-H734 VanDerWaalsContact OG1-N 3.12Å; T730-H734 PolarHBondContact OG1-O 2.69Å; C732-H734 PolarHBondContact O-CE1 3.24Å; C732-H734 PolarHBondContact O-N 3.32Å; C732-H734 PolarHBondContact O-ND1 3.09Å; H734-A754 HydrophobicContact CB-CB 4.07Å; H734-A754 WeakPolarHBondContact CD2-CB 3.46Å
735N96.5Very high93.8Very high17 Ų1741.7 Ų41.79%0.09120%0.195CC..EExtended strand (participates in β ladder)trans-103.3127.5178.3-64.8-69000111.2N690 L693 V724 T729 L771N690-N735 PolarHBondContact ND2-OD1 3.48Å; N690-N735 PolarHBondContact OD1-ND2 2.89Å; N690-N735 PolarHBondContact OD1-OD1 2.74Å; L693-N735 WeakPolarHBondContact CD1-ND2 3.39Å; V724-N735 HydrophobicContact CG1-CB 4.07Å; V724-N735 HydrophobicContact CG2-CB 4.45Å; T729-N735 WeakPolarHBondContact CB-OD1 3.36Å; T729-N735 WeakPolarHBondContact CG2-OD1 3.15Å; T729-N735 PolarHBondContact OG1-OD1 3.21Å; N735-L771 WeakPolarHBondContact OD1-CD2 3.44Å
736V95.4Very high93.7Very high0 Ų046.2 Ų46.20%021%0.211CC..EExtended strand (participates in β ladder)trans-134.8140.7178.6-172.30000108.2I728 K738 C740 L741 P753I728-V736 PolarHBondContact N-O 2.9Å; I728-V736 PolarHBondContact O-N 2.97Å; I728-V736 VanDerWaalsContact O-N 3.09Å; V736-K738 PolarHBondContact O-N 3.13Å; V736-C740 HydrophobicContact CG1-CB 3.85Å; V736-L741 HydrophobicContact CB-CB 4.48Å; V736-L741 HydrophobicContact CG1-CB 4.04Å; V736-P753 HydrophobicContact CG1-CG 4.49Å
737C95.3Very high93.4Very high9 Ų946.1 Ų46.16%0.06122%0.222CC..EExtended strand (participates in β ladder)trans-59.3138.7171.4-56.40000109.6C717 F725 E739 C740 L741C717-C737 VanDerWaalsContact CB-SG 3.52Å; C717-C737 PolarHBondContact SG-N 2.95Å; C717-C737 VanDerWaalsContact SG-N 3.4Å; F725-C737 PolarHBondContact N-SG 3.08Å; F725-C737 VanDerWaalsContact O-CA 3.23Å; F725-C737 WeakPolarHBondContact O-CA 3.4Å; F725-C737 WeakPolarHBondContact O-CB 3.41Å; C737-E739 VanDerWaalsContact C-N 3.29Å; C737-E739 PolarHBondContact O-N 3.34Å; C737-C740 HydrophobicContact CB-CB 4.15Å; C737-C740 WeakPolarHBondContact O-CB 3.45Å; C737-C740 PolarHBondContact O-N 2.96Å; C737-L741 PolarHBondContact O-N 3.42Å
738K94.6Very high93.2Very high63 Ų6352.5 Ų52.527%0.27425%0.252SS..Hα-helixtrans-49-50179-176.7-166.3172.8-164.80112.1F725 Q726 I728 V736 C740 L741 Q742 V767F725-K738 PolarHBondContact O-N 3.05Å; Q726-K738 HydrophobicContact CB-CB 3.82Å; Q726-K738 HydrophobicContact CB-CD 4.45Å; Q726-K738 VanDerWaalsContact O-CB 3.28Å; Q726-K738 WeakPolarHBondContact O-CB 3.34Å; Q726-K738 PolarHBondContact O-N 3.28Å; I728-K738 HydrophobicContact CD1-CB 4.01Å; I728-K738 HydrophobicContact CD1-CG 4.08Å; I728-K738 HydrophobicContact CG1-CB 4.02Å; I728-K738 HydrophobicContact CG1-CG 4.35Å; V736-K738 PolarHBondContact O-N 3.13Å; K738-C740 VanDerWaalsContact C-N 3.34Å; K738-C740 PolarHBondContact O-N 2.8Å; K738-L741 PolarHBondContact O-N 2.97Å; K738-Q742 HydrophobicContact CG-CG 4.4Å; K738-Q742 WeakPolarHBondContact O-CB 3.23Å; K738-Q742 WeakPolarHBondContact O-CG 3.23Å; K738-Q742 PolarHBondContact O-N 2.63Å; K738-V767 HydrophobicContact CD-CG2 4.08Å
739E93.1Very high92.9Very high88 Ų8855 Ų5541%0.41127%0.267SS..Hα-helixtrans-60.6-39.9177.7-67.5-157.217600113.6C737 L741 Q742 R743C737-E739 VanDerWaalsContact C-N 3.29Å; C737-E739 PolarHBondContact O-N 3.34Å; E739-L741 VanDerWaalsContact C-N 3.32Å; E739-L741 PolarHBondContact O-N 3.38Å; E739-Q742 PolarHBondContact O-N 3.12Å; E739-R743 WeakPolarHBondContact O-CB 3.33Å; E739-R743 WeakPolarHBondContact O-CG 3.43Å; E739-R743 PolarHBondContact O-N 3.06Å; E739-R743 IonicContact OE2-CZ 3.72Å; E739-R743 IonicContact OE2-NE 2.8Å; E739-R743 IonicContact OE2-NH2 3.24Å; E739-R743 PolarHBondContact OE2-NH2 3.01Å
740C93.3Very high92.8Very high22 Ų2257.3 Ų57.315%0.14928%0.276CS..Hα-helixtrans-65.2-38.4179.5-65.50000111.6C719 V736 C737 K738 S744C719-C740 HydrophobicContact CB-CB 3.56Å; V736-C740 HydrophobicContact CG1-CB 3.85Å; C737-C740 HydrophobicContact CB-CB 4.15Å; C737-C740 WeakPolarHBondContact O-CB 3.45Å; C737-C740 PolarHBondContact O-N 2.96Å; K738-C740 VanDerWaalsContact C-N 3.34Å; K738-C740 PolarHBondContact O-N 2.8Å; C740-S744 PolarHBondContact O-N 2.83Å; C740-S744 VanDerWaalsContact O-N 3.09Å
741L93.4Very high92.7Very high0 Ų058.9 Ų58.90%029%0.286CS..Hα-helixtrans-71.5-39.7174.9-167.865.1000111.5I728 V736 C737 K738 E739 R743 S744 F745 P753 L759 M765I728-L741 HydrophobicContact CB-CD2 4.05Å; I728-L741 HydrophobicContact CG1-CD2 4.24Å; I728-L741 HydrophobicContact CG2-CD2 3.76Å; V736-L741 HydrophobicContact CB-CB 4.48Å; V736-L741 HydrophobicContact CG1-CB 4.04Å; C737-L741 PolarHBondContact O-N 3.42Å; K738-L741 PolarHBondContact O-N 2.97Å; E739-L741 VanDerWaalsContact C-N 3.32Å; E739-L741 PolarHBondContact O-N 3.38Å; L741-R743 PolarHBondContact O-N 2.68Å; L741-S744 WeakPolarHBondContact O-CB 3.25Å; L741-S744 PolarHBondContact O-N 3.22Å; L741-F745 HydrophobicContact CD1-CD1 4.29Å; L741-F745 HydrophobicContact CD1-CE1 3.95Å; L741-F745 HydrophobicContact CG-CD1 4.35Å; L741-F745 HydrophobicContact CG-CE1 4.2Å; L741-F745 WeakPolarHBondContact O-CD1 3.36Å; L741-F745 PolarHBondContact O-N 3.47Å; L741-P753 HydrophobicContact CD1-CG 4.15Å; L741-L759 HydrophobicContact CD1-CD1 4.18Å; L741-M765 HydrophobicContact CB-SD 4.25Å; L741-M765 HydrophobicContact CD2-CE 4.18Å; L741-M765 HydrophobicContact CD2-CG 4.07Å; L741-M765 HydrophobicContact CD2-SD 4Å; L741-M765 HydrophobicContact CG-CE 3.87Å; L741-M765 HydrophobicContact CG-SD 4.03Å
742Q93.3Very high92.7Very high70 Ų7053.4 Ų53.433%0.32726%0.261SS..Hα-helixtrans-61.3-41.6172.9-72.6179.9-74.100112.1K738 E739 S744 F745 R746 M765K738-Q742 HydrophobicContact CG-CG 4.4Å; K738-Q742 WeakPolarHBondContact O-CB 3.23Å; K738-Q742 WeakPolarHBondContact O-CG 3.23Å; K738-Q742 PolarHBondContact O-N 2.63Å; E739-Q742 PolarHBondContact O-N 3.12Å; Q742-S744 VanDerWaalsContact C-N 3.34Å; Q742-S744 PolarHBondContact O-N 3.28Å; Q742-F745 PolarHBondContact O-N 3.19Å; Q742-R746 WeakPolarHBondContact O-CB 3.31Å; Q742-R746 WeakPolarHBondContact O-CG 3.35Å; Q742-R746 PolarHBondContact O-N 3.49Å; Q742-M765 HydrophobicContact CB-SD 4.5Å; Q742-M765 HydrophobicContact CG-SD 3.57Å; Q742-M765 VanDerWaalsContact CG-SD 3.57Å
743R91.9Very high92.6Very high153 Ų15353.2 Ų53.258%0.57726%0.259SS*.Hα-helixtrans-64.4-36.7174.6-69.6170.9-159.8-150.89.4111.7E739 L741 A747E739-R743 WeakPolarHBondContact O-CB 3.33Å; E739-R743 WeakPolarHBondContact O-CG 3.43Å; E739-R743 PolarHBondContact O-N 3.06Å; E739-R743 IonicContact OE2-CZ 3.72Å; E739-R743 IonicContact OE2-NE 2.8Å; E739-R743 IonicContact OE2-NH2 3.24Å; E739-R743 PolarHBondContact OE2-NH2 3.01Å; L741-R743 PolarHBondContact O-N 2.68Å; R743-A747 PolarHBondContact O-N 3.32Å
744S90.6Very high92.3Very high20 Ų2050.8 Ų50.814%0.1426%0.255CS..Hα-helixtrans-61.6-46.4171.8-167.70000111.7C740 L741 Q742 A747 E748 V749C740-S744 PolarHBondContact O-N 2.83Å; C740-S744 VanDerWaalsContact O-N 3.09Å; L741-S744 WeakPolarHBondContact O-CB 3.25Å; L741-S744 PolarHBondContact O-N 3.22Å; Q742-S744 VanDerWaalsContact C-N 3.34Å; Q742-S744 PolarHBondContact O-N 3.28Å; S744-A747 CarbonylContact O-C 3.58Å; S744-A747 PolarHBondContact O-N 2.65Å; S744-E748 PolarHBondContact O-N 2.96Å; S744-V749 CarbonylContact C-O 3.53Å; S744-V749 WeakPolarHBondContact O-CA 3.24Å; S744-V749 PolarHBondContact O-N 3.29Å; S744-V749 PolarHBondContact OG-O 2.91Å
745F91.1Very high92.1Very high23 Ų2350.1 Ų50.110%0.10126%0.257CS..Hα-helixtrans-71.4-36.4179.8-83.948.1000112.6L741 Q742 A747 E748 Y750 L759 G760 Y763 M765L741-F745 HydrophobicContact CD1-CD1 4.29Å; L741-F745 HydrophobicContact CD1-CE1 3.95Å; L741-F745 HydrophobicContact CG-CD1 4.35Å; L741-F745 HydrophobicContact CG-CE1 4.2Å; L741-F745 WeakPolarHBondContact O-CD1 3.36Å; L741-F745 PolarHBondContact O-N 3.47Å; Q742-F745 PolarHBondContact O-N 3.19Å; F745-A747 PolarHBondContact O-N 2.62Å; F745-E748 WeakPolarHBondContact O-CA 3.49Å; F745-E748 PolarHBondContact O-N 2.75Å; F745-Y750 HydrophobicContact CB-CD1 4.48Å; F745-Y750 AromaticContact CD2-CD1 3.63Å; F745-Y750 HydrophobicContact CD2-CD1 3.63Å; F745-Y750 HydrophobicContact CD2-CE1 4.17Å; F745-Y750 AromaticContact CE2-CD1 3.9Å; F745-Y750 HydrophobicContact CE2-CD1 3.9Å; F745-Y750 AromaticContact CG-CD1 3.97Å; F745-Y750 HydrophobicContact CG-CD1 3.97Å; F745-Y750 HydrophobicContact CG-CE1 4.48Å; F745-Y750 HydrophobicContact CZ-CD1 4.46Å; F745-L759 HydrophobicContact CE1-CD1 4.26Å; F745-L759 HydrophobicContact CZ-CB 4.04Å; F745-L759 HydrophobicContact CZ-CD1 4.32Å; F745-G760 WeakPolarHBondContact CE2-O 3.33Å; F745-Y763 HydrophobicContact CZ-CG 4.47Å; F745-M765 HydrophobicContact CB-CE 3.89Å; F745-M765 HydrophobicContact CD1-CE 3.63Å; F745-M765 HydrophobicContact CD2-CE 3.35Å; F745-M765 HydrophobicContact CE1-CE 3.95Å; F745-M765 HydrophobicContact CE2-CE 3.69Å; F745-M765 HydrophobicContact CG-CE 3.33Å; F745-M765 HydrophobicContact CZ-CE 3.98Å
746R90.3Very high91.9Very high126 Ų12657.3 Ų57.348%0.47528%0.283SS..Hα-helixtrans-59.1-28.8170.2-79.4-179.9174.7173.51.1112A275 D277 Q742 E748A275-R746 VanDerWaalsContact O-CZ 3.24Å; A275-R746 PolarHBondContact O-NH2 3.26Å; D277-R746 IonicContact OD1-CZ 3.56Å; D277-R746 IonicContact OD1-NH1 2.68Å; D277-R746 PolarHBondContact OD1-NH1 3.1Å; D277-R746 VanDerWaalsContact OD1-NH1 3.11Å; D277-R746 IonicContact OD1-NH2 3.25Å; D277-R746 PolarHBondContact OD1-NH2 3.07Å; D277-R746 IonicContact OD2-CZ 3.17Å; D277-R746 IonicContact OD2-NH1 2.68Å; D277-R746 PolarHBondContact OD2-NH1 2.88Å; D277-R746 IonicContact OD2-NH2 3.29Å; Q742-R746 WeakPolarHBondContact O-CB 3.31Å; Q742-R746 WeakPolarHBondContact O-CG 3.35Å; Q742-R746 PolarHBondContact O-N 3.49Å; R746-E748 VanDerWaalsContact C-N 3.31Å
747A88.9Confident91.7Very high66 Ų6661.8 Ų61.855%0.54530%0.304SS..THydrogen-bonded Turntrans-92.519.3174.200000113.4R743 S744 F745 V749R743-A747 PolarHBondContact O-N 3.32Å; S744-A747 CarbonylContact O-C 3.58Å; S744-A747 PolarHBondContact O-N 2.65Å; F745-A747 PolarHBondContact O-N 2.62Å; A747-V749 PolarHBondContact O-N 3.33Å; A747-V749 VanDerWaalsContact O-N 3.09Å
748E90.6Very high91.6Very high134 Ų13466.3 Ų66.363%0.62633%0.328SS*.THydrogen-bonded Turntrans5915.2-178.1-51.9-155.799.400115.9S744 F745 R746 Y750S744-E748 PolarHBondContact O-N 2.96Å; F745-E748 WeakPolarHBondContact O-CA 3.49Å; F745-E748 PolarHBondContact O-N 2.75Å; R746-E748 VanDerWaalsContact C-N 3.31Å; E748-Y750 HydrophobicContact CB-CE2 3.85Å; E748-Y750 WeakPolarHBondContact O-CD2 3.47Å; E748-Y750 WeakPolarHBondContact O-CE2 3.34Å; E748-Y750 PolarHBondContact O-N 2.91Å
749V90.6Very high91.5Very high54 Ų5464 Ų6433%0.32732%0.319SS..  trans-93.884.1175.5-175.60000109.4S744 A747 T751S744-V749 CarbonylContact C-O 3.53Å; S744-V749 WeakPolarHBondContact O-CA 3.24Å; S744-V749 PolarHBondContact O-N 3.29Å; S744-V749 PolarHBondContact OG-O 2.91Å; A747-V749 PolarHBondContact O-N 3.33Å; A747-V749 VanDerWaalsContact O-N 3.09Å; V749-T751 WeakPolarHBondContact CG1-OG1 3.29Å; V749-T751 PolarHBondContact O-N 2.9Å; V749-T751 VanDerWaalsContact O-N 3.14Å
750Y94Very high91.4Very high48 Ų4861 Ų6119%0.18831%0.311CS..  trans-7614.2179.9-50.4-75.2000114.5F745 E748 L759 K761F745-Y750 HydrophobicContact CB-CD1 4.48Å; F745-Y750 AromaticContact CD2-CD1 3.63Å; F745-Y750 HydrophobicContact CD2-CD1 3.63Å; F745-Y750 HydrophobicContact CD2-CE1 4.17Å; F745-Y750 AromaticContact CE2-CD1 3.9Å; F745-Y750 HydrophobicContact CE2-CD1 3.9Å; F745-Y750 AromaticContact CG-CD1 3.97Å; F745-Y750 HydrophobicContact CG-CD1 3.97Å; F745-Y750 HydrophobicContact CG-CE1 4.48Å; F745-Y750 HydrophobicContact CZ-CD1 4.46Å; E748-Y750 HydrophobicContact CB-CE2 3.85Å; E748-Y750 WeakPolarHBondContact O-CD2 3.47Å; E748-Y750 WeakPolarHBondContact O-CE2 3.34Å; E748-Y750 PolarHBondContact O-N 2.91Å; Y750-L759 WeakPolarHBondContact O-CB 3.33Å; Y750-L759 PolarHBondContact O-N 3.21Å; Y750-K761 HydrophobicContact CD1-CB 4.08Å; Y750-K761 HydrophobicContact CD1-CG 3.91Å; Y750-K761 HydrophobicContact CD2-CD 4.33Å; Y750-K761 HydrophobicContact CD2-CG 3.86Å; Y750-K761 HydrophobicContact CE1-CB 3.99Å; Y750-K761 HydrophobicContact CE1-CD 4.24Å; Y750-K761 HydrophobicContact CE1-CG 3.84Å; Y750-K761 HydrophobicContact CE2-CD 3.81Å; Y750-K761 VanDerWaalsContact CE2-CE 3.47Å; Y750-K761 HydrophobicContact CE2-CG 3.82Å; Y750-K761 HydrophobicContact CG-CG 3.91Å
751T92.7Very high91.1Very high36 Ų3666.5 Ų66.522%0.22133%0.332CS..BIsolated β-bridgetrans-102.1150.6179.661.50000111.4V749 P753 H757V749-T751 WeakPolarHBondContact CG1-OG1 3.29Å; V749-T751 PolarHBondContact O-N 2.9Å; V749-T751 VanDerWaalsContact O-N 3.14Å; T751-P753 VanDerWaalsContact O-CD 3.26Å; T751-P753 WeakPolarHBondContact O-CD 3.15Å; T751-H757 CarbonylContact C-O 3.5Å; T751-H757 VanDerWaalsContact CA-O 3.31Å; T751-H757 WeakPolarHBondContact CA-O 3.04Å
752C90.7Very high90.8Very high0 Ų074.3 Ų74.30%037%0.374CS..  trans-56.3118.8172.5176.30000110.6A754 C755 R756 H757 L759C752-A754 PolarHBondContact O-N 2.84Å; C752-C755 PolarHBondContact O-N 3.23Å; C752-C755 VanDerWaalsContact SG-SG 3.68Å; C752-R756 WeakPolarHBondContact O-CA 3.5Å; C752-R756 PolarHBondContact O-N 3.12Å; C752-H757 HydrophobicContact CB-CB 4.4Å; C752-H757 PolarHBondContact N-O 2.83Å; C752-L759 HydrophobicContact CB-CD1 4.17Å; C752-L759 HydrophobicContact CB-CD2 4.46Å; C752-L759 HydrophobicContact CB-CG 4.35Å
753P90.3Very high90.8Very high24 Ų2473.1 Ų73.116%0.15637%0.367CS..THydrogen-bonded Turntrans-59.1-23.3-176.6-29.136.7000115.2I718 C719 V736 L741 T751I718-P753 HydrophobicContact CG2-CB 3.89Å; C719-P753 VanDerWaalsContact SG-CB 3.57Å; V736-P753 HydrophobicContact CG1-CG 4.49Å; L741-P753 HydrophobicContact CD1-CG 4.15Å; T751-P753 VanDerWaalsContact O-CD 3.26Å; T751-P753 WeakPolarHBondContact O-CD 3.15Å
754A87.5Confident90.6Very high44 Ų4470.1 Ų70.136%0.36437%0.369SS..THydrogen-bonded Turntrans-84.7-42.6-178.600000113.7I718 H734 C752I718-A754 HydrophobicContact CB-CB 4.46Å; I718-A754 HydrophobicContact CG2-CB 4.04Å; H734-A754 HydrophobicContact CB-CB 4.07Å; H734-A754 WeakPolarHBondContact CD2-CB 3.46Å; C752-A754 PolarHBondContact O-N 2.84Å
755C90.1Very high90.7Very high55 Ų5571.2 Ų71.237%0.37237%0.373SS..THydrogen-bonded Turntrans-126.71.9-17073.70000114.9C752 H757C752-C755 PolarHBondContact O-N 3.23Å; C752-C755 VanDerWaalsContact SG-SG 3.68Å; C755-H757 PolarHBondContact O-N 3.28Å
756R91.6Very high90.8Very high168 Ų16873 Ų7363%0.63439%0.389SS*.  trans57.815.1179.9-54-58.5-175.2148.91.1116.3C752 D758C752-R756 WeakPolarHBondContact O-CA 3.5Å; C752-R756 PolarHBondContact O-N 3.12Å; R756-D758 PolarHBondContact O-N 3.31Å
757H91.6Very high91.1Very high94 Ų9469.4 Ų69.444%0.43538%0.38SS..  trans-59.8134.3166-17171000109.4C732 T751 C752 C755C732-H757 HydrophobicContact CB-CB 4.08Å; T751-H757 CarbonylContact C-O 3.5Å; T751-H757 VanDerWaalsContact CA-O 3.31Å; T751-H757 WeakPolarHBondContact CA-O 3.04Å; C752-H757 HydrophobicContact CB-CB 4.4Å; C752-H757 PolarHBondContact N-O 2.83Å; C755-H757 PolarHBondContact O-N 3.28Å
758D93.6Very high91.4Very high105 Ų10566.9 Ų66.956%0.56136%0.358SS*.BIsolated β-bridgetrans-68.1139.4174.1-170.412.4000110.2R756 G760R756-D758 PolarHBondContact O-N 3.31Å; D758-G760 PolarHBondContact OD1-N 2.87Å
759L92.6Very high91.6Very high15 Ų1567.8 Ų67.88%0.07936%0.359CS..  trans-115.1-10.6176.3-57.8174000111.1T730 E731 L741 F745 Y750 C752 Y763T730-L759 HydrophobicContact CG2-CD1 4.12Å; T730-L759 HydrophobicContact CG2-CD2 4.48Å; E731-L759 HydrophobicContact CG-CD2 4.2Å; E731-L759 WeakPolarHBondContact OE1-CD2 3.37Å; L741-L759 HydrophobicContact CD1-CD1 4.18Å; F745-L759 HydrophobicContact CE1-CD1 4.26Å; F745-L759 HydrophobicContact CZ-CB 4.04Å; F745-L759 HydrophobicContact CZ-CD1 4.32Å; Y750-L759 WeakPolarHBondContact O-CB 3.33Å; Y750-L759 PolarHBondContact O-N 3.21Å; C752-L759 HydrophobicContact CB-CD1 4.17Å; C752-L759 HydrophobicContact CB-CD2 4.46Å; C752-L759 HydrophobicContact CB-CG 4.35Å; L759-Y763 HydrophobicContact CB-CD2 3.76Å; L759-Y763 HydrophobicContact CB-CE2 4.35Å; L759-Y763 HydrophobicContact CB-CG 3.89Å; L759-Y763 HydrophobicContact CD2-CD2 4.38Å; L759-Y763 HydrophobicContact CD2-CE2 4.12Å; L759-Y763 WeakPolarHBondContact O-CB 3.19Å; L759-Y763 WeakPolarHBondContact O-CD2 3.45Å
760G90.8Very high91.8Very high25 Ų2567.5 Ų67.526%0.25836%0.356SS..  trans74156-177.500000114.6F745 D758 N762 Y763F745-G760 WeakPolarHBondContact CE2-O 3.33Å; D758-G760 PolarHBondContact OD1-N 2.87Å; G760-N762 PolarHBondContact O-N 3.17Å; G760-N762 VanDerWaalsContact O-N 3.16Å; G760-Y763 PolarHBondContact O-N 2.58Å
761K87.4Confident91.8Very high137 Ų13765.2 Ų65.260%0.59635%0.347SS*.THydrogen-bonded Turntrans-59.7-29.2-176.5-57.3-158.1177.5-167.10113.9Y750Y750-K761 HydrophobicContact CD1-CB 4.08Å; Y750-K761 HydrophobicContact CD1-CG 3.91Å; Y750-K761 HydrophobicContact CD2-CD 4.33Å; Y750-K761 HydrophobicContact CD2-CG 3.86Å; Y750-K761 HydrophobicContact CE1-CB 3.99Å; Y750-K761 HydrophobicContact CE1-CD 4.24Å; Y750-K761 HydrophobicContact CE1-CG 3.84Å; Y750-K761 HydrophobicContact CE2-CD 3.81Å; Y750-K761 VanDerWaalsContact CE2-CE 3.47Å; Y750-K761 HydrophobicContact CE2-CG 3.82Å; Y750-K761 HydrophobicContact CG-CG 3.91Å
762N87.7Confident91.9Very high164 Ų16464.6 Ų64.688%0.87734%0.342SS*.THydrogen-bonded Turntrans-99.323.5-174.2-61.9-14.6000113.6G760 S764G760-N762 PolarHBondContact O-N 3.17Å; G760-N762 VanDerWaalsContact O-N 3.16Å; N762-S764 PolarHBondContact O-N 2.83Å
763Y91.4Very high92Very high44 Ų4468.2 Ų68.217%0.17336%0.361CS..  trans-61.4128.4-175.6-167.4-103.3000113.7I728 T730 E731 F745 L759 G760 M765I728-Y763 HydrophobicContact CG2-CE1 4.23Å; T730-Y763 WeakPolarHBondContact CA-OH 3.4Å; E731-Y763 PolarHBondContact N-OH 2.95Å; E731-Y763 VanDerWaalsContact OE1-CE2 3.24Å; E731-Y763 WeakPolarHBondContact OE1-CE2 3.24Å; F745-Y763 HydrophobicContact CZ-CG 4.47Å; L759-Y763 HydrophobicContact CB-CD2 3.76Å; L759-Y763 HydrophobicContact CB-CE2 4.35Å; L759-Y763 HydrophobicContact CB-CG 3.89Å; L759-Y763 HydrophobicContact CD2-CD2 4.38Å; L759-Y763 HydrophobicContact CD2-CE2 4.12Å; L759-Y763 WeakPolarHBondContact O-CB 3.19Å; L759-Y763 WeakPolarHBondContact O-CD2 3.45Å; G760-Y763 PolarHBondContact O-N 2.58Å; Y763-M765 HydrophobicContact CD1-CG 4.22Å; Y763-M765 PolarHBondContact O-N 3.03Å; Y763-M765 VanDerWaalsContact O-N 3.13Å
764S89.6Confident92.2Very high90 Ų9067.1 Ų67.163%0.62935%0.354SS*.  trans-79.296.8179.6-176.50000111.9N762 S766N762-S764 PolarHBondContact O-N 2.83Å; S764-S766 PolarHBondContact O-N 3.18Å
765M92.1Very high92.5Very high44 Ų4465 Ų6522%0.21734%0.336CS..  trans-73.263.2178.5-58.4-168.5-168.900113I728 L741 Q742 F745 Y763I728-M765 HydrophobicContact CD1-CB 4.08Å; I728-M765 WeakPolarHBondContact CD1-O 3.13Å; I728-M765 HydrophobicContact CG1-CB 4.34Å; L741-M765 HydrophobicContact CB-SD 4.25Å; L741-M765 HydrophobicContact CD2-CE 4.18Å; L741-M765 HydrophobicContact CD2-CG 4.07Å; L741-M765 HydrophobicContact CD2-SD 4Å; L741-M765 HydrophobicContact CG-CE 3.87Å; L741-M765 HydrophobicContact CG-SD 4.03Å; Q742-M765 HydrophobicContact CB-SD 4.5Å; Q742-M765 HydrophobicContact CG-SD 3.57Å; Q742-M765 VanDerWaalsContact CG-SD 3.57Å; F745-M765 HydrophobicContact CB-CE 3.89Å; F745-M765 HydrophobicContact CD1-CE 3.63Å; F745-M765 HydrophobicContact CD2-CE 3.35Å; F745-M765 HydrophobicContact CE1-CE 3.95Å; F745-M765 HydrophobicContact CE2-CE 3.69Å; F745-M765 HydrophobicContact CG-CE 3.33Å; F745-M765 HydrophobicContact CZ-CE 3.98Å; Y763-M765 HydrophobicContact CD1-CG 4.22Å; Y763-M765 PolarHBondContact O-N 3.03Å; Y763-M765 VanDerWaalsContact O-N 3.13Å
766S93.5Very high92.5Very high61 Ų6164.3 Ų64.343%0.42733%0.332SS..  trans-74122.9173.855.80000111.9I728 S764 N768I728-S766 WeakPolarHBondContact CD1-O 3.26Å; S764-S766 PolarHBondContact O-N 3.18Å; S766-N768 PolarHBondContact O-N 3.4Å
767V95.9Very high92.4Very high49 Ų4959.2 Ų59.230%0.29732%0.316SS..  trans-69.3128.2175.7176.50000110.3Q726 I728 K738 K769Q726-V767 HydrophobicContact CB-CG1 4.27Å; Q726-V767 HydrophobicContact CB-CG2 4Å; I728-V767 HydrophobicContact CD1-CG2 3.92Å; K738-V767 HydrophobicContact CD-CG2 4.08Å; V767-K769 PolarHBondContact O-N 3.23Å; V767-K769 VanDerWaalsContact O-N 3.14Å
768N95.7Very high92.3Very high14 Ų1455 Ų558%0.07530%0.296CS..  trans-73.599171.5-174.2-18.1000109.2D687 N690 P727 T729 S766 D770 L771 Q772D687-N768 PolarHBondContact OD1-ND2 2.94Å; N690-N768 PolarHBondContact ND2-ND2 3.27Å; N690-N768 VanDerWaalsContact ND2-ND2 3.16Å; P727-N768 HydrophobicContact CG-CB 4.45Å; P727-N768 PolarHBondContact O-N 3.17Å; T729-N768 PolarHBondContact OG1-ND2 2.92Å; S766-N768 PolarHBondContact O-N 3.4Å; N768-D770 PolarHBondContact OD1-N 3.17Å; N768-L771 HydrophobicContact CB-CB 4.07Å; N768-L771 PolarHBondContact OD1-N 3.42Å; N768-L771 VanDerWaalsContact OD1-N 3.12Å; N768-Q772 PolarHBondContact O-N 3.32Å
769K94.4Very high92.1Very high152 Ų15250 Ų5066%0.66127%0.27SS*.Hα-helixtrans-67.6-46.2-177.6-67.8-173.3177.8-176.70112.1V767 L771 Q772 D773V767-K769 PolarHBondContact O-N 3.23Å; V767-K769 VanDerWaalsContact O-N 3.14Å; K769-L771 PolarHBondContact O-N 2.88Å; K769-Q772 CarbonylContact O-C 3.49Å; K769-Q772 WeakPolarHBondContact O-CA 3.3Å; K769-Q772 WeakPolarHBondContact O-CB 3.49Å; K769-Q772 PolarHBondContact O-N 2.96Å; K769-D773 WeakPolarHBondContact O-CB 3.47Å; K769-D773 VanDerWaalsContact O-CG 3.23Å; K769-D773 PolarHBondContact O-N 2.94Å
770D93.8Very high91.6Very high48 Ų4853 Ų5326%0.25729%0.29SS..Hα-helixtrans-57.2-39.1179.2-60-88.1000111.8N686 D687 N768 I774N686-D770 HydrophobicContact CB-CB 4.12Å; N686-D770 WeakPolarHBondContact CB-OD1 3.15Å; N686-D770 PolarHBondContact ND2-OD1 3.23Å; N686-D770 VanDerWaalsContact ND2-OD1 3.14Å; D687-D770 HydrophobicContact CB-CB 4.04Å; N768-D770 PolarHBondContact OD1-N 3.17Å; D770-I774 WeakPolarHBondContact O-CG2 3.49Å; D770-I774 PolarHBondContact O-N 3.12Å; D770-I774 VanDerWaalsContact O-N 3.13Å
771L95.4Very high90.9Very high0 Ų052.6 Ų52.60%029%0.286CS..Hα-helixtrans-69-42.2172.4-176.957.1000113.1D687 N690 W694 F715 V724 P727 N735 N768 K769 D773 I774 L775D687-L771 WeakPolarHBondContact OD2-CB 3.3Å; N690-L771 WeakPolarHBondContact ND2-CD2 3.42Å; W694-L771 HydrophobicContact CZ2-CD1 3.64Å; F715-L771 HydrophobicContact CD1-CD1 3.78Å; F715-L771 HydrophobicContact CD1-CD2 3.95Å; F715-L771 HydrophobicContact CE1-CD1 3.6Å; F715-L771 HydrophobicContact CE1-CD2 3.99Å; F715-L771 HydrophobicContact CE1-CG 4.49Å; F715-L771 HydrophobicContact CE2-CD1 4.5Å; F715-L771 HydrophobicContact CG-CD1 4.31Å; F715-L771 HydrophobicContact CZ-CD1 3.99Å; V724-L771 HydrophobicContact CG2-CD2 4.26Å; P727-L771 HydrophobicContact CB-CD2 3.66Å; P727-L771 HydrophobicContact CB-CG 4.24Å; P727-L771 HydrophobicContact CG-CB 4Å; P727-L771 HydrophobicContact CG-CD2 3.81Å; P727-L771 HydrophobicContact CG-CG 3.81Å; N735-L771 WeakPolarHBondContact OD1-CD2 3.44Å; N768-L771 HydrophobicContact CB-CB 4.07Å; N768-L771 PolarHBondContact OD1-N 3.42Å; N768-L771 VanDerWaalsContact OD1-N 3.12Å; K769-L771 PolarHBondContact O-N 2.88Å; L771-D773 VanDerWaalsContact C-N 3.33Å; L771-D773 PolarHBondContact O-N 2.77Å; L771-I774 HydrophobicContact CD1-CG2 4.19Å; L771-I774 VanDerWaalsContact O-CG2 3.31Å; L771-I774 WeakPolarHBondContact O-CG2 3.23Å; L771-L775 HydrophobicContact CD1-CD1 3.74Å; L771-L775 HydrophobicContact CD1-CG 3.9Å; L771-L775 HydrophobicContact CG-CD1 3.87Å; L771-L775 HydrophobicContact CG-CG 4.42Å; L771-L775 WeakPolarHBondContact O-CB 3.45Å; L771-L775 VanDerWaalsContact O-CG 3.23Å; L771-L775 WeakPolarHBondContact O-CG 3.35Å; L771-L775 PolarHBondContact O-N 2.95Å; L771-L775 VanDerWaalsContact O-N 3.1Å
772Q94.3Very high90.7Very high24 Ų2446.2 Ų46.211%0.11226%0.258CS..Hα-helixtrans-61.1-43176.1-178.855.260.200111.4P727 N768 K769 S776 Y782P727-Q772 HydrophobicContact CG-CB 4.33Å; N768-Q772 PolarHBondContact O-N 3.32Å; K769-Q772 CarbonylContact O-C 3.49Å; K769-Q772 WeakPolarHBondContact O-CA 3.3Å; K769-Q772 WeakPolarHBondContact O-CB 3.49Å; K769-Q772 PolarHBondContact O-N 2.96Å; Q772-S776 PolarHBondContact NE2-OG 3.35Å; Q772-S776 VanDerWaalsContact NE2-OG 3.07Å; Q772-S776 WeakPolarHBondContact O-CB 2.99Å; Q772-S776 PolarHBondContact O-N 3.22Å; Q772-S776 PolarHBondContact O-OG 3.01Å; Q772-Y782 PolarHBondContact NE2-OH 2.79Å; Q772-Y782 PolarHBondContact OE1-OH 3.38Å
773D93.1Very high90.2Very high76 Ų7640.6 Ų40.641%0.40623%0.232SC..Hα-helixtrans-72.1-44.2-174.4-65.5-23.9000110.9L683 K769 L771 S776 Q777L683-D773 HydrophobicContact CD1-CB 4.15Å; L683-D773 HydrophobicContact CD2-CB 4.19Å; K769-D773 WeakPolarHBondContact O-CB 3.47Å; K769-D773 VanDerWaalsContact O-CG 3.23Å; K769-D773 PolarHBondContact O-N 2.94Å; L771-D773 VanDerWaalsContact C-N 3.33Å; L771-D773 PolarHBondContact O-N 2.77Å; D773-S776 WeakPolarHBondContact O-CB 2.85Å; D773-S776 PolarHBondContact O-N 3.45Å; D773-Q777 WeakPolarHBondContact O-CG 3.4Å; D773-Q777 PolarHBondContact O-N 2.9Å
774I94.4Very high89.2Confident0 Ų042.4 Ų42.40%024%0.244CC..Hα-helixtrans-64.1-42.3174.3-175.963.5000112.3Q680 L683 I684 W694 D770 L771 S776 Q777 L778Q680-I774 HydrophobicContact CB-CD1 3.65Å; Q680-I774 HydrophobicContact CG-CD1 3.78Å; L683-I774 HydrophobicContact CB-CB 3.93Å; L683-I774 HydrophobicContact CB-CD1 4.41Å; L683-I774 HydrophobicContact CD1-CB 4.34Å; I684-I774 HydrophobicContact CD1-CD1 4.06Å; I684-I774 HydrophobicContact CD1-CG1 4.25Å; I684-I774 HydrophobicContact CG1-CD1 3.9Å; I684-I774 HydrophobicContact CG1-CG1 3.74Å; W694-I774 HydrophobicContact CH2-CG1 3.84Å; W694-I774 HydrophobicContact CH2-CG2 3.86Å; W694-I774 HydrophobicContact CZ2-CB 4.46Å; W694-I774 HydrophobicContact CZ2-CG1 4.15Å; W694-I774 HydrophobicContact CZ2-CG2 3.41Å; W694-I774 VanDerWaalsContact CZ2-CG2 3.41Å; D770-I774 WeakPolarHBondContact O-CG2 3.49Å; D770-I774 PolarHBondContact O-N 3.12Å; D770-I774 VanDerWaalsContact O-N 3.13Å; L771-I774 HydrophobicContact CD1-CG2 4.19Å; L771-I774 VanDerWaalsContact O-CG2 3.31Å; L771-I774 WeakPolarHBondContact O-CG2 3.23Å; I774-S776 VanDerWaalsContact C-N 3.28Å; I774-S776 PolarHBondContact O-N 2.81Å; I774-Q777 PolarHBondContact O-N 3.38Å; I774-Q777 VanDerWaalsContact O-N 3.14Å; I774-L778 HydrophobicContact CD1-CD1 4.03Å; I774-L778 HydrophobicContact CD1-CD2 4.46Å; I774-L778 HydrophobicContact CD1-CG 3.97Å; I774-L778 HydrophobicContact CG1-CD1 3.76Å; I774-L778 HydrophobicContact CG1-CG 4.12Å; I774-L778 WeakPolarHBondContact O-CB 3.45Å; I774-L778 WeakPolarHBondContact O-CG 3.41Å; I774-L778 PolarHBondContact O-N 2.75Å
775L92.7Very high87.8Confident0 Ų042 Ų420%026%0.255CS..Hα-helixtrans-64.3-36.1176.6-70173.9000111.1V711 F715 V723 V724 L771 Q777 L778 F779 Y782V711-L775 HydrophobicContact CG1-CD2 3.95Å; F715-L775 HydrophobicContact CB-CD1 4.42Å; F715-L775 HydrophobicContact CB-CD2 4.28Å; F715-L775 HydrophobicContact CD2-CD2 4.44Å; F715-L775 HydrophobicContact CG-CD2 4.47Å; V723-L775 HydrophobicContact CG1-CD1 4.16Å; V723-L775 HydrophobicContact CG1-CD2 4Å; V724-L775 HydrophobicContact CG2-CD1 3.61Å; L771-L775 HydrophobicContact CD1-CD1 3.74Å; L771-L775 HydrophobicContact CD1-CG 3.9Å; L771-L775 HydrophobicContact CG-CD1 3.87Å; L771-L775 HydrophobicContact CG-CG 4.42Å; L771-L775 WeakPolarHBondContact O-CB 3.45Å; L771-L775 VanDerWaalsContact O-CG 3.23Å; L771-L775 WeakPolarHBondContact O-CG 3.35Å; L771-L775 PolarHBondContact O-N 2.95Å; L771-L775 VanDerWaalsContact O-N 3.1Å; L775-Q777 VanDerWaalsContact C-N 3.32Å; L775-Q777 PolarHBondContact O-N 3.23Å; L775-L778 PolarHBondContact O-N 3.48Å; L775-F779 HydrophobicContact CD2-CD2 4.1Å; L775-F779 HydrophobicContact CD2-CE2 3.81Å; L775-F779 WeakPolarHBondContact O-CB 3.37Å; L775-F779 WeakPolarHBondContact O-CD2 3.14Å; L775-F779 PolarHBondContact O-N 3.26Å; L775-Y782 HydrophobicContact CB-CE1 4.15Å; L775-Y782 HydrophobicContact CB-CE2 4.22Å; L775-Y782 WeakPolarHBondContact CB-OH 3.44Å
776S90.6Very high86.5Confident41 Ų4143.9 Ų43.929%0.28726%0.259SS..Hα-helixtrans-64.7-34.1173.7-540000112.7Q772 D773 I774Q772-S776 PolarHBondContact NE2-OG 3.35Å; Q772-S776 VanDerWaalsContact NE2-OG 3.07Å; Q772-S776 WeakPolarHBondContact O-CB 2.99Å; Q772-S776 PolarHBondContact O-N 3.22Å; Q772-S776 PolarHBondContact O-OG 3.01Å; D773-S776 WeakPolarHBondContact O-CB 2.85Å; D773-S776 PolarHBondContact O-N 3.45Å; I774-S776 VanDerWaalsContact C-N 3.28Å; I774-S776 PolarHBondContact O-N 2.81Å
777Q89.6Confident86.2Confident60 Ų6043 Ų4328%0.2825%0.251SS..Hα-helixtrans-78.7-30.8175.3-68.3-17213.600113.9E679 Q680 D773 I774 L775E679-Q777 PolarHBondContact OE1-NE2 3.41Å; Q680-Q777 HydrophobicContact CG-CB 4.29Å; Q680-Q777 VanDerWaalsContact CG-OE1 3.31Å; D773-Q777 WeakPolarHBondContact O-CG 3.4Å; D773-Q777 PolarHBondContact O-N 2.9Å; I774-Q777 PolarHBondContact O-N 3.38Å; I774-Q777 VanDerWaalsContact O-N 3.14Å; L775-Q777 VanDerWaalsContact C-N 3.32Å; L775-Q777 PolarHBondContact O-N 3.23Å
778L89.3Confident85.7Confident5 Ų542.7 Ų42.73%0.02625%0.248CC..Hα-helixtrans-83.1-29.6177.6-67178.1000112.4L676 W694 F707 L708 V711 I774 L775L676-L778 HydrophobicContact CD2-CD2 3.88Å; W694-L778 HydrophobicContact CH2-CD1 4.1Å; W694-L778 HydrophobicContact CZ3-CD1 4.31Å; F707-L778 HydrophobicContact CE1-CD2 4.38Å; L708-L778 HydrophobicContact CD2-CB 3.83Å; L708-L778 HydrophobicContact CD2-CD2 3.9Å; L708-L778 HydrophobicContact CD2-CG 4.31Å; V711-L778 HydrophobicContact CG1-CD1 3.96Å; V711-L778 HydrophobicContact CG2-CD1 4.4Å; I774-L778 HydrophobicContact CD1-CD1 4.03Å; I774-L778 HydrophobicContact CD1-CD2 4.46Å; I774-L778 HydrophobicContact CD1-CG 3.97Å; I774-L778 HydrophobicContact CG1-CD1 3.76Å; I774-L778 HydrophobicContact CG1-CG 4.12Å; I774-L778 WeakPolarHBondContact O-CB 3.45Å; I774-L778 WeakPolarHBondContact O-CG 3.41Å; I774-L778 PolarHBondContact O-N 2.75Å; L775-L778 PolarHBondContact O-N 3.48Å
779F89Confident85.1Confident1 Ų144.3 Ų44.30%0.00426%0.258CS..SBendtrans-12769.5178.5-50.6-80.3000112.4I428 P438 L708 V711 E712 V723 L775 G781 Y782I428-F779 HydrophobicContact CG2-CB 4.18Å; I428-F779 HydrophobicContact CG2-CD1 3.89Å; I428-F779 HydrophobicContact CG2-CG 4.39Å; P438-F779 HydrophobicContact CB-CB 4.33Å; P438-F779 HydrophobicContact CB-CD1 4.17Å; L708-F779 HydrophobicContact CB-CE1 4.22Å; L708-F779 HydrophobicContact CD2-CE1 4.45Å; L708-F779 HydrophobicContact CD2-CZ 4.45Å; L708-F779 WeakPolarHBondContact O-CZ 3.43Å; V711-F779 HydrophobicContact CB-CE2 4.4Å; V711-F779 HydrophobicContact CB-CZ 4.15Å; V711-F779 HydrophobicContact CG1-CE2 3.83Å; V711-F779 HydrophobicContact CG1-CZ 4.09Å; E712-F779 HydrophobicContact CB-CE1 4.23Å; E712-F779 HydrophobicContact CB-CZ 4.02Å; V723-F779 HydrophobicContact CG1-CD2 4.42Å; V723-F779 HydrophobicContact CG1-CE2 4.39Å; L775-F779 HydrophobicContact CD2-CD2 4.1Å; L775-F779 HydrophobicContact CD2-CE2 3.81Å; L775-F779 WeakPolarHBondContact O-CB 3.37Å; L775-F779 WeakPolarHBondContact O-CD2 3.14Å; L775-F779 PolarHBondContact O-N 3.26Å; F779-G781 PolarHBondContact O-N 2.92Å; F779-Y782 HydrophobicContact CB-CD1 4.23Å; F779-Y782 HydrophobicContact CB-CD2 4.45Å; F779-Y782 HydrophobicContact CB-CG 3.9Å; F779-Y782 WeakPolarHBondContact O-CB 3.32Å; F779-Y782 WeakPolarHBondContact O-CD1 3.46Å; F779-Y782 PolarHBondContact O-N 3.44Å
780P83.6Confident84.6Confident77 Ų7737.9 Ų37.950%0.523%0.234SC..THydrogen-bonded Turntrans-55.8122.7-179-27.336.2000112.9P438P438-P780 WeakPolarHBondContact CG-O 3.46Å
781G75.4Confident84Confident17 Ų1737.3 Ų37.318%0.17523%0.233CC..THydrogen-bonded Turntrans903.9-178.500000115.8F779 S783 N784F779-G781 PolarHBondContact O-N 2.92Å; G781-S783 PolarHBondContact O-N 2.82Å; G781-N784 WeakPolarHBondContact CA-ND2 3.49Å; G781-N784 VanDerWaalsContact O-CB 3.23Å; G781-N784 WeakPolarHBondContact O-CB 3.05Å; G781-N784 VanDerWaalsContact O-CG 3.31Å; G781-N784 PolarHBondContact O-N 3.25Å
782Y83Confident83.2Confident4 Ų439.8 Ų39.82%0.01625%0.248CC..THydrogen-bonded Turntrans-72.1-3.8177.495.3-54000115.3I428 V723 V724 Q772 L775 F779 R786I428-Y782 WeakPolarHBondContact O-CA 3.22Å; I428-Y782 WeakPolarHBondContact O-CB 3.38Å; V723-Y782 HydrophobicContact CB-CD2 4.06Å; V723-Y782 HydrophobicContact CB-CE2 4.14Å; V723-Y782 HydrophobicContact CG1-CD2 4Å; V723-Y782 HydrophobicContact CG1-CE2 3.74Å; V724-Y782 WeakPolarHBondContact O-CE2 3.37Å; V724-Y782 PolarHBondContact O-OH 3.12Å; Q772-Y782 PolarHBondContact NE2-OH 2.79Å; Q772-Y782 PolarHBondContact OE1-OH 3.38Å; L775-Y782 HydrophobicContact CB-CE1 4.15Å; L775-Y782 HydrophobicContact CB-CE2 4.22Å; L775-Y782 WeakPolarHBondContact CB-OH 3.44Å; F779-Y782 HydrophobicContact CB-CD1 4.23Å; F779-Y782 HydrophobicContact CB-CD2 4.45Å; F779-Y782 HydrophobicContact CB-CG 3.9Å; F779-Y782 WeakPolarHBondContact O-CB 3.32Å; F779-Y782 WeakPolarHBondContact O-CD1 3.46Å; F779-Y782 PolarHBondContact O-N 3.44Å; Y782-R786 VanDerWaalsContact CE2-NH2 3.3Å; Y782-R786 PolarHBondContact O-NE 3.47Å; Y782-R786 PolarHBondContact O-NH2 3.23Å
783S77.9Confident82.4Confident46 Ų4640.9 Ų40.932%0.32226%0.258SS..THydrogen-bonded Turntrans-95.1-2.2168.553.30000113.2G781 G785G781-S783 PolarHBondContact O-N 2.82Å; S783-G785 PolarHBondContact O-N 3.38Å
784N70.8Confident81.6Confident82 Ų8238.2 Ų38.244%0.43925%0.246SC..THydrogen-bonded Turntrans-78.8105.1-176.4-66-12.7000110.3P430 G781P430-N784 WeakPolarHBondContact CD-O 3.25Å; P430-N784 HydrophobicContact CG-CB 4.07Å; P430-N784 VanDerWaalsContact CG-O 3.29Å; P430-N784 WeakPolarHBondContact CG-O 3.16Å; G781-N784 WeakPolarHBondContact CA-ND2 3.49Å; G781-N784 VanDerWaalsContact O-CB 3.23Å; G781-N784 WeakPolarHBondContact O-CB 3.05Å; G781-N784 VanDerWaalsContact O-CG 3.31Å; G781-N784 PolarHBondContact O-N 3.25Å
785G59Low80.6Confident82 Ų8241.4 Ų41.485%0.84527%0.267SS*.THydrogen-bonded Turntrans82.334.7-179.900000113.8S783S783-G785 PolarHBondContact O-N 3.38Å
786R65.8Low79.5Confident82 Ų8245.2 Ų45.231%0.30929%0.291SS..  trans-139.30170-61.3-160.5-59153.24.9110.1E722 V723 F725 Y782E722-R786 WeakPolarHBondContact OE2-CD 3.41Å; E722-R786 IonicContact OE2-CZ 2.74Å; E722-R786 IonicContact OE2-NE 2.79Å; E722-R786 IonicContact OE2-NH1 3.64Å; E722-R786 PolarHBondContact OE2-NH1 3.03Å; V723-R786 PolarHBondContact O-NH1 2.98Å; V723-R786 PolarHBondContact O-NH2 3.28Å; F725-R786 HydrophobicContact CD1-CB 4.09Å; F725-R786 VanDerWaalsContact CD1-OXT 3.26Å; F725-R786 WeakPolarHBondContact CD1-OXT 3.42Å; F725-R786 HydrophobicContact CE1-CB 4.4Å; F725-R786 VanDerWaalsContact CE1-O 3.27Å; F725-R786 WeakPolarHBondContact CE1-O 3.33Å; F725-R786 WeakPolarHBondContact CE1-OXT 3.27Å; F725-R786 HydrophobicContact CG-CB 4.5Å; Y782-R786 VanDerWaalsContact CE2-NH2 3.3Å; Y782-R786 PolarHBondContact O-NE 3.47Å; Y782-R786 PolarHBondContact O-NH2 3.23Å

Retrieved 786 of 786 residues in 827.7 ms (Link to these results)

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