A0A096LSF2_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A096LSF2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 227 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
1M35.9Very low51.4Low252 Ų252122.3 Ų122.3100%1.24177%0.767SS**  0102.40-70.4-174.9176.600107.7
2A34.8Very low55Low105 Ų105117.2 Ų117.287%0.86873%0.729SS**  trans-92118.5174.600000107.8S4A2-S4 PolarHBondContact O-N 2.99Å
3S38.3Very low58.1Low120 Ų120108.2 Ų108.284%0.83967%0.673SS**  trans-67115.8173.843.20000109.4S5S3-S5 PolarHBondContact O-N 3.17Å
4S39.9Very low60.6Low115 Ų115102.1 Ų102.180%0.80464%0.642SS**  trans-70.9110168.5600000108.8A2 G6A2-S4 PolarHBondContact O-N 2.99Å; S4-G6 VanDerWaalsContact C-N 3.35Å; S4-G6 PolarHBondContact O-N 2.99Å
5S43.5Very low62.9Low115 Ų11599.7 Ų99.780%0.80464%0.644SS**  trans-67.196.5162.554.40000107.7S3 S7S3-S5 PolarHBondContact O-N 3.17Å; S5-S7 PolarHBondContact O-N 3.49Å
6G36.5Very low65Low71 Ų7198.3 Ų98.373%0.73263%0.625SS**  trans-54.4114.4172.700000109.3S4 K8S4-G6 VanDerWaalsContact C-N 3.35Å; S4-G6 PolarHBondContact O-N 2.99Å; G6-K8 PolarHBondContact O-N 2.97Å; G6-K8 VanDerWaalsContact O-N 3.07Å
7S44.7Very low67Low114 Ų11492.9 Ų92.980%0.79759%0.59SS**  trans-56.7115.8171.643.20000107.5S5 A9S5-S7 PolarHBondContact O-N 3.49Å; S7-A9 PolarHBondContact O-N 3.27Å
8K55.6Low68.6Low203 Ų20391.5 Ų91.588%0.88357%0.573SS**  trans-55.4111168.3-99.3-179.5175.31770106.2G6 E10G6-K8 PolarHBondContact O-N 2.97Å; G6-K8 VanDerWaalsContact O-N 3.07Å; K8-E10 PolarHBondContact O-N 2.72Å; K8-E10 VanDerWaalsContact O-N 3.11Å
9A63.6Low70.1Confident86 Ų8688.1 Ų88.171%0.71155%0.55SS**  trans-52.2122179.500000108.9S7 F11S7-A9 PolarHBondContact O-N 3.27Å; A9-F11 PolarHBondContact O-N 3.28Å
10E81.6Confident71.4Confident120 Ų12087.5 Ų87.556%0.56155%0.546SS*.  trans-63.7125.1-179.1-58.1-164.9157.600109K8 I12 K18K8-E10 PolarHBondContact O-N 2.72Å; K8-E10 VanDerWaalsContact O-N 3.11Å; E10-I12 HydrophobicContact CB-CG1 4.47Å; E10-I12 PolarHBondContact O-N 3.17Å; E10-K18 VanDerWaalsContact CD-CE 3.4Å; E10-K18 WeakPolarHBondContact OE1-CE 3.47Å; E10-K18 IonicContact OE1-NZ 2.61Å; E10-K18 PolarHBondContact OE1-NZ 3.25Å; E10-K18 WeakPolarHBondContact OE2-CE 3.48Å; E10-K18 IonicContact OE2-NZ 2.79Å; E10-K18 PolarHBondContact OE2-NZ 3.01Å
11F90.7Very high72.5Confident44 Ų4488.6 Ų88.619%0.19354%0.54CS..  trans-90.5101.8178-161.7-80.5000108.5A9 V13 L19 L47 E82 K83 Y85A9-F11 PolarHBondContact O-N 3.28Å; F11-V13 HydrophobicContact CD1-CG1 3.69Å; F11-V13 HydrophobicContact CE1-CG1 3.31Å; F11-V13 HydrophobicContact CZ-CG1 4.46Å; F11-L19 HydrophobicContact CB-CB 4.48Å; F11-L19 HydrophobicContact CD1-CD1 3.99Å; F11-L19 HydrophobicContact CD1-CD2 3.75Å; F11-L19 HydrophobicContact CD1-CG 4.35Å; F11-L19 HydrophobicContact CE1-CD2 4.24Å; F11-L19 HydrophobicContact CG-CD2 4.44Å; F11-L19 PolarHBondContact O-N 3.17Å; F11-L47 HydrophobicContact CE1-CD1 4.39Å; F11-E82 HydrophobicContact CE1-CG 4.42Å; F11-E82 HydrophobicContact CZ-CG 4.45Å; F11-K83 HydrophobicContact CD2-CD 4.39Å; F11-K83 HydrophobicContact CE2-CD 3.72Å; F11-K83 HydrophobicContact CZ-CD 4.38Å; F11-Y85 HydrophobicContact CZ-CD2 4.23Å
12I94.8Very high75.4Confident61 Ų6181 Ų8131%0.31350%0.5SS..EExtended strand (participates in β ladder)trans-106.9125.3177.7-56.7176.5000107.8E10 Y17 K18E10-I12 HydrophobicContact CB-CG1 4.47Å; E10-I12 PolarHBondContact O-N 3.17Å; I12-Y17 WeakPolarHBondContact CA-O 3.32Å; I12-K18 HydrophobicContact CG1-CB 4.26Å; I12-K18 HydrophobicContact CG1-CG 4.46Å
13V95.4Very high78.2Confident0 Ų079.7 Ų79.70%048%0.478CS..EExtended strand (participates in β ladder)trans-104.9144.3176.4-58.60000110.9F11 G15 K16 Y17 L19 V45 W78 E82 V87 V89F11-V13 HydrophobicContact CD1-CG1 3.69Å; F11-V13 HydrophobicContact CE1-CG1 3.31Å; F11-V13 HydrophobicContact CZ-CG1 4.46Å; V13-G15 PolarHBondContact O-N 3.27Å; V13-G15 VanDerWaalsContact O-N 3.11Å; V13-K16 PolarHBondContact O-N 2.97Å; V13-Y17 HydrophobicContact CG2-CD2 4.31Å; V13-Y17 HydrophobicContact CG2-CG 4.47Å; V13-Y17 PolarHBondContact N-O 3.27Å; V13-Y17 WeakPolarHBondContact O-CD2 3.34Å; V13-Y17 PolarHBondContact O-N 2.74Å; V13-L19 HydrophobicContact CG1-CD1 3.85Å; V13-L19 HydrophobicContact CG2-CD1 3.98Å; V13-V45 HydrophobicContact CG2-CG1 4.15Å; V13-V45 HydrophobicContact CG2-CG2 4.46Å; V13-W78 HydrophobicContact CB-CZ3 4.39Å; V13-E82 HydrophobicContact CB-CB 4.5Å; V13-E82 HydrophobicContact CB-CG 4.44Å; V13-E82 HydrophobicContact CG1-CB 4.13Å; V13-E82 HydrophobicContact CG1-CG 4.07Å; V13-V87 HydrophobicContact CB-CG1 3.98Å; V13-V87 HydrophobicContact CG1-CG1 4.02Å; V13-V87 HydrophobicContact CG1-CG2 4.27Å; V13-V87 HydrophobicContact CG2-CG1 3.92Å; V13-V89 HydrophobicContact CG2-CG2 4.13Å
14G93.5Very high80.7Confident24 Ų2475.3 Ų75.325%0.24745%0.452CS..THydrogen-bonded Turntrans58.928.1175.900000113.1K16 E82G14-K16 PolarHBondContact O-N 3.34Å; G14-K16 VanDerWaalsContact O-N 3.08Å; G14-E82 PolarHBondContact N-OE2 3.02Å
15G94.8Very high82.9Confident65 Ų6574 Ų7467%0.6744%0.443SS*.THydrogen-bonded Turntrans69.2-417900000116.6V13V13-G15 PolarHBondContact O-N 3.27Å; V13-G15 VanDerWaalsContact O-N 3.11Å
16K96.7Very high84.2Confident78 Ų7870 Ų7034%0.33942%0.419SS..THydrogen-bonded Turntrans-147.4-10.8-173.468.1-173.2-178.6-179.50117V13 G14 N36 I37 T38V13-K16 PolarHBondContact O-N 2.97Å; G14-K16 PolarHBondContact O-N 3.34Å; G14-K16 VanDerWaalsContact O-N 3.08Å; K16-N36 CarbonylContact O-C 3.59Å; K16-N36 WeakPolarHBondContact O-CA 3.5Å; K16-I37 HydrophobicContact CB-CG1 4.3Å; K16-I37 WeakPolarHBondContact O-CG1 3.39Å; K16-I37 PolarHBondContact O-N 3.42Å; K16-T38 HydrophobicContact CB-CG2 4.22Å
17Y97.9Very high85.7Confident6 Ų669.3 Ų69.32%0.02440%0.403CS..EExtended strand (participates in β ladder)trans-103.4104.1-179.2-52.1-76.9000110I12 V13 N36 V43 W78 V89I12-Y17 WeakPolarHBondContact CA-O 3.32Å; V13-Y17 HydrophobicContact CG2-CD2 4.31Å; V13-Y17 HydrophobicContact CG2-CG 4.47Å; V13-Y17 PolarHBondContact N-O 3.27Å; V13-Y17 WeakPolarHBondContact O-CD2 3.34Å; V13-Y17 PolarHBondContact O-N 2.74Å; Y17-N36 HydrophobicContact CD1-CB 3.85Å; Y17-N36 HydrophobicContact CE1-CB 3.96Å; Y17-V43 HydrophobicContact CD1-CG2 3.8Å; Y17-V43 HydrophobicContact CE1-CG2 4.39Å; Y17-W78 HydrophobicContact CE2-CB 3.98Å; Y17-V89 HydrophobicContact CD1-CG1 3.98Å; Y17-V89 HydrophobicContact CD2-CG1 4.19Å; Y17-V89 HydrophobicContact CD2-CG2 3.85Å; Y17-V89 HydrophobicContact CE1-CG1 3.93Å; Y17-V89 HydrophobicContact CE2-CB 4.38Å; Y17-V89 HydrophobicContact CE2-CG1 4.12Å; Y17-V89 HydrophobicContact CE2-CG2 4.1Å; Y17-V89 HydrophobicContact CG-CG1 4.1Å; Y17-V89 HydrophobicContact CG-CG2 4.28Å
18K97.3Very high87.1Confident68 Ų6866 Ų6630%0.29638%0.375SS..EExtended strand (participates in β ladder)trans-84.9118.6179.8177.1175.6175.5167.10110.1E10 I12 A34 I35 I37E10-K18 VanDerWaalsContact CD-CE 3.4Å; E10-K18 WeakPolarHBondContact OE1-CE 3.47Å; E10-K18 IonicContact OE1-NZ 2.61Å; E10-K18 PolarHBondContact OE1-NZ 3.25Å; E10-K18 WeakPolarHBondContact OE2-CE 3.48Å; E10-K18 IonicContact OE2-NZ 2.79Å; E10-K18 PolarHBondContact OE2-NZ 3.01Å; I12-K18 HydrophobicContact CG1-CB 4.26Å; I12-K18 HydrophobicContact CG1-CG 4.46Å; K18-A34 CarbonylContact O-C 3.41Å; K18-A34 WeakPolarHBondContact O-CA 3.42Å; K18-A34 VanDerWaalsContact O-CB 3.26Å; K18-A34 WeakPolarHBondContact O-CB 3.27Å; K18-I35 PolarHBondContact N-O 2.87Å; K18-I35 PolarHBondContact O-N 3.25Å; K18-I37 HydrophobicContact CB-CG2 3.68Å; K18-I37 HydrophobicContact CD-CG2 4.43Å
19L96.6Very high88.5Confident26 Ų2657.3 Ų57.314%0.13634%0.343CS..EExtended strand (participates in β ladder)trans-67.6136.7176.1-84.763.1000110.5F11 V13 Y32 A34 V45 L47F11-L19 HydrophobicContact CB-CB 4.48Å; F11-L19 HydrophobicContact CD1-CD1 3.99Å; F11-L19 HydrophobicContact CD1-CD2 3.75Å; F11-L19 HydrophobicContact CD1-CG 4.35Å; F11-L19 HydrophobicContact CE1-CD2 4.24Å; F11-L19 HydrophobicContact CG-CD2 4.44Å; F11-L19 PolarHBondContact O-N 3.17Å; V13-L19 HydrophobicContact CG1-CD1 3.85Å; V13-L19 HydrophobicContact CG2-CD1 3.98Å; L19-Y32 HydrophobicContact CD2-CD1 4.1Å; L19-Y32 HydrophobicContact CD2-CD2 4.15Å; L19-Y32 HydrophobicContact CD2-CG 3.83Å; L19-Y32 HydrophobicContact CG-CG 4.31Å; L19-A34 HydrophobicContact CD1-CB 4.26Å; L19-V45 HydrophobicContact CD1-CB 4.5Å; L19-V45 HydrophobicContact CD1-CG1 4.29Å; L19-V45 HydrophobicContact CD1-CG2 4.38Å; L19-L47 HydrophobicContact CD2-CD1 3.72Å
20V96.1Very high89.9Confident77 Ų7755.7 Ų55.747%0.46732%0.322SS..EExtended strand (participates in β ladder)trans-109.5-66.3-176.9-179.30000110.6L33 I35V20-L33 HydrophobicContact CB-CD2 4.44Å; V20-L33 HydrophobicContact CB-CG 4.3Å; V20-L33 WeakPolarHBondContact CB-O 3.42Å; V20-L33 HydrophobicContact CG1-CD2 4.47Å; V20-L33 PolarHBondContact N-O 3.15Å; V20-I35 HydrophobicContact CG2-CB 4.47Å; V20-I35 HydrophobicContact CG2-CD1 3.7Å; V20-I35 HydrophobicContact CG2-CG1 3.78Å
21R95.1Very high90.5Very high111 Ų11151.7 Ų51.742%0.41930%0.304SS..EExtended strand (participates in β ladder)trans-148.1150-177.264.5-179.4179.2176.82.1111.1I23 Y32 L33R21-I23 HydrophobicContact CG-CG2 4.23Å; R21-I23 PolarHBondContact O-N 3.43Å; R21-Y32 CarbonylContact O-C 3.53Å; R21-Y32 WeakPolarHBondContact O-CA 3.42Å; R21-L33 HydrophobicContact CG-CB 4.22Å; R21-L33 HydrophobicContact CG-CD2 4.32Å; R21-L33 PolarHBondContact O-N 3.16Å
22K95.5Very high90.8Very high92 Ų9252.3 Ų52.340%0.431%0.305SS..EExtended strand (participates in β ladder)trans-66.6131.4170-171.8172.7177.8168.20108.7G24 S25 D30 Y32K22-G24 VanDerWaalsContact CE-O 3.23Å; K22-G24 WeakPolarHBondContact CE-O 3.41Å; K22-S25 WeakPolarHBondContact CE-OG 3.49Å; K22-S25 PolarHBondContact NZ-OG 3.37Å; K22-S25 VanDerWaalsContact NZ-OG 3.1Å; K22-D30 HydrophobicContact CD-CB 4.46Å; K22-D30 VanDerWaalsContact CE-OD1 3.27Å; K22-D30 WeakPolarHBondContact CE-OD1 3.21Å; K22-D30 WeakPolarHBondContact CE-OD2 3.21Å; K22-D30 IonicContact NZ-OD1 3.01Å; K22-D30 PolarHBondContact NZ-OD1 2.79Å; K22-D30 IonicContact NZ-OD2 3.6Å; K22-D30 PolarHBondContact NZ-OD2 3.35Å; K22-Y32 HydrophobicContact CB-CD1 4.02Å; K22-Y32 HydrophobicContact CB-CE1 3.7Å; K22-Y32 HydrophobicContact CG-CE1 4.35Å
23I94Very high90.9Very high77 Ų7750.1 Ų50.140%0.39529%0.294SS..EExtended strand (participates in β ladder)trans-115.9-13.5179.359.3175.5000112.8R21 I31 L33 L92R21-I23 HydrophobicContact CG-CG2 4.23Å; R21-I23 PolarHBondContact O-N 3.43Å; I23-I31 HydrophobicContact CD1-CG2 3.92Å; I23-I31 HydrophobicContact CG1-CB 4.17Å; I23-I31 HydrophobicContact CG1-CG2 3.79Å; I23-I31 WeakPolarHBondContact CG1-O 3.37Å; I23-I31 PolarHBondContact N-O 2.82Å; I23-L33 HydrophobicContact CD1-CB 4.5Å; I23-L33 HydrophobicContact CG2-CB 3.7Å; I23-L92 HydrophobicContact CD1-CD1 3.61Å
24G90.3Very high91Very high29 Ų2950.1 Ų50.130%0.29929%0.294SS..EExtended strand (participates in β ladder)trans-172.3174.6175.200000112.3K22 I31K22-G24 VanDerWaalsContact CE-O 3.23Å; K22-G24 WeakPolarHBondContact CE-O 3.41Å; G24-I31 PolarHBondContact N-O 2.95Å; G24-I31 PolarHBondContact O-N 3.44Å
25S86.5Confident91.2Very high87 Ų8751.8 Ų51.861%0.60830%0.297SS*.EExtended strand (participates in β ladder)trans-124124.6167.6-53.80000106.6K22K22-S25 WeakPolarHBondContact CE-OG 3.49Å; K22-S25 PolarHBondContact NZ-OG 3.37Å; K22-S25 VanDerWaalsContact NZ-OG 3.1Å
26G70.2Confident91.4Very high30 Ų3049 Ų4931%0.30927%0.267SS..EExtended strand (participates in β ladder)trans-92.3176.8171.800000111.5F28 G29G26-F28 PolarHBondContact O-N 2.61Å; G26-F28 VanDerWaalsContact O-N 3.08Å; G26-G29 PolarHBondContact N-O 2.79Å; G26-G29 PolarHBondContact O-N 3.34Å
27S68.3Low91.4Very high57 Ų5749.6 Ų49.640%0.39927%0.272SS..THydrogen-bonded Turntrans-55.3-26.7178.3-48.60000113.9D185S27-D185 PolarHBondContact OG-OD2 3.3Å
28F73.9Confident91.3Very high46 Ų4654.2 Ų54.220%0.20230%0.302CS..THydrogen-bonded Turntrans-130.915.1-170.5-47.9-63.8000113.9G26 E48 Q56 L188G26-F28 PolarHBondContact O-N 2.61Å; G26-F28 VanDerWaalsContact O-N 3.08Å; F28-E48 WeakPolarHBondContact O-CG 3.41Å; F28-Q56 HydrophobicContact CD1-CG 4.16Å; F28-Q56 HydrophobicContact CD2-CB 4.3Å; F28-Q56 HydrophobicContact CE1-CG 4.4Å; F28-Q56 VanDerWaalsContact CE1-OE1 3.3Å; F28-Q56 HydrophobicContact CG-CB 4.2Å; F28-Q56 HydrophobicContact CG-CG 4.31Å; F28-Q56 VanDerWaalsContact CZ-CD 3.48Å; F28-L188 HydrophobicContact CE1-CD2 4.48Å; F28-L188 HydrophobicContact CE2-CD2 4.45Å; F28-L188 HydrophobicContact CE2-CG 4.22Å; F28-L188 HydrophobicContact CZ-CD1 4.4Å; F28-L188 HydrophobicContact CZ-CD2 3.68Å; F28-L188 HydrophobicContact CZ-CG 3.79Å
29G85.3Confident91.2Very high20 Ų2055.5 Ų55.521%0.20631%0.312CS..EExtended strand (participates in β ladder)trans159.8-171.9-178.800000114G26 L47G26-G29 PolarHBondContact N-O 2.79Å; G26-G29 PolarHBondContact O-N 3.34Å; G29-L47 CarbonylContact C-O 3.57Å; G29-L47 VanDerWaalsContact CA-O 3.24Å; G29-L47 WeakPolarHBondContact CA-O 3.43Å
30D92.9Very high91.1Very high52 Ų5256.6 Ų56.628%0.27833%0.329SS..EExtended strand (participates in β ladder)trans-101.1145.2-177.1-74.1-15.2000111.2K22 Y32 K46 L47K22-D30 HydrophobicContact CD-CB 4.46Å; K22-D30 VanDerWaalsContact CE-OD1 3.27Å; K22-D30 WeakPolarHBondContact CE-OD1 3.21Å; K22-D30 WeakPolarHBondContact CE-OD2 3.21Å; K22-D30 IonicContact NZ-OD1 3.01Å; K22-D30 PolarHBondContact NZ-OD1 2.79Å; K22-D30 IonicContact NZ-OD2 3.6Å; K22-D30 PolarHBondContact NZ-OD2 3.35Å; D30-Y32 HydrophobicContact CB-CD2 4.2Å; D30-Y32 HydrophobicContact CB-CE2 3.47Å; D30-Y32 VanDerWaalsContact CB-CE2 3.47Å; D30-K46 WeakPolarHBondContact O-CA 3.29Å; D30-L47 PolarHBondContact N-O 3.01Å; D30-L47 PolarHBondContact O-N 3.12Å
31I95.6Very high91.1Very high35 Ų3556 Ų5618%0.17932%0.321CS..EExtended strand (participates in β ladder)trans-108.7129.3176.1-45.4-62.7000109.1I23 G24 A44 V45 K46I23-I31 HydrophobicContact CD1-CG2 3.92Å; I23-I31 HydrophobicContact CG1-CB 4.17Å; I23-I31 HydrophobicContact CG1-CG2 3.79Å; I23-I31 WeakPolarHBondContact CG1-O 3.37Å; I23-I31 PolarHBondContact N-O 2.82Å; G24-I31 PolarHBondContact N-O 2.95Å; G24-I31 PolarHBondContact O-N 3.44Å; I31-A44 HydrophobicContact CG2-CB 4.33Å; I31-V45 CarbonylContact C-O 3.49Å; I31-V45 WeakPolarHBondContact CA-O 3.5Å; I31-K46 HydrophobicContact CD1-CB 3.53Å; I31-K46 HydrophobicContact CD1-CD 3.64Å; I31-K46 HydrophobicContact CD1-CG 3.41Å; I31-K46 VanDerWaalsContact CD1-CG 3.41Å
32Y97Very high91.2Very high57 Ų5754.4 Ų54.422%0.22432%0.319CS..EExtended strand (participates in β ladder)trans-118.8143.2178.7-69.7-99.4000111L19 R21 K22 D30 A44 V45 L47L19-Y32 HydrophobicContact CD2-CD1 4.1Å; L19-Y32 HydrophobicContact CD2-CD2 4.15Å; L19-Y32 HydrophobicContact CD2-CG 3.83Å; L19-Y32 HydrophobicContact CG-CG 4.31Å; R21-Y32 CarbonylContact O-C 3.53Å; R21-Y32 WeakPolarHBondContact O-CA 3.42Å; K22-Y32 HydrophobicContact CB-CD1 4.02Å; K22-Y32 HydrophobicContact CB-CE1 3.7Å; K22-Y32 HydrophobicContact CG-CE1 4.35Å; D30-Y32 HydrophobicContact CB-CD2 4.2Å; D30-Y32 HydrophobicContact CB-CE2 3.47Å; D30-Y32 VanDerWaalsContact CB-CE2 3.47Å; Y32-A44 CarbonylContact O-C 3.51Å; Y32-A44 WeakPolarHBondContact O-CA 3.38Å; Y32-V45 PolarHBondContact N-O 3.47Å; Y32-V45 PolarHBondContact O-N 2.91Å; Y32-L47 HydrophobicContact CD2-CD1 3.96Å; Y32-L47 HydrophobicContact CD2-CG 4.28Å; Y32-L47 HydrophobicContact CE2-CD1 3.88Å; Y32-L47 HydrophobicContact CE2-CG 4.49Å
33L96.9Very high91.3Very high16 Ų1650 Ų508%0.08430%0.299CS..EExtended strand (participates in β ladder)trans-70.6130.7157.517363.9000107.8V20 R21 I23 E42 L92V20-L33 HydrophobicContact CB-CD2 4.44Å; V20-L33 HydrophobicContact CB-CG 4.3Å; V20-L33 WeakPolarHBondContact CB-O 3.42Å; V20-L33 HydrophobicContact CG1-CD2 4.47Å; V20-L33 PolarHBondContact N-O 3.15Å; R21-L33 HydrophobicContact CG-CB 4.22Å; R21-L33 HydrophobicContact CG-CD2 4.32Å; R21-L33 PolarHBondContact O-N 3.16Å; I23-L33 HydrophobicContact CD1-CB 4.5Å; I23-L33 HydrophobicContact CG2-CB 3.7Å; L33-E42 HydrophobicContact CD1-CB 4.03Å; L33-E42 HydrophobicContact CD1-CG 4.37Å; L33-L92 HydrophobicContact CD1-CD1 4.09Å; L33-L92 HydrophobicContact CD1-CD2 3.54Å; L33-L92 HydrophobicContact CD1-CG 4.44Å
34A97.8Very high91.4Very high0 Ų046.7 Ų46.70%028%0.284CS..EExtended strand (participates in β ladder)trans-129.2157.5169.400000110.8K18 L19 E42 V43 V45K18-A34 CarbonylContact O-C 3.41Å; K18-A34 WeakPolarHBondContact O-CA 3.42Å; K18-A34 VanDerWaalsContact O-CB 3.26Å; K18-A34 WeakPolarHBondContact O-CB 3.27Å; L19-A34 HydrophobicContact CD1-CB 4.26Å; A34-E42 WeakPolarHBondContact O-CA 3.21Å; A34-V43 HydrophobicContact CB-CG2 3.91Å; A34-V43 PolarHBondContact N-O 3.21Å; A34-V43 PolarHBondContact O-N 3.04Å; A34-V45 HydrophobicContact CB-CG2 3.42Å; A34-V45 VanDerWaalsContact CB-CG2 3.42Å
35I97.4Very high91.8Very high59 Ų5945.3 Ų45.330%0.30327%0.27SS..EExtended strand (participates in β ladder)trans-114.2127.9175.2-63.5167.9000107.6K18 V20 I37 E41 E42K18-I35 PolarHBondContact N-O 2.87Å; K18-I35 PolarHBondContact O-N 3.25Å; V20-I35 HydrophobicContact CG2-CB 4.47Å; V20-I35 HydrophobicContact CG2-CD1 3.7Å; V20-I35 HydrophobicContact CG2-CG1 3.78Å; I35-I37 PolarHBondContact O-N 3.33Å; I35-E41 WeakPolarHBondContact CA-O 3.13Å; I35-E42 HydrophobicContact CG1-CG 4.42Å
36N97.3Very high92.3Very high6 Ų641.5 Ų41.53%0.03224%0.242CC..EExtended strand (participates in β ladder)trans-70.4111.7167.9179.8-3.5000109K16 Y17 T38 N39 G40 E41K16-N36 CarbonylContact O-C 3.59Å; K16-N36 WeakPolarHBondContact O-CA 3.5Å; Y17-N36 HydrophobicContact CD1-CB 3.85Å; Y17-N36 HydrophobicContact CE1-CB 3.96Å; N36-T38 PolarHBondContact O-N 3.31Å; N36-T38 VanDerWaalsContact O-N 3.15Å; N36-T38 PolarHBondContact OD1-N 2.98Å; N36-T38 VanDerWaalsContact OD1-N 3.16Å; N36-T38 PolarHBondContact OD1-OG1 3.26Å; N36-N39 WeakPolarHBondContact CB-OD1 3.47Å; N36-N39 PolarHBondContact ND2-OD1 3.14Å; N36-N39 VanDerWaalsContact ND2-OD1 3.12Å; N36-N39 PolarHBondContact O-N 3.23Å; N36-N39 PolarHBondContact O-OD1 2.97Å; N36-G40 WeakPolarHBondContact O-CA 3.35Å; N36-G40 PolarHBondContact O-N 3.4Å; N36-E41 HydrophobicContact CB-CB 4.2Å; N36-E41 PolarHBondContact N-O 3.34Å
37I96.7Very high93.5Very high90 Ų9040.7 Ų40.746%0.46223%0.23SC..THydrogen-bonded Turntrans-67.9-16.2-172.368.3-172.6000113.2K16 K18 I35K16-I37 HydrophobicContact CB-CG1 4.3Å; K16-I37 WeakPolarHBondContact O-CG1 3.39Å; K16-I37 PolarHBondContact O-N 3.42Å; K18-I37 HydrophobicContact CB-CG2 3.68Å; K18-I37 HydrophobicContact CD-CG2 4.43Å; I35-I37 PolarHBondContact O-N 3.33Å
38T96.8Very high94.8Very high104 Ų10438 Ų3864%0.63821%0.212SC*.THydrogen-bonded Turntrans-83.1-29.7-178.867.20000113K16 N36K16-T38 HydrophobicContact CB-CG2 4.22Å; N36-T38 PolarHBondContact O-N 3.31Å; N36-T38 VanDerWaalsContact O-N 3.15Å; N36-T38 PolarHBondContact OD1-N 2.98Å; N36-T38 VanDerWaalsContact OD1-N 3.16Å; N36-T38 PolarHBondContact OD1-OG1 3.26Å
39N95.6Very high95.8Very high95 Ų9538 Ų3851%0.50822%0.218SC..THydrogen-bonded Turntrans-134.5-4.5-172.768.3-1.7000114.2N36 E41N36-N39 WeakPolarHBondContact CB-OD1 3.47Å; N36-N39 PolarHBondContact ND2-OD1 3.14Å; N36-N39 VanDerWaalsContact ND2-OD1 3.12Å; N36-N39 PolarHBondContact O-N 3.23Å; N36-N39 PolarHBondContact O-OD1 2.97Å; N39-E41 VanDerWaalsContact C-N 3.28Å; N39-E41 PolarHBondContact ND2-OE2 2.78Å; N39-E41 PolarHBondContact O-N 3.47Å; N39-E41 WeakPolarHBondContact OD1-CB 3.26Å; N39-E41 PolarHBondContact OD1-N 3.05Å
40G94.8Very high96.2Very high49 Ų4940.6 Ų40.651%0.50522%0.224SC..  trans767-177.800000115.1N36 E42N36-G40 WeakPolarHBondContact O-CA 3.35Å; N36-G40 PolarHBondContact O-N 3.4Å; G40-E42 PolarHBondContact O-N 2.81Å
41E95.4Very high96.3Very high63 Ų6346.2 Ų46.229%0.29425%0.246SC..  trans-65.5128.5-179.8-175.7-174.7-177.200110.9I35 N36 N39 V43 R77I35-E41 WeakPolarHBondContact CA-O 3.13Å; N36-E41 HydrophobicContact CB-CB 4.2Å; N36-E41 PolarHBondContact N-O 3.34Å; N39-E41 VanDerWaalsContact C-N 3.28Å; N39-E41 PolarHBondContact ND2-OE2 2.78Å; N39-E41 PolarHBondContact O-N 3.47Å; N39-E41 WeakPolarHBondContact OD1-CB 3.26Å; N39-E41 PolarHBondContact OD1-N 3.05Å; E41-V43 HydrophobicContact CG-CG1 4.14Å; E41-R77 IonicContact OE1-CZ 2.65Å; E41-R77 IonicContact OE1-NE 2.83Å; E41-R77 PolarHBondContact OE1-NE 2.98Å; E41-R77 IonicContact OE1-NH2 2.74Å; E41-R77 PolarHBondContact OE1-NH2 2.98Å
42E96.7Very high96.1Very high78 Ų7846.2 Ų46.236%0.36425%0.252SS..EExtended strand (participates in β ladder)trans-81.1131.2172.5-65.2-173.4154.700110.6L33 A34 I35 G40 L92L33-E42 HydrophobicContact CD1-CB 4.03Å; L33-E42 HydrophobicContact CD1-CG 4.37Å; A34-E42 WeakPolarHBondContact O-CA 3.21Å; I35-E42 HydrophobicContact CG1-CG 4.42Å; G40-E42 PolarHBondContact O-N 2.81Å; E42-L92 HydrophobicContact CB-CD2 3.88Å
43V97.6Very high95.7Very high0 Ų054.2 Ų54.20%028%0.281CS..EExtended strand (participates in β ladder)trans-135.1158.5-177.2-60.30000111.1Y17 A34 E41 V45 V89Y17-V43 HydrophobicContact CD1-CG2 3.8Å; Y17-V43 HydrophobicContact CE1-CG2 4.39Å; A34-V43 HydrophobicContact CB-CG2 3.91Å; A34-V43 PolarHBondContact N-O 3.21Å; A34-V43 PolarHBondContact O-N 3.04Å; E41-V43 HydrophobicContact CG-CG1 4.14Å; V43-V45 HydrophobicContact CG2-CG2 4.27Å; V43-V89 HydrophobicContact CB-CG1 4.01Å; V43-V89 HydrophobicContact CG1-CG1 4.49Å; V43-V89 HydrophobicContact CG2-CG1 3.69Å
44A97.5Very high95.3Very high8 Ų859.3 Ų59.37%0.06630%0.304CS..EExtended strand (participates in β ladder)trans-93.4136.616900000110.4I31 Y32 V89 M90 L92I31-A44 HydrophobicContact CG2-CB 4.33Å; Y32-A44 CarbonylContact O-C 3.51Å; Y32-A44 WeakPolarHBondContact O-CA 3.38Å; A44-V89 WeakPolarHBondContact O-CA 3.43Å; A44-M90 HydrophobicContact CB-CG 3.94Å; A44-M90 PolarHBondContact N-O 3.29Å; A44-M90 PolarHBondContact O-N 3.48Å; A44-L92 HydrophobicContact CB-CD1 3.98Å
45V97.5Very high95Very high0 Ų063.1 Ų63.10%033%0.329CS..EExtended strand (participates in β ladder)trans-122.6114.7177.3-176.40000109.5V13 L19 I31 Y32 A34 V43 L47 V87 L88 V89V13-V45 HydrophobicContact CG2-CG1 4.15Å; V13-V45 HydrophobicContact CG2-CG2 4.46Å; L19-V45 HydrophobicContact CD1-CB 4.5Å; L19-V45 HydrophobicContact CD1-CG1 4.29Å; L19-V45 HydrophobicContact CD1-CG2 4.38Å; I31-V45 CarbonylContact C-O 3.49Å; I31-V45 WeakPolarHBondContact CA-O 3.5Å; Y32-V45 PolarHBondContact N-O 3.47Å; Y32-V45 PolarHBondContact O-N 2.91Å; A34-V45 HydrophobicContact CB-CG2 3.42Å; A34-V45 VanDerWaalsContact CB-CG2 3.42Å; V43-V45 HydrophobicContact CG2-CG2 4.27Å; V45-L47 HydrophobicContact CG1-CD2 4.07Å; V45-L47 HydrophobicContact CG1-CG 4.34Å; V45-V87 HydrophobicContact CG1-CG1 3.55Å; V45-L88 WeakPolarHBondContact CA-O 3.43Å; V45-V89 HydrophobicContact CG1-CG2 4.47Å; V45-V89 HydrophobicContact CG2-CG1 4.35Å; V45-V89 HydrophobicContact CG2-CG2 4.14Å
46K96.6Very high94.7Very high7 Ų762 Ų623%0.0332%0.322CS..EExtended strand (participates in β ladder)trans-90.6123.8172-173.8164.2-171.6-175.90108.9D30 I31 L57 E60 V87 L88 M90 D185D30-K46 WeakPolarHBondContact O-CA 3.29Å; I31-K46 HydrophobicContact CD1-CB 3.53Å; I31-K46 HydrophobicContact CD1-CD 3.64Å; I31-K46 HydrophobicContact CD1-CG 3.41Å; I31-K46 VanDerWaalsContact CD1-CG 3.41Å; K46-L57 HydrophobicContact CB-CD1 4.19Å; K46-L57 HydrophobicContact CD-CD1 3.57Å; K46-L57 HydrophobicContact CG-CD1 3.66Å; K46-E60 VanDerWaalsContact NZ-CD 3.32Å; K46-E60 IonicContact NZ-OE1 2.73Å; K46-E60 PolarHBondContact NZ-OE1 2.86Å; K46-E60 VanDerWaalsContact NZ-OE1 3.15Å; K46-E60 IonicContact NZ-OE2 3.16Å; K46-E60 PolarHBondContact NZ-OE2 2.87Å; K46-V87 WeakPolarHBondContact O-CA 3.39Å; K46-L88 HydrophobicContact CB-CB 4.37Å; K46-L88 PolarHBondContact N-O 2.68Å; K46-L88 PolarHBondContact O-N 3.32Å; K46-M90 HydrophobicContact CB-CE 4.06Å; K46-M90 HydrophobicContact CD-CE 4.5Å; K46-D185 IonicContact NZ-OD1 2.64Å; K46-D185 PolarHBondContact NZ-OD1 2.73Å
47L95.9Very high94.6Very high12 Ų1261.7 Ų61.76%0.06332%0.321CS..EExtended strand (participates in β ladder)trans-111.4124176.7-67.4-175.9000110.2F11 L19 G29 D30 Y32 V45 Y85 V87F11-L47 HydrophobicContact CE1-CD1 4.39Å; L19-L47 HydrophobicContact CD2-CD1 3.72Å; G29-L47 CarbonylContact C-O 3.57Å; G29-L47 VanDerWaalsContact CA-O 3.24Å; G29-L47 WeakPolarHBondContact CA-O 3.43Å; D30-L47 PolarHBondContact N-O 3.01Å; D30-L47 PolarHBondContact O-N 3.12Å; Y32-L47 HydrophobicContact CD2-CD1 3.96Å; Y32-L47 HydrophobicContact CD2-CG 4.28Å; Y32-L47 HydrophobicContact CE2-CD1 3.88Å; Y32-L47 HydrophobicContact CE2-CG 4.49Å; V45-L47 HydrophobicContact CG1-CD2 4.07Å; V45-L47 HydrophobicContact CG1-CG 4.34Å; L47-Y85 HydrophobicContact CB-CD1 4.11Å; L47-V87 HydrophobicContact CD2-CB 4.08Å; L47-V87 HydrophobicContact CD2-CG1 3.84Å; L47-V87 HydrophobicContact CD2-CG2 3.5Å; L47-V87 VanDerWaalsContact CD2-CG2 3.5Å
48E96.2Very high94.6Very high2 Ų261.3 Ų61.31%0.00932%0.32CS..EExtended strand (participates in β ladder)trans-118131.9172.4175-173.8-100.600108.6F28 Q50 A52 P55 Q56 L57 Y85 N86F28-E48 WeakPolarHBondContact O-CG 3.41Å; E48-Q50 PolarHBondContact O-N 3.42Å; E48-A52 HydrophobicContact CG-CB 4.23Å; E48-P55 WeakPolarHBondContact OE1-CA 3.34Å; E48-Q56 PolarHBondContact OE1-N 3.11Å; E48-L57 HydrophobicContact CB-CB 3.96Å; E48-L57 HydrophobicContact CB-CD2 3.81Å; E48-L57 HydrophobicContact CB-CG 4.47Å; E48-L57 HydrophobicContact CG-CB 4.43Å; E48-L57 PolarHBondContact OE1-N 3.38Å; E48-L57 VanDerWaalsContact OE1-N 3.12Å; E48-L57 WeakPolarHBondContact OE2-CB 3.3Å; E48-L57 PolarHBondContact OE2-N 3.29Å; E48-Y85 CarbonylContact O-C 3.58Å; E48-Y85 VanDerWaalsContact O-CA 3.28Å; E48-Y85 WeakPolarHBondContact O-CA 3.44Å; E48-N86 HydrophobicContact CB-CB 4.4Å; E48-N86 PolarHBondContact N-O 2.73Å; E48-N86 PolarHBondContact O-N 3.05Å; E48-N86 PolarHBondContact OE2-ND2 3.45Å
49S94.9Very high94.5Very high46 Ų4660.6 Ų60.632%0.32231%0.306SS..EExtended strand (participates in β ladder)trans-64.1134.1174.7-179.20000110.3K51 A52S49-K51 PolarHBondContact O-N 2.95Å; S49-K51 VanDerWaalsContact O-N 3.12Å; S49-K51 PolarHBondContact OG-N 2.86Å; S49-A52 WeakPolarHBondContact O-CB 3.45Å; S49-A52 PolarHBondContact O-N 2.89Å
50Q94.1Very high94.6Very high74 Ų7456.1 Ų56.135%0.34628%0.282SS..THydrogen-bonded Turntrans-62.4-19.5173.4-68.8175.820.200112.7E48 A52 K83 D84 Y85E48-Q50 PolarHBondContact O-N 3.42Å; Q50-A52 VanDerWaalsContact C-N 3.32Å; Q50-K83 PolarHBondContact NE2-O 3.44Å; Q50-D84 WeakPolarHBondContact CB-O 3.22Å; Q50-D84 WeakPolarHBondContact CG-O 3.49Å; Q50-D84 PolarHBondContact N-O 3.06Å; Q50-Y85 PolarHBondContact NE2-O 2.83Å
51K93.9Very high94.7Very high169 Ų16954 Ų5474%0.73526%0.259SS*.THydrogen-bonded Turntrans-90.87.1176.6-59177.1-175170.80112.7S49 R53S49-K51 PolarHBondContact O-N 2.95Å; S49-K51 VanDerWaalsContact O-N 3.12Å; S49-K51 PolarHBondContact OG-N 2.86Å; K51-R53 PolarHBondContact O-N 2.9Å
52A91.9Very high94.8Very high36 Ų3656.8 Ų56.830%0.29827%0.27SS..  trans-58.3137.3177.900000110.7E48 S49 Q50 H54 P55E48-A52 HydrophobicContact CG-CB 4.23Å; S49-A52 WeakPolarHBondContact O-CB 3.45Å; S49-A52 PolarHBondContact O-N 2.89Å; Q50-A52 VanDerWaalsContact C-N 3.32Å; A52-H54 PolarHBondContact O-N 2.96Å; A52-P55 WeakPolarHBondContact O-CD 3.18Å
53R88.4Confident94.8Very high224 Ų22453.2 Ų53.285%0.84525%0.254SS*.SBendtrans-60-32.5-179-169.5-179.2-179.8178.1-0.9112.7K51K51-R53 PolarHBondContact O-N 2.9Å
54H87.7Confident94.8Very high123 Ų12353.3 Ų53.357%0.56925%0.254SS*.SBendtrans-13680.7-178.8-59.1-56.2000109.3A52 Q56A52-H54 PolarHBondContact O-N 2.96Å; H54-Q56 WeakPolarHBondContact O-CG 3.27Å
55P91.1Very high94.8Very high80 Ų8060 Ų6052%0.51928%0.281SS..  trans-71.5131-178.729.5-33000110.5E48 A52E48-P55 WeakPolarHBondContact OE1-CA 3.34Å; A52-P55 WeakPolarHBondContact O-CD 3.18Å
56Q92.4Very high94.8Very high35 Ų3563.9 Ų63.916%0.16430%0.302CS..  trans-127.6-15.5-175.8-58.5-171.416.700112.8F28 E48 H54 L58 Y59 E60 G187F28-Q56 HydrophobicContact CD1-CG 4.16Å; F28-Q56 HydrophobicContact CD2-CB 4.3Å; F28-Q56 HydrophobicContact CE1-CG 4.4Å; F28-Q56 VanDerWaalsContact CE1-OE1 3.3Å; F28-Q56 HydrophobicContact CG-CB 4.2Å; F28-Q56 HydrophobicContact CG-CG 4.31Å; F28-Q56 VanDerWaalsContact CZ-CD 3.48Å; E48-Q56 PolarHBondContact OE1-N 3.11Å; H54-Q56 WeakPolarHBondContact O-CG 3.27Å; Q56-L58 VanDerWaalsContact C-N 3.3Å; Q56-L58 PolarHBondContact O-N 2.89Å; Q56-Y59 WeakPolarHBondContact O-CA 3.13Å; Q56-Y59 WeakPolarHBondContact O-CB 3.49Å; Q56-Y59 PolarHBondContact O-N 3.03Å; Q56-E60 PolarHBondContact O-N 3.08Å; Q56-G187 PolarHBondContact OE1-O 2.85Å
57L94.8Very high94.8Very high1 Ų163.6 Ų63.61%0.00530%0.3CS..Hα-helixtrans-64.7-31.9-171.2-16363.1000113.6K46 E48 S61 Y79 N86 L88K46-L57 HydrophobicContact CB-CD1 4.19Å; K46-L57 HydrophobicContact CD-CD1 3.57Å; K46-L57 HydrophobicContact CG-CD1 3.66Å; E48-L57 HydrophobicContact CB-CB 3.96Å; E48-L57 HydrophobicContact CB-CD2 3.81Å; E48-L57 HydrophobicContact CB-CG 4.47Å; E48-L57 HydrophobicContact CG-CB 4.43Å; E48-L57 PolarHBondContact OE1-N 3.38Å; E48-L57 VanDerWaalsContact OE1-N 3.12Å; E48-L57 WeakPolarHBondContact OE2-CB 3.3Å; E48-L57 PolarHBondContact OE2-N 3.29Å; L57-S61 WeakPolarHBondContact O-CB 3.25Å; L57-S61 PolarHBondContact O-N 3.31Å; L57-Y79 HydrophobicContact CG-CE2 4.28Å; L57-N86 HydrophobicContact CB-CB 4.39Å; L57-N86 HydrophobicContact CD2-CB 3.99Å; L57-N86 VanDerWaalsContact CD2-O 3.32Å; L57-N86 WeakPolarHBondContact CD2-O 3.3Å; L57-L88 HydrophobicContact CD1-CB 3.82Å; L57-L88 HydrophobicContact CD1-CD2 3.87Å; L57-L88 HydrophobicContact CD2-CB 4.03Å; L57-L88 HydrophobicContact CG-CB 3.98Å
58L95.8Very high94.8Very high82 Ų8265.8 Ų65.843%0.42931%0.31SS..Hα-helixtrans-65.8-39.9172.1179.458.6000112.4Q56 S61 K62 Y79Q56-L58 VanDerWaalsContact C-N 3.3Å; Q56-L58 PolarHBondContact O-N 2.89Å; L58-S61 PolarHBondContact O-OG 2.89Å; L58-S61 VanDerWaalsContact O-OG 3.05Å; L58-K62 WeakPolarHBondContact O-CG 3.47Å; L58-K62 PolarHBondContact O-N 3.09Å; L58-Y79 WeakPolarHBondContact CB-OH 3.36Å; L58-Y79 HydrophobicContact CD1-CD1 4.45Å; L58-Y79 HydrophobicContact CD1-CE1 3.58Å
59Y96.6Very high94.6Very high88 Ų8869.2 Ų69.235%0.34535%0.346SS..Hα-helixtrans-66.1-47.6176.9172.7-98.6000110Q56 S61 K62 L63 A189Q56-Y59 WeakPolarHBondContact O-CA 3.13Å; Q56-Y59 WeakPolarHBondContact O-CB 3.49Å; Q56-Y59 PolarHBondContact O-N 3.03Å; Y59-S61 VanDerWaalsContact C-N 3.35Å; Y59-S61 PolarHBondContact O-N 2.97Å; Y59-K62 PolarHBondContact O-N 3.2Å; Y59-L63 HydrophobicContact CE1-CD2 4.06Å; Y59-L63 PolarHBondContact O-N 2.77Å; Y59-A189 HydrophobicContact CE1-CB 4.5Å; Y59-A189 WeakPolarHBondContact CE1-O 3.19Å; Y59-A189 PolarHBondContact OH-O 3Å
60E96.3Very high94.6Very high2 Ų267.5 Ų67.51%0.00934%0.335CS..Hα-helixtrans-58.2-44.6177.6-171.8178-173.300111.5K46 Q56 K62 L63 Y64 F186K46-E60 VanDerWaalsContact NZ-CD 3.32Å; K46-E60 IonicContact NZ-OE1 2.73Å; K46-E60 PolarHBondContact NZ-OE1 2.86Å; K46-E60 VanDerWaalsContact NZ-OE1 3.15Å; K46-E60 IonicContact NZ-OE2 3.16Å; K46-E60 PolarHBondContact NZ-OE2 2.87Å; Q56-E60 PolarHBondContact O-N 3.08Å; E60-K62 PolarHBondContact O-N 3.27Å; E60-L63 PolarHBondContact O-N 3.01Å; E60-L63 VanDerWaalsContact O-N 3.15Å; E60-Y64 HydrophobicContact CG-CD2 3.83Å; E60-Y64 HydrophobicContact CG-CE2 3.56Å; E60-Y64 VanDerWaalsContact O-CD2 3.27Å; E60-Y64 WeakPolarHBondContact O-CD2 3.27Å; E60-Y64 PolarHBondContact O-N 2.88Å; E60-Y64 WeakPolarHBondContact OE1-CE2 3.3Å; E60-F186 HydrophobicContact CG-CB 4.27Å; E60-F186 PolarHBondContact OE1-N 3.46Å
61S96.6Very high94.6Very high3 Ų368.1 Ų68.12%0.02134%0.344CS..Hα-helixtrans-64.3-37.917976.20000113.2L57 L58 Y59 K65 Y79L57-S61 WeakPolarHBondContact O-CB 3.25Å; L57-S61 PolarHBondContact O-N 3.31Å; L58-S61 PolarHBondContact O-OG 2.89Å; L58-S61 VanDerWaalsContact O-OG 3.05Å; Y59-S61 VanDerWaalsContact C-N 3.35Å; Y59-S61 PolarHBondContact O-N 2.97Å; S61-K65 WeakPolarHBondContact O-CG 3.41Å; S61-K65 PolarHBondContact O-N 3.46Å; S61-Y79 VanDerWaalsContact CB-CD2 3.43Å; S61-Y79 WeakPolarHBondContact OG-CD2 3.49Å
62K97.5Very high94.7Very high123 Ų12360.1 Ų60.154%0.53531%0.309SS..Hα-helixtrans-65.9-40.5172.8-72.4175.6-179178.10111.4L58 Y59 E60 K65 I66L58-K62 WeakPolarHBondContact O-CG 3.47Å; L58-K62 PolarHBondContact O-N 3.09Å; Y59-K62 PolarHBondContact O-N 3.2Å; E60-K62 PolarHBondContact O-N 3.27Å; K62-K65 WeakPolarHBondContact O-CB 3.27Å; K62-K65 PolarHBondContact O-N 2.81Å; K62-I66 PolarHBondContact O-N 3.23Å
63L97.8Very high95Very high3 Ų358.6 Ų58.62%0.01630%0.296CS..Hα-helixtrans-68.1-42.1180-174.851.5000111.5Y59 E60 K65 I66 L67 F132 F186 A189Y59-L63 HydrophobicContact CE1-CD2 4.06Å; Y59-L63 PolarHBondContact O-N 2.77Å; E60-L63 PolarHBondContact O-N 3.01Å; E60-L63 VanDerWaalsContact O-N 3.15Å; L63-K65 PolarHBondContact O-N 3.33Å; L63-I66 HydrophobicContact CD1-CB 4.46Å; L63-I66 HydrophobicContact CD1-CD1 4.36Å; L63-I66 WeakPolarHBondContact O-CB 3.41Å; L63-I66 PolarHBondContact O-N 3.41Å; L63-L67 HydrophobicContact CD1-CD1 4.34Å; L63-L67 HydrophobicContact CD1-CG 4.21Å; L63-L67 HydrophobicContact CG-CD1 4.05Å; L63-L67 HydrophobicContact CG-CG 4.38Å; L63-L67 WeakPolarHBondContact O-CG 3.26Å; L63-L67 PolarHBondContact O-N 2.96Å; L63-F132 HydrophobicContact CD1-CD1 3.63Å; L63-F132 HydrophobicContact CD1-CD2 3.67Å; L63-F132 HydrophobicContact CD1-CE1 3.63Å; L63-F132 HydrophobicContact CD1-CE2 3.68Å; L63-F132 HydrophobicContact CD1-CG 3.66Å; L63-F132 HydrophobicContact CD1-CZ 3.67Å; L63-F132 HydrophobicContact CD2-CD1 4.09Å; L63-F132 HydrophobicContact CD2-CE1 4.45Å; L63-F186 HydrophobicContact CD2-CB 3.74Å; L63-F186 HydrophobicContact CD2-CD1 4.43Å; L63-F186 HydrophobicContact CD2-CG 4.38Å; L63-F186 HydrophobicContact CG-CB 4.29Å; L63-A189 HydrophobicContact CD2-CB 3.32Å
64Y97.9Very high95.3Very high1 Ų148 Ų480%0.00426%0.256CS..Hα-helixtrans-55.2-40.1171.8-86.4-67.1000112.6E60 I66 L67 Q68 I73 P74 I76 L88 F186E60-Y64 HydrophobicContact CG-CD2 3.83Å; E60-Y64 HydrophobicContact CG-CE2 3.56Å; E60-Y64 VanDerWaalsContact O-CD2 3.27Å; E60-Y64 WeakPolarHBondContact O-CD2 3.27Å; E60-Y64 PolarHBondContact O-N 2.88Å; E60-Y64 WeakPolarHBondContact OE1-CE2 3.3Å; Y64-I66 VanDerWaalsContact C-N 3.29Å; Y64-I66 PolarHBondContact O-N 2.93Å; Y64-L67 CarbonylContact O-C 3.57Å; Y64-L67 PolarHBondContact O-N 3.37Å; Y64-L67 VanDerWaalsContact O-N 3.14Å; Y64-Q68 VanDerWaalsContact O-CG 3.29Å; Y64-Q68 WeakPolarHBondContact O-CG 3.46Å; Y64-Q68 PolarHBondContact O-N 2.84Å; Y64-Q68 PolarHBondContact O-NE2 3.36Å; Y64-I73 HydrophobicContact CD1-CG2 4.12Å; Y64-I73 HydrophobicContact CE1-CG2 4.45Å; Y64-P74 HydrophobicContact CE1-CG 4.47Å; Y64-I76 VanDerWaalsContact CB-CG1 3.41Å; Y64-I76 HydrophobicContact CD1-CD1 4.08Å; Y64-I76 HydrophobicContact CD1-CG1 4.29Å; Y64-I76 HydrophobicContact CD2-CD1 3.78Å; Y64-I76 HydrophobicContact CD2-CG1 4.21Å; Y64-I76 HydrophobicContact CE2-CD1 4.26Å; Y64-I76 HydrophobicContact CG-CD1 3.68Å; Y64-I76 HydrophobicContact CG-CG1 3.76Å; Y64-L88 HydrophobicContact CD2-CD2 4.1Å; Y64-L88 HydrophobicContact CE2-CD2 4.12Å; Y64-F186 HydrophobicContact CD1-CD2 4.13Å; Y64-F186 HydrophobicContact CD1-CE2 4.14Å; Y64-F186 AromaticContact CE1-CD2 3.55Å; Y64-F186 HydrophobicContact CE1-CD2 3.55Å; Y64-F186 AromaticContact CE1-CE2 3.46Å; Y64-F186 HydrophobicContact CE1-CE2 3.46Å; Y64-F186 VanDerWaalsContact CE1-CE2 3.46Å; Y64-F186 HydrophobicContact CE2-CD2 4.04Å; Y64-F186 AromaticContact CZ-CD2 3.5Å; Y64-F186 VanDerWaalsContact CZ-CD2 3.5Å; Y64-F186 AromaticContact CZ-CE2 3.8Å
65K96.9Very high95.7Very high148 Ų14846.3 Ų46.364%0.64325%0.249SC*.Hα-helixtrans-59.7-37.3174.9-71.9178.8179-176.50112.8S61 K62 L63S61-K65 WeakPolarHBondContact O-CG 3.41Å; S61-K65 PolarHBondContact O-N 3.46Å; K62-K65 WeakPolarHBondContact O-CB 3.27Å; K62-K65 PolarHBondContact O-N 2.81Å; L63-K65 PolarHBondContact O-N 3.33Å
66I97.5Very high96Very high83 Ų8344 Ų4443%0.42623%0.232SC..Hα-helixtrans-70.4-35.6176.1-62.4167.7000111K62 L63 Y64 F132K62-I66 PolarHBondContact O-N 3.23Å; L63-I66 HydrophobicContact CD1-CB 4.46Å; L63-I66 HydrophobicContact CD1-CD1 4.36Å; L63-I66 WeakPolarHBondContact O-CB 3.41Å; L63-I66 PolarHBondContact O-N 3.41Å; Y64-I66 VanDerWaalsContact C-N 3.29Å; Y64-I66 PolarHBondContact O-N 2.93Å; I66-F132 HydrophobicContact CD1-CE2 4.12Å; I66-F132 HydrophobicContact CD1-CZ 4.02Å; I66-F132 HydrophobicContact CG2-CE2 4.17Å
67L97.7Very high96.2Very high0 Ų047 Ų470%024%0.241CC..Hα-helixtrans-83.7-14.2-177.5-61.9178.2000113.7L63 Y64 G70 I73 Y126 V127 K130 F186L63-L67 HydrophobicContact CD1-CD1 4.34Å; L63-L67 HydrophobicContact CD1-CG 4.21Å; L63-L67 HydrophobicContact CG-CD1 4.05Å; L63-L67 HydrophobicContact CG-CG 4.38Å; L63-L67 WeakPolarHBondContact O-CG 3.26Å; L63-L67 PolarHBondContact O-N 2.96Å; Y64-L67 CarbonylContact O-C 3.57Å; Y64-L67 PolarHBondContact O-N 3.37Å; Y64-L67 VanDerWaalsContact O-N 3.14Å; L67-G70 PolarHBondContact O-N 2.92Å; L67-I73 HydrophobicContact CB-CG1 4.45Å; L67-I73 HydrophobicContact CB-CG2 3.95Å; L67-Y126 HydrophobicContact CB-CE1 4.39Å; L67-Y126 HydrophobicContact CD2-CE1 4.34Å; L67-Y126 VanDerWaalsContact O-CE1 3.29Å; L67-Y126 WeakPolarHBondContact O-CE1 3.42Å; L67-Y126 PolarHBondContact O-OH 2.74Å; L67-V127 HydrophobicContact CD2-CG2 4.5Å; L67-K130 HydrophobicContact CD2-CB 3.82Å; L67-K130 HydrophobicContact CD2-CG 3.83Å; L67-F186 HydrophobicContact CD1-CD1 3.73Å; L67-F186 HydrophobicContact CD1-CD2 4.17Å; L67-F186 HydrophobicContact CD1-CE1 3.49Å; L67-F186 VanDerWaalsContact CD1-CE1 3.49Å; L67-F186 HydrophobicContact CD1-CE2 3.97Å; L67-F186 HydrophobicContact CD1-CG 4.06Å; L67-F186 HydrophobicContact CD1-CZ 3.63Å
68Q95Very high96.3Very high59 Ų5950.6 Ų50.628%0.27626%0.255SS..THydrogen-bonded Turntrans-51.5145.2179.2-74.2-53.1-73.300112.3Y64 G70 P74 H75 Y126Y64-Q68 VanDerWaalsContact O-CG 3.29Å; Y64-Q68 WeakPolarHBondContact O-CG 3.46Å; Y64-Q68 PolarHBondContact O-N 2.84Å; Y64-Q68 PolarHBondContact O-NE2 3.36Å; Q68-G70 VanDerWaalsContact C-N 3.31Å; Q68-P74 PolarHBondContact NE2-O 3.47Å; Q68-H75 PolarHBondContact OE1-CD2 3.02Å; Q68-H75 VanDerWaalsContact OE1-CD2 3.29Å; Q68-Y126 PolarHBondContact O-OH 2.81Å
69G91.8Very high96.4Very high74 Ų7449.2 Ų49.276%0.76325%0.245SC*.THydrogen-bonded Turntrans86.7-6-174.100000114.4
70G94.9Very high96.4Very high9 Ų945.7 Ų45.79%0.09324%0.235CC..  trans-78.5136.7172.600000112.2L67 Q68 I73 Y126L67-G70 PolarHBondContact O-N 2.92Å; Q68-G70 VanDerWaalsContact C-N 3.31Å; G70-I73 PolarHBondContact O-N 3.48Å; G70-Y126 VanDerWaalsContact CA-CE1 3.47Å; G70-Y126 VanDerWaalsContact CA-OH 3.3Å; G70-Y126 WeakPolarHBondContact CA-OH 3.18Å; G70-Y126 PolarHBondContact N-OH 3.08Å; G70-Y126 VanDerWaalsContact N-OH 3.09Å
71V94.6Very high96.4Very high87 Ų8751.6 Ų51.653%0.52726%0.262SS..THydrogen-bonded Turntrans-58.9141.5167.8-178.90000108.5I73 R123 Q180V71-I73 PolarHBondContact O-N 3.25Å; V71-R123 VanDerWaalsContact CB-NH1 3.29Å; V71-R123 VanDerWaalsContact CG1-NH1 3.34Å; V71-R123 PolarHBondContact O-NH1 3.27Å; V71-Q180 HydrophobicContact CG1-CG 4.44Å
72G95.4Very high96.3Very high1 Ų154.1 Ų54.11%0.0127%0.274CS..THydrogen-bonded Turntrans66.720179.700000114.8L181 F182 L183G72-L181 WeakPolarHBondContact CA-O 3.23Å; G72-F182 VanDerWaalsContact C-CD1 3.41Å; G72-F182 WeakPolarHBondContact O-CA 3.19Å; G72-L183 PolarHBondContact O-N 2.89Å
73I97.6Very high96.1Very high5 Ų554.4 Ų54.43%0.02628%0.275CS..  trans-111.9123.6169.5-58-62000108.3Y64 L67 G70 V71 Y126 F186Y64-I73 HydrophobicContact CD1-CG2 4.12Å; Y64-I73 HydrophobicContact CE1-CG2 4.45Å; L67-I73 HydrophobicContact CB-CG1 4.45Å; L67-I73 HydrophobicContact CB-CG2 3.95Å; G70-I73 PolarHBondContact O-N 3.48Å; V71-I73 PolarHBondContact O-N 3.25Å; I73-Y126 HydrophobicContact CD1-CD1 4.29Å; I73-Y126 HydrophobicContact CD1-CE1 4.47Å; I73-Y126 HydrophobicContact CG1-CD1 3.95Å; I73-Y126 HydrophobicContact CG1-CE1 3.81Å; I73-F186 HydrophobicContact CD1-CE2 4.41Å; I73-F186 HydrophobicContact CD1-CZ 3.8Å
74P96.1Very high95.9Very high0 Ų058.6 Ų58.60%030%0.297CS..PPolyproline II helixtrans-60.1144.4176.2-27.837.7000113Y64 Q68 D91 L93 F182 I184Y64-P74 HydrophobicContact CE1-CG 4.47Å; Q68-P74 PolarHBondContact NE2-O 3.47Å; P74-D91 HydrophobicContact CB-CB 4.31Å; P74-L93 HydrophobicContact CG-CD1 3.86Å; P74-F182 HydrophobicContact CG-CD1 4.09Å; P74-I184 HydrophobicContact CG-CG2 3.77Å
75H95.5Very high95.8Very high88 Ų8862.9 Ų62.941%0.40731%0.314SS..PPolyproline II helixtrans-78138.5171.3-59.789.3000110.7Q68 M90 D91Q68-H75 PolarHBondContact OE1-CD2 3.02Å; Q68-H75 VanDerWaalsContact OE1-CD2 3.29Å; H75-M90 CarbonylContact O-C 3.53Å; H75-M90 VanDerWaalsContact O-CA 3.25Å; H75-M90 WeakPolarHBondContact O-CA 3.43Å; H75-D91 WeakPolarHBondContact CB-OD2 3.1Å; H75-D91 IonicContact CG-OD2 2.96Å; H75-D91 PolarHBondContact N-OD2 3.44Å; H75-D91 IonicContact ND1-OD2 3.95Å; H75-D91 PolarHBondContact ND1-OD2 3.48Å; H75-D91 PolarHBondContact O-N 2.99Å
76I96.5Very high95.8Very high33 Ų3356.4 Ų56.417%0.16929%0.287CS..EExtended strand (participates in β ladder)trans-92.7122.9171.9-58.3-51.3000108.8Y64 L88 M90Y64-I76 VanDerWaalsContact CB-CG1 3.41Å; Y64-I76 HydrophobicContact CD1-CD1 4.08Å; Y64-I76 HydrophobicContact CD1-CG1 4.29Å; Y64-I76 HydrophobicContact CD2-CD1 3.78Å; Y64-I76 HydrophobicContact CD2-CG1 4.21Å; Y64-I76 HydrophobicContact CE2-CD1 4.26Å; Y64-I76 HydrophobicContact CG-CD1 3.68Å; Y64-I76 HydrophobicContact CG-CG1 3.76Å; I76-L88 HydrophobicContact CD1-CD1 3.98Å; I76-L88 HydrophobicContact CD1-CD2 4.3Å; I76-L88 HydrophobicContact CD1-CG 4.24Å; I76-L88 HydrophobicContact CG1-CD1 4.36Å; I76-L88 HydrophobicContact CG2-CD1 3.56Å; I76-M90 HydrophobicContact CD1-CB 3.61Å
77R96.5Very high95.8Very high97 Ų9752.5 Ų52.537%0.36627%0.266SS..EExtended strand (participates in β ladder)trans-89.2-37.6178.4-61.9-67.6-169.6-106.2-12.5111.6E41 V89 D91E41-R77 IonicContact OE1-CZ 2.65Å; E41-R77 IonicContact OE1-NE 2.83Å; E41-R77 PolarHBondContact OE1-NE 2.98Å; E41-R77 IonicContact OE1-NH2 2.74Å; E41-R77 PolarHBondContact OE1-NH2 2.98Å; R77-V89 HydrophobicContact CB-CB 4.3Å; R77-V89 HydrophobicContact CB-CG1 3.98Å; R77-V89 PolarHBondContact N-O 2.98Å; R77-D91 IonicContact CZ-OD1 2.72Å; R77-D91 IonicContact NE-OD1 3.39Å; R77-D91 IonicContact NH1-OD1 3.85Å; R77-D91 PolarHBondContact NH1-OD1 3.35Å; R77-D91 IonicContact NH2-OD1 3.15Å; R77-D91 PolarHBondContact NH2-OD1 3.07Å
78W97.7Very high95.8Very high77 Ų7752.5 Ų52.529%0.29227%0.266SS..EExtended strand (participates in β ladder)trans-161.3149.1-177.8-173.479.2000111.9V13 Y17 G80 V87 V89V13-W78 HydrophobicContact CB-CZ3 4.39Å; Y17-W78 HydrophobicContact CE2-CB 3.98Å; W78-G80 VanDerWaalsContact CH2-CA 3.44Å; W78-V87 HydrophobicContact CE3-CB 4.44Å; W78-V87 HydrophobicContact CE3-CG1 4.25Å; W78-V87 HydrophobicContact CZ3-CB 3.69Å; W78-V87 HydrophobicContact CZ3-CG1 3.79Å; W78-V87 HydrophobicContact CZ3-CG2 4.44Å; W78-V89 HydrophobicContact CB-CB 4.1Å; W78-V89 HydrophobicContact CB-CG2 4.15Å; W78-V89 HydrophobicContact CE3-CG2 3.93Å; W78-V89 PolarHBondContact N-O 3.04Å; W78-V89 PolarHBondContact O-N 3.41Å
79Y97.9Very high95.9Very high53 Ų5349.7 Ų49.721%0.20825%0.253CS..EExtended strand (participates in β ladder)trans-136.6138.2166171.1-89.5000108.3L57 L58 S61 V87 L88L57-Y79 HydrophobicContact CG-CE2 4.28Å; L58-Y79 WeakPolarHBondContact CB-OH 3.36Å; L58-Y79 HydrophobicContact CD1-CD1 4.45Å; L58-Y79 HydrophobicContact CD1-CE1 3.58Å; S61-Y79 VanDerWaalsContact CB-CD2 3.43Å; S61-Y79 WeakPolarHBondContact OG-CD2 3.49Å; Y79-V87 WeakPolarHBondContact CA-O 3.45Å; Y79-V87 VanDerWaalsContact CD2-O 3.29Å; Y79-V87 WeakPolarHBondContact CD2-O 3.44Å; Y79-L88 HydrophobicContact CD2-CB 4.32Å; Y79-L88 HydrophobicContact CD2-CD1 4.08Å
80G97Very high96.2Very high13 Ų1347 Ų4713%0.13422%0.221CC..EExtended strand (participates in β ladder)trans-177.7-165.5175.200000112.4W78 V87W78-G80 VanDerWaalsContact CH2-CA 3.44Å; G80-V87 PolarHBondContact N-O 3.41Å; G80-V87 PolarHBondContact O-N 2.83Å
81Q96.2Very high96.2Very high127 Ų12748 Ų4859%0.59322%0.224SC*.EExtended strand (participates in β ladder)trans-115.1136179-71.7174.9-5.100109Y85 N86Q81-Y85 WeakPolarHBondContact CA-O 3.36Å; Q81-N86 WeakPolarHBondContact CG-OD1 3.25Å; Q81-N86 PolarHBondContact NE2-OD1 3.26Å
82E95Very high96.3Very high55 Ų5545.3 Ų45.326%0.25721%0.207SC..EExtended strand (participates in β ladder)trans-137.8118.3175.7-165.572.2-117.700108.1F11 V13 G14 D84 Y85 V87F11-E82 HydrophobicContact CE1-CG 4.42Å; F11-E82 HydrophobicContact CZ-CG 4.45Å; V13-E82 HydrophobicContact CB-CB 4.5Å; V13-E82 HydrophobicContact CB-CG 4.44Å; V13-E82 HydrophobicContact CG1-CB 4.13Å; V13-E82 HydrophobicContact CG1-CG 4.07Å; G14-E82 PolarHBondContact N-OE2 3.02Å; E82-D84 PolarHBondContact O-N 3.11Å; E82-Y85 PolarHBondContact N-O 3.22Å; E82-Y85 PolarHBondContact O-N 3.28Å; E82-V87 HydrophobicContact CB-CG2 3.84Å
83K92.1Very high96.3Very high130 Ų13046.5 Ų46.557%0.56521%0.213SC*.THydrogen-bonded Turntrans51.7-127.7-171.3-52.1-179-169.9171.20110.7F11 Q50 Y85F11-K83 HydrophobicContact CD2-CD 4.39Å; F11-K83 HydrophobicContact CE2-CD 3.72Å; F11-K83 HydrophobicContact CZ-CD 4.38Å; Q50-K83 PolarHBondContact NE2-O 3.44Å; K83-Y85 VanDerWaalsContact C-N 3.29Å; K83-Y85 PolarHBondContact O-N 3.3Å
84D93.9Very high96.2Very high90 Ų9047.2 Ų47.248%0.48122%0.221SC..THydrogen-bonded Turntrans-87.717.1179.6-64.2-55.2000114.2Q50 E82Q50-D84 WeakPolarHBondContact CB-O 3.22Å; Q50-D84 WeakPolarHBondContact CG-O 3.49Å; Q50-D84 PolarHBondContact N-O 3.06Å; E82-D84 PolarHBondContact O-N 3.11Å
85Y96.3Very high96.2Very high91 Ų9150 Ų5036%0.35724%0.24SC..EExtended strand (participates in β ladder)trans-120.9142.4-175.3-63.1-87.9000112.5F11 L47 E48 Q50 Q81 E82 K83F11-Y85 HydrophobicContact CZ-CD2 4.23Å; L47-Y85 HydrophobicContact CB-CD1 4.11Å; E48-Y85 CarbonylContact O-C 3.58Å; E48-Y85 VanDerWaalsContact O-CA 3.28Å; E48-Y85 WeakPolarHBondContact O-CA 3.44Å; Q50-Y85 PolarHBondContact NE2-O 2.83Å; Q81-Y85 WeakPolarHBondContact CA-O 3.36Å; E82-Y85 PolarHBondContact N-O 3.22Å; E82-Y85 PolarHBondContact O-N 3.28Å; K83-Y85 VanDerWaalsContact C-N 3.29Å; K83-Y85 PolarHBondContact O-N 3.3Å
86N96.8Very high96.2Very high13 Ų1346.2 Ų46.27%0.0722%0.223CC..EExtended strand (participates in β ladder)trans-80.9138.9154-64-45.4000107.4E48 L57 Q81E48-N86 HydrophobicContact CB-CB 4.4Å; E48-N86 PolarHBondContact N-O 2.73Å; E48-N86 PolarHBondContact O-N 3.05Å; E48-N86 PolarHBondContact OE2-ND2 3.45Å; L57-N86 HydrophobicContact CB-CB 4.39Å; L57-N86 HydrophobicContact CD2-CB 3.99Å; L57-N86 VanDerWaalsContact CD2-O 3.32Å; L57-N86 WeakPolarHBondContact CD2-O 3.3Å; Q81-N86 WeakPolarHBondContact CG-OD1 3.25Å; Q81-N86 PolarHBondContact NE2-OD1 3.26Å
87V97.6Very high96.2Very high0 Ų045.1 Ų45.10%022%0.217CC..EExtended strand (participates in β ladder)trans-131.6132.5-171.1-174.30000109.9V13 V45 K46 L47 W78 Y79 G80 E82 V89V13-V87 HydrophobicContact CB-CG1 3.98Å; V13-V87 HydrophobicContact CG1-CG1 4.02Å; V13-V87 HydrophobicContact CG1-CG2 4.27Å; V13-V87 HydrophobicContact CG2-CG1 3.92Å; V45-V87 HydrophobicContact CG1-CG1 3.55Å; K46-V87 WeakPolarHBondContact O-CA 3.39Å; L47-V87 HydrophobicContact CD2-CB 4.08Å; L47-V87 HydrophobicContact CD2-CG1 3.84Å; L47-V87 HydrophobicContact CD2-CG2 3.5Å; L47-V87 VanDerWaalsContact CD2-CG2 3.5Å; W78-V87 HydrophobicContact CE3-CB 4.44Å; W78-V87 HydrophobicContact CE3-CG1 4.25Å; W78-V87 HydrophobicContact CZ3-CB 3.69Å; W78-V87 HydrophobicContact CZ3-CG1 3.79Å; W78-V87 HydrophobicContact CZ3-CG2 4.44Å; Y79-V87 WeakPolarHBondContact CA-O 3.45Å; Y79-V87 VanDerWaalsContact CD2-O 3.29Å; Y79-V87 WeakPolarHBondContact CD2-O 3.44Å; G80-V87 PolarHBondContact N-O 3.41Å; G80-V87 PolarHBondContact O-N 2.83Å; E82-V87 HydrophobicContact CB-CG2 3.84Å; V87-V89 HydrophobicContact CG1-CG2 4.32Å
88L97.6Very high96.3Very high0 Ų041.8 Ų41.80%021%0.206CC..EExtended strand (participates in β ladder)trans-126.7119.5173.8-17864.6000109.4V45 K46 L57 Y64 I76 Y79 M90V45-L88 WeakPolarHBondContact CA-O 3.43Å; K46-L88 HydrophobicContact CB-CB 4.37Å; K46-L88 PolarHBondContact N-O 2.68Å; K46-L88 PolarHBondContact O-N 3.32Å; L57-L88 HydrophobicContact CD1-CB 3.82Å; L57-L88 HydrophobicContact CD1-CD2 3.87Å; L57-L88 HydrophobicContact CD2-CB 4.03Å; L57-L88 HydrophobicContact CG-CB 3.98Å; Y64-L88 HydrophobicContact CD2-CD2 4.1Å; Y64-L88 HydrophobicContact CE2-CD2 4.12Å; I76-L88 HydrophobicContact CD1-CD1 3.98Å; I76-L88 HydrophobicContact CD1-CD2 4.3Å; I76-L88 HydrophobicContact CD1-CG 4.24Å; I76-L88 HydrophobicContact CG1-CD1 4.36Å; I76-L88 HydrophobicContact CG2-CD1 3.56Å; Y79-L88 HydrophobicContact CD2-CB 4.32Å; Y79-L88 HydrophobicContact CD2-CD1 4.08Å; L88-M90 HydrophobicContact CB-CE 4.31Å; L88-M90 HydrophobicContact CD2-CE 3.45Å; L88-M90 VanDerWaalsContact CD2-CE 3.45Å; L88-M90 HydrophobicContact CG-CE 3.66Å
89V97.8Very high96.2Very high0 Ų042.4 Ų42.40%022%0.215CC..EExtended strand (participates in β ladder)trans-103125.4177.9-173.60000108.7V13 Y17 V43 A44 V45 R77 W78 V87V13-V89 HydrophobicContact CG2-CG2 4.13Å; Y17-V89 HydrophobicContact CD1-CG1 3.98Å; Y17-V89 HydrophobicContact CD2-CG1 4.19Å; Y17-V89 HydrophobicContact CD2-CG2 3.85Å; Y17-V89 HydrophobicContact CE1-CG1 3.93Å; Y17-V89 HydrophobicContact CE2-CB 4.38Å; Y17-V89 HydrophobicContact CE2-CG1 4.12Å; Y17-V89 HydrophobicContact CE2-CG2 4.1Å; Y17-V89 HydrophobicContact CG-CG1 4.1Å; Y17-V89 HydrophobicContact CG-CG2 4.28Å; V43-V89 HydrophobicContact CB-CG1 4.01Å; V43-V89 HydrophobicContact CG1-CG1 4.49Å; V43-V89 HydrophobicContact CG2-CG1 3.69Å; A44-V89 WeakPolarHBondContact O-CA 3.43Å; V45-V89 HydrophobicContact CG1-CG2 4.47Å; V45-V89 HydrophobicContact CG2-CG1 4.35Å; V45-V89 HydrophobicContact CG2-CG2 4.14Å; R77-V89 HydrophobicContact CB-CB 4.3Å; R77-V89 HydrophobicContact CB-CG1 3.98Å; R77-V89 PolarHBondContact N-O 2.98Å; W78-V89 HydrophobicContact CB-CB 4.1Å; W78-V89 HydrophobicContact CB-CG2 4.15Å; W78-V89 HydrophobicContact CE3-CG2 3.93Å; W78-V89 PolarHBondContact N-O 3.04Å; W78-V89 PolarHBondContact O-N 3.41Å; V87-V89 HydrophobicContact CG1-CG2 4.32Å
90M97.1Very high96.1Very high19 Ų1942.2 Ų42.29%0.09422%0.217CC..EExtended strand (participates in β ladder)trans-141.1169.1-175.168.1-171.678.400111.8A44 K46 H75 I76 L88 L92A44-M90 HydrophobicContact CB-CG 3.94Å; A44-M90 PolarHBondContact N-O 3.29Å; A44-M90 PolarHBondContact O-N 3.48Å; K46-M90 HydrophobicContact CB-CE 4.06Å; K46-M90 HydrophobicContact CD-CE 4.5Å; H75-M90 CarbonylContact O-C 3.53Å; H75-M90 VanDerWaalsContact O-CA 3.25Å; H75-M90 WeakPolarHBondContact O-CA 3.43Å; I76-M90 HydrophobicContact CD1-CB 3.61Å; L88-M90 HydrophobicContact CB-CE 4.31Å; L88-M90 HydrophobicContact CD2-CE 3.45Å; L88-M90 VanDerWaalsContact CD2-CE 3.45Å; L88-M90 HydrophobicContact CG-CE 3.66Å; M90-L92 PolarHBondContact O-N 3.23Å
91D96Very high96.1Very high28 Ų2844 Ų4415%0.1522%0.221CC..EExtended strand (participates in β ladder)trans-50134172.8-69-23.5000110.8P74 H75 R77P74-D91 HydrophobicContact CB-CB 4.31Å; H75-D91 WeakPolarHBondContact CB-OD2 3.1Å; H75-D91 IonicContact CG-OD2 2.96Å; H75-D91 PolarHBondContact N-OD2 3.44Å; H75-D91 IonicContact ND1-OD2 3.95Å; H75-D91 PolarHBondContact ND1-OD2 3.48Å; H75-D91 PolarHBondContact O-N 2.99Å; R77-D91 IonicContact CZ-OD1 2.72Å; R77-D91 IonicContact NE-OD1 3.39Å; R77-D91 IonicContact NH1-OD1 3.85Å; R77-D91 PolarHBondContact NH1-OD1 3.35Å; R77-D91 IonicContact NH2-OD1 3.15Å; R77-D91 PolarHBondContact NH2-OD1 3.07Å
92L96.4Very high96.1Very high31 Ų3141.5 Ų41.516%0.16221%0.212CC..  trans-74129.2168.8-172.970.5000109I23 L33 E42 A44 M90 I146I23-L92 HydrophobicContact CD1-CD1 3.61Å; L33-L92 HydrophobicContact CD1-CD1 4.09Å; L33-L92 HydrophobicContact CD1-CD2 3.54Å; L33-L92 HydrophobicContact CD1-CG 4.44Å; E42-L92 HydrophobicContact CB-CD2 3.88Å; A44-L92 HydrophobicContact CB-CD1 3.98Å; M90-L92 PolarHBondContact O-N 3.23Å; L92-I146 HydrophobicContact CB-CD1 4.1Å; L92-I146 HydrophobicContact CD2-CD1 3.74Å; L92-I146 HydrophobicContact CG-CD1 3.61Å; L92-I146 WeakPolarHBondContact O-CD1 3.29Å
93L95.6Very high96.1Very high27 Ų2747 Ų4714%0.14124%0.235CC..  trans-112.1164.3178.9-60.5-177.5000111.7P74 L143 I146 F182 I184P74-L93 HydrophobicContact CG-CD1 3.86Å; L93-L143 HydrophobicContact CB-CB 4.06Å; L93-L143 HydrophobicContact CB-CD2 3.79Å; L93-L143 HydrophobicContact CD1-CB 3.83Å; L93-L143 HydrophobicContact CD1-CD2 4.06Å; L93-I146 WeakPolarHBondContact O-CD1 2.96Å; L93-F182 HydrophobicContact CD1-CB 3.71Å; L93-F182 HydrophobicContact CD1-CD1 4.43Å; L93-F182 HydrophobicContact CD1-CG 4.03Å; L93-F182 HydrophobicContact CD2-CB 4.49Å; L93-F182 HydrophobicContact CD2-CD1 3.98Å; L93-F182 HydrophobicContact CD2-CD2 3.99Å; L93-F182 HydrophobicContact CD2-CE1 4.16Å; L93-F182 HydrophobicContact CD2-CE2 4.19Å; L93-F182 HydrophobicContact CD2-CG 3.9Å; L93-F182 HydrophobicContact CD2-CZ 4.26Å; L93-I184 HydrophobicContact CD1-CG2 3.72Å
94G94.8Very high96.3Very high19 Ų1943.4 Ų43.420%0.19623%0.226CC..  trans-78.6-163.8176.600000112.9L143 M144 I146G94-L143 WeakPolarHBondContact O-CD2 3.36Å; G94-M144 VanDerWaalsContact CA-O 3.27Å; G94-M144 WeakPolarHBondContact CA-O 3.45Å; G94-M144 PolarHBondContact N-O 3.39Å; G94-I146 VanDerWaalsContact N-CG1 3.29Å
95P95.1Very high96.4Very high60 Ų6044.2 Ų44.239%0.3924%0.239SC..  trans-64.9152.6-176.627.8-35.2000112.5D99 L100 M144P95-D99 HydrophobicContact CB-CB 3.92Å; P95-L100 HydrophobicContact CB-CD2 4.28Å; P95-L100 HydrophobicContact CB-CG 4.18Å; P95-L100 HydrophobicContact CG-CD1 4.32Å; P95-L100 HydrophobicContact CG-CD2 3.73Å; P95-L100 HydrophobicContact CG-CG 3.95Å; P95-M144 PolarHBondContact O-N 3.21Å
96S96.5Very high96.5Very high8 Ų846.2 Ų46.26%0.05625%0.246CC..BIsolated β-bridgetrans-72.7166.1171.870.90000111.7E98 D99 L100 F142S96-E98 PolarHBondContact O-N 2.98Å; S96-E98 PolarHBondContact OG-N 2.76Å; S96-D99 WeakPolarHBondContact CB-OD2 3.49Å; S96-D99 PolarHBondContact N-OD2 2.96Å; S96-D99 PolarHBondContact O-N 2.81Å; S96-D99 PolarHBondContact OG-N 2.82Å; S96-D99 VanDerWaalsContact OG-N 3.11Å; S96-D99 PolarHBondContact OG-OD2 2.83Å; S96-L100 WeakPolarHBondContact O-CG 3.39Å; S96-L100 PolarHBondContact O-N 3.07Å; S96-F142 CarbonylContact C-O 3.49Å; S96-F142 VanDerWaalsContact CA-O 3.27Å; S96-F142 WeakPolarHBondContact CA-O 3.23Å
97L97.3Very high96.5Very high9 Ų954.4 Ų54.45%0.04728%0.276CS..Hα-helixtrans-65-29171.8-65.3-172.8000112.1L100 F101 L116 M120 P139 F142 M144 L181L97-L100 HydrophobicContact CD2-CD1 4.28Å; L97-F101 WeakPolarHBondContact O-CB 3.31Å; L97-F101 PolarHBondContact O-N 3.01Å; L97-L116 HydrophobicContact CD1-CD1 4.27Å; L97-L116 HydrophobicContact CD1-CD2 4.4Å; L97-L116 HydrophobicContact CD2-CD1 3.93Å; L97-L116 HydrophobicContact CD2-CD2 3.76Å; L97-L116 HydrophobicContact CD2-CG 4.49Å; L97-M120 HydrophobicContact CD1-SD 3.94Å; L97-P139 HydrophobicContact CB-CB 4.03Å; L97-P139 PolarHBondContact N-O 3.5Å; L97-F142 HydrophobicContact CB-CB 4.48Å; L97-F142 HydrophobicContact CD1-CB 3.6Å; L97-F142 HydrophobicContact CD1-CG 4.25Å; L97-F142 HydrophobicContact CG-CB 3.73Å; L97-F142 PolarHBondContact N-O 2.65Å; L97-M144 HydrophobicContact CD2-SD 4.42Å; L97-L181 HydrophobicContact CD1-CD1 4.17Å; L97-L181 HydrophobicContact CD1-CD2 4.36Å; L97-L181 HydrophobicContact CD2-CD1 3.81Å; L97-L181 HydrophobicContact CG-CD1 4.03Å
98E97.1Very high96.5Very high27 Ų2756.5 Ų56.513%0.12629%0.285CS..Hα-helixtrans-66.4-44173.2-172.760.4-152.100110.8S96 L100 F101 N102 R106 P139S96-E98 PolarHBondContact O-N 2.98Å; S96-E98 PolarHBondContact OG-N 2.76Å; E98-L100 PolarHBondContact O-N 3.01Å; E98-F101 PolarHBondContact O-N 3.29Å; E98-N102 WeakPolarHBondContact O-CB 3.43Å; E98-N102 PolarHBondContact O-N 2.91Å; E98-N102 PolarHBondContact O-ND2 2.84Å; E98-N102 PolarHBondContact OE1-ND2 3.27Å; E98-R106 IonicContact OE1-NH1 3.3Å; E98-R106 PolarHBondContact OE1-NH1 3.3Å; E98-R106 VanDerWaalsContact OE1-NH1 3.15Å; E98-P139 HydrophobicContact CB-CB 4.03Å
99D95.8Very high96.5Very high90 Ų9060 Ų6048%0.48131%0.306SS..Hα-helixtrans-60.4-46.7176.6-61.3-47000111.1P95 S96 F101 N102 F103P95-D99 HydrophobicContact CB-CB 3.92Å; S96-D99 WeakPolarHBondContact CB-OD2 3.49Å; S96-D99 PolarHBondContact N-OD2 2.96Å; S96-D99 PolarHBondContact O-N 2.81Å; S96-D99 PolarHBondContact OG-N 2.82Å; S96-D99 VanDerWaalsContact OG-N 3.11Å; S96-D99 PolarHBondContact OG-OD2 2.83Å; D99-F101 VanDerWaalsContact C-N 3.33Å; D99-F101 PolarHBondContact O-N 3.28Å; D99-N102 PolarHBondContact O-N 2.9Å; D99-F103 WeakPolarHBondContact O-CB 3.23Å; D99-F103 PolarHBondContact O-N 2.9Å
100L96Very high96.5Very high49 Ų4966.3 Ų66.326%0.25734%0.337SS..Hα-helixtrans-66.1-35.8177.7-69.5175.8000112.2P95 S96 L97 E98 F103 C104 F108 M144P95-L100 HydrophobicContact CB-CD2 4.28Å; P95-L100 HydrophobicContact CB-CG 4.18Å; P95-L100 HydrophobicContact CG-CD1 4.32Å; P95-L100 HydrophobicContact CG-CD2 3.73Å; P95-L100 HydrophobicContact CG-CG 3.95Å; S96-L100 WeakPolarHBondContact O-CG 3.39Å; S96-L100 PolarHBondContact O-N 3.07Å; L97-L100 HydrophobicContact CD2-CD1 4.28Å; E98-L100 PolarHBondContact O-N 3.01Å; L100-F103 PolarHBondContact O-N 3.09Å; L100-C104 WeakPolarHBondContact O-CB 3.49Å; L100-C104 PolarHBondContact O-N 2.78Å; L100-C104 PolarHBondContact O-SG 3.31Å; L100-F108 HydrophobicContact CB-CE1 4.4Å; L100-F108 HydrophobicContact CB-CZ 3.98Å; L100-M144 HydrophobicContact CD1-CG 3.53Å
101F96.9Very high96.5Very high52 Ų5272.8 Ų72.823%0.22837%0.365CS..Hα-helixtrans-65.3-45176.7-174.4-118.9000110.5L97 E98 D99 C104 R106 F108L97-F101 WeakPolarHBondContact O-CB 3.31Å; L97-F101 PolarHBondContact O-N 3.01Å; E98-F101 PolarHBondContact O-N 3.29Å; D99-F101 VanDerWaalsContact C-N 3.33Å; D99-F101 PolarHBondContact O-N 3.28Å; F101-C104 CarbonylContact O-C 3.52Å; F101-C104 PolarHBondContact O-N 3.25Å; F101-R106 HydrophobicContact CD1-CB 4.09Å; F101-R106 HydrophobicContact CD1-CG 4.24Å; F101-R106 HydrophobicContact CE1-CB 3.62Å; F101-R106 HydrophobicContact CE1-CG 4.14Å; F101-R106 VanDerWaalsContact CE2-O 3.23Å; F101-R106 WeakPolarHBondContact CE2-O 3.34Å; F101-R106 HydrophobicContact CZ-CB 3.89Å; F101-R106 WeakPolarHBondContact CZ-O 3.46Å; F101-R106 WeakPolarHBondContact O-CA 3.15Å; F101-R106 PolarHBondContact O-N 3.11Å; F101-F108 VanDerWaalsContact CA-CZ 3.41Å; F101-F108 HydrophobicContact CB-CE1 4.35Å; F101-F108 HydrophobicContact CB-CE2 3.95Å; F101-F108 HydrophobicContact CB-CZ 3.73Å; F101-F108 HydrophobicContact CD2-CD1 4.27Å; F101-F108 AromaticContact CD2-CD2 3.8Å; F101-F108 HydrophobicContact CD2-CD2 3.8Å; F101-F108 HydrophobicContact CD2-CE1 4.31Å; F101-F108 AromaticContact CD2-CE2 3.84Å; F101-F108 HydrophobicContact CD2-CE2 3.84Å; F101-F108 HydrophobicContact CD2-CG 4.03Å; F101-F108 HydrophobicContact CD2-CZ 4.1Å; F101-F108 HydrophobicContact CE2-CD2 4.47Å; F101-F108 HydrophobicContact CG-CE2 4.36Å; F101-F108 HydrophobicContact CG-CZ 4.45Å; F101-F108 VanDerWaalsContact N-CZ 3.34Å
102N96.4Very high96.5Very high73 Ų7373.9 Ų73.939%0.3937%0.373SS..Hα-helixtrans-63-42.5174.5-71.2-42.2000112E98 D99 C104 S105 R106E98-N102 WeakPolarHBondContact O-CB 3.43Å; E98-N102 PolarHBondContact O-N 2.91Å; E98-N102 PolarHBondContact O-ND2 2.84Å; E98-N102 PolarHBondContact OE1-ND2 3.27Å; D99-N102 PolarHBondContact O-N 2.9Å; N102-C104 VanDerWaalsContact C-N 3.27Å; N102-C104 PolarHBondContact O-N 3.29Å; N102-S105 PolarHBondContact O-N 2.85Å; N102-R106 WeakPolarHBondContact OD1-CG 3.43Å; N102-R106 PolarHBondContact OD1-NH1 3.41Å
103F95.6Very high96.6Very high171 Ų17175.4 Ų75.475%0.7538%0.383SS*.Hα-helixtrans-57.2-40.1173.7179.1-96.3000112.4D99 L100 S105D99-F103 WeakPolarHBondContact O-CB 3.23Å; D99-F103 PolarHBondContact O-N 2.9Å; L100-F103 PolarHBondContact O-N 3.09Å; F103-S105 PolarHBondContact O-N 3.5Å; F103-S105 VanDerWaalsContact O-N 3.14Å
104C95.3Very high96.7Very high55 Ų5579.3 Ų79.337%0.37240%0.404SS..THydrogen-bonded Turntrans-81.123.5176-690000113.6L100 F101 N102 R106 R107 F108L100-C104 WeakPolarHBondContact O-CB 3.49Å; L100-C104 PolarHBondContact O-N 2.78Å; L100-C104 PolarHBondContact O-SG 3.31Å; F101-C104 CarbonylContact O-C 3.52Å; F101-C104 PolarHBondContact O-N 3.25Å; N102-C104 VanDerWaalsContact C-N 3.27Å; N102-C104 PolarHBondContact O-N 3.29Å; C104-R106 PolarHBondContact O-N 2.9Å; C104-R107 WeakPolarHBondContact CB-O 3.27Å; C104-R107 PolarHBondContact O-N 3.19Å; C104-F108 HydrophobicContact CB-CD1 3.97Å; C104-F108 HydrophobicContact CB-CE1 3.89Å
105S96.9Very high96.7Very high107 Ų10783.9 Ų83.975%0.74842%0.421SS*.THydrogen-bonded Turntrans54.739.5-178.6-55.70000112.8N102 F103 R107N102-S105 PolarHBondContact O-N 2.85Å; F103-S105 PolarHBondContact O-N 3.5Å; F103-S105 VanDerWaalsContact O-N 3.14Å; S105-R107 VanDerWaalsContact C-N 3.25Å; S105-R107 PolarHBondContact O-N 2.82Å
106R97.2Very high96.8Very high133 Ų13381.9 Ų81.950%0.50241%0.407SS..THydrogen-bonded Turntrans58.236.4178.9-55.5-177.36170.72.9113E98 F101 N102 C104E98-R106 IonicContact OE1-NH1 3.3Å; E98-R106 PolarHBondContact OE1-NH1 3.3Å; E98-R106 VanDerWaalsContact OE1-NH1 3.15Å; F101-R106 HydrophobicContact CD1-CB 4.09Å; F101-R106 HydrophobicContact CD1-CG 4.24Å; F101-R106 HydrophobicContact CE1-CB 3.62Å; F101-R106 HydrophobicContact CE1-CG 4.14Å; F101-R106 VanDerWaalsContact CE2-O 3.23Å; F101-R106 WeakPolarHBondContact CE2-O 3.34Å; F101-R106 HydrophobicContact CZ-CB 3.89Å; F101-R106 WeakPolarHBondContact CZ-O 3.46Å; F101-R106 WeakPolarHBondContact O-CA 3.15Å; F101-R106 PolarHBondContact O-N 3.11Å; N102-R106 WeakPolarHBondContact OD1-CG 3.43Å; N102-R106 PolarHBondContact OD1-NH1 3.41Å; C104-R106 PolarHBondContact O-N 2.9Å
107R97.2Very high96.9Very high185 Ų18583 Ų8370%0.69842%0.417SS*.  trans-145119.6175.8-156.417895.794.8-4.1111.7C104 S105C104-R107 WeakPolarHBondContact CB-O 3.27Å; C104-R107 PolarHBondContact O-N 3.19Å; S105-R107 VanDerWaalsContact C-N 3.25Å; S105-R107 PolarHBondContact O-N 2.82Å
108F97.4Very high96.9Very high43 Ų4387.8 Ų87.819%0.18944%0.443CS..  trans-99.3151.1165.5-68.9-31.6000111.1L100 F101 C104 T112 V113 L116L100-F108 HydrophobicContact CB-CE1 4.4Å; L100-F108 HydrophobicContact CB-CZ 3.98Å; F101-F108 VanDerWaalsContact CA-CZ 3.41Å; F101-F108 HydrophobicContact CB-CE1 4.35Å; F101-F108 HydrophobicContact CB-CE2 3.95Å; F101-F108 HydrophobicContact CB-CZ 3.73Å; F101-F108 HydrophobicContact CD2-CD1 4.27Å; F101-F108 AromaticContact CD2-CD2 3.8Å; F101-F108 HydrophobicContact CD2-CD2 3.8Å; F101-F108 HydrophobicContact CD2-CE1 4.31Å; F101-F108 AromaticContact CD2-CE2 3.84Å; F101-F108 HydrophobicContact CD2-CE2 3.84Å; F101-F108 HydrophobicContact CD2-CG 4.03Å; F101-F108 HydrophobicContact CD2-CZ 4.1Å; F101-F108 HydrophobicContact CE2-CD2 4.47Å; F101-F108 HydrophobicContact CG-CE2 4.36Å; F101-F108 HydrophobicContact CG-CZ 4.45Å; F101-F108 VanDerWaalsContact N-CZ 3.34Å; C104-F108 HydrophobicContact CB-CD1 3.97Å; C104-F108 HydrophobicContact CB-CE1 3.89Å; F108-T112 HydrophobicContact CB-CG2 4.22Å; F108-T112 HydrophobicContact CD1-CG2 4.21Å; F108-T112 HydrophobicContact CG-CG2 4.08Å; F108-V113 HydrophobicContact CB-CG2 3.84Å; F108-L116 HydrophobicContact CD2-CD1 4.25Å; F108-L116 HydrophobicContact CE2-CD1 4.07Å
109T97.9Very high96.9Very high73 Ų7388.4 Ų88.445%0.44845%0.445SS..  trans-76.4158.3171.2730000110.2K111 T112 V113T109-K111 VanDerWaalsContact C-N 3.27Å; T109-K111 PolarHBondContact O-N 3.3Å; T109-T112 WeakPolarHBondContact O-CB 3.44Å; T109-T112 PolarHBondContact O-N 2.84Å; T109-T112 VanDerWaalsContact O-N 3.09Å; T109-T112 PolarHBondContact OG1-N 3.23Å; T109-T112 PolarHBondContact OG1-OG1 3.25Å; T109-V113 WeakPolarHBondContact O-CG2 3.38Å; T109-V113 PolarHBondContact O-N 3.15Å
110M97.6Very high97.1Very high134 Ų13486.5 Ų86.566%0.6643%0.434SS*.Hα-helixtrans-57.8-40.6176.9-172.45464.800112.2T112 V113 L114M110-T112 VanDerWaalsContact C-N 3.33Å; M110-T112 PolarHBondContact O-N 3.21Å; M110-V113 PolarHBondContact O-N 2.88Å; M110-L114 HydrophobicContact CG-CD1 3.97Å; M110-L114 HydrophobicContact CG-CG 4.31Å; M110-L114 WeakPolarHBondContact O-CG 3.29Å; M110-L114 PolarHBondContact O-N 2.65Å; M110-L114 HydrophobicContact SD-CD1 4.31Å; M110-L114 HydrophobicContact SD-CD2 4.49Å; M110-L114 HydrophobicContact SD-CG 4.09Å
111K96.8Very high97.2Very high154 Ų15489.6 Ų89.667%0.6745%0.45SS*.Hα-helixtrans-56-48174.9-179.2178178.3177.70111.5T109 L114 M115T109-K111 VanDerWaalsContact C-N 3.27Å; T109-K111 PolarHBondContact O-N 3.3Å; K111-L114 PolarHBondContact O-N 3.16Å; K111-M115 HydrophobicContact CG-SD 4.11Å; K111-M115 WeakPolarHBondContact O-CB 3.41Å; K111-M115 VanDerWaalsContact O-CG 3.29Å; K111-M115 WeakPolarHBondContact O-CG 3.47Å; K111-M115 PolarHBondContact O-N 3.07Å
112T95.9Very high97.3Very high52 Ų5289.1 Ų89.132%0.31945%0.453SS..Hα-helixtrans-61.8-46.1177.7-53.60000111.4F108 T109 M110 L114 M115 L116F108-T112 HydrophobicContact CB-CG2 4.22Å; F108-T112 HydrophobicContact CD1-CG2 4.21Å; F108-T112 HydrophobicContact CG-CG2 4.08Å; T109-T112 WeakPolarHBondContact O-CB 3.44Å; T109-T112 PolarHBondContact O-N 2.84Å; T109-T112 VanDerWaalsContact O-N 3.09Å; T109-T112 PolarHBondContact OG1-N 3.23Å; T109-T112 PolarHBondContact OG1-OG1 3.25Å; M110-T112 VanDerWaalsContact C-N 3.33Å; M110-T112 PolarHBondContact O-N 3.21Å; T112-L114 PolarHBondContact O-N 3.1Å; T112-M115 PolarHBondContact O-N 3.01Å; T112-L116 HydrophobicContact CG2-CD1 3.94Å; T112-L116 HydrophobicContact CG2-CG 4.41Å; T112-L116 WeakPolarHBondContact O-CB 3.24Å; T112-L116 VanDerWaalsContact O-CG 3.3Å; T112-L116 WeakPolarHBondContact O-CG 3.39Å; T112-L116 PolarHBondContact O-N 3.03Å
113V98.1Very high97.4Very high63 Ų6386.9 Ų86.938%0.38244%0.439SS..Hα-helixtrans-59.8-46.3179.6173.10000111.1F108 T109 M110 L116 A117F108-V113 HydrophobicContact CB-CG2 3.84Å; T109-V113 WeakPolarHBondContact O-CG2 3.38Å; T109-V113 PolarHBondContact O-N 3.15Å; M110-V113 PolarHBondContact O-N 2.88Å; V113-L116 PolarHBondContact O-N 3.23Å; V113-A117 VanDerWaalsContact O-CB 3.27Å; V113-A117 WeakPolarHBondContact O-CB 3.44Å; V113-A117 PolarHBondContact O-N 2.83Å
114L97.7Very high97.5Very high109 Ų10980.8 Ų80.857%0.57141%0.414SS*.Hα-helixtrans-65.5-42.4179.8-68172000112.3M110 K111 T112 L116 A117 D118M110-L114 HydrophobicContact CG-CD1 3.97Å; M110-L114 HydrophobicContact CG-CG 4.31Å; M110-L114 WeakPolarHBondContact O-CG 3.29Å; M110-L114 PolarHBondContact O-N 2.65Å; M110-L114 HydrophobicContact SD-CD1 4.31Å; M110-L114 HydrophobicContact SD-CD2 4.49Å; M110-L114 HydrophobicContact SD-CG 4.09Å; K111-L114 PolarHBondContact O-N 3.16Å; T112-L114 PolarHBondContact O-N 3.1Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 2.84Å; L114-A117 PolarHBondContact O-N 3.06Å; L114-D118 PolarHBondContact O-N 3.44Å
115M96.3Very high97.7Very high114 Ų11483.8 Ų83.856%0.56242%0.422SS*.Hα-helixtrans-63.1-37.9175.9-72.4-179.868.100112.4K111 T112K111-M115 HydrophobicContact CG-SD 4.11Å; K111-M115 WeakPolarHBondContact O-CB 3.41Å; K111-M115 VanDerWaalsContact O-CG 3.29Å; K111-M115 WeakPolarHBondContact O-CG 3.47Å; K111-M115 PolarHBondContact O-N 3.07Å; T112-M115 PolarHBondContact O-N 3.01Å
116L97.4Very high97.7Very high19 Ų1980.7 Ų80.710%0.09940%0.395CS..Hα-helixtrans-71.4-42.3175.1-69.8174000111.1L97 F108 T112 V113 L114 D118 Q119 M120 L181L97-L116 HydrophobicContact CD1-CD1 4.27Å; L97-L116 HydrophobicContact CD1-CD2 4.4Å; L97-L116 HydrophobicContact CD2-CD1 3.93Å; L97-L116 HydrophobicContact CD2-CD2 3.76Å; L97-L116 HydrophobicContact CD2-CG 4.49Å; F108-L116 HydrophobicContact CD2-CD1 4.25Å; F108-L116 HydrophobicContact CE2-CD1 4.07Å; T112-L116 HydrophobicContact CG2-CD1 3.94Å; T112-L116 HydrophobicContact CG2-CG 4.41Å; T112-L116 WeakPolarHBondContact O-CB 3.24Å; T112-L116 VanDerWaalsContact O-CG 3.3Å; T112-L116 WeakPolarHBondContact O-CG 3.39Å; T112-L116 PolarHBondContact O-N 3.03Å; V113-L116 PolarHBondContact O-N 3.23Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 2.84Å; L116-D118 VanDerWaalsContact C-N 3.35Å; L116-D118 PolarHBondContact O-N 2.94Å; L116-Q119 PolarHBondContact O-N 3.19Å; L116-M120 HydrophobicContact CB-CE 3.96Å; L116-M120 WeakPolarHBondContact O-CB 3.5Å; L116-M120 VanDerWaalsContact O-CG 3.25Å; L116-M120 WeakPolarHBondContact O-CG 3.27Å; L116-M120 PolarHBondContact O-N 3.31Å; L116-L181 HydrophobicContact CD2-CD1 4.29Å
117A98.4Very high97.8Very high31 Ų3174.4 Ų74.426%0.25637%0.371SS..Hα-helixtrans-58.6-45.5-179.200000112V113 L114 Q119 M120 I121V113-A117 VanDerWaalsContact O-CB 3.27Å; V113-A117 WeakPolarHBondContact O-CB 3.44Å; V113-A117 PolarHBondContact O-N 2.83Å; L114-A117 PolarHBondContact O-N 3.06Å; A117-Q119 PolarHBondContact O-N 3.19Å; A117-M120 HydrophobicContact CB-CE 4.36Å; A117-M120 PolarHBondContact O-N 2.85Å; A117-I121 VanDerWaalsContact O-CG1 3.27Å; A117-I121 WeakPolarHBondContact O-CG1 3.45Å; A117-I121 PolarHBondContact O-N 3.28Å
118D97Very high97.9Very high110 Ų11068.9 Ų68.959%0.58835%0.353SS*.Hα-helixtrans-51.9-53.7174-179.573.8000111.4L114 L116 M120 I121 S122L114-D118 PolarHBondContact O-N 3.44Å; L116-D118 VanDerWaalsContact C-N 3.35Å; L116-D118 PolarHBondContact O-N 2.94Å; D118-M120 PolarHBondContact O-N 3.02Å; D118-I121 PolarHBondContact O-N 3.4Å; D118-S122 PolarHBondContact O-N 2.87Å; D118-S122 PolarHBondContact O-OG 3.33Å
119Q97.7Very high97.9Very high39 Ų3970 Ų7018%0.18236%0.364CS..Hα-helixtrans-67.3-39179.8-66.2-166.859.300113.6L116 A117 S122 R123 N179 L181L116-Q119 PolarHBondContact O-N 3.19Å; A117-Q119 PolarHBondContact O-N 3.19Å; Q119-S122 PolarHBondContact O-N 3.37Å; Q119-R123 VanDerWaalsContact O-CG 3.3Å; Q119-R123 WeakPolarHBondContact O-CG 3.35Å; Q119-R123 PolarHBondContact O-N 3.33Å; Q119-R123 PolarHBondContact O-NE 2.67Å; Q119-R123 VanDerWaalsContact O-NE 3.07Å; Q119-N179 PolarHBondContact NE2-O 3.08Å; Q119-N179 PolarHBondContact OE1-O 3.31Å; Q119-L181 HydrophobicContact CB-CB 4.03Å; Q119-L181 HydrophobicContact CB-CD2 4.22Å
120M98.5Very high97.9Very high50 Ų5069.9 Ų69.925%0.24636%0.357CS..Hα-helixtrans-62-44.3179.3-75.7-174-68.700111L97 L116 A117 D118 R123 I124 F142 L181L97-M120 HydrophobicContact CD1-SD 3.94Å; L116-M120 HydrophobicContact CB-CE 3.96Å; L116-M120 WeakPolarHBondContact O-CB 3.5Å; L116-M120 VanDerWaalsContact O-CG 3.25Å; L116-M120 WeakPolarHBondContact O-CG 3.27Å; L116-M120 PolarHBondContact O-N 3.31Å; A117-M120 HydrophobicContact CB-CE 4.36Å; A117-M120 PolarHBondContact O-N 2.85Å; D118-M120 PolarHBondContact O-N 3.02Å; M120-R123 PolarHBondContact O-N 2.85Å; M120-I124 WeakPolarHBondContact O-CG1 3.41Å; M120-I124 PolarHBondContact O-N 2.96Å; M120-I124 VanDerWaalsContact O-N 3.07Å; M120-F142 HydrophobicContact CB-CE1 4.07Å; M120-F142 HydrophobicContact CB-CZ 4.23Å; M120-F142 HydrophobicContact CG-CD1 3.89Å; M120-F142 HydrophobicContact CG-CE1 3.73Å; M120-F142 HydrophobicContact CG-CE2 4.4Å; M120-F142 HydrophobicContact CG-CG 4.28Å; M120-F142 HydrophobicContact CG-CZ 4Å; M120-F142 HydrophobicContact SD-CD2 4.21Å; M120-F142 HydrophobicContact SD-CE2 4.18Å; M120-F142 HydrophobicContact SD-CG 4.41Å; M120-F142 HydrophobicContact SD-CZ 4.34Å; M120-L181 HydrophobicContact CB-CD2 4.43Å; M120-L181 HydrophobicContact CG-CD2 3.39Å
121I98.5Very high97.9Very high115 Ų11563.8 Ų63.859%0.5933%0.327SS*.Hα-helixtrans-60-48.2176.5-68.8165.1000109.7A117 D118 R123 I124 E125A117-I121 VanDerWaalsContact O-CG1 3.27Å; A117-I121 WeakPolarHBondContact O-CG1 3.45Å; A117-I121 PolarHBondContact O-N 3.28Å; D118-I121 PolarHBondContact O-N 3.4Å; I121-R123 VanDerWaalsContact C-N 3.29Å; I121-R123 PolarHBondContact O-N 2.99Å; I121-I124 PolarHBondContact O-N 3.39Å; I121-E125 WeakPolarHBondContact O-CB 3.43Å; I121-E125 PolarHBondContact O-N 2.82Å
122S98.3Very high98Very high41 Ų4157.4 Ų57.429%0.28730%0.299SS..Hα-helixtrans-61-35.1177.6-53.20000113.1D118 Q119 Y126D118-S122 PolarHBondContact O-N 2.87Å; D118-S122 PolarHBondContact O-OG 3.33Å; Q119-S122 PolarHBondContact O-N 3.37Å; S122-Y126 WeakPolarHBondContact O-CB 3.49Å; S122-Y126 PolarHBondContact O-N 3.14Å
123R98.5Very high98.1Very high26 Ų2655.6 Ų55.610%0.09829%0.287CS..Hα-helixtrans-63.9-47.6175.6-62.4-37.3101.5-162.110.8111.2V71 Q119 M120 I121 Y126 V127 F142 L181 L183V71-R123 VanDerWaalsContact CB-NH1 3.29Å; V71-R123 VanDerWaalsContact CG1-NH1 3.34Å; V71-R123 PolarHBondContact O-NH1 3.27Å; Q119-R123 VanDerWaalsContact O-CG 3.3Å; Q119-R123 WeakPolarHBondContact O-CG 3.35Å; Q119-R123 PolarHBondContact O-N 3.33Å; Q119-R123 PolarHBondContact O-NE 2.67Å; Q119-R123 VanDerWaalsContact O-NE 3.07Å; M120-R123 PolarHBondContact O-N 2.85Å; I121-R123 VanDerWaalsContact C-N 3.29Å; I121-R123 PolarHBondContact O-N 2.99Å; R123-Y126 PolarHBondContact O-N 3.25Å; R123-V127 WeakPolarHBondContact O-CG2 3.4Å; R123-V127 PolarHBondContact O-N 3.27Å; R123-F142 HydrophobicContact CB-CE1 4.34Å; R123-F142 HydrophobicContact CG-CE1 4.44Å; R123-L181 WeakPolarHBondContact CD-O 3.26Å; R123-L183 HydrophobicContact CB-CB 3.93Å; R123-L183 HydrophobicContact CB-CD2 4.09Å; R123-L183 HydrophobicContact CG-CB 4.2Å
124I98.6Very high98.1Very high43 Ų4352.9 Ų52.922%0.22127%0.27CS..Hα-helixtrans-66.1-45.1-178.8-66.1168000110.2M120 I121 Y126 V127 H128 I137 F142 L183M120-I124 WeakPolarHBondContact O-CG1 3.41Å; M120-I124 PolarHBondContact O-N 2.96Å; M120-I124 VanDerWaalsContact O-N 3.07Å; I121-I124 PolarHBondContact O-N 3.39Å; I124-Y126 VanDerWaalsContact C-N 3.32Å; I124-Y126 PolarHBondContact O-N 2.87Å; I124-V127 PolarHBondContact O-N 2.99Å; I124-H128 VanDerWaalsContact CG2-CE1 3.43Å; I124-H128 WeakPolarHBondContact CG2-CE1 3.44Å; I124-H128 WeakPolarHBondContact CG2-NE2 3.43Å; I124-H128 PolarHBondContact O-CD2 3.48Å; I124-H128 VanDerWaalsContact O-CD2 3.29Å; I124-H128 PolarHBondContact O-N 3.05Å; I124-I137 HydrophobicContact CD1-CD1 4.03Å; I124-I137 HydrophobicContact CD1-CG1 4.41Å; I124-I137 HydrophobicContact CD1-CG2 4.46Å; I124-I137 HydrophobicContact CG1-CD1 4.02Å; I124-F142 HydrophobicContact CD1-CZ 4.36Å; I124-F142 HydrophobicContact CG1-CZ 4.48Å; I124-L183 HydrophobicContact CG1-CD2 4.47Å
125E98.6Very high98Very high118 Ų11850.5 Ų50.555%0.55125%0.254SS*.Hα-helixtrans-54.8-48.7176.2-178.1-176.7-167.800111.1I121 V127 H128 T129I121-E125 WeakPolarHBondContact O-CB 3.43Å; I121-E125 PolarHBondContact O-N 2.82Å; E125-V127 VanDerWaalsContact C-N 3.32Å; E125-V127 PolarHBondContact O-N 3.5Å; E125-H128 CarbonylContact O-C 3.48Å; E125-H128 WeakPolarHBondContact O-CA 3.29Å; E125-H128 WeakPolarHBondContact O-CB 3.33Å; E125-H128 PolarHBondContact O-N 3.06Å; E125-T129 HydrophobicContact CG-CG2 4.39Å; E125-T129 VanDerWaalsContact O-CG2 3.24Å; E125-T129 WeakPolarHBondContact O-CG2 3.24Å; E125-T129 PolarHBondContact O-N 3.33Å
126Y98.6Very high98Very high43 Ų4345.3 Ų45.317%0.16923%0.228CC..Hα-helixtrans-56.2-45.9178.3178.5-102.4000112.1L67 Q68 G70 I73 S122 R123 I124 H128 T129 K130L67-Y126 HydrophobicContact CB-CE1 4.39Å; L67-Y126 HydrophobicContact CD2-CE1 4.34Å; L67-Y126 VanDerWaalsContact O-CE1 3.29Å; L67-Y126 WeakPolarHBondContact O-CE1 3.42Å; L67-Y126 PolarHBondContact O-OH 2.74Å; Q68-Y126 PolarHBondContact O-OH 2.81Å; G70-Y126 VanDerWaalsContact CA-CE1 3.47Å; G70-Y126 VanDerWaalsContact CA-OH 3.3Å; G70-Y126 WeakPolarHBondContact CA-OH 3.18Å; G70-Y126 PolarHBondContact N-OH 3.08Å; G70-Y126 VanDerWaalsContact N-OH 3.09Å; I73-Y126 HydrophobicContact CD1-CD1 4.29Å; I73-Y126 HydrophobicContact CD1-CE1 4.47Å; I73-Y126 HydrophobicContact CG1-CD1 3.95Å; I73-Y126 HydrophobicContact CG1-CE1 3.81Å; S122-Y126 WeakPolarHBondContact O-CB 3.49Å; S122-Y126 PolarHBondContact O-N 3.14Å; R123-Y126 PolarHBondContact O-N 3.25Å; I124-Y126 VanDerWaalsContact C-N 3.32Å; I124-Y126 PolarHBondContact O-N 2.87Å; Y126-H128 VanDerWaalsContact C-N 3.29Å; Y126-H128 PolarHBondContact O-N 3.29Å; Y126-T129 PolarHBondContact O-N 3.41Å; Y126-T129 PolarHBondContact O-OG1 2.82Å; Y126-K130 HydrophobicContact CE1-CG 4.39Å; Y126-K130 VanDerWaalsContact CZ-CE 3.44Å; Y126-K130 PolarHBondContact O-N 3.36Å; Y126-K130 WeakPolarHBondContact OH-CE 3.3Å
127V98.5Very high98.1Very high1 Ų147.5 Ų47.51%0.00624%0.24CC..Hα-helixtrans-60.2-40.5176.1177.90000111.2L67 R123 I124 E125 K130 F132 L183 F186L67-V127 HydrophobicContact CD2-CG2 4.5Å; R123-V127 WeakPolarHBondContact O-CG2 3.4Å; R123-V127 PolarHBondContact O-N 3.27Å; I124-V127 PolarHBondContact O-N 2.99Å; E125-V127 VanDerWaalsContact C-N 3.32Å; E125-V127 PolarHBondContact O-N 3.5Å; V127-K130 WeakPolarHBondContact O-CB 3.27Å; V127-K130 PolarHBondContact O-N 2.76Å; V127-F132 CarbonylContact C-O 3.45Å; V127-F132 HydrophobicContact CG1-CB 3.93Å; V127-F132 PolarHBondContact O-N 3.29Å; V127-L183 HydrophobicContact CG2-CD2 4.09Å; V127-F186 HydrophobicContact CG1-CE1 4.46Å; V127-F186 HydrophobicContact CG2-CE1 3.78Å; V127-F186 HydrophobicContact CG2-CZ 4.35Å
128H98.4Very high98Very high69 Ų6947.4 Ų47.432%0.31923%0.233SC..Hα-helixtrans-66.9-36.7177-65.5-175.5000112.5I124 E125 Y126 K130 N131 F132 Y192 R193I124-H128 VanDerWaalsContact CG2-CE1 3.43Å; I124-H128 WeakPolarHBondContact CG2-CE1 3.44Å; I124-H128 WeakPolarHBondContact CG2-NE2 3.43Å; I124-H128 PolarHBondContact O-CD2 3.48Å; I124-H128 VanDerWaalsContact O-CD2 3.29Å; I124-H128 PolarHBondContact O-N 3.05Å; E125-H128 CarbonylContact O-C 3.48Å; E125-H128 WeakPolarHBondContact O-CA 3.29Å; E125-H128 WeakPolarHBondContact O-CB 3.33Å; E125-H128 PolarHBondContact O-N 3.06Å; Y126-H128 VanDerWaalsContact C-N 3.29Å; Y126-H128 PolarHBondContact O-N 3.29Å; H128-K130 PolarHBondContact O-N 3.17Å; H128-N131 WeakPolarHBondContact O-CA 3.31Å; H128-N131 PolarHBondContact O-N 3Å; H128-F132 WeakPolarHBondContact CA-O 3.28Å; H128-F132 PolarHBondContact CD2-O 3.09Å; H128-F132 PolarHBondContact N-O 3.15Å; H128-Y192 HydrophobicContact CB-CE1 4.39Å; H128-Y192 WeakPolarHBondContact O-CE1 3.13Å; H128-Y192 PolarHBondContact O-OH 3.17Å; H128-R193 PolarHBondContact O-NH2 3.39Å
129T97.8Very high98Very high67 Ų6743.7 Ų43.741%0.41122%0.215SC..Hα-helixtrans-59.4-30.8174.173.90000112.1E125 Y126 N131E125-T129 HydrophobicContact CG-CG2 4.39Å; E125-T129 VanDerWaalsContact O-CG2 3.24Å; E125-T129 WeakPolarHBondContact O-CG2 3.24Å; E125-T129 PolarHBondContact O-N 3.33Å; Y126-T129 PolarHBondContact O-N 3.41Å; Y126-T129 PolarHBondContact O-OG1 2.82Å; T129-N131 PolarHBondContact O-N 2.96Å
130K98Very high98Very high70 Ų7045.3 Ų45.330%0.30423%0.225SC..THydrogen-bonded Turntrans-82.86.2176-59.6-67.5-174.9167.60113.9L67 Y126 V127 H128 F132L67-K130 HydrophobicContact CD2-CB 3.82Å; L67-K130 HydrophobicContact CD2-CG 3.83Å; Y126-K130 HydrophobicContact CE1-CG 4.39Å; Y126-K130 VanDerWaalsContact CZ-CE 3.44Å; Y126-K130 PolarHBondContact O-N 3.36Å; Y126-K130 WeakPolarHBondContact OH-CE 3.3Å; V127-K130 WeakPolarHBondContact O-CB 3.27Å; V127-K130 PolarHBondContact O-N 2.76Å; H128-K130 PolarHBondContact O-N 3.17Å; K130-F132 HydrophobicContact CB-CD2 4.44Å; K130-F132 WeakPolarHBondContact O-CD2 3.36Å; K130-F132 WeakPolarHBondContact O-CE2 3.49Å
131N98.1Very high97.9Very high5 Ų543.2 Ų43.23%0.02722%0.215CC..THydrogen-bonded Turntrans73.719.9179.3-45.7-68000115.5H128 T129 K191 Y192 R193 N195 R198H128-N131 WeakPolarHBondContact O-CA 3.31Å; H128-N131 PolarHBondContact O-N 3Å; T129-N131 PolarHBondContact O-N 2.96Å; N131-K191 HydrophobicContact CB-CG 4.34Å; N131-K191 CarbonylContact O-C 3.58Å; N131-K191 VanDerWaalsContact O-CA 3.29Å; N131-K191 WeakPolarHBondContact O-CA 3.48Å; N131-K191 WeakPolarHBondContact O-CG 3.49Å; N131-Y192 VanDerWaalsContact C-CE1 3.45Å; N131-Y192 WeakPolarHBondContact O-CD1 3.16Å; N131-Y192 PolarHBondContact O-N 3.25Å; N131-R193 HydrophobicContact CB-CG 3.88Å; N131-R193 VanDerWaalsContact OD1-CG 3.32Å; N131-R193 WeakPolarHBondContact OD1-CG 3.31Å; N131-R193 PolarHBondContact OD1-NE 2.72Å; N131-N195 PolarHBondContact ND2-OD1 3.26Å; N131-R198 PolarHBondContact OD1-NH1 2.85Å
132F98.4Very high97.9Very high20 Ų2037.9 Ų37.99%0.08819%0.188CC..EExtended strand (participates in β ladder)trans-115152.9177.4-69.4-94.8000111.3L63 I66 V127 H128 K130 K190 K191L63-F132 HydrophobicContact CD1-CD1 3.63Å; L63-F132 HydrophobicContact CD1-CD2 3.67Å; L63-F132 HydrophobicContact CD1-CE1 3.63Å; L63-F132 HydrophobicContact CD1-CE2 3.68Å; L63-F132 HydrophobicContact CD1-CG 3.66Å; L63-F132 HydrophobicContact CD1-CZ 3.67Å; L63-F132 HydrophobicContact CD2-CD1 4.09Å; L63-F132 HydrophobicContact CD2-CE1 4.45Å; I66-F132 HydrophobicContact CD1-CE2 4.12Å; I66-F132 HydrophobicContact CD1-CZ 4.02Å; I66-F132 HydrophobicContact CG2-CE2 4.17Å; V127-F132 CarbonylContact C-O 3.45Å; V127-F132 HydrophobicContact CG1-CB 3.93Å; V127-F132 PolarHBondContact O-N 3.29Å; H128-F132 WeakPolarHBondContact CA-O 3.28Å; H128-F132 PolarHBondContact CD2-O 3.09Å; H128-F132 PolarHBondContact N-O 3.15Å; K130-F132 HydrophobicContact CB-CD2 4.44Å; K130-F132 WeakPolarHBondContact O-CD2 3.36Å; K130-F132 WeakPolarHBondContact O-CE2 3.49Å; F132-K190 CarbonylContact C-O 3.58Å; F132-K190 VanDerWaalsContact CA-O 3.29Å; F132-K190 WeakPolarHBondContact CA-O 3.48Å; F132-K191 HydrophobicContact CD1-CB 4.09Å; F132-K191 HydrophobicContact CE1-CB 3.78Å; F132-K191 HydrophobicContact CE1-CG 4.38Å; F132-K191 HydrophobicContact CZ-CB 4.19Å; F132-K191 HydrophobicContact CZ-CG 4.32Å
133I98.2Very high97.8Very high15 Ų1537.1 Ų37.18%0.07718%0.18CC..EExtended strand (participates in β ladder)trans-114.8141.2165.951.8172.7000108.2R135 A189 K190 Y192 Q226I133-R135 HydrophobicContact CB-CG 4.41Å; I133-R135 HydrophobicContact CD1-CG 3.82Å; I133-R135 HydrophobicContact CG1-CG 3.83Å; I133-A189 CarbonylContact O-C 3.6Å; I133-A189 WeakPolarHBondContact O-CA 3.49Å; I133-A189 WeakPolarHBondContact O-CB 3.32Å; I133-K190 HydrophobicContact CG1-CB 4.24Å; I133-K190 WeakPolarHBondContact CG1-O 3.5Å; I133-K190 PolarHBondContact N-O 2.76Å; I133-K190 PolarHBondContact O-N 3.05Å; I133-Y192 HydrophobicContact CG2-CD1 3.81Å; I133-Y192 HydrophobicContact CG2-CG 3.96Å; I133-Q226 VanDerWaalsContact CD1-C 3.48Å; I133-Q226 HydrophobicContact CD1-CB 3.82Å; I133-Q226 WeakPolarHBondContact CD1-O 3.44Å
134H97.9Very high97.7Very high6 Ų637.2 Ų37.23%0.02818%0.182CC..  trans-75.8-40.5-174.1-167-66.9000113.5D136 I137 I184 D185 F186 L188 A189H134-D136 PolarHBondContact ND1-N 3.24Å; H134-D136 PolarHBondContact O-N 3.33Å; H134-I137 HydrophobicContact CB-CD1 3.76Å; H134-I184 PolarHBondContact CE1-O 3.17Å; H134-I184 PolarHBondContact NE2-O 3.39Å; H134-D185 PolarHBondContact CE1-O 2.92Å; H134-D185 PolarHBondContact NE2-O 3.2Å; H134-F186 AromaticContact CD2-CD1 3.65Å; H134-F186 AromaticContact CD2-CE1 3.55Å; H134-F186 AromaticContact NE2-CD1 3.93Å; H134-F186 AromaticContact NE2-CE1 3.99Å; H134-L188 CarbonylContact O-C 3.59Å; H134-A189 WeakPolarHBondContact O-CA 3.15Å; H134-A189 PolarHBondContact O-N 3.49Å
135R97.1Very high97.4Very high58 Ų5835.6 Ų35.622%0.21918%0.176CC..SBendtrans63.85.6179.9-50.3-165.2-65.7160.10.4117.7I133 L188 Q226I133-R135 HydrophobicContact CB-CG 4.41Å; I133-R135 HydrophobicContact CD1-CG 3.82Å; I133-R135 HydrophobicContact CG1-CG 3.83Å; R135-L188 PolarHBondContact NE-O 2.92Å; R135-L188 PolarHBondContact NH2-O 3.04Å; R135-Q226 HydrophobicContact CG-CB 4.34Å
136D96.5Very high96.8Very high5 Ų532.9 Ų32.93%0.02716%0.164CC..  trans-144.661.6174.4-163.737.5000110.9H134 K138 N141 L188 G211 T212H134-D136 PolarHBondContact ND1-N 3.24Å; H134-D136 PolarHBondContact O-N 3.33Å; D136-K138 PolarHBondContact O-N 3.24Å; D136-K138 IonicContact OD1-NZ 3.48Å; D136-K138 WeakPolarHBondContact OD2-CE 3.33Å; D136-K138 IonicContact OD2-NZ 2.87Å; D136-K138 PolarHBondContact OD2-NZ 3.43Å; D136-N141 PolarHBondContact O-ND2 3.18Å; D136-N141 PolarHBondContact OD2-ND2 2.79Å; D136-L188 HydrophobicContact CB-CD1 4.01Å; D136-G211 WeakPolarHBondContact OD1-CA 3.49Å; D136-T212 WeakPolarHBondContact OD1-CB 3.22Å; D136-T212 PolarHBondContact OD1-N 3.26Å; D136-T212 PolarHBondContact OD1-OG1 2.96Å
137I97.9Very high95.4Very high66 Ų6631.1 Ų31.134%0.33816%0.159SC..  trans-78.2114.8177.7-60-56.6000108.7I124 H134 F142 Y215I124-I137 HydrophobicContact CD1-CD1 4.03Å; I124-I137 HydrophobicContact CD1-CG1 4.41Å; I124-I137 HydrophobicContact CD1-CG2 4.46Å; I124-I137 HydrophobicContact CG1-CD1 4.02Å; H134-I137 HydrophobicContact CB-CD1 3.76Å; I137-F142 HydrophobicContact CD1-CZ 4.45Å; I137-F142 HydrophobicContact CG2-CE2 3.95Å; I137-F142 HydrophobicContact CG2-CZ 4.35Å; I137-Y215 VanDerWaalsContact O-CB 3.3Å; I137-Y215 WeakPolarHBondContact O-CB 3.39Å
138K97.3Very high93.2Very high28 Ų2842.8 Ų42.812%0.12220%0.203CC..  trans-156.2156.517960.4-177.5174.7-157.70110.8D136 D140 N141 F142 T212 Y215D136-K138 PolarHBondContact O-N 3.24Å; D136-K138 IonicContact OD1-NZ 3.48Å; D136-K138 WeakPolarHBondContact OD2-CE 3.33Å; D136-K138 IonicContact OD2-NZ 2.87Å; D136-K138 PolarHBondContact OD2-NZ 3.43Å; K138-D140 HydrophobicContact CD-CB 4.09Å; K138-D140 HydrophobicContact CG-CB 4.1Å; K138-D140 PolarHBondContact O-N 2.97Å; K138-D140 VanDerWaalsContact O-N 3.16Å; K138-N141 VanDerWaalsContact CE-CG 3.48Å; K138-N141 VanDerWaalsContact CE-ND2 3.31Å; K138-N141 WeakPolarHBondContact CE-ND2 3.32Å; K138-N141 VanDerWaalsContact CE-OD1 3.27Å; K138-N141 WeakPolarHBondContact CE-OD1 3.34Å; K138-N141 HydrophobicContact CG-CB 4.11Å; K138-N141 PolarHBondContact O-N 3.05Å; K138-F142 VanDerWaalsContact O-CD2 3.31Å; K138-F142 WeakPolarHBondContact O-CD2 3.43Å; K138-T212 WeakPolarHBondContact CD-OG1 3.34Å; K138-Y215 HydrophobicContact CB-CD2 3.46Å; K138-Y215 VanDerWaalsContact CB-CD2 3.46Å; K138-Y215 HydrophobicContact CB-CE2 3.54Å; K138-Y215 HydrophobicContact CB-CG 4.4Å
139P97.6Very high90.3Very high33 Ų3348.1 Ų48.121%0.21423%0.228CC..G310 helixtrans-55.6-32.2-179.9-25.935.8000114L97 E98 N141 F142 Y215L97-P139 HydrophobicContact CB-CB 4.03Å; L97-P139 PolarHBondContact N-O 3.5Å; E98-P139 HydrophobicContact CB-CB 4.03Å; P139-N141 PolarHBondContact O-N 2.8Å; P139-F142 PolarHBondContact O-N 3.44Å; P139-Y215 VanDerWaalsContact CD-CZ 3.44Å; P139-Y215 HydrophobicContact CG-CE1 4.43Å
140D96.1Very high87.6Confident72 Ų7247.9 Ų47.939%0.38523%0.228SC..G310 helixtrans-62.7-27.6177.8-48-106.4000113.5K138 L143K138-D140 HydrophobicContact CD-CB 4.09Å; K138-D140 HydrophobicContact CG-CB 4.1Å; K138-D140 PolarHBondContact O-N 2.97Å; K138-D140 VanDerWaalsContact O-N 3.16Å; D140-L143 WeakPolarHBondContact O-CD1 3.47Å
141N97.3Very high84.7Confident7 Ų750.2 Ų50.24%0.03724%0.244CC..G310 helixtrans-92.91.2-177.6-73.6-6.2000112.9D136 K138 P139 L183 I184D136-N141 PolarHBondContact O-ND2 3.18Å; D136-N141 PolarHBondContact OD2-ND2 2.79Å; K138-N141 VanDerWaalsContact CE-CG 3.48Å; K138-N141 VanDerWaalsContact CE-ND2 3.31Å; K138-N141 WeakPolarHBondContact CE-ND2 3.32Å; K138-N141 VanDerWaalsContact CE-OD1 3.27Å; K138-N141 WeakPolarHBondContact CE-OD1 3.34Å; K138-N141 HydrophobicContact CG-CB 4.11Å; K138-N141 PolarHBondContact O-N 3.05Å; P139-N141 PolarHBondContact O-N 2.8Å; N141-L183 HydrophobicContact CB-CD1 4.42Å; N141-I184 WeakPolarHBondContact O-CG1 3.42Å; N141-I184 PolarHBondContact O-N 2.66Å
142F97.8Very high81.8Confident3 Ų358.9 Ų58.91%0.01328%0.282CS..EExtended strand (participates in β ladder)trans-110.5113.9172.8-70.5-80.4000110S96 L97 M120 R123 I124 I137 K138 P139 L181 F182 L183S96-F142 CarbonylContact C-O 3.49Å; S96-F142 VanDerWaalsContact CA-O 3.27Å; S96-F142 WeakPolarHBondContact CA-O 3.23Å; L97-F142 HydrophobicContact CB-CB 4.48Å; L97-F142 HydrophobicContact CD1-CB 3.6Å; L97-F142 HydrophobicContact CD1-CG 4.25Å; L97-F142 HydrophobicContact CG-CB 3.73Å; L97-F142 PolarHBondContact N-O 2.65Å; M120-F142 HydrophobicContact CB-CE1 4.07Å; M120-F142 HydrophobicContact CB-CZ 4.23Å; M120-F142 HydrophobicContact CG-CD1 3.89Å; M120-F142 HydrophobicContact CG-CE1 3.73Å; M120-F142 HydrophobicContact CG-CE2 4.4Å; M120-F142 HydrophobicContact CG-CG 4.28Å; M120-F142 HydrophobicContact CG-CZ 4Å; M120-F142 HydrophobicContact SD-CD2 4.21Å; M120-F142 HydrophobicContact SD-CE2 4.18Å; M120-F142 HydrophobicContact SD-CG 4.41Å; M120-F142 HydrophobicContact SD-CZ 4.34Å; R123-F142 HydrophobicContact CB-CE1 4.34Å; R123-F142 HydrophobicContact CG-CE1 4.44Å; I124-F142 HydrophobicContact CD1-CZ 4.36Å; I124-F142 HydrophobicContact CG1-CZ 4.48Å; I137-F142 HydrophobicContact CD1-CZ 4.45Å; I137-F142 HydrophobicContact CG2-CE2 3.95Å; I137-F142 HydrophobicContact CG2-CZ 4.35Å; K138-F142 VanDerWaalsContact O-CD2 3.31Å; K138-F142 WeakPolarHBondContact O-CD2 3.43Å; P139-F142 PolarHBondContact O-N 3.44Å; F142-L181 HydrophobicContact CB-CD1 4.09Å; F142-L181 HydrophobicContact CB-CD2 4.26Å; F142-L181 HydrophobicContact CB-CG 4.26Å; F142-L181 HydrophobicContact CD1-CD2 3.7Å; F142-L181 HydrophobicContact CD1-CG 4.12Å; F142-L181 HydrophobicContact CE1-CD2 4.45Å; F142-L181 HydrophobicContact CG-CD2 4.27Å; F142-F182 CarbonylContact C-O 3.58Å; F142-F182 VanDerWaalsContact CA-O 3.26Å; F142-F182 WeakPolarHBondContact CA-O 3.35Å; F142-L183 HydrophobicContact CD1-CB 4.42Å; F142-L183 HydrophobicContact CD1-CD1 4.16Å; F142-L183 HydrophobicContact CE1-CB 4.24Å; F142-L183 HydrophobicContact CE1-CD1 3.78Å; F142-L183 HydrophobicContact CE1-CG 4.4Å; F142-L183 HydrophobicContact CE2-CD1 4.34Å; F142-L183 HydrophobicContact CZ-CD1 3.88Å
143L97.1Very high79.1Confident25 Ų2563 Ų6313%0.13131%0.312CS..EExtended strand (participates in β ladder)trans-117.3145.1-176.4-81.166.5000110.8L93 G94 D140 F182 I184L93-L143 HydrophobicContact CB-CB 4.06Å; L93-L143 HydrophobicContact CB-CD2 3.79Å; L93-L143 HydrophobicContact CD1-CB 3.83Å; L93-L143 HydrophobicContact CD1-CD2 4.06Å; G94-L143 WeakPolarHBondContact O-CD2 3.36Å; D140-L143 WeakPolarHBondContact O-CD1 3.47Å; L143-F182 PolarHBondContact N-O 2.81Å; L143-F182 PolarHBondContact O-N 2.85Å; L143-I184 HydrophobicContact CD1-CD1 3.46Å; L143-I184 VanDerWaalsContact CD1-CD1 3.46Å; L143-I184 HydrophobicContact CD1-CG1 3.83Å; L143-I184 HydrophobicContact CD2-CD1 3.9Å; L143-I184 HydrophobicContact CG-CD1 4.31Å
144M96.2Very high76.3Confident28 Ų2869.2 Ų69.214%0.13834%0.344CS..EExtended strand (participates in β ladder)trans-77.9150.7170.4-61.5-57.3-61.100110.6G94 P95 L97 L100 L178 L181G94-M144 VanDerWaalsContact CA-O 3.27Å; G94-M144 WeakPolarHBondContact CA-O 3.45Å; G94-M144 PolarHBondContact N-O 3.39Å; P95-M144 PolarHBondContact O-N 3.21Å; L97-M144 HydrophobicContact CD2-SD 4.42Å; L100-M144 HydrophobicContact CD1-CG 3.53Å; M144-L178 WeakPolarHBondContact CE-O 3.14Å; M144-L181 HydrophobicContact SD-CD1 3.53Å; M144-L181 VanDerWaalsContact SD-CD1 3.53Å
145G92.4Very high73.5Confident8 Ų875 Ų758%0.08238%0.375CS..PPolyproline II helixtrans-66.8157.8169.600000112.9G177 Q180G145-G177 WeakPolarHBondContact CA-O 3.49Å; G145-Q180 PolarHBondContact N-O 3.1Å
146I86.7Confident70.5Confident61 Ų6176.4 Ų76.431%0.31339%0.394SS..PPolyproline II helixtrans-89.1125.4171.1-53.5-179.3000108.2L92 L93 G94 C150L92-I146 HydrophobicContact CB-CD1 4.1Å; L92-I146 HydrophobicContact CD2-CD1 3.74Å; L92-I146 HydrophobicContact CG-CD1 3.61Å; L92-I146 WeakPolarHBondContact O-CD1 3.29Å; L93-I146 WeakPolarHBondContact O-CD1 2.96Å; G94-I146 VanDerWaalsContact N-CG1 3.29Å; I146-C150 HydrophobicContact CG2-CB 4.47Å
147G68.4Low67.7Low6 Ų681.2 Ų81.26%0.06243%0.428CS..PPolyproline II helixtrans-72.3154.917000000112.2H149 C150G147-H149 PolarHBondContact O-N 2.95Å; G147-C150 PolarHBondContact O-N 3.15Å
148R52.1Low64.8Low246 Ų24684.4 Ų84.493%0.92845%0.451SS*.THydrogen-bonded Turntrans-58.23177.4-70.3-174.7176.5174.6-0.6115.3
149H38.8Very low62.2Low182 Ų18286.1 Ų86.184%0.84348%0.476SS*.THydrogen-bonded Turntrans-141.420179.5-75.8-66.2000116.4G147G147-H149 PolarHBondContact O-N 2.95Å
150C40.8Very low59.2Low62 Ų6294 Ų9442%0.41951%0.507SS..  trans-99.834.2179.3-68.90000114.8I146 G147 K152I146-C150 HydrophobicContact CG2-CB 4.47Å; G147-C150 PolarHBondContact O-N 3.15Å; C150-K152 PolarHBondContact O-N 3.42Å
151N35.7Very low56.2Low119 Ų119101.2 Ų101.264%0.63653%0.529SS*.THydrogen-bonded Turntrans-75.825.1176.4-69.77.8000114.2
152K38.3Very low53.4Low187 Ų187111.2 Ų111.281%0.81357%0.572SS**THydrogen-bonded Turntrans-137.27.1-177.2-82.7-171.9178.2176.30116.6C150C150-K152 PolarHBondContact O-N 3.42Å
153C40.2Very low50.4Low106 Ų106122.3 Ų122.372%0.71661%0.614SS**SBendtrans-98.2-6.4-179.3-63.80000114.8
154L41.1Very low47.2Very low145 Ų145126.5 Ų126.576%0.75965%0.645SS**SBendtrans-10216.6178.7-73.9168000113.8
155D37.4Very low44.5Very low127 Ų127133.3 Ų133.368%0.67968%0.681SS**  trans-140.2101.8163.3-161.15.8000109.5
156S35.6Very low41.6Very low89 Ų89137 Ų13762%0.62271%0.711SS**  trans-167.780.9156.126.30000109.9
157S36.6Very low39.1Very low106 Ų106140.8 Ų140.874%0.74174%0.737SS**  -52.4138125.1-41.10000107
158V38.3Very low37.4Very low133 Ų133144.5 Ų144.581%0.80676%0.762SS**SBendtrans95.9102.2-176.7-170.60000113.7
159G41.2Very low36.6Very low64 Ų64138.7 Ų138.766%0.6676%0.759SS**  trans-64.4149.9173.900000113.8
160K36.3Very low36.3Very low197 Ų197133.2 Ų133.286%0.85774%0.741SS**  trans175.7138.4130.4-96163.7-174175.70111.3
161R32.4Very low36.2Very low224 Ų224140.2 Ų140.285%0.84577%0.768SS**  trans75.5109.8157.2-71.9178.9172.9129.7-2.2119.3R163R161-R163 PolarHBondContact O-N 3.26Å; R161-R163 VanDerWaalsContact O-N 3.17Å
162K39Very low36.3Very low217 Ų217138.6 Ų138.694%0.94376%0.759SS**  trans-44.3112.8150.2-75175.8173.5176.40109.7
163R33.3Very low36.3Very low236 Ų236135.3 Ų135.389%0.89176%0.757SS**  trans-108.2121.3153.9-78.8-173.8175.1-177.4-1.2106.8R161 L165R161-R163 PolarHBondContact O-N 3.26Å; R161-R163 VanDerWaalsContact O-N 3.17Å; R163-L165 PolarHBondContact O-N 3.41Å
164S31Very low36.3Very low114 Ų114134.7 Ų134.780%0.79775%0.753SS**  trans-60123.2172.158.30000108.5A166S164-A166 VanDerWaalsContact C-N 3.34Å; S164-A166 PolarHBondContact O-N 3.23Å
165L39.6Very low36.2Very low170 Ų170133.3 Ų133.389%0.8974%0.742SS**  trans-66.199.3163.2-83149.1000107R163 V167R163-L165 PolarHBondContact O-N 3.41Å; L165-V167 PolarHBondContact O-N 2.92Å
166A30.4Very low36.9Very low87 Ų87130.9 Ų130.972%0.71974%0.735SS**  trans-64.6116.8165.300000107.2S164 S168S164-A166 VanDerWaalsContact C-N 3.34Å; S164-A166 PolarHBondContact O-N 3.23Å; A166-S168 PolarHBondContact O-N 3.05Å
167V35.1Very low37.8Very low139 Ų139128.3 Ų128.384%0.84272%0.722SS**  trans-74.3100.4170.7174.10000106.6L165 S169L165-V167 PolarHBondContact O-N 2.92Å; V167-S169 PolarHBondContact O-N 2.92Å
168S32.9Very low39.1Very low84 Ų84126.2 Ų126.259%0.58770%0.702SS**  trans-78.6118.5169.154.70000109.3A166 S170A166-S168 PolarHBondContact O-N 3.05Å; S168-S170 VanDerWaalsContact C-N 3.28Å; S168-S170 PolarHBondContact O-N 3.24Å
169S33.9Very low41.2Very low125 Ų125125.1 Ų125.187%0.87469%0.692SS**  trans-69.977.9169.951.60000110.8V167V167-S169 PolarHBondContact O-N 2.92Å
170S34Very low43.7Very low66 Ų66124.3 Ų124.346%0.46267%0.671SS.*  trans-124.5110.917054.20000109.4S168 D172S168-S170 VanDerWaalsContact C-N 3.28Å; S168-S170 PolarHBondContact O-N 3.24Å; S170-D172 PolarHBondContact O-N 3.34Å
171Q37.2Very low46.5Very low209 Ų209114.9 Ų114.998%0.97763%0.63SS**  trans-69.585.3165.6-70.8179.9-6.200107.9
172D38.2Very low49.7Very low86 Ų86105.3 Ų105.346%0.4659%0.594SS.*  trans-119.6118.2169.2-162.3-34.9000108S170 S174 F175S170-D172 PolarHBondContact O-N 3.34Å; D172-S174 VanDerWaalsContact CG-OG 3.25Å; D172-S174 PolarHBondContact O-N 3.17Å; D172-S174 PolarHBondContact OD1-N 3.42Å; D172-S174 PolarHBondContact OD1-OG 2.88Å; D172-F175 PolarHBondContact O-N 3.01Å
173P38.9Very low52.5Low118 Ų11895 Ų9577%0.76655%0.549SS*.G310 helixtrans-61.3-13.2-177.6-19.931.1000114S176P173-S176 PolarHBondContact O-OG 3.24Å
174S39.4Very low55.5Low92 Ų9285.3 Ų85.364%0.64352%0.515SS*.G310 helixtrans-84.6-6.3-178.465.40000114.7D172 S176D172-S174 VanDerWaalsContact CG-OG 3.25Å; D172-S174 PolarHBondContact O-N 3.17Å; D172-S174 PolarHBondContact OD1-N 3.42Å; D172-S174 PolarHBondContact OD1-OG 2.88Å; S174-S176 PolarHBondContact O-N 3.43Å
175F40.3Very low58.5Low117 Ų11780.4 Ų80.451%0.51348%0.48SS..G310 helixtrans-814.3175.6-116.6-92.4000114.5D172 G177D172-F175 PolarHBondContact O-N 3.01Å; F175-G177 PolarHBondContact O-N 2.99Å
176S51.4Low61.2Low76 Ų7672.3 Ų72.353%0.53144%0.437SS..THydrogen-bonded Turntrans-72.1-21.8-160.848.30000116.1P173 S174 Q180P173-S176 PolarHBondContact O-OG 3.24Å; S174-S176 PolarHBondContact O-N 3.43Å; S176-Q180 WeakPolarHBondContact O-CB 3.37Å
177G54.3Low64.3Low34 Ų3468.5 Ų68.535%0.35141%0.406SS..THydrogen-bonded Turntrans-75.4-32-17500000115.5G145 F175G145-G177 WeakPolarHBondContact CA-O 3.49Å; F175-G177 PolarHBondContact O-N 2.99Å
178L63.5Low67.1Low62 Ų6263.3 Ų63.333%0.32537%0.374SS..THydrogen-bonded Turntrans-73.5-36.7-174.9-88.4162.9000113.6M144 Q180M144-L178 WeakPolarHBondContact CE-O 3.14Å; L178-Q180 VanDerWaalsContact C-N 3.35Å
179N83.1Confident70.2Confident110 Ų11059.5 Ų59.559%0.58835%0.347SS*.THydrogen-bonded Turntrans-98.18-174.6-65.3-32.1000112.3Q119Q119-N179 PolarHBondContact NE2-O 3.08Å; Q119-N179 PolarHBondContact OE1-O 3.31Å
180Q92.9Very high73.1Confident47 Ų4755.8 Ų55.822%0.2232%0.316CS..  trans-85.9125.7177.9-176.6173.3-38.300110.1V71 G145 S176 L178 F182V71-Q180 HydrophobicContact CG1-CG 4.44Å; G145-Q180 PolarHBondContact N-O 3.1Å; S176-Q180 WeakPolarHBondContact O-CB 3.37Å; L178-Q180 VanDerWaalsContact C-N 3.35Å; Q180-F182 HydrophobicContact CB-CE2 3.99Å; Q180-F182 HydrophobicContact CG-CD2 4.3Å; Q180-F182 HydrophobicContact CG-CE2 3.75Å; Q180-F182 HydrophobicContact CG-CZ 4.12Å; Q180-F182 WeakPolarHBondContact O-CD2 3.46Å
181L96.4Very high76.1Confident0 Ų056.8 Ų56.80%031%0.312CS..EExtended strand (participates in β ladder)trans-86137.1172-163.170.6000110.4G72 L97 L116 Q119 M120 R123 F142 M144G72-L181 WeakPolarHBondContact CA-O 3.23Å; L97-L181 HydrophobicContact CD1-CD1 4.17Å; L97-L181 HydrophobicContact CD1-CD2 4.36Å; L97-L181 HydrophobicContact CD2-CD1 3.81Å; L97-L181 HydrophobicContact CG-CD1 4.03Å; L116-L181 HydrophobicContact CD2-CD1 4.29Å; Q119-L181 HydrophobicContact CB-CB 4.03Å; Q119-L181 HydrophobicContact CB-CD2 4.22Å; M120-L181 HydrophobicContact CB-CD2 4.43Å; M120-L181 HydrophobicContact CG-CD2 3.39Å; R123-L181 WeakPolarHBondContact CD-O 3.26Å; F142-L181 HydrophobicContact CB-CD1 4.09Å; F142-L181 HydrophobicContact CB-CD2 4.26Å; F142-L181 HydrophobicContact CB-CG 4.26Å; F142-L181 HydrophobicContact CD1-CD2 3.7Å; F142-L181 HydrophobicContact CD1-CG 4.12Å; F142-L181 HydrophobicContact CE1-CD2 4.45Å; F142-L181 HydrophobicContact CG-CD2 4.27Å; M144-L181 HydrophobicContact SD-CD1 3.53Å; M144-L181 VanDerWaalsContact SD-CD1 3.53Å
182F98Very high79Confident22 Ų2248 Ų4810%0.09627%0.27CS..EExtended strand (participates in β ladder)trans-114.3145.7177-69.1-103.7000110.3G72 P74 L93 F142 L143 Q180G72-F182 VanDerWaalsContact C-CD1 3.41Å; G72-F182 WeakPolarHBondContact O-CA 3.19Å; P74-F182 HydrophobicContact CG-CD1 4.09Å; L93-F182 HydrophobicContact CD1-CB 3.71Å; L93-F182 HydrophobicContact CD1-CD1 4.43Å; L93-F182 HydrophobicContact CD1-CG 4.03Å; L93-F182 HydrophobicContact CD2-CB 4.49Å; L93-F182 HydrophobicContact CD2-CD1 3.98Å; L93-F182 HydrophobicContact CD2-CD2 3.99Å; L93-F182 HydrophobicContact CD2-CE1 4.16Å; L93-F182 HydrophobicContact CD2-CE2 4.19Å; L93-F182 HydrophobicContact CD2-CG 3.9Å; L93-F182 HydrophobicContact CD2-CZ 4.26Å; F142-F182 CarbonylContact C-O 3.58Å; F142-F182 VanDerWaalsContact CA-O 3.26Å; F142-F182 WeakPolarHBondContact CA-O 3.35Å; L143-F182 PolarHBondContact N-O 2.81Å; L143-F182 PolarHBondContact O-N 2.85Å; Q180-F182 HydrophobicContact CB-CE2 3.99Å; Q180-F182 HydrophobicContact CG-CD2 4.3Å; Q180-F182 HydrophobicContact CG-CE2 3.75Å; Q180-F182 HydrophobicContact CG-CZ 4.12Å; Q180-F182 WeakPolarHBondContact O-CD2 3.46Å
183L98.1Very high81.8Confident0 Ų046.7 Ų46.70%026%0.258CS..EExtended strand (participates in β ladder)trans-108.4130.2170.8177.858.2000109.1G72 R123 I124 V127 N141 F142 F186G72-L183 PolarHBondContact O-N 2.89Å; R123-L183 HydrophobicContact CB-CB 3.93Å; R123-L183 HydrophobicContact CB-CD2 4.09Å; R123-L183 HydrophobicContact CG-CB 4.2Å; I124-L183 HydrophobicContact CG1-CD2 4.47Å; V127-L183 HydrophobicContact CG2-CD2 4.09Å; N141-L183 HydrophobicContact CB-CD1 4.42Å; F142-L183 HydrophobicContact CD1-CB 4.42Å; F142-L183 HydrophobicContact CD1-CD1 4.16Å; F142-L183 HydrophobicContact CE1-CB 4.24Å; F142-L183 HydrophobicContact CE1-CD1 3.78Å; F142-L183 HydrophobicContact CE1-CG 4.4Å; F142-L183 HydrophobicContact CE2-CD1 4.34Å; F142-L183 HydrophobicContact CZ-CD1 3.88Å; L183-F186 HydrophobicContact CD2-CE1 4.41Å; L183-F186 HydrophobicContact CG-CE1 4.32Å; L183-F186 HydrophobicContact CG-CZ 4.1Å; L183-F186 WeakPolarHBondContact O-CE2 3.32Å; L183-F186 WeakPolarHBondContact O-CZ 3.29Å
184I96.3Very high84.5Confident33 Ų3343.9 Ų43.917%0.16924%0.237CC..  trans-133.3177.3-175.268.2160.8000112.4P74 L93 H134 N141 L143P74-I184 HydrophobicContact CG-CG2 3.77Å; L93-I184 HydrophobicContact CD1-CG2 3.72Å; H134-I184 PolarHBondContact CE1-O 3.17Å; H134-I184 PolarHBondContact NE2-O 3.39Å; N141-I184 WeakPolarHBondContact O-CG1 3.42Å; N141-I184 PolarHBondContact O-N 2.66Å; L143-I184 HydrophobicContact CD1-CD1 3.46Å; L143-I184 VanDerWaalsContact CD1-CD1 3.46Å; L143-I184 HydrophobicContact CD1-CG1 3.83Å; L143-I184 HydrophobicContact CD2-CD1 3.9Å; L143-I184 HydrophobicContact CG-CD1 4.31Å
185D95.1Very high87.1Confident11 Ų1144.2 Ų44.26%0.05923%0.232CC..  trans65.664.4178.1-157.819.7000113.6S27 K46 H134 G187S27-D185 PolarHBondContact OG-OD2 3.3Å; K46-D185 IonicContact NZ-OD1 2.64Å; K46-D185 PolarHBondContact NZ-OD1 2.73Å; H134-D185 PolarHBondContact CE1-O 2.92Å; H134-D185 PolarHBondContact NE2-O 3.2Å; D185-G187 PolarHBondContact O-N 2.69Å
186F96.1Very high89.7Confident0 Ų049.2 Ų49.20%025%0.247CC..G310 helixtrans-83.313.7179.8-60.4-84000113.8E60 L63 Y64 L67 I73 V127 H134 L183 L188 A189E60-F186 HydrophobicContact CG-CB 4.27Å; E60-F186 PolarHBondContact OE1-N 3.46Å; L63-F186 HydrophobicContact CD2-CB 3.74Å; L63-F186 HydrophobicContact CD2-CD1 4.43Å; L63-F186 HydrophobicContact CD2-CG 4.38Å; L63-F186 HydrophobicContact CG-CB 4.29Å; Y64-F186 HydrophobicContact CD1-CD2 4.13Å; Y64-F186 HydrophobicContact CD1-CE2 4.14Å; Y64-F186 AromaticContact CE1-CD2 3.55Å; Y64-F186 HydrophobicContact CE1-CD2 3.55Å; Y64-F186 AromaticContact CE1-CE2 3.46Å; Y64-F186 HydrophobicContact CE1-CE2 3.46Å; Y64-F186 VanDerWaalsContact CE1-CE2 3.46Å; Y64-F186 HydrophobicContact CE2-CD2 4.04Å; Y64-F186 AromaticContact CZ-CD2 3.5Å; Y64-F186 VanDerWaalsContact CZ-CD2 3.5Å; Y64-F186 AromaticContact CZ-CE2 3.8Å; L67-F186 HydrophobicContact CD1-CD1 3.73Å; L67-F186 HydrophobicContact CD1-CD2 4.17Å; L67-F186 HydrophobicContact CD1-CE1 3.49Å; L67-F186 VanDerWaalsContact CD1-CE1 3.49Å; L67-F186 HydrophobicContact CD1-CE2 3.97Å; L67-F186 HydrophobicContact CD1-CG 4.06Å; L67-F186 HydrophobicContact CD1-CZ 3.63Å; I73-F186 HydrophobicContact CD1-CE2 4.41Å; I73-F186 HydrophobicContact CD1-CZ 3.8Å; V127-F186 HydrophobicContact CG1-CE1 4.46Å; V127-F186 HydrophobicContact CG2-CE1 3.78Å; V127-F186 HydrophobicContact CG2-CZ 4.35Å; H134-F186 AromaticContact CD2-CD1 3.65Å; H134-F186 AromaticContact CD2-CE1 3.55Å; H134-F186 AromaticContact NE2-CD1 3.93Å; H134-F186 AromaticContact NE2-CE1 3.99Å; L183-F186 HydrophobicContact CD2-CE1 4.41Å; L183-F186 HydrophobicContact CG-CE1 4.32Å; L183-F186 HydrophobicContact CG-CZ 4.1Å; L183-F186 WeakPolarHBondContact O-CE2 3.32Å; L183-F186 WeakPolarHBondContact O-CZ 3.29Å; F186-L188 PolarHBondContact O-N 3.47Å; F186-A189 HydrophobicContact CB-CB 4.19Å; F186-A189 HydrophobicContact CD1-CB 4.44Å; F186-A189 VanDerWaalsContact O-CB 3.31Å; F186-A189 WeakPolarHBondContact O-CB 3.42Å; F186-A189 PolarHBondContact O-N 3.28Å
187G94.1Very high91.9Very high7 Ų749.4 Ų49.47%0.07225%0.245CC..G310 helixtrans-58.3-36.7-179.200000112.9Q56 D185Q56-G187 PolarHBondContact OE1-O 2.85Å; D185-G187 PolarHBondContact O-N 2.69Å
188L95Very high93.9Very high30 Ų3053.8 Ų53.816%0.15725%0.251CS..G310 helixtrans-90.81.8177.4-63.5-177.9000114F28 H134 R135 D136 F186 T210F28-L188 HydrophobicContact CE1-CD2 4.48Å; F28-L188 HydrophobicContact CE2-CD2 4.45Å; F28-L188 HydrophobicContact CE2-CG 4.22Å; F28-L188 HydrophobicContact CZ-CD1 4.4Å; F28-L188 HydrophobicContact CZ-CD2 3.68Å; F28-L188 HydrophobicContact CZ-CG 3.79Å; H134-L188 CarbonylContact O-C 3.59Å; R135-L188 PolarHBondContact NE-O 2.92Å; R135-L188 PolarHBondContact NH2-O 3.04Å; D136-L188 HydrophobicContact CB-CD1 4.01Å; F186-L188 PolarHBondContact O-N 3.47Å; L188-T210 HydrophobicContact CB-CG2 4.39Å; L188-T210 HydrophobicContact CD1-CG2 4.13Å; L188-T210 HydrophobicContact CD2-CG2 4.07Å; L188-T210 HydrophobicContact CG-CG2 4.43Å
189A96.8Very high95.5Very high4 Ų457.7 Ų57.73%0.03327%0.268CS..  trans-64.3159.3-178.700000112.2Y59 L63 I133 H134 F186Y59-A189 HydrophobicContact CE1-CB 4.5Å; Y59-A189 WeakPolarHBondContact CE1-O 3.19Å; Y59-A189 PolarHBondContact OH-O 3Å; L63-A189 HydrophobicContact CD2-CB 3.32Å; I133-A189 CarbonylContact O-C 3.6Å; I133-A189 WeakPolarHBondContact O-CA 3.49Å; I133-A189 WeakPolarHBondContact O-CB 3.32Å; H134-A189 WeakPolarHBondContact O-CA 3.15Å; H134-A189 PolarHBondContact O-N 3.49Å; F186-A189 HydrophobicContact CB-CB 4.19Å; F186-A189 HydrophobicContact CD1-CB 4.44Å; F186-A189 VanDerWaalsContact O-CB 3.31Å; F186-A189 WeakPolarHBondContact O-CB 3.42Å; F186-A189 PolarHBondContact O-N 3.28Å
190K96.4Very high96.2Very high47 Ų4756.4 Ų56.420%0.20426%0.258CS..EExtended strand (participates in β ladder)trans-146.3142.3179.9-174.9-177.3174.6-156.50110.8F132 I133 Y192 E225F132-K190 CarbonylContact C-O 3.58Å; F132-K190 VanDerWaalsContact CA-O 3.29Å; F132-K190 WeakPolarHBondContact CA-O 3.48Å; I133-K190 HydrophobicContact CG1-CB 4.24Å; I133-K190 WeakPolarHBondContact CG1-O 3.5Å; I133-K190 PolarHBondContact N-O 2.76Å; I133-K190 PolarHBondContact O-N 3.05Å; K190-Y192 PolarHBondContact O-N 3.12Å; K190-E225 IonicContact NZ-OE1 3.15Å; K190-E225 PolarHBondContact NZ-OE1 2.98Å; K190-E225 IonicContact NZ-OE2 3.94Å; K190-E225 PolarHBondContact NZ-OE2 3.12Å
191K97.3Very high96.4Very high87 Ų8755.6 Ų55.638%0.37826%0.255SS..EExtended strand (participates in β ladder)trans-71125.1171.3-164.6-177.8-175.5-169.90109.3N131 F132 R193 D194N131-K191 HydrophobicContact CB-CG 4.34Å; N131-K191 CarbonylContact O-C 3.58Å; N131-K191 VanDerWaalsContact O-CA 3.29Å; N131-K191 WeakPolarHBondContact O-CA 3.48Å; N131-K191 WeakPolarHBondContact O-CG 3.49Å; F132-K191 HydrophobicContact CD1-CB 4.09Å; F132-K191 HydrophobicContact CE1-CB 3.78Å; F132-K191 HydrophobicContact CE1-CG 4.38Å; F132-K191 HydrophobicContact CZ-CB 4.19Å; F132-K191 HydrophobicContact CZ-CG 4.32Å; K191-R193 WeakPolarHBondContact CE-O 3.37Å; K191-R193 WeakPolarHBondContact CG-O 3.18Å; K191-D194 IonicContact NZ-OD2 3.42Å
192Y97.8Very high96.3Very high24 Ų2459.2 Ų59.29%0.09428%0.278CS..  trans-106.6-16.4-173.780.5-89000114H128 N131 I133 K190 H200 I201 R227H128-Y192 HydrophobicContact CB-CE1 4.39Å; H128-Y192 WeakPolarHBondContact O-CE1 3.13Å; H128-Y192 PolarHBondContact O-OH 3.17Å; N131-Y192 VanDerWaalsContact C-CE1 3.45Å; N131-Y192 WeakPolarHBondContact O-CD1 3.16Å; N131-Y192 PolarHBondContact O-N 3.25Å; I133-Y192 HydrophobicContact CG2-CD1 3.81Å; I133-Y192 HydrophobicContact CG2-CG 3.96Å; K190-Y192 PolarHBondContact O-N 3.12Å; Y192-H200 AromaticContact CD2-CD2 3.65Å; Y192-H200 AromaticContact CD2-CE1 3.87Å; Y192-H200 AromaticContact CD2-NE2 3.26Å; Y192-H200 VanDerWaalsContact CD2-NE2 3.26Å; Y192-H200 WeakPolarHBondContact CD2-NE2 3.24Å; Y192-H200 AromaticContact CE2-CD2 3.86Å; Y192-H200 AromaticContact CE2-NE2 3.59Å; Y192-I201 PolarHBondContact O-N 2.94Å; Y192-R227 WeakPolarHBondContact CB-OXT 3.5Å; Y192-R227 VanDerWaalsContact CD2-OXT 3.23Å; Y192-R227 WeakPolarHBondContact CD2-OXT 3.18Å
193R96.7Very high96.2Very high60 Ų6063.1 Ų63.123%0.22629%0.293CS..BIsolated β-bridgetrans-145.6156.2174.266179.4177.1-168.8-10.6111.9H128 N131 K191 Q199H128-R193 PolarHBondContact O-NH2 3.39Å; N131-R193 HydrophobicContact CB-CG 3.88Å; N131-R193 VanDerWaalsContact OD1-CG 3.32Å; N131-R193 WeakPolarHBondContact OD1-CG 3.31Å; N131-R193 PolarHBondContact OD1-NE 2.72Å; K191-R193 WeakPolarHBondContact CE-O 3.37Å; K191-R193 WeakPolarHBondContact CG-O 3.18Å; R193-Q199 CarbonylContact C-O 3.29Å; R193-Q199 WeakPolarHBondContact CA-O 3.47Å; R193-Q199 WeakPolarHBondContact CB-O 3.42Å
194D96.1Very high96Very high58 Ų5869.7 Ų69.731%0.3132%0.318SS..  trans-65.9148.2173.9-176.3-110.1000111.9K191 R196 T197 R198 Q199K191-D194 IonicContact NZ-OD2 3.42Å; D194-R196 WeakPolarHBondContact OD1-CA 3.29Å; D194-R196 WeakPolarHBondContact OD1-CB 3.37Å; D194-R196 PolarHBondContact OD1-N 3.32Å; D194-T197 WeakPolarHBondContact CB-OG1 3.49Å; D194-T197 PolarHBondContact OD1-N 3.22Å; D194-T197 PolarHBondContact OD1-OG1 2.98Å; D194-R198 VanDerWaalsContact O-CA 3.24Å; D194-R198 WeakPolarHBondContact O-CA 3.48Å; D194-R198 PolarHBondContact O-N 3.25Å; D194-Q199 PolarHBondContact N-O 3.11Å
195N93.6Very high95.9Very high100 Ų10073.2 Ų73.254%0.53533%0.334SS..THydrogen-bonded Turntrans-75.3-31.1-176.9-169.851.1000112.5N131N131-N195 PolarHBondContact ND2-OD1 3.26Å
196R95.1Very high95.8Very high222 Ų22280.2 Ų80.284%0.83837%0.371SS*.THydrogen-bonded Turntrans-95-53.7-176.2-175.4178.166.7175.91.9111.3D194 R198D194-R196 WeakPolarHBondContact OD1-CA 3.29Å; D194-R196 WeakPolarHBondContact OD1-CB 3.37Å; D194-R196 PolarHBondContact OD1-N 3.32Å; R196-R198 VanDerWaalsContact C-N 3.31Å
197T96.8Very high95.7Very high80 Ų8084.4 Ų84.449%0.49139%0.389SS..THydrogen-bonded Turntrans-81.8-14.9-175.867.30000112.7D194 Q199D194-T197 WeakPolarHBondContact CB-OG1 3.49Å; D194-T197 PolarHBondContact OD1-N 3.22Å; D194-T197 PolarHBondContact OD1-OG1 2.98Å; T197-Q199 PolarHBondContact O-N 2.85Å; T197-Q199 WeakPolarHBondContact OG1-CB 3.44Å; T197-Q199 PolarHBondContact OG1-N 3.36Å; T197-Q199 VanDerWaalsContact OG1-N 3.17Å
198R96.6Very high95.6Very high125 Ų12591.1 Ų91.147%0.47242%0.424SS..  trans54.715.1-168.5-56.5-62-165.1161.97113.5N131 D194 R196 H200N131-R198 PolarHBondContact OD1-NH1 2.85Å; D194-R198 VanDerWaalsContact O-CA 3.24Å; D194-R198 WeakPolarHBondContact O-CA 3.48Å; D194-R198 PolarHBondContact O-N 3.25Å; R196-R198 VanDerWaalsContact C-N 3.31Å; R198-H200 PolarHBondContact O-N 3.05Å
199Q97.3Very high95.5Very high145 Ų14593.1 Ų93.168%0.67843%0.434SS*.PPolyproline II helixtrans-65.6129.4176.9-173.3178.92600109.4R193 D194 T197R193-Q199 CarbonylContact C-O 3.29Å; R193-Q199 WeakPolarHBondContact CA-O 3.47Å; R193-Q199 WeakPolarHBondContact CB-O 3.42Å; D194-Q199 PolarHBondContact N-O 3.11Å; T197-Q199 PolarHBondContact O-N 2.85Å; T197-Q199 WeakPolarHBondContact OG1-CB 3.44Å; T197-Q199 PolarHBondContact OG1-N 3.36Å; T197-Q199 VanDerWaalsContact OG1-N 3.17Å
200H97.9Very high95.3Very high82 Ų8295 Ų9538%0.3845%0.445SS..BIsolated β-bridgetrans-73.1153.5-179.6-142.4-97.2000112.1Y192 R198 R227Y192-H200 AromaticContact CD2-CD2 3.65Å; Y192-H200 AromaticContact CD2-CE1 3.87Å; Y192-H200 AromaticContact CD2-NE2 3.26Å; Y192-H200 VanDerWaalsContact CD2-NE2 3.26Å; Y192-H200 WeakPolarHBondContact CD2-NE2 3.24Å; Y192-H200 AromaticContact CE2-CD2 3.86Å; Y192-H200 AromaticContact CE2-NE2 3.59Å; R198-H200 PolarHBondContact O-N 3.05Å; H200-R227 WeakPolarHBondContact CE1-CB 3.33Å; H200-R227 PolarHBondContact CE1-OXT 3.3Å; H200-R227 PolarHBondContact NE2-OXT 3.05Å
201I96.3Very high95.1Very high31 Ų3194 Ų9416%0.15945%0.449CS..PPolyproline II helixtrans-58.4143.3166.659.3173.9000110.1Y192 E225 R227Y192-I201 PolarHBondContact O-N 2.94Å; I201-E225 HydrophobicContact CD1-CG 4.16Å; I201-R227 HydrophobicContact CD1-CB 3.73Å; I201-R227 HydrophobicContact CG1-CB 3.66Å
202P95.5Very high94.9Very high76 Ų7692.2 Ų92.249%0.49445%0.445SS..PPolyproline II helixtrans-61.7150.8179.726.9-35.2000110.6
203Y95.6Very high94.8Very high103 Ų10393.5 Ų93.540%0.40446%0.461SS..PPolyproline II helixtrans-63.7136.4169.3-176.1-101.3000110.2E205 I224Y203-E205 HydrophobicContact CD1-CG 4.48Å; Y203-E205 HydrophobicContact CE1-CG 3.53Å; Y203-E205 WeakPolarHBondContact CE1-OE1 3.48Å; Y203-E205 VanDerWaalsContact CZ-OE1 3.27Å; Y203-E205 PolarHBondContact OH-OE1 3.25Å; Y203-I224 HydrophobicContact CD2-CG2 4.23Å; Y203-I224 HydrophobicContact CE2-CG2 3.42Å; Y203-I224 VanDerWaalsContact CE2-CG2 3.42Å; Y203-I224 WeakPolarHBondContact OH-CD1 3.44Å
204R93.8Very high94.8Very high138 Ų13899.6 Ų99.652%0.52148%0.484SS..  trans-146.6146.5176.7-64.5-176.1178.2-179.9-0.6109.5E225R204-E225 HydrophobicContact CB-CB 4.05Å; R204-E225 WeakPolarHBondContact O-CB 3.49Å; R204-E225 PolarHBondContact O-N 2.87Å
205E94.3Very high94.9Very high108 Ų108100.9 Ų100.951%0.50549%0.485SS..  trans-111.6-169.6173.6-60.1-176.317100109.3Y203 K207 G223 I224Y203-E205 HydrophobicContact CD1-CG 4.48Å; Y203-E205 HydrophobicContact CE1-CG 3.53Å; Y203-E205 WeakPolarHBondContact CE1-OE1 3.48Å; Y203-E205 VanDerWaalsContact CZ-OE1 3.27Å; Y203-E205 PolarHBondContact OH-OE1 3.25Å; E205-K207 PolarHBondContact O-N 3.24Å; E205-G223 CarbonylContact C-O 3.55Å; E205-G223 VanDerWaalsContact C-O 3.29Å; E205-G223 WeakPolarHBondContact CA-O 3.22Å; E205-I224 HydrophobicContact CG-CG1 4.39Å
206D93.3Very high95Very high157 Ų15797.4 Ų97.484%0.8447%0.47SS*.  trans56.532177.9-53.3-45.3000114.5G223D206-G223 PolarHBondContact N-O 3.26Å
207K92.7Very high95.1Very high88 Ų8890 Ų9038%0.38345%0.452SS..PPolyproline II helixtrans-89.1136.1174.4-53.2-60.5-76.6175.60110.2E205 G223 E225E205-K207 PolarHBondContact O-N 3.24Å; K207-G223 WeakPolarHBondContact CB-O 3.41Å; K207-G223 WeakPolarHBondContact CG-O 3.35Å; K207-G223 PolarHBondContact N-O 3.33Å; K207-G223 WeakPolarHBondContact O-CA 3.47Å; K207-E225 WeakPolarHBondContact CE-OE1 3.35Å; K207-E225 HydrophobicContact CG-CB 3.92Å; K207-E225 IonicContact NZ-OE1 3.74Å
208N92.6Very high95.1Very high149 Ų14992.5 Ų92.580%0.79746%0.461SS*.PPolyproline II helixtrans-61.1140.3165.5-67.2-21.7000110.3T210N208-T210 PolarHBondContact O-N 3.22Å; N208-T210 PolarHBondContact O-OG1 3.18Å
209L92.9Very high95.1Very high71 Ų7190.9 Ų90.937%0.37246%0.462SS..PPolyproline II helixtrans-55123.4173.9-17964.4000109.9A213 A216 A220L209-A213 HydrophobicContact CD2-CB 3.81Å; L209-A216 HydrophobicContact CD1-CB 3.8Å; L209-A220 HydrophobicContact CD1-CB 3.99Å
210T92.2Very high95Very high43 Ų4384.3 Ų84.326%0.26443%0.432SS..  trans-114.3131.6175.4-56.90000108.8L188 N208 Q226L188-T210 HydrophobicContact CB-CG2 4.39Å; L188-T210 HydrophobicContact CD1-CG2 4.13Å; L188-T210 HydrophobicContact CD2-CG2 4.07Å; L188-T210 HydrophobicContact CG-CG2 4.43Å; N208-T210 PolarHBondContact O-N 3.22Å; N208-T210 PolarHBondContact O-OG1 3.18Å; T210-Q226 PolarHBondContact O-NE2 3.19Å
211G92.1Very high94.9Very high28 Ų2885.4 Ų85.429%0.28944%0.437SS..SBendtrans96.7-169.8-176.500000112.8D136D136-G211 WeakPolarHBondContact OD1-CA 3.49Å
212T94.1Very high94.8Very high49 Ų4989.6 Ų89.630%0.30146%0.46SS..  trans-84.3116.2-172.8-56.30000112.3D136 K138 R214 Y215 A216D136-T212 WeakPolarHBondContact OD1-CB 3.22Å; D136-T212 PolarHBondContact OD1-N 3.26Å; D136-T212 PolarHBondContact OD1-OG1 2.96Å; K138-T212 WeakPolarHBondContact CD-OG1 3.34Å; T212-R214 VanDerWaalsContact C-N 3.27Å; T212-R214 HydrophobicContact CG2-CB 4.47Å; T212-R214 PolarHBondContact O-N 2.84Å; T212-R214 VanDerWaalsContact O-N 3.1Å; T212-Y215 HydrophobicContact CG2-CD2 3.78Å; T212-Y215 HydrophobicContact CG2-CE2 4.04Å; T212-Y215 PolarHBondContact O-N 3.39Å; T212-Y215 VanDerWaalsContact O-N 3.08Å; T212-A216 PolarHBondContact O-N 3.23Å
213A95.6Very high94.8Very high51 Ų5186.5 Ų86.542%0.42144%0.441SS..G310 helixtrans-53.6-35.3-173.500000115.3L209 Y215 A216 H221L209-A213 HydrophobicContact CD2-CB 3.81Å; A213-Y215 VanDerWaalsContact C-N 3.26Å; A213-Y215 PolarHBondContact O-N 2.64Å; A213-A216 PolarHBondContact O-N 3.46Å; A213-H221 PolarHBondContact O-NE2 3.48Å
214R97.4Very high94.7Very high187 Ų18782.9 Ų82.971%0.70643%0.428SS*.G310 helixtrans-60.3-33.7-179.9-175-175.3-68.1162.80.5113.2T212T212-R214 VanDerWaalsContact C-N 3.27Å; T212-R214 HydrophobicContact CG2-CB 4.47Å; T212-R214 PolarHBondContact O-N 2.84Å; T212-R214 VanDerWaalsContact O-N 3.1Å
215Y96.5Very high94.7Very high85 Ų8577 Ų7733%0.33341%0.407SS..G310 helixtrans-111.12.4-173.7-48.5-67000112.4I137 K138 P139 T212 A213I137-Y215 VanDerWaalsContact O-CB 3.3Å; I137-Y215 WeakPolarHBondContact O-CB 3.39Å; K138-Y215 HydrophobicContact CB-CD2 3.46Å; K138-Y215 VanDerWaalsContact CB-CD2 3.46Å; K138-Y215 HydrophobicContact CB-CE2 3.54Å; K138-Y215 HydrophobicContact CB-CG 4.4Å; P139-Y215 VanDerWaalsContact CD-CZ 3.44Å; P139-Y215 HydrophobicContact CG-CE1 4.43Å; T212-Y215 HydrophobicContact CG2-CD2 3.78Å; T212-Y215 HydrophobicContact CG2-CE2 4.04Å; T212-Y215 PolarHBondContact O-N 3.39Å; T212-Y215 VanDerWaalsContact O-N 3.08Å; A213-Y215 VanDerWaalsContact C-N 3.26Å; A213-Y215 PolarHBondContact O-N 2.64Å
216A96.2Very high94.5Very high28 Ų2874.4 Ų74.423%0.23140%0.395CS..  trans-69.3145-178.200000111.5L209 T212 A213 A220L209-A216 HydrophobicContact CD1-CB 3.8Å; T212-A216 PolarHBondContact O-N 3.23Å; A213-A216 PolarHBondContact O-N 3.46Å; A216-A220 HydrophobicContact CB-CB 4.36Å
217S97.1Very high94.2Very high65 Ų6573.4 Ų73.446%0.45538%0.379SS..  trans-67.5156.9174.767.60000111.3N219 A220 H221S217-N219 PolarHBondContact O-N 3.38Å; S217-A220 WeakPolarHBondContact O-CB 3.39Å; S217-A220 PolarHBondContact O-N 2.85Å; S217-A220 WeakPolarHBondContact OG-CB 3.42Å; S217-A220 PolarHBondContact OG-N 3.02Å; S217-H221 PolarHBondContact O-N 3.17Å; S217-H221 VanDerWaalsContact O-N 3.11Å
218I97.2Very high94.2Very high133 Ų13372.7 Ų72.768%0.68238%0.379SS*.Hα-helixtrans-54.6-44.8175.6-63.2171.1000110.3A220 H221 L222I218-A220 VanDerWaalsContact C-N 3.32Å; I218-A220 PolarHBondContact O-N 2.98Å; I218-H221 WeakPolarHBondContact O-CB 3.46Å; I218-H221 PolarHBondContact O-N 3.22Å; I218-H221 VanDerWaalsContact O-N 3.11Å; I218-L222 HydrophobicContact CG2-CD1 4.04Å; I218-L222 HydrophobicContact CG2-CG 4.42Å; I218-L222 WeakPolarHBondContact O-CG 3.29Å; I218-L222 PolarHBondContact O-N 3.35Å
219N96.9Very high94.3Very high92 Ų9268.7 Ų68.749%0.49236%0.357SS..Hα-helixtrans-61-38.5178-71.2-10.9000112.7S217 H221 L222 G223 I224S217-N219 PolarHBondContact O-N 3.38Å; N219-H221 VanDerWaalsContact C-N 3.33Å; N219-H221 PolarHBondContact O-N 3.24Å; N219-L222 CarbonylContact O-C 3.55Å; N219-L222 PolarHBondContact O-N 3.23Å; N219-G223 PolarHBondContact O-N 2.93Å; N219-I224 HydrophobicContact CB-CB 4.07Å; N219-I224 HydrophobicContact CB-CD1 4Å; N219-I224 HydrophobicContact CB-CG2 4.44Å; N219-I224 VanDerWaalsContact O-CB 3.29Å; N219-I224 WeakPolarHBondContact O-CB 3.16Å; N219-I224 PolarHBondContact O-N 3.4Å
220A95.4Very high94.4Very high6 Ų668.6 Ų68.65%0.0536%0.356CS..Hα-helixtrans-66.5-35.1176.100000112.3L209 A216 S217 I218 L222 G223 Q226L209-A220 HydrophobicContact CD1-CB 3.99Å; A216-A220 HydrophobicContact CB-CB 4.36Å; S217-A220 WeakPolarHBondContact O-CB 3.39Å; S217-A220 PolarHBondContact O-N 2.85Å; S217-A220 WeakPolarHBondContact OG-CB 3.42Å; S217-A220 PolarHBondContact OG-N 3.02Å; I218-A220 VanDerWaalsContact C-N 3.32Å; I218-A220 PolarHBondContact O-N 2.98Å; A220-L222 VanDerWaalsContact C-N 3.34Å; A220-G223 PolarHBondContact O-N 3.38Å; A220-Q226 HydrophobicContact CB-CG 4.32Å
221H95.3Very high94.5Very high105 Ų10570.1 Ų70.149%0.48636%0.362SS..Hα-helixtrans-66.9-34.4172-82.6-67.1000112.8A213 S217 I218 N219 G223A213-H221 PolarHBondContact O-NE2 3.48Å; S217-H221 PolarHBondContact O-N 3.17Å; S217-H221 VanDerWaalsContact O-N 3.11Å; I218-H221 WeakPolarHBondContact O-CB 3.46Å; I218-H221 PolarHBondContact O-N 3.22Å; I218-H221 VanDerWaalsContact O-N 3.11Å; N219-H221 VanDerWaalsContact C-N 3.33Å; N219-H221 PolarHBondContact O-N 3.24Å; H221-G223 PolarHBondContact O-N 3.11Å
222L95.3Very high94.7Very high120 Ų12072.7 Ų72.763%0.62837%0.366SS*.THydrogen-bonded Turntrans-76.25.9174.3-63.4174.8000113.5I218 N219 A220 I224I218-L222 HydrophobicContact CG2-CD1 4.04Å; I218-L222 HydrophobicContact CG2-CG 4.42Å; I218-L222 WeakPolarHBondContact O-CG 3.29Å; I218-L222 PolarHBondContact O-N 3.35Å; N219-L222 CarbonylContact O-C 3.55Å; N219-L222 PolarHBondContact O-N 3.23Å; A220-L222 VanDerWaalsContact C-N 3.34Å; L222-I224 VanDerWaalsContact C-N 3.27Å; L222-I224 HydrophobicContact CB-CD1 4.32Å; L222-I224 HydrophobicContact CB-CG1 4.31Å; L222-I224 PolarHBondContact O-N 2.83Å
223G93.8Very high94.7Very high10 Ų1074.3 Ų74.310%0.10337%0.371CS..THydrogen-bonded Turntrans73.615.2179.600000114.5E205 D206 K207 N219 A220 H221E205-G223 CarbonylContact C-O 3.55Å; E205-G223 VanDerWaalsContact C-O 3.29Å; E205-G223 WeakPolarHBondContact CA-O 3.22Å; D206-G223 PolarHBondContact N-O 3.26Å; K207-G223 WeakPolarHBondContact CB-O 3.41Å; K207-G223 WeakPolarHBondContact CG-O 3.35Å; K207-G223 PolarHBondContact N-O 3.33Å; K207-G223 WeakPolarHBondContact O-CA 3.47Å; N219-G223 PolarHBondContact O-N 2.93Å; A220-G223 PolarHBondContact O-N 3.38Å; H221-G223 PolarHBondContact O-N 3.11Å
224I94.9Very high94.7Very high27 Ų2775.9 Ų75.914%0.13837%0.367CS..PPolyproline II helixtrans-76.9134.8175.8-59.4171.9000109.5Y203 E205 N219 L222 Q226Y203-I224 HydrophobicContact CD2-CG2 4.23Å; Y203-I224 HydrophobicContact CE2-CG2 3.42Å; Y203-I224 VanDerWaalsContact CE2-CG2 3.42Å; Y203-I224 WeakPolarHBondContact OH-CD1 3.44Å; E205-I224 HydrophobicContact CG-CG1 4.39Å; N219-I224 HydrophobicContact CB-CB 4.07Å; N219-I224 HydrophobicContact CB-CD1 4Å; N219-I224 HydrophobicContact CB-CG2 4.44Å; N219-I224 VanDerWaalsContact O-CB 3.29Å; N219-I224 WeakPolarHBondContact O-CB 3.16Å; N219-I224 PolarHBondContact O-N 3.4Å; L222-I224 VanDerWaalsContact C-N 3.27Å; L222-I224 HydrophobicContact CB-CD1 4.32Å; L222-I224 HydrophobicContact CB-CG1 4.31Å; L222-I224 PolarHBondContact O-N 2.83Å; I224-Q226 PolarHBondContact O-N 2.59Å
225E92.7Very high94.5Very high15 Ų1567.4 Ų67.47%0.0734%0.341CS..PPolyproline II helixtrans-62121.2178.1-175.3155.8-114.200111.5K190 I201 R204 K207 R227K190-E225 IonicContact NZ-OE1 3.15Å; K190-E225 PolarHBondContact NZ-OE1 2.98Å; K190-E225 IonicContact NZ-OE2 3.94Å; K190-E225 PolarHBondContact NZ-OE2 3.12Å; I201-E225 HydrophobicContact CD1-CG 4.16Å; R204-E225 HydrophobicContact CB-CB 4.05Å; R204-E225 WeakPolarHBondContact O-CB 3.49Å; R204-E225 PolarHBondContact O-N 2.87Å; K207-E225 WeakPolarHBondContact CE-OE1 3.35Å; K207-E225 HydrophobicContact CG-CB 3.92Å; K207-E225 IonicContact NZ-OE1 3.74Å; E225-R227 PolarHBondContact O-N 3.18Å
226Q90.6Very high94.3Very high54 Ų5465.9 Ų65.925%0.25234%0.342SS..PPolyproline II helixtrans-60.6121.4170.8-61-178.551.500108.8I133 R135 T210 A220 I224I133-Q226 VanDerWaalsContact CD1-C 3.48Å; I133-Q226 HydrophobicContact CD1-CB 3.82Å; I133-Q226 WeakPolarHBondContact CD1-O 3.44Å; R135-Q226 HydrophobicContact CG-CB 4.34Å; T210-Q226 PolarHBondContact O-NE2 3.19Å; A220-Q226 HydrophobicContact CB-CG 4.32Å; I224-Q226 PolarHBondContact O-N 2.59Å
227R86.1Confident94.1Very high136 Ų13669.4 Ų69.451%0.51335%0.352SS..  trans-141.90-173.670172.7-177.5163.4-3.8108.8Y192 H200 I201 E225Y192-R227 WeakPolarHBondContact CB-OXT 3.5Å; Y192-R227 VanDerWaalsContact CD2-OXT 3.23Å; Y192-R227 WeakPolarHBondContact CD2-OXT 3.18Å; H200-R227 WeakPolarHBondContact CE1-CB 3.33Å; H200-R227 PolarHBondContact CE1-OXT 3.3Å; H200-R227 PolarHBondContact NE2-OXT 3.05Å; I201-R227 HydrophobicContact CD1-CB 3.73Å; I201-R227 HydrophobicContact CG1-CB 3.66Å; E225-R227 PolarHBondContact O-N 3.18Å

Retrieved 227 of 227 residues in 70.9 ms (Link to these results)

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