A0A2R8Q421_DANRE Loading...

Casein kinase I isoform alpha

AlphaFold DB , UniProt , Accession A0A2R8Q421, Species DANRE (Danio rerio, Zebrafish), Gene csnk1a1, Length 364 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
1M35.3Very low49.2Very low249 Ų249122.3 Ų122.3100%1.22777%0.768SS**  0108.30-66.6-164.9-159.300108
2A33.8Very low53Low108 Ų108116.8 Ų116.889%0.89373%0.728SS**  trans-82.4122.6176.800000108.7S4A2-S4 PolarHBondContact O-N 3.49Å
3S36Very low56.2Low121 Ų121107.8 Ų107.885%0.84667%0.672SS**  trans-72.7120.3175.350.20000109.6S5S3-S5 PolarHBondContact O-N 3.2Å
4S38Very low58.8Low114 Ų114101.7 Ų101.780%0.79764%0.641SS**  trans-64.7114.5175.661.20000110.3A2 G6A2-S4 PolarHBondContact O-N 3.49Å; S4-G6 PolarHBondContact O-N 3.32Å
5S41.5Very low61.2Low117 Ų11799.3 Ų99.382%0.81864%0.643SS**  trans-67.694.6162.255.90000108.1S3 S7S3-S5 PolarHBondContact O-N 3.2Å; S5-S7 PolarHBondContact O-N 2.82Å
6G34.6Very low63.4Low71 Ų7198.2 Ų98.273%0.73263%0.625SS**  trans-56.8112.3173.700000109.6S4 K8S4-G6 PolarHBondContact O-N 3.32Å; G6-K8 PolarHBondContact O-N 2.97Å; G6-K8 VanDerWaalsContact O-N 3.1Å
7S42Very low65.4Low111 Ų11192.8 Ų92.878%0.77659%0.59SS**  trans-56.3116.1169.154.60000107.7S5 A9S5-S7 PolarHBondContact O-N 2.82Å; S7-A9 PolarHBondContact O-N 3.1Å
8K53.1Low67.1Low202 Ų20291.4 Ų91.488%0.87857%0.573SS**  trans-54.2110.8168.9-94.4-178.9175.2176.40107.2G6 E10G6-K8 PolarHBondContact O-N 2.97Å; G6-K8 VanDerWaalsContact O-N 3.1Å; K8-E10 PolarHBondContact O-N 3.45Å
9A60.6Low68.7Low87 Ų8787.9 Ų87.972%0.71955%0.55SS*.  trans-52.6125178.600000109.1S7 F11S7-A9 PolarHBondContact O-N 3.1Å; A9-F11 PolarHBondContact O-N 3.42Å
10E77.1Confident70Confident119 Ų11987.5 Ų87.556%0.55655%0.546SS*.  trans-63.7122-179.4-58-163.1157.500109.1K8 I12 K18K8-E10 PolarHBondContact O-N 3.45Å; E10-I12 HydrophobicContact CB-CG1 4.45Å; E10-I12 PolarHBondContact O-N 2.83Å; E10-K18 VanDerWaalsContact CD-CE 3.45Å; E10-K18 WeakPolarHBondContact OE1-CE 3.27Å; E10-K18 IonicContact OE1-NZ 3.23Å; E10-K18 PolarHBondContact OE1-NZ 3.05Å; E10-K18 VanDerWaalsContact OE2-CE 3.25Å; E10-K18 WeakPolarHBondContact OE2-CE 3.42Å; E10-K18 IonicContact OE2-NZ 2.69Å; E10-K18 PolarHBondContact OE2-NZ 3.27Å
11F89.4Confident71.2Confident46 Ų4688.5 Ų88.520%0.20254%0.54CS..  trans-88.999178.3-160.9-80.3000108.6A9 V13 L19 L47 E82 K83 Y85A9-F11 PolarHBondContact O-N 3.42Å; F11-V13 HydrophobicContact CD1-CG1 3.71Å; F11-V13 HydrophobicContact CE1-CG1 3.37Å; F11-L19 HydrophobicContact CB-CB 4.47Å; F11-L19 HydrophobicContact CD1-CD1 4.03Å; F11-L19 HydrophobicContact CD1-CD2 3.76Å; F11-L19 HydrophobicContact CD1-CG 4.36Å; F11-L19 HydrophobicContact CE1-CD2 4.25Å; F11-L19 HydrophobicContact CG-CD2 4.46Å; F11-L19 PolarHBondContact O-N 2.92Å; F11-L47 HydrophobicContact CE1-CD1 4.38Å; F11-E82 HydrophobicContact CE1-CG 4.48Å; F11-K83 HydrophobicContact CD2-CD 4.35Å; F11-K83 HydrophobicContact CE2-CD 3.67Å; F11-K83 HydrophobicContact CZ-CD 4.28Å; F11-Y85 HydrophobicContact CZ-CD2 4.17Å
12I94.4Very high74Confident56 Ų5681.1 Ų81.129%0.28750%0.501SS..EExtended strand (participates in β ladder)trans-104127.4177.3-57.1176000107.9E10 Y17 K18E10-I12 HydrophobicContact CB-CG1 4.45Å; E10-I12 PolarHBondContact O-N 2.83Å; I12-Y17 CarbonylContact C-O 3.5Å; I12-Y17 WeakPolarHBondContact CA-O 3.19Å; I12-K18 HydrophobicContact CG1-CB 4.29Å
13V94.9Very high76.8Confident0 Ų079.8 Ų79.80%048%0.478CS..EExtended strand (participates in β ladder)trans-107.5143.3175.9-57.70000110.8F11 G15 K16 Y17 L19 V45 W78 E82 V87 V89F11-V13 HydrophobicContact CD1-CG1 3.71Å; F11-V13 HydrophobicContact CE1-CG1 3.37Å; V13-G15 PolarHBondContact O-N 2.65Å; V13-G15 VanDerWaalsContact O-N 3.14Å; V13-K16 PolarHBondContact O-N 3.25Å; V13-Y17 HydrophobicContact CG2-CD2 4.44Å; V13-Y17 PolarHBondContact N-O 3.14Å; V13-Y17 WeakPolarHBondContact O-CD2 3.3Å; V13-Y17 PolarHBondContact O-N 3.08Å; V13-L19 HydrophobicContact CG1-CD1 3.83Å; V13-L19 HydrophobicContact CG2-CD1 3.98Å; V13-V45 HydrophobicContact CG2-CG1 4.13Å; V13-V45 HydrophobicContact CG2-CG2 4.44Å; V13-W78 HydrophobicContact CB-CZ3 4.39Å; V13-E82 HydrophobicContact CB-CB 4.45Å; V13-E82 HydrophobicContact CB-CG 4.4Å; V13-E82 HydrophobicContact CG1-CB 4.13Å; V13-E82 HydrophobicContact CG1-CG 4.05Å; V13-V87 HydrophobicContact CB-CG1 3.96Å; V13-V87 HydrophobicContact CG1-CG1 4.03Å; V13-V87 HydrophobicContact CG1-CG2 4.27Å; V13-V87 HydrophobicContact CG2-CG1 3.91Å; V13-V89 HydrophobicContact CG2-CG2 4.11Å
14G92.7Very high79.3Confident23 Ų2375.3 Ų75.324%0.23745%0.451CS..THydrogen-bonded Turntrans59.528.5176.100000113.1K16 E82G14-K16 PolarHBondContact O-N 2.88Å; G14-K16 VanDerWaalsContact O-N 3.07Å; G14-E82 PolarHBondContact N-OE2 3.4Å
15G94.3Very high81.6Confident65 Ų6574 Ų7467%0.6744%0.442SS*.THydrogen-bonded Turntrans69.3-4.2178.700000116.6V13V13-G15 PolarHBondContact O-N 2.65Å; V13-G15 VanDerWaalsContact O-N 3.14Å
16K96.3Very high82.9Confident82 Ų8269.9 Ų69.936%0.35742%0.418SS..THydrogen-bonded Turntrans-147.3-9.1-17367.8-170.2178.4-179.80116.9V13 G14 N36 I37 T38V13-K16 PolarHBondContact O-N 3.25Å; G14-K16 PolarHBondContact O-N 2.88Å; G14-K16 VanDerWaalsContact O-N 3.07Å; K16-N36 CarbonylContact O-C 3.59Å; K16-N36 WeakPolarHBondContact O-CA 3.32Å; K16-I37 HydrophobicContact CB-CG1 4.37Å; K16-I37 WeakPolarHBondContact O-CG1 3.16Å; K16-I37 PolarHBondContact O-N 3.14Å; K16-T38 HydrophobicContact CB-CG2 4.33Å
17Y97.6Very high84.4Confident7 Ų769.1 Ų69.13%0.02740%0.401CS..EExtended strand (participates in β ladder)trans-106.1104.5-178.5-56.6-75.8000110.4I12 V13 N36 V43 W78 V89I12-Y17 CarbonylContact C-O 3.5Å; I12-Y17 WeakPolarHBondContact CA-O 3.19Å; V13-Y17 HydrophobicContact CG2-CD2 4.44Å; V13-Y17 PolarHBondContact N-O 3.14Å; V13-Y17 WeakPolarHBondContact O-CD2 3.3Å; V13-Y17 PolarHBondContact O-N 3.08Å; Y17-N36 HydrophobicContact CD1-CB 3.89Å; Y17-N36 HydrophobicContact CE1-CB 3.89Å; Y17-V43 HydrophobicContact CD1-CG2 3.67Å; Y17-V43 HydrophobicContact CE1-CG1 4.28Å; Y17-V43 HydrophobicContact CE1-CG2 4.18Å; Y17-V43 HydrophobicContact CG-CG2 4.45Å; Y17-W78 HydrophobicContact CE2-CB 4.12Å; Y17-V89 HydrophobicContact CD1-CG1 3.98Å; Y17-V89 HydrophobicContact CD2-CG1 4.14Å; Y17-V89 HydrophobicContact CD2-CG2 3.9Å; Y17-V89 HydrophobicContact CE1-CG1 3.91Å; Y17-V89 HydrophobicContact CE2-CB 4.43Å; Y17-V89 HydrophobicContact CE2-CG1 4.08Å; Y17-V89 HydrophobicContact CE2-CG2 4.21Å; Y17-V89 HydrophobicContact CG-CG1 4.08Å; Y17-V89 HydrophobicContact CG-CG2 4.31Å
18K97.1Very high85.9Confident68 Ų6866 Ų6630%0.29637%0.374SS..EExtended strand (participates in β ladder)trans-85.4118.4179.9177.9175.5177.5166.10110.3E10 I12 A34 I35 I37E10-K18 VanDerWaalsContact CD-CE 3.45Å; E10-K18 WeakPolarHBondContact OE1-CE 3.27Å; E10-K18 IonicContact OE1-NZ 3.23Å; E10-K18 PolarHBondContact OE1-NZ 3.05Å; E10-K18 VanDerWaalsContact OE2-CE 3.25Å; E10-K18 WeakPolarHBondContact OE2-CE 3.42Å; E10-K18 IonicContact OE2-NZ 2.69Å; E10-K18 PolarHBondContact OE2-NZ 3.27Å; I12-K18 HydrophobicContact CG1-CB 4.29Å; K18-A34 CarbonylContact O-C 3.6Å; K18-A34 WeakPolarHBondContact O-CA 3.43Å; K18-A34 VanDerWaalsContact O-CB 3.28Å; K18-A34 WeakPolarHBondContact O-CB 3.27Å; K18-I35 PolarHBondContact N-O 3.03Å; K18-I35 PolarHBondContact O-N 3.07Å; K18-I37 HydrophobicContact CB-CG2 3.67Å; K18-I37 HydrophobicContact CD-CG2 4.44Å
19L96.1Very high87.4Confident25 Ų2557.3 Ų57.313%0.13134%0.341CS..EExtended strand (participates in β ladder)trans-67.2135.9175.8-85.763.2000110.7F11 V13 Y32 A34 V45 L47F11-L19 HydrophobicContact CB-CB 4.47Å; F11-L19 HydrophobicContact CD1-CD1 4.03Å; F11-L19 HydrophobicContact CD1-CD2 3.76Å; F11-L19 HydrophobicContact CD1-CG 4.36Å; F11-L19 HydrophobicContact CE1-CD2 4.25Å; F11-L19 HydrophobicContact CG-CD2 4.46Å; F11-L19 PolarHBondContact O-N 2.92Å; V13-L19 HydrophobicContact CG1-CD1 3.83Å; V13-L19 HydrophobicContact CG2-CD1 3.98Å; L19-Y32 HydrophobicContact CD2-CD1 4Å; L19-Y32 HydrophobicContact CD2-CD2 4.12Å; L19-Y32 HydrophobicContact CD2-CG 3.78Å; L19-Y32 HydrophobicContact CG-CD1 4.47Å; L19-Y32 HydrophobicContact CG-CG 4.25Å; L19-A34 HydrophobicContact CD1-CB 4.23Å; L19-V45 HydrophobicContact CD1-CB 4.47Å; L19-V45 HydrophobicContact CD1-CG1 4.27Å; L19-V45 HydrophobicContact CD1-CG2 4.38Å; L19-L47 HydrophobicContact CD2-CD1 3.74Å
20V95.5Very high88.9Confident78 Ų7855.6 Ų55.647%0.47332%0.32SS..EExtended strand (participates in β ladder)trans-108.9-65.3-177.1-1790000110.7L33 I35V20-L33 HydrophobicContact CB-CD2 4.45Å; V20-L33 HydrophobicContact CB-CG 4.33Å; V20-L33 WeakPolarHBondContact CB-O 3.45Å; V20-L33 HydrophobicContact CG1-CD2 4.49Å; V20-L33 PolarHBondContact N-O 3.33Å; V20-I35 HydrophobicContact CG2-CB 4.44Å; V20-I35 HydrophobicContact CG2-CD1 3.68Å; V20-I35 HydrophobicContact CG2-CG1 3.76Å
21R94.3Very high89.7Confident109 Ų10951.6 Ų51.641%0.41130%0.302SS..EExtended strand (participates in β ladder)trans-148.5150.2-177.365.1-179.8179.8-171.7-0.9111.1I23 Y32 L33R21-I23 HydrophobicContact CG-CG2 4.17Å; R21-I23 PolarHBondContact O-N 3.34Å; R21-Y32 CarbonylContact O-C 3.5Å; R21-Y32 WeakPolarHBondContact O-CA 3.41Å; R21-L33 HydrophobicContact CG-CB 4.22Å; R21-L33 HydrophobicContact CG-CD2 4.32Å; R21-L33 PolarHBondContact O-N 3.04Å
22K94.8Very high90Very high94 Ų9452.2 Ų52.241%0.40930%0.304SS..EExtended strand (participates in β ladder)trans-66.7130.9169.6-172172.4179.4166.40108.7G24 S25 D30 Y32K22-G24 VanDerWaalsContact CE-O 3.26Å; K22-G24 WeakPolarHBondContact CE-O 3.49Å; K22-S25 WeakPolarHBondContact CE-OG 3.44Å; K22-S25 PolarHBondContact NZ-OG 2.82Å; K22-D30 HydrophobicContact CD-CB 4.49Å; K22-D30 VanDerWaalsContact CE-OD1 3.27Å; K22-D30 WeakPolarHBondContact CE-OD1 3.47Å; K22-D30 IonicContact NZ-OD1 2.76Å; K22-D30 PolarHBondContact NZ-OD1 3.23Å; K22-D30 IonicContact NZ-OD2 2.7Å; K22-D30 PolarHBondContact NZ-OD2 3.26Å; K22-Y32 HydrophobicContact CB-CD1 4.07Å; K22-Y32 HydrophobicContact CB-CE1 3.75Å; K22-Y32 HydrophobicContact CG-CE1 4.44Å
23I92.4Very high90.1Very high80 Ų8050.3 Ų50.341%0.4129%0.294SS..EExtended strand (participates in β ladder)trans-115.5-12.7179.159.5175.4000112.7R21 I31 L33 L92R21-I23 HydrophobicContact CG-CG2 4.17Å; R21-I23 PolarHBondContact O-N 3.34Å; I23-I31 HydrophobicContact CD1-CG2 3.93Å; I23-I31 HydrophobicContact CG1-CB 4.2Å; I23-I31 HydrophobicContact CG1-CG2 3.77Å; I23-I31 WeakPolarHBondContact CG1-O 3.42Å; I23-I31 PolarHBondContact N-O 2.82Å; I23-L33 HydrophobicContact CD1-CB 4.47Å; I23-L33 HydrophobicContact CG2-CB 3.69Å; I23-L92 HydrophobicContact CD1-CD1 3.68Å
24G88.9Confident90.3Very high28 Ų2850.3 Ų50.329%0.28929%0.294SS..EExtended strand (participates in β ladder)trans-175.1179.2174.700000112.5K22 I31K22-G24 VanDerWaalsContact CE-O 3.26Å; K22-G24 WeakPolarHBondContact CE-O 3.49Å; G24-I31 PolarHBondContact N-O 3.01Å; G24-I31 PolarHBondContact O-N 2.82Å
25S85.7Confident90.5Very high85 Ų8552 Ų5259%0.59430%0.297SS*.EExtended strand (participates in β ladder)trans-126.4129.9167.6-56.60000107.5K22 D30K22-S25 WeakPolarHBondContact CE-OG 3.44Å; K22-S25 PolarHBondContact NZ-OG 2.82Å; S25-D30 PolarHBondContact OG-OD1 3.01Å
26G69.9Low90.6Very high31 Ų3149.2 Ų49.232%0.3227%0.267SS..EExtended strand (participates in β ladder)trans-93.7-179.2172.200000111.6F28 G29G26-F28 PolarHBondContact O-N 3.25Å; G26-F28 VanDerWaalsContact O-N 3.12Å; G26-G29 PolarHBondContact N-O 3.3Å
27S66.2Low90.5Very high55 Ų5549.6 Ų49.639%0.38527%0.272SS..THydrogen-bonded Turntrans-59.7-23.6179.2-55.20000113.8D185S27-D185 PolarHBondContact OG-OD2 2.86Å
28F72.9Confident90.5Very high46 Ų4654.2 Ų54.220%0.20230%0.301CS..THydrogen-bonded Turntrans-132.49.7-169.9-48.2-64.1000114.2G26 Q56 L188G26-F28 PolarHBondContact O-N 3.25Å; G26-F28 VanDerWaalsContact O-N 3.12Å; F28-Q56 HydrophobicContact CD1-CG 4.3Å; F28-Q56 HydrophobicContact CD2-CB 4.31Å; F28-Q56 VanDerWaalsContact CE1-OE1 3.24Å; F28-Q56 HydrophobicContact CG-CB 4.26Å; F28-Q56 HydrophobicContact CG-CG 4.43Å; F28-L188 HydrophobicContact CE1-CD2 4.41Å; F28-L188 HydrophobicContact CE2-CD2 4.46Å; F28-L188 HydrophobicContact CE2-CG 4.26Å; F28-L188 HydrophobicContact CZ-CD1 4.45Å; F28-L188 HydrophobicContact CZ-CD2 3.63Å; F28-L188 HydrophobicContact CZ-CG 3.77Å
29G84.1Confident90.3Very high19 Ų1955.7 Ų55.720%0.19631%0.312CS..EExtended strand (participates in β ladder)trans167.2-174.9-175.500000113.9G26 L47G26-G29 PolarHBondContact N-O 3.3Å; G29-L47 CarbonylContact C-O 3.54Å; G29-L47 WeakPolarHBondContact CA-O 3.33Å
30D92.1Very high90.2Very high52 Ų5256.9 Ų56.928%0.27833%0.331SS..EExtended strand (participates in β ladder)trans-99.9144.9-177.7-73.5-19.9000111.2K22 S25 Y32 K46 L47K22-D30 HydrophobicContact CD-CB 4.49Å; K22-D30 VanDerWaalsContact CE-OD1 3.27Å; K22-D30 WeakPolarHBondContact CE-OD1 3.47Å; K22-D30 IonicContact NZ-OD1 2.76Å; K22-D30 PolarHBondContact NZ-OD1 3.23Å; K22-D30 IonicContact NZ-OD2 2.7Å; K22-D30 PolarHBondContact NZ-OD2 3.26Å; S25-D30 PolarHBondContact OG-OD1 3.01Å; D30-Y32 HydrophobicContact CB-CD2 4.23Å; D30-Y32 HydrophobicContact CB-CE2 3.54Å; D30-K46 WeakPolarHBondContact O-CA 3.32Å; D30-L47 PolarHBondContact N-O 3.23Å; D30-L47 PolarHBondContact O-N 2.69Å
31I94.7Very high90.2Very high35 Ų3556.2 Ų56.218%0.17932%0.322CS..EExtended strand (participates in β ladder)trans-108.5128.8177.3-46.4-61.4000109.3I23 G24 A44 V45 K46I23-I31 HydrophobicContact CD1-CG2 3.93Å; I23-I31 HydrophobicContact CG1-CB 4.2Å; I23-I31 HydrophobicContact CG1-CG2 3.77Å; I23-I31 WeakPolarHBondContact CG1-O 3.42Å; I23-I31 PolarHBondContact N-O 2.82Å; G24-I31 PolarHBondContact N-O 3.01Å; G24-I31 PolarHBondContact O-N 2.82Å; I31-A44 HydrophobicContact CG2-CB 4.4Å; I31-V45 CarbonylContact C-O 3.53Å; I31-V45 WeakPolarHBondContact CA-O 3.3Å; I31-K46 HydrophobicContact CD1-CB 3.54Å; I31-K46 HydrophobicContact CD1-CD 3.65Å; I31-K46 HydrophobicContact CD1-CG 3.4Å; I31-K46 VanDerWaalsContact CD1-CG 3.4Å
32Y96.5Very high90.2Very high59 Ų5954.3 Ų54.323%0.23132%0.318CS..EExtended strand (participates in β ladder)trans-119.1143.5179.3-71.4-99.9000111.2L19 R21 K22 D30 A44 V45 L47L19-Y32 HydrophobicContact CD2-CD1 4Å; L19-Y32 HydrophobicContact CD2-CD2 4.12Å; L19-Y32 HydrophobicContact CD2-CG 3.78Å; L19-Y32 HydrophobicContact CG-CD1 4.47Å; L19-Y32 HydrophobicContact CG-CG 4.25Å; R21-Y32 CarbonylContact O-C 3.5Å; R21-Y32 WeakPolarHBondContact O-CA 3.41Å; K22-Y32 HydrophobicContact CB-CD1 4.07Å; K22-Y32 HydrophobicContact CB-CE1 3.75Å; K22-Y32 HydrophobicContact CG-CE1 4.44Å; D30-Y32 HydrophobicContact CB-CD2 4.23Å; D30-Y32 HydrophobicContact CB-CE2 3.54Å; Y32-A44 CarbonylContact O-C 3.57Å; Y32-A44 WeakPolarHBondContact O-CA 3.15Å; Y32-V45 PolarHBondContact N-O 3.31Å; Y32-V45 PolarHBondContact O-N 2.88Å; Y32-L47 HydrophobicContact CD2-CD1 4Å; Y32-L47 HydrophobicContact CD2-CG 4.33Å; Y32-L47 HydrophobicContact CE2-CD1 3.9Å
33L96.4Very high90.3Very high15 Ų1549.9 Ų49.98%0.07930%0.299CS..EExtended strand (participates in β ladder)trans-71.4130.1157.3173.164.8000107.8V20 R21 I23 E42 L92V20-L33 HydrophobicContact CB-CD2 4.45Å; V20-L33 HydrophobicContact CB-CG 4.33Å; V20-L33 WeakPolarHBondContact CB-O 3.45Å; V20-L33 HydrophobicContact CG1-CD2 4.49Å; V20-L33 PolarHBondContact N-O 3.33Å; R21-L33 HydrophobicContact CG-CB 4.22Å; R21-L33 HydrophobicContact CG-CD2 4.32Å; R21-L33 PolarHBondContact O-N 3.04Å; I23-L33 HydrophobicContact CD1-CB 4.47Å; I23-L33 HydrophobicContact CG2-CB 3.69Å; L33-E42 HydrophobicContact CD1-CB 4.01Å; L33-E42 HydrophobicContact CD1-CG 4.28Å; L33-L92 HydrophobicContact CD1-CD1 4.07Å; L33-L92 HydrophobicContact CD1-CD2 3.59Å; L33-L92 HydrophobicContact CD1-CG 4.45Å
34A97.3Very high90.6Very high0 Ų046.5 Ų46.50%028%0.283CS..EExtended strand (participates in β ladder)trans-128.1157.7169.200000111K18 L19 E42 V43 V45K18-A34 CarbonylContact O-C 3.6Å; K18-A34 WeakPolarHBondContact O-CA 3.43Å; K18-A34 VanDerWaalsContact O-CB 3.28Å; K18-A34 WeakPolarHBondContact O-CB 3.27Å; L19-A34 HydrophobicContact CD1-CB 4.23Å; A34-E42 WeakPolarHBondContact O-CA 3.27Å; A34-V43 HydrophobicContact CB-CG2 3.9Å; A34-V43 PolarHBondContact N-O 3.24Å; A34-V43 PolarHBondContact O-N 3.27Å; A34-V45 HydrophobicContact CB-CB 4.5Å; A34-V45 HydrophobicContact CB-CG2 3.41Å; A34-V45 VanDerWaalsContact CB-CG2 3.41Å
35I96.9Very high91Very high60 Ų6045.1 Ų45.131%0.30827%0.269SS..EExtended strand (participates in β ladder)trans-115128.4175.4-63.6168.2000107.8K18 V20 I37 E41 E42K18-I35 PolarHBondContact N-O 3.03Å; K18-I35 PolarHBondContact O-N 3.07Å; V20-I35 HydrophobicContact CG2-CB 4.44Å; V20-I35 HydrophobicContact CG2-CD1 3.68Å; V20-I35 HydrophobicContact CG2-CG1 3.76Å; I35-I37 PolarHBondContact O-N 2.82Å; I35-E41 CarbonylContact C-O 3.55Å; I35-E41 WeakPolarHBondContact CA-O 3.49Å; I35-E42 HydrophobicContact CG1-CG 4.29Å
36N96.3Very high91.4Very high6 Ų641.5 Ų41.53%0.03224%0.243CC..EExtended strand (participates in β ladder)trans-69.9112.1168.1179.4-9.5000108.8K16 Y17 T38 N39 G40 E41K16-N36 CarbonylContact O-C 3.59Å; K16-N36 WeakPolarHBondContact O-CA 3.32Å; Y17-N36 HydrophobicContact CD1-CB 3.89Å; Y17-N36 HydrophobicContact CE1-CB 3.89Å; N36-T38 PolarHBondContact O-N 3.06Å; N36-T38 VanDerWaalsContact O-N 3.14Å; N36-T38 PolarHBondContact OD1-N 3.18Å; N36-T38 VanDerWaalsContact OD1-N 3.08Å; N36-T38 PolarHBondContact OD1-OG1 3Å; N36-N39 WeakPolarHBondContact CB-OD1 3.34Å; N36-N39 PolarHBondContact ND2-ND2 2.75Å; N36-N39 PolarHBondContact ND2-OD1 3.11Å; N36-N39 VanDerWaalsContact ND2-OD1 3.1Å; N36-N39 PolarHBondContact O-N 3.29Å; N36-G40 WeakPolarHBondContact O-CA 3.34Å; N36-G40 PolarHBondContact O-N 2.67Å; N36-E41 HydrophobicContact CB-CB 4.13Å; N36-E41 PolarHBondContact N-O 2.76Å
37I96.2Very high92.7Very high90 Ų9040.7 Ų40.746%0.46223%0.231SC..THydrogen-bonded Turntrans-67.8-15.5-17368.1-173.3000113.4K16 K18 I35K16-I37 HydrophobicContact CB-CG1 4.37Å; K16-I37 WeakPolarHBondContact O-CG1 3.16Å; K16-I37 PolarHBondContact O-N 3.14Å; K18-I37 HydrophobicContact CB-CG2 3.67Å; K18-I37 HydrophobicContact CD-CG2 4.44Å; I35-I37 PolarHBondContact O-N 2.82Å
38T95.9Very high94.1Very high103 Ų10338.2 Ų38.263%0.63221%0.213SC*.THydrogen-bonded Turntrans-83.9-31.8-178.462.60000113.3K16 N36K16-T38 HydrophobicContact CB-CG2 4.33Å; N36-T38 PolarHBondContact O-N 3.06Å; N36-T38 VanDerWaalsContact O-N 3.14Å; N36-T38 PolarHBondContact OD1-N 3.18Å; N36-T38 VanDerWaalsContact OD1-N 3.08Å; N36-T38 PolarHBondContact OD1-OG1 3Å
39N94.4Very high95.1Very high99 Ų9938.1 Ų38.153%0.52922%0.218SC..THydrogen-bonded Turntrans-134-3-172.667.4-0.6000113.8N36 E41N36-N39 WeakPolarHBondContact CB-OD1 3.34Å; N36-N39 PolarHBondContact ND2-ND2 2.75Å; N36-N39 PolarHBondContact ND2-OD1 3.11Å; N36-N39 VanDerWaalsContact ND2-OD1 3.1Å; N36-N39 PolarHBondContact O-N 3.29Å; N39-E41 VanDerWaalsContact C-N 3.27Å; N39-E41 PolarHBondContact ND2-OE2 3.13Å; N39-E41 PolarHBondContact O-N 3.14Å; N39-E41 WeakPolarHBondContact OD1-CB 3.5Å; N39-E41 PolarHBondContact OD1-N 3.18Å
40G93.7Very high95.5Very high51 Ų5140.8 Ų40.853%0.52623%0.226SC..  trans76.26.9-178.400000115N36 E42N36-G40 WeakPolarHBondContact O-CA 3.34Å; N36-G40 PolarHBondContact O-N 2.67Å; G40-E42 PolarHBondContact O-N 3.18Å
41E94.1Very high95.6Very high64 Ų6446.6 Ų46.630%0.29925%0.248SC..  trans-66.5129.6-179-177.1-175.8-166.700111.4I35 N36 N39 V43 R77I35-E41 CarbonylContact C-O 3.55Å; I35-E41 WeakPolarHBondContact CA-O 3.49Å; N36-E41 HydrophobicContact CB-CB 4.13Å; N36-E41 PolarHBondContact N-O 2.76Å; N39-E41 VanDerWaalsContact C-N 3.27Å; N39-E41 PolarHBondContact ND2-OE2 3.13Å; N39-E41 PolarHBondContact O-N 3.14Å; N39-E41 WeakPolarHBondContact OD1-CB 3.5Å; N39-E41 PolarHBondContact OD1-N 3.18Å; E41-V43 HydrophobicContact CG-CG1 4.2Å; E41-R77 IonicContact OE1-CZ 3.89Å; E41-R77 IonicContact OE1-NE 2.95Å; E41-R77 IonicContact OE1-NH2 3.48Å
42E95.8Very high95.4Very high69 Ų6946.6 Ų46.632%0.32225%0.254SS..EExtended strand (participates in β ladder)trans-83.2131.8173.6-68.8-178.217200111.1L33 A34 I35 G40 L92 N151L33-E42 HydrophobicContact CD1-CB 4.01Å; L33-E42 HydrophobicContact CD1-CG 4.28Å; A34-E42 WeakPolarHBondContact O-CA 3.27Å; I35-E42 HydrophobicContact CG1-CG 4.29Å; G40-E42 PolarHBondContact O-N 3.18Å; E42-L92 HydrophobicContact CB-CD2 3.91Å; E42-N151 PolarHBondContact OE1-ND2 3.38Å; E42-N151 VanDerWaalsContact OE1-ND2 3.13Å; E42-N151 PolarHBondContact OE2-ND2 3.19Å
43V96.8Very high95Very high0 Ų054.5 Ų54.50%028%0.283CS..EExtended strand (participates in β ladder)trans-134.9159-177.6-60.30000111.2Y17 A34 E41 V45 V89Y17-V43 HydrophobicContact CD1-CG2 3.67Å; Y17-V43 HydrophobicContact CE1-CG1 4.28Å; Y17-V43 HydrophobicContact CE1-CG2 4.18Å; Y17-V43 HydrophobicContact CG-CG2 4.45Å; A34-V43 HydrophobicContact CB-CG2 3.9Å; A34-V43 PolarHBondContact N-O 3.24Å; A34-V43 PolarHBondContact O-N 3.27Å; E41-V43 HydrophobicContact CG-CG1 4.2Å; V43-V45 HydrophobicContact CG2-CG2 4.23Å; V43-V89 HydrophobicContact CB-CG1 4.01Å; V43-V89 HydrophobicContact CG1-CG1 4.47Å; V43-V89 HydrophobicContact CG2-CG1 3.68Å
44A97.1Very high94.6Very high9 Ų959.7 Ų59.77%0.07431%0.307CS..EExtended strand (participates in β ladder)trans-93.3136.9168.500000110.4I31 Y32 V89 M90 L92I31-A44 HydrophobicContact CG2-CB 4.4Å; Y32-A44 CarbonylContact O-C 3.57Å; Y32-A44 WeakPolarHBondContact O-CA 3.15Å; A44-V89 WeakPolarHBondContact O-CA 3.5Å; A44-M90 HydrophobicContact CB-CG 3.97Å; A44-M90 PolarHBondContact N-O 3.35Å; A44-M90 PolarHBondContact O-N 3.04Å; A44-L92 HydrophobicContact CB-CD1 4.03Å
45V97.1Very high94.2Very high0 Ų063.6 Ų63.60%033%0.332CS..EExtended strand (participates in β ladder)trans-123.3116.2177.5-176.60000109.4V13 L19 I31 Y32 A34 V43 L47 V87 L88 V89V13-V45 HydrophobicContact CG2-CG1 4.13Å; V13-V45 HydrophobicContact CG2-CG2 4.44Å; L19-V45 HydrophobicContact CD1-CB 4.47Å; L19-V45 HydrophobicContact CD1-CG1 4.27Å; L19-V45 HydrophobicContact CD1-CG2 4.38Å; I31-V45 CarbonylContact C-O 3.53Å; I31-V45 WeakPolarHBondContact CA-O 3.3Å; Y32-V45 PolarHBondContact N-O 3.31Å; Y32-V45 PolarHBondContact O-N 2.88Å; A34-V45 HydrophobicContact CB-CB 4.5Å; A34-V45 HydrophobicContact CB-CG2 3.41Å; A34-V45 VanDerWaalsContact CB-CG2 3.41Å; V43-V45 HydrophobicContact CG2-CG2 4.23Å; V45-L47 HydrophobicContact CG1-CD2 4.07Å; V45-L47 HydrophobicContact CG1-CG 4.36Å; V45-V87 HydrophobicContact CG1-CG1 3.53Å; V45-L88 WeakPolarHBondContact CA-O 3.43Å; V45-V89 HydrophobicContact CG1-CG2 4.44Å; V45-V89 HydrophobicContact CG2-CG1 4.32Å; V45-V89 HydrophobicContact CG2-CG2 4.12Å
46K96.1Very high94Very high9 Ų962.4 Ų62.44%0.03933%0.325CS..EExtended strand (participates in β ladder)trans-92.4124.2172.3-173.9164.6-171.2-175.50109D30 I31 L57 E60 V87 L88 M90 D185D30-K46 WeakPolarHBondContact O-CA 3.32Å; I31-K46 HydrophobicContact CD1-CB 3.54Å; I31-K46 HydrophobicContact CD1-CD 3.65Å; I31-K46 HydrophobicContact CD1-CG 3.4Å; I31-K46 VanDerWaalsContact CD1-CG 3.4Å; K46-L57 HydrophobicContact CB-CD1 4.17Å; K46-L57 HydrophobicContact CD-CD1 3.59Å; K46-L57 HydrophobicContact CG-CD1 3.67Å; K46-E60 VanDerWaalsContact NZ-CD 3.29Å; K46-E60 IonicContact NZ-OE1 3.81Å; K46-E60 PolarHBondContact NZ-OE1 3.39Å; K46-E60 VanDerWaalsContact NZ-OE1 3.09Å; K46-E60 IonicContact NZ-OE2 2.79Å; K46-E60 PolarHBondContact NZ-OE2 2.93Å; K46-V87 WeakPolarHBondContact O-CA 3.28Å; K46-L88 HydrophobicContact CB-CB 4.36Å; K46-L88 PolarHBondContact N-O 2.84Å; K46-L88 PolarHBondContact O-N 3.1Å; K46-M90 HydrophobicContact CB-CE 4.3Å; K46-D185 IonicContact NZ-OD1 3.79Å; K46-D185 PolarHBondContact NZ-OD1 2.87Å
47L95.5Very high93.8Very high13 Ų1362.2 Ų62.27%0.06832%0.324CS..EExtended strand (participates in β ladder)trans-110.8124.8176.9-66.6-176.5000110.1F11 L19 G29 D30 Y32 V45 Y85 V87F11-L47 HydrophobicContact CE1-CD1 4.38Å; L19-L47 HydrophobicContact CD2-CD1 3.74Å; G29-L47 CarbonylContact C-O 3.54Å; G29-L47 WeakPolarHBondContact CA-O 3.33Å; D30-L47 PolarHBondContact N-O 3.23Å; D30-L47 PolarHBondContact O-N 2.69Å; Y32-L47 HydrophobicContact CD2-CD1 4Å; Y32-L47 HydrophobicContact CD2-CG 4.33Å; Y32-L47 HydrophobicContact CE2-CD1 3.9Å; V45-L47 HydrophobicContact CG1-CD2 4.07Å; V45-L47 HydrophobicContact CG1-CG 4.36Å; L47-Y85 HydrophobicContact CB-CD1 4.08Å; L47-V87 HydrophobicContact CD2-CB 4.08Å; L47-V87 HydrophobicContact CD2-CG1 3.83Å; L47-V87 HydrophobicContact CD2-CG2 3.5Å; L47-V87 VanDerWaalsContact CD2-CG2 3.5Å
48E95.6Very high93.8Very high3 Ų361.8 Ų61.81%0.01432%0.322CS..EExtended strand (participates in β ladder)trans-118.3131.4172.4174.2-175.2-10200108.6Q50 A52 P55 Q56 L57 Y85 N86E48-Q50 PolarHBondContact O-N 3.47Å; E48-A52 HydrophobicContact CG-CB 4.25Å; E48-P55 WeakPolarHBondContact OE1-CA 3.34Å; E48-Q56 PolarHBondContact OE1-N 3.37Å; E48-Q56 PolarHBondContact OE2-N 2.99Å; E48-L57 HydrophobicContact CB-CB 3.98Å; E48-L57 HydrophobicContact CB-CD2 3.85Å; E48-L57 HydrophobicContact CB-CG 4.49Å; E48-L57 HydrophobicContact CG-CB 4.47Å; E48-L57 PolarHBondContact OE1-N 3.15Å; E48-L57 WeakPolarHBondContact OE2-CB 3.33Å; E48-L57 PolarHBondContact OE2-N 3.2Å; E48-Y85 CarbonylContact O-C 3.53Å; E48-Y85 VanDerWaalsContact O-CA 3.28Å; E48-Y85 WeakPolarHBondContact O-CA 3.32Å; E48-N86 HydrophobicContact CB-CB 4.39Å; E48-N86 PolarHBondContact N-O 3.37Å; E48-N86 PolarHBondContact O-N 3.33Å; E48-N86 PolarHBondContact OE2-ND2 2.75Å
49S94.3Very high93.8Very high45 Ų4561.1 Ų61.132%0.31531%0.309SS..EExtended strand (participates in β ladder)trans-64.5134.2174.8179.80000110.2K51 A52S49-K51 PolarHBondContact O-N 3.43Å; S49-K51 VanDerWaalsContact O-N 3.14Å; S49-K51 PolarHBondContact OG-N 2.8Å; S49-A52 WeakPolarHBondContact O-CB 3.47Å; S49-A52 PolarHBondContact O-N 3.17Å
50Q93.3Very high93.8Very high75 Ų7556.5 Ų56.535%0.3528%0.284SS..THydrogen-bonded Turntrans-62.6-20.1174-68.2175.91700112.8E48 A52 K83 D84 Y85E48-Q50 PolarHBondContact O-N 3.47Å; Q50-A52 VanDerWaalsContact C-N 3.3Å; Q50-K83 PolarHBondContact NE2-O 3.32Å; Q50-D84 WeakPolarHBondContact CB-O 3.49Å; Q50-D84 WeakPolarHBondContact CG-O 3.23Å; Q50-D84 PolarHBondContact N-O 2.83Å; Q50-Y85 PolarHBondContact NE2-O 3.27Å
51K93.5Very high94Very high173 Ų17354.2 Ų54.275%0.75226%0.26SS*.THydrogen-bonded Turntrans-88.56.3176.2-58.8177.9-175.2172.60112.8S49 R53S49-K51 PolarHBondContact O-N 3.43Å; S49-K51 VanDerWaalsContact O-N 3.14Å; S49-K51 PolarHBondContact OG-N 2.8Å; K51-R53 PolarHBondContact O-N 3.1Å
52A91.1Very high94.1Very high36 Ų3657 Ų5730%0.29827%0.271SS..  trans-59.3137.3178.100000110.7E48 S49 Q50 H54E48-A52 HydrophobicContact CG-CB 4.25Å; S49-A52 WeakPolarHBondContact O-CB 3.47Å; S49-A52 PolarHBondContact O-N 3.17Å; Q50-A52 VanDerWaalsContact C-N 3.3Å; A52-H54 PolarHBondContact O-N 3.28Å
53R87.9Confident94.2Very high224 Ų22453.9 Ų53.985%0.84526%0.257SS*.SBendtrans-59.7-31.6-178.8-169.9179.7-179.5175.20.3113K51K51-R53 PolarHBondContact O-N 3.1Å
54H86.8Confident94.2Very high124 Ų12453.9 Ų53.957%0.57426%0.257SS*.SBendtrans-137.482.5-179.3-59.1-59.8000109A52A52-H54 PolarHBondContact O-N 3.28Å
55P90.2Very high94.2Very high82 Ų8260.3 Ų60.353%0.53228%0.283SS..  trans-71.6132.2-179.229.4-33.1000110.6E48E48-P55 WeakPolarHBondContact OE1-CA 3.34Å
56Q91.3Very high94.2Very high36 Ų3664.3 Ų64.317%0.16830%0.303CS..  trans-130-13.7-174.2-60.7-17724.700112.8F28 E48 L58 Y59 E60 G187F28-Q56 HydrophobicContact CD1-CG 4.3Å; F28-Q56 HydrophobicContact CD2-CB 4.31Å; F28-Q56 VanDerWaalsContact CE1-OE1 3.24Å; F28-Q56 HydrophobicContact CG-CB 4.26Å; F28-Q56 HydrophobicContact CG-CG 4.43Å; E48-Q56 PolarHBondContact OE1-N 3.37Å; E48-Q56 PolarHBondContact OE2-N 2.99Å; Q56-L58 VanDerWaalsContact C-N 3.31Å; Q56-L58 PolarHBondContact O-N 2.9Å; Q56-Y59 WeakPolarHBondContact O-CB 3.42Å; Q56-Y59 PolarHBondContact O-N 2.95Å; Q56-E60 PolarHBondContact O-N 3.43Å; Q56-G187 PolarHBondContact OE1-O 3.42Å
57L93.7Very high94.3Very high1 Ų163.9 Ų63.91%0.00530%0.302CS..Hα-helixtrans-65.6-32.1-171.5-162.563.1000113.5K46 E48 S61 Y79 N86 L88K46-L57 HydrophobicContact CB-CD1 4.17Å; K46-L57 HydrophobicContact CD-CD1 3.59Å; K46-L57 HydrophobicContact CG-CD1 3.67Å; E48-L57 HydrophobicContact CB-CB 3.98Å; E48-L57 HydrophobicContact CB-CD2 3.85Å; E48-L57 HydrophobicContact CB-CG 4.49Å; E48-L57 HydrophobicContact CG-CB 4.47Å; E48-L57 PolarHBondContact OE1-N 3.15Å; E48-L57 WeakPolarHBondContact OE2-CB 3.33Å; E48-L57 PolarHBondContact OE2-N 3.2Å; L57-S61 WeakPolarHBondContact O-CB 3.37Å; L57-S61 PolarHBondContact O-N 2.8Å; L57-Y79 HydrophobicContact CG-CE2 4.22Å; L57-N86 HydrophobicContact CB-CB 4.35Å; L57-N86 HydrophobicContact CD2-CB 3.99Å; L57-N86 VanDerWaalsContact CD2-O 3.29Å; L57-N86 WeakPolarHBondContact CD2-O 3.26Å; L57-L88 HydrophobicContact CD1-CB 3.75Å; L57-L88 HydrophobicContact CD1-CD2 3.81Å; L57-L88 HydrophobicContact CD1-CG 4.45Å; L57-L88 HydrophobicContact CD2-CB 3.97Å; L57-L88 HydrophobicContact CG-CB 3.89Å; L57-L88 HydrophobicContact CG-CD2 4.5Å
58L95.4Very high94.3Very high81 Ų8166 Ų6642%0.42431%0.311SS..Hα-helixtrans-65.2-40.9171.8179.858.8000112.3Q56 S61 K62 Y79Q56-L58 VanDerWaalsContact C-N 3.31Å; Q56-L58 PolarHBondContact O-N 2.9Å; L58-S61 PolarHBondContact O-OG 2.89Å; L58-K62 WeakPolarHBondContact O-CG 3.39Å; L58-K62 PolarHBondContact O-N 2.9Å; L58-Y79 HydrophobicContact CB-CE2 4.5Å; L58-Y79 WeakPolarHBondContact CB-OH 3.45Å; L58-Y79 HydrophobicContact CD1-CD1 4.3Å; L58-Y79 HydrophobicContact CD1-CE1 3.49Å; L58-Y79 VanDerWaalsContact CD1-CE1 3.49Å
59Y95.8Very high94.1Very high89 Ų8969.3 Ų69.335%0.34935%0.347SS..Hα-helixtrans-65.4-47.5177.7171.4-100.3000110Q56 S61 K62 L63 A189Q56-Y59 WeakPolarHBondContact O-CB 3.42Å; Q56-Y59 PolarHBondContact O-N 2.95Å; Y59-S61 VanDerWaalsContact C-N 3.35Å; Y59-S61 PolarHBondContact O-N 3.34Å; Y59-K62 PolarHBondContact O-N 2.89Å; Y59-L63 HydrophobicContact CE1-CD2 4.08Å; Y59-L63 PolarHBondContact O-N 3.16Å; Y59-A189 HydrophobicContact CE1-CB 4.47Å; Y59-A189 WeakPolarHBondContact CE1-O 3.42Å; Y59-A189 PolarHBondContact OH-O 3.25Å
60E95.6Very high94.1Very high2 Ų267.7 Ų67.71%0.00934%0.337CS..Hα-helixtrans-58.7-44.1177.6-171.8178.6-175.700111.6K46 Q56 K62 L63 Y64 L88 F186K46-E60 VanDerWaalsContact NZ-CD 3.29Å; K46-E60 IonicContact NZ-OE1 3.81Å; K46-E60 PolarHBondContact NZ-OE1 3.39Å; K46-E60 VanDerWaalsContact NZ-OE1 3.09Å; K46-E60 IonicContact NZ-OE2 2.79Å; K46-E60 PolarHBondContact NZ-OE2 2.93Å; Q56-E60 PolarHBondContact O-N 3.43Å; E60-K62 PolarHBondContact O-N 3Å; E60-L63 PolarHBondContact O-N 2.97Å; E60-L63 VanDerWaalsContact O-N 3.16Å; E60-Y64 HydrophobicContact CG-CD2 3.82Å; E60-Y64 HydrophobicContact CG-CE2 3.51Å; E60-Y64 VanDerWaalsContact O-CD2 3.25Å; E60-Y64 WeakPolarHBondContact O-CD2 3.17Å; E60-Y64 PolarHBondContact O-N 3.45Å; E60-Y64 WeakPolarHBondContact OE1-CE2 3.12Å; E60-L88 HydrophobicContact CG-CD2 4.48Å; E60-F186 HydrophobicContact CG-CB 4.25Å; E60-F186 PolarHBondContact OE1-N 3.35Å
61S96.2Very high94.1Very high3 Ų367.8 Ų67.82%0.02134%0.343CS..Hα-helixtrans-64.2-39.5179770000113.1L57 L58 Y59 L63 K65 Y79L57-S61 WeakPolarHBondContact O-CB 3.37Å; L57-S61 PolarHBondContact O-N 2.8Å; L58-S61 PolarHBondContact O-OG 2.89Å; Y59-S61 VanDerWaalsContact C-N 3.35Å; Y59-S61 PolarHBondContact O-N 3.34Å; S61-L63 VanDerWaalsContact C-N 3.34Å; S61-K65 WeakPolarHBondContact O-CG 3.28Å; S61-K65 PolarHBondContact O-N 2.88Å; S61-Y79 VanDerWaalsContact CB-CD2 3.49Å; S61-Y79 WeakPolarHBondContact OG-CD2 3.14Å
62K97.1Very high94.2Very high123 Ų12359.6 Ų59.654%0.53531%0.307SS..Hα-helixtrans-64.9-39.5173.1-72.5177.3-179.6179.80111.4L58 Y59 E60 K65 I66L58-K62 WeakPolarHBondContact O-CG 3.39Å; L58-K62 PolarHBondContact O-N 2.9Å; Y59-K62 PolarHBondContact O-N 2.89Å; E60-K62 PolarHBondContact O-N 3Å; K62-K65 WeakPolarHBondContact O-CB 3.41Å; K62-K65 PolarHBondContact O-N 2.9Å; K62-I66 PolarHBondContact O-N 2.88Å
63L97.4Very high94.5Very high3 Ų358.1 Ų58.12%0.01629%0.294CS..Hα-helixtrans-69-43-179.9-174.450.7000111.7Y59 E60 S61 K65 I66 L67 F132 F186 A189Y59-L63 HydrophobicContact CE1-CD2 4.08Å; Y59-L63 PolarHBondContact O-N 3.16Å; E60-L63 PolarHBondContact O-N 2.97Å; E60-L63 VanDerWaalsContact O-N 3.16Å; S61-L63 VanDerWaalsContact C-N 3.34Å; L63-K65 PolarHBondContact O-N 2.96Å; L63-I66 HydrophobicContact CD1-CB 4.47Å; L63-I66 HydrophobicContact CD1-CD1 4.39Å; L63-I66 WeakPolarHBondContact O-CB 3.2Å; L63-I66 PolarHBondContact O-N 2.8Å; L63-L67 HydrophobicContact CD1-CD1 4.35Å; L63-L67 HydrophobicContact CD1-CG 4.23Å; L63-L67 HydrophobicContact CG-CD1 4.09Å; L63-L67 HydrophobicContact CG-CG 4.43Å; L63-L67 WeakPolarHBondContact O-CG 3.25Å; L63-L67 PolarHBondContact O-N 2.61Å; L63-F132 HydrophobicContact CD1-CD1 3.66Å; L63-F132 HydrophobicContact CD1-CD2 3.54Å; L63-F132 HydrophobicContact CD1-CE1 3.61Å; L63-F132 HydrophobicContact CD1-CE2 3.51Å; L63-F132 HydrophobicContact CD1-CG 3.65Å; L63-F132 HydrophobicContact CD1-CZ 3.55Å; L63-F132 HydrophobicContact CD2-CD1 3.96Å; L63-F132 HydrophobicContact CD2-CE1 4.28Å; L63-F132 HydrophobicContact CD2-CG 4.38Å; L63-F186 HydrophobicContact CD2-CB 3.71Å; L63-F186 HydrophobicContact CD2-CD1 4.37Å; L63-F186 HydrophobicContact CD2-CG 4.3Å; L63-F186 HydrophobicContact CG-CB 4.24Å; L63-A189 HydrophobicContact CD2-CB 3.34Å
64Y97.6Very high94.8Very high1 Ų147.5 Ų47.50%0.00425%0.254CS..Hα-helixtrans-56-39.1172-83.8-68.4000112.5E60 I66 L67 Q68 I73 P74 I76 L88 M90 D185 F186E60-Y64 HydrophobicContact CG-CD2 3.82Å; E60-Y64 HydrophobicContact CG-CE2 3.51Å; E60-Y64 VanDerWaalsContact O-CD2 3.25Å; E60-Y64 WeakPolarHBondContact O-CD2 3.17Å; E60-Y64 PolarHBondContact O-N 3.45Å; E60-Y64 WeakPolarHBondContact OE1-CE2 3.12Å; Y64-I66 VanDerWaalsContact C-N 3.31Å; Y64-I66 PolarHBondContact O-N 2.89Å; Y64-L67 CarbonylContact O-C 3.58Å; Y64-L67 PolarHBondContact O-N 3.29Å; Y64-L67 VanDerWaalsContact O-N 3.15Å; Y64-Q68 VanDerWaalsContact O-CG 3.3Å; Y64-Q68 WeakPolarHBondContact O-CG 3.46Å; Y64-Q68 PolarHBondContact O-N 3.21Å; Y64-Q68 PolarHBondContact O-NE2 2.93Å; Y64-I73 HydrophobicContact CD1-CG2 4.13Å; Y64-P74 HydrophobicContact CE1-CG 4.14Å; Y64-I76 HydrophobicContact CD1-CD1 4.16Å; Y64-I76 HydrophobicContact CD1-CG1 4.42Å; Y64-I76 HydrophobicContact CD2-CD1 3.73Å; Y64-I76 HydrophobicContact CD2-CG1 4.2Å; Y64-I76 HydrophobicContact CE2-CD1 4.26Å; Y64-I76 HydrophobicContact CG-CD1 3.68Å; Y64-I76 HydrophobicContact CG-CG1 3.8Å; Y64-L88 HydrophobicContact CD2-CD2 4.14Å; Y64-L88 HydrophobicContact CE2-CD2 4.15Å; Y64-M90 HydrophobicContact CE2-CE 4.35Å; Y64-D185 PolarHBondContact OH-N 2.85Å; Y64-F186 AromaticContact CD1-CD2 3.98Å; Y64-F186 HydrophobicContact CD1-CD2 3.98Å; Y64-F186 HydrophobicContact CD1-CE2 4Å; Y64-F186 HydrophobicContact CD2-CD2 4.5Å; Y64-F186 AromaticContact CE1-CD2 3.47Å; Y64-F186 HydrophobicContact CE1-CD2 3.47Å; Y64-F186 VanDerWaalsContact CE1-CD2 3.47Å; Y64-F186 AromaticContact CE1-CE2 3.42Å; Y64-F186 HydrophobicContact CE1-CE2 3.42Å; Y64-F186 VanDerWaalsContact CE1-CE2 3.42Å; Y64-F186 HydrophobicContact CE2-CD2 4.08Å; Y64-F186 HydrophobicContact CG-CD2 4.45Å; Y64-F186 AromaticContact CZ-CD2 3.52Å; Y64-F186 AromaticContact CZ-CE2 3.89Å
65K96.8Very high95.2Very high143 Ų14345.8 Ų45.862%0.62225%0.246SC*.Hα-helixtrans-59.4-39.4174.5-73-179.7179.8-175.30112.6S61 K62 L63 L67S61-K65 WeakPolarHBondContact O-CG 3.28Å; S61-K65 PolarHBondContact O-N 2.88Å; K62-K65 WeakPolarHBondContact O-CB 3.41Å; K62-K65 PolarHBondContact O-N 2.9Å; L63-K65 PolarHBondContact O-N 2.96Å; K65-L67 VanDerWaalsContact C-N 3.33Å
66I97.6Very high95.5Very high84 Ų8443.3 Ų43.343%0.43123%0.228SC..Hα-helixtrans-68.3-35.1176-64.2165.2000111.3K62 L63 Y64 F132K62-I66 PolarHBondContact O-N 2.88Å; L63-I66 HydrophobicContact CD1-CB 4.47Å; L63-I66 HydrophobicContact CD1-CD1 4.39Å; L63-I66 WeakPolarHBondContact O-CB 3.2Å; L63-I66 PolarHBondContact O-N 2.8Å; Y64-I66 VanDerWaalsContact C-N 3.31Å; Y64-I66 PolarHBondContact O-N 2.89Å; I66-F132 HydrophobicContact CD1-CE2 4.22Å; I66-F132 HydrophobicContact CD1-CZ 4.15Å; I66-F132 HydrophobicContact CG2-CE2 4.24Å
67L97.7Very high95.7Very high0 Ų046.7 Ų46.70%024%0.239CC..Hα-helixtrans-83.7-12.6-177.6-62.7177.8000113.7L63 Y64 K65 G70 I73 Y126 K130 F186L63-L67 HydrophobicContact CD1-CD1 4.35Å; L63-L67 HydrophobicContact CD1-CG 4.23Å; L63-L67 HydrophobicContact CG-CD1 4.09Å; L63-L67 HydrophobicContact CG-CG 4.43Å; L63-L67 WeakPolarHBondContact O-CG 3.25Å; L63-L67 PolarHBondContact O-N 2.61Å; Y64-L67 CarbonylContact O-C 3.58Å; Y64-L67 PolarHBondContact O-N 3.29Å; Y64-L67 VanDerWaalsContact O-N 3.15Å; K65-L67 VanDerWaalsContact C-N 3.33Å; L67-G70 PolarHBondContact O-N 2.95Å; L67-I73 HydrophobicContact CB-CD1 4.44Å; L67-I73 HydrophobicContact CB-CG1 4.33Å; L67-I73 HydrophobicContact CB-CG2 3.92Å; L67-I73 HydrophobicContact CD1-CD1 4.44Å; L67-Y126 HydrophobicContact CB-CE1 4.32Å; L67-Y126 HydrophobicContact CD2-CE1 4.22Å; L67-Y126 VanDerWaalsContact O-CE1 3.3Å; L67-Y126 WeakPolarHBondContact O-CE1 3.49Å; L67-Y126 PolarHBondContact O-OH 3.3Å; L67-K130 HydrophobicContact CD2-CB 3.71Å; L67-K130 HydrophobicContact CD2-CG 3.78Å; L67-F186 HydrophobicContact CD1-CD1 3.8Å; L67-F186 HydrophobicContact CD1-CD2 4.04Å; L67-F186 HydrophobicContact CD1-CE1 3.5Å; L67-F186 HydrophobicContact CD1-CE2 3.77Å; L67-F186 HydrophobicContact CD1-CG 4.07Å; L67-F186 HydrophobicContact CD1-CZ 3.5Å; L67-F186 VanDerWaalsContact CD1-CZ 3.5Å
68Q95.4Very high95.8Very high57 Ų5750.1 Ų50.127%0.26625%0.252SS..THydrogen-bonded Turntrans-52.8147179.5-72.6-54.1-72.800112.3Y64 G70 P74 H75 Y126Y64-Q68 VanDerWaalsContact O-CG 3.3Å; Y64-Q68 WeakPolarHBondContact O-CG 3.46Å; Y64-Q68 PolarHBondContact O-N 3.21Å; Y64-Q68 PolarHBondContact O-NE2 2.93Å; Q68-G70 VanDerWaalsContact C-N 3.28Å; Q68-P74 PolarHBondContact NE2-O 2.91Å; Q68-H75 PolarHBondContact OE1-CD2 2.81Å; Q68-Y126 PolarHBondContact O-OH 3.42Å
69G90.9Very high95.9Very high74 Ų7448.8 Ų48.876%0.76324%0.242SC*.THydrogen-bonded Turntrans85-6.3-172.800000114.3
70G94.6Very high96Very high11 Ų1145.1 Ų45.111%0.11323%0.232CC..  trans-79.3137.3175.300000113.3L67 Q68 G72 I73 Y126L67-G70 PolarHBondContact O-N 2.95Å; Q68-G70 VanDerWaalsContact C-N 3.28Å; G70-G72 PolarHBondContact O-N 3.34Å; G70-I73 PolarHBondContact O-N 3.23Å; G70-Y126 VanDerWaalsContact CA-CE1 3.49Å; G70-Y126 VanDerWaalsContact CA-OH 3.27Å; G70-Y126 WeakPolarHBondContact CA-OH 3.41Å; G70-Y126 PolarHBondContact N-OH 3.41Å; G70-Y126 VanDerWaalsContact N-OH 3.13Å
71V94.1Very high96Very high77 Ų7751.2 Ų51.247%0.46726%0.26SS..THydrogen-bonded Turntrans-63.5124.5172.1-177.30000109.6R123 Q180V71-R123 VanDerWaalsContact O-CD 3.27Å; V71-R123 WeakPolarHBondContact O-CD 3.44Å; V71-R123 PolarHBondContact O-NE 3.01Å; V71-R123 PolarHBondContact O-NH1 3.08Å; V71-Q180 HydrophobicContact CG1-CG 4.38Å
72G94.8Very high95.9Very high0 Ų053.7 Ų53.70%027%0.271CS..THydrogen-bonded Turntrans8023.4-17900000113.9G70 L181 F182 L183G70-G72 PolarHBondContact O-N 3.34Å; G72-L181 WeakPolarHBondContact CA-O 3.28Å; G72-F182 CarbonylContact O-C 3.51Å; G72-F182 WeakPolarHBondContact O-CA 3.14Å; G72-F182 WeakPolarHBondContact O-CD1 3.38Å; G72-L183 PolarHBondContact O-N 3.27Å
73I97.3Very high95.7Very high5 Ų553.9 Ų53.93%0.02627%0.272CS..  trans-108.6124.2168-58.5-60.4000108.7Y64 L67 G70 Y126 F186Y64-I73 HydrophobicContact CD1-CG2 4.13Å; L67-I73 HydrophobicContact CB-CD1 4.44Å; L67-I73 HydrophobicContact CB-CG1 4.33Å; L67-I73 HydrophobicContact CB-CG2 3.92Å; L67-I73 HydrophobicContact CD1-CD1 4.44Å; G70-I73 PolarHBondContact O-N 3.23Å; I73-Y126 HydrophobicContact CD1-CD1 4.25Å; I73-Y126 HydrophobicContact CD1-CE1 4.38Å; I73-Y126 HydrophobicContact CG1-CD1 3.97Å; I73-Y126 HydrophobicContact CG1-CE1 3.76Å; I73-F186 HydrophobicContact CD1-CE2 4.35Å; I73-F186 HydrophobicContact CD1-CZ 3.87Å
74P95.4Very high95.5Very high1 Ų158.2 Ų58.21%0.00630%0.295CS..PPolyproline II helixtrans-60145174.9-17.426.1000112.4Y64 Q68 D91 L93 F182 I184Y64-P74 HydrophobicContact CE1-CG 4.14Å; Q68-P74 PolarHBondContact NE2-O 2.91Å; P74-D91 HydrophobicContact CB-CB 4.29Å; P74-L93 HydrophobicContact CG-CD1 3.94Å; P74-F182 HydrophobicContact CG-CD1 4.3Å; P74-I184 HydrophobicContact CG-CG2 3.64Å
75H94.6Very high95.4Very high88 Ų8862.4 Ų62.441%0.40731%0.312SS..PPolyproline II helixtrans-77.3138.6170-59.686.3000110.9Q68 M90 D91Q68-H75 PolarHBondContact OE1-CD2 2.81Å; H75-M90 CarbonylContact O-C 3.57Å; H75-M90 VanDerWaalsContact O-CA 3.23Å; H75-M90 WeakPolarHBondContact O-CA 3.25Å; H75-M90 WeakPolarHBondContact O-CB 3.47Å; H75-D91 WeakPolarHBondContact CB-OD2 3.33Å; H75-D91 IonicContact CG-OD2 2.88Å; H75-D91 PolarHBondContact N-OD2 2.73Å; H75-D91 IonicContact ND1-OD2 3.83Å; H75-D91 PolarHBondContact ND1-OD2 3.23Å; H75-D91 PolarHBondContact O-N 2.95Å
76I95.6Very high95.4Very high30 Ų3056.3 Ų56.315%0.15429%0.286CS..EExtended strand (participates in β ladder)trans-92.6124.2171.1-58.2-52.1000108.7Y64 L88 M90Y64-I76 HydrophobicContact CD1-CD1 4.16Å; Y64-I76 HydrophobicContact CD1-CG1 4.42Å; Y64-I76 HydrophobicContact CD2-CD1 3.73Å; Y64-I76 HydrophobicContact CD2-CG1 4.2Å; Y64-I76 HydrophobicContact CE2-CD1 4.26Å; Y64-I76 HydrophobicContact CG-CD1 3.68Å; Y64-I76 HydrophobicContact CG-CG1 3.8Å; I76-L88 HydrophobicContact CD1-CD1 3.98Å; I76-L88 HydrophobicContact CD1-CD2 4.35Å; I76-L88 HydrophobicContact CD1-CG 4.27Å; I76-L88 HydrophobicContact CG1-CD1 4.38Å; I76-L88 HydrophobicContact CG2-CD1 3.55Å; I76-M90 HydrophobicContact CD1-CB 3.59Å; I76-M90 HydrophobicContact CD1-CE 4.38Å
77R95.6Very high95.4Very high108 Ų10852.3 Ų52.341%0.40827%0.265SS..EExtended strand (participates in β ladder)trans-89.8-40.5179.1-55.5-64.8175.7-169.9-1.9111.4E41 V89 D91E41-R77 IonicContact OE1-CZ 3.89Å; E41-R77 IonicContact OE1-NE 2.95Å; E41-R77 IonicContact OE1-NH2 3.48Å; R77-V89 HydrophobicContact CB-CB 4.28Å; R77-V89 HydrophobicContact CB-CG1 3.95Å; R77-V89 HydrophobicContact CG-CG1 4.38Å; R77-V89 PolarHBondContact N-O 3.1Å; R77-D91 IonicContact CZ-OD1 3.31Å; R77-D91 VanDerWaalsContact CZ-OD1 3.31Å; R77-D91 IonicContact NE-OD1 3.29Å; R77-D91 PolarHBondContact NE-OD1 3.04Å; R77-D91 IonicContact NH2-OD1 3.18Å; R77-D91 PolarHBondContact NH2-OD1 3.4Å
78W97.3Very high95.4Very high72 Ų7252.3 Ų52.327%0.27327%0.265SS..EExtended strand (participates in β ladder)trans-159.8148.8-176.8-174.779.9000111.6V13 Y17 G80 V87 V89V13-W78 HydrophobicContact CB-CZ3 4.39Å; Y17-W78 HydrophobicContact CE2-CB 4.12Å; W78-G80 VanDerWaalsContact CH2-CA 3.46Å; W78-V87 HydrophobicContact CE3-CB 4.44Å; W78-V87 HydrophobicContact CE3-CG1 4.27Å; W78-V87 HydrophobicContact CZ3-CB 3.68Å; W78-V87 HydrophobicContact CZ3-CG1 3.8Å; W78-V87 HydrophobicContact CZ3-CG2 4.44Å; W78-V89 HydrophobicContact CB-CB 4.12Å; W78-V89 HydrophobicContact CB-CG2 4.18Å; W78-V89 HydrophobicContact CE3-CG2 3.9Å; W78-V89 PolarHBondContact N-O 3.36Å; W78-V89 PolarHBondContact O-N 3.19Å
79Y97.6Very high95.5Very high53 Ų5349.6 Ų49.621%0.20825%0.252CS..EExtended strand (participates in β ladder)trans-136.3137.8166.4170.7-88.9000108.2L57 L58 S61 V87 L88L57-Y79 HydrophobicContact CG-CE2 4.22Å; L58-Y79 HydrophobicContact CB-CE2 4.5Å; L58-Y79 WeakPolarHBondContact CB-OH 3.45Å; L58-Y79 HydrophobicContact CD1-CD1 4.3Å; L58-Y79 HydrophobicContact CD1-CE1 3.49Å; L58-Y79 VanDerWaalsContact CD1-CE1 3.49Å; S61-Y79 VanDerWaalsContact CB-CD2 3.49Å; S61-Y79 WeakPolarHBondContact OG-CD2 3.14Å; Y79-V87 WeakPolarHBondContact CA-O 3.3Å; Y79-V87 VanDerWaalsContact CD2-O 3.3Å; Y79-V87 WeakPolarHBondContact CD2-O 3.42Å; Y79-L88 HydrophobicContact CD2-CB 4.33Å; Y79-L88 HydrophobicContact CD2-CD1 4.13Å
80G96.6Very high95.7Very high13 Ų1346.9 Ų46.913%0.13422%0.22CC..EExtended strand (participates in β ladder)trans-178.2-166.5175.200000112.2W78 V87W78-G80 VanDerWaalsContact CH2-CA 3.46Å; G80-V87 PolarHBondContact N-O 3.04Å; G80-V87 PolarHBondContact O-N 3.35Å
81Q95.8Very high95.8Very high130 Ų13047.7 Ų47.761%0.60722%0.222SC*.EExtended strand (participates in β ladder)trans-111.1138.4178.2-69.4172.19.800109Y85 N86Q81-Y85 WeakPolarHBondContact CA-O 3.29Å; Q81-N86 WeakPolarHBondContact CG-OD1 3.38Å
82E95.1Very high95.8Very high55 Ų5545.6 Ų45.626%0.25721%0.208SC..EExtended strand (participates in β ladder)trans-140.1117.4174-166.772.2-119.600108F11 V13 G14 D84 Y85 V87F11-E82 HydrophobicContact CE1-CG 4.48Å; V13-E82 HydrophobicContact CB-CB 4.45Å; V13-E82 HydrophobicContact CB-CG 4.4Å; V13-E82 HydrophobicContact CG1-CB 4.13Å; V13-E82 HydrophobicContact CG1-CG 4.05Å; G14-E82 PolarHBondContact N-OE2 3.4Å; E82-D84 PolarHBondContact O-N 3.2Å; E82-Y85 PolarHBondContact N-O 2.9Å; E82-Y85 PolarHBondContact O-N 3.05Å; E82-Y85 VanDerWaalsContact O-N 3.1Å; E82-V87 HydrophobicContact CB-CG2 3.82Å
83K92.2Very high95.9Very high127 Ų12746.9 Ų46.955%0.55222%0.215SC*.THydrogen-bonded Turntrans52.2-129.3-171.2-52.8178.6-171.2172.20110.6F11 Q50 Y85F11-K83 HydrophobicContact CD2-CD 4.35Å; F11-K83 HydrophobicContact CE2-CD 3.67Å; F11-K83 HydrophobicContact CZ-CD 4.28Å; Q50-K83 PolarHBondContact NE2-O 3.32Å; K83-Y85 VanDerWaalsContact C-N 3.26Å; K83-Y85 PolarHBondContact O-N 2.64Å
84D93.4Very high95.7Very high93 Ų9347.5 Ų47.550%0.49722%0.222SC..THydrogen-bonded Turntrans-85.616.2180-62.5-53.1000114.3Q50 E82Q50-D84 WeakPolarHBondContact CB-O 3.49Å; Q50-D84 WeakPolarHBondContact CG-O 3.23Å; Q50-D84 PolarHBondContact N-O 2.83Å; E82-D84 PolarHBondContact O-N 3.2Å
85Y95.9Very high95.7Very high90 Ų9050 Ų5035%0.35324%0.238SC..EExtended strand (participates in β ladder)trans-120.8141.9-174.8-62.5-87.9000112.4F11 L47 E48 Q50 Q81 E82 K83F11-Y85 HydrophobicContact CZ-CD2 4.17Å; L47-Y85 HydrophobicContact CB-CD1 4.08Å; E48-Y85 CarbonylContact O-C 3.53Å; E48-Y85 VanDerWaalsContact O-CA 3.28Å; E48-Y85 WeakPolarHBondContact O-CA 3.32Å; Q50-Y85 PolarHBondContact NE2-O 3.27Å; Q81-Y85 WeakPolarHBondContact CA-O 3.29Å; E82-Y85 PolarHBondContact N-O 2.9Å; E82-Y85 PolarHBondContact O-N 3.05Å; E82-Y85 VanDerWaalsContact O-N 3.1Å; K83-Y85 VanDerWaalsContact C-N 3.26Å; K83-Y85 PolarHBondContact O-N 2.64Å
86N96.4Very high95.8Very high14 Ų1446.2 Ų46.28%0.07522%0.222CC..EExtended strand (participates in β ladder)trans-80.1138.9153.2-64.3-46.3000107.5E48 L57 Q81E48-N86 HydrophobicContact CB-CB 4.39Å; E48-N86 PolarHBondContact N-O 3.37Å; E48-N86 PolarHBondContact O-N 3.33Å; E48-N86 PolarHBondContact OE2-ND2 2.75Å; L57-N86 HydrophobicContact CB-CB 4.35Å; L57-N86 HydrophobicContact CD2-CB 3.99Å; L57-N86 VanDerWaalsContact CD2-O 3.29Å; L57-N86 WeakPolarHBondContact CD2-O 3.26Å; Q81-N86 WeakPolarHBondContact CG-OD1 3.38Å
87V97.3Very high95.9Very high0 Ų044.8 Ų44.80%022%0.215CC..EExtended strand (participates in β ladder)trans-131.5132.4-171.5-174.40000110V13 V45 K46 L47 W78 Y79 G80 E82 V89V13-V87 HydrophobicContact CB-CG1 3.96Å; V13-V87 HydrophobicContact CG1-CG1 4.03Å; V13-V87 HydrophobicContact CG1-CG2 4.27Å; V13-V87 HydrophobicContact CG2-CG1 3.91Å; V45-V87 HydrophobicContact CG1-CG1 3.53Å; K46-V87 WeakPolarHBondContact O-CA 3.28Å; L47-V87 HydrophobicContact CD2-CB 4.08Å; L47-V87 HydrophobicContact CD2-CG1 3.83Å; 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 4.27Å; W78-V87 HydrophobicContact CZ3-CB 3.68Å; W78-V87 HydrophobicContact CZ3-CG1 3.8Å; W78-V87 HydrophobicContact CZ3-CG2 4.44Å; Y79-V87 WeakPolarHBondContact CA-O 3.3Å; Y79-V87 VanDerWaalsContact CD2-O 3.3Å; Y79-V87 WeakPolarHBondContact CD2-O 3.42Å; G80-V87 PolarHBondContact N-O 3.04Å; G80-V87 PolarHBondContact O-N 3.35Å; E82-V87 HydrophobicContact CB-CG2 3.82Å; V87-V89 HydrophobicContact CG1-CG2 4.29Å
88L97.4Very high96Very high0 Ų040.7 Ų40.70%020%0.2CC..EExtended strand (participates in β ladder)trans-126.2117.8174-178.562.6000109.5V45 K46 L57 E60 Y64 I76 Y79 M90V45-L88 WeakPolarHBondContact CA-O 3.43Å; K46-L88 HydrophobicContact CB-CB 4.36Å; K46-L88 PolarHBondContact N-O 2.84Å; K46-L88 PolarHBondContact O-N 3.1Å; L57-L88 HydrophobicContact CD1-CB 3.75Å; L57-L88 HydrophobicContact CD1-CD2 3.81Å; L57-L88 HydrophobicContact CD1-CG 4.45Å; L57-L88 HydrophobicContact CD2-CB 3.97Å; L57-L88 HydrophobicContact CG-CB 3.89Å; L57-L88 HydrophobicContact CG-CD2 4.5Å; E60-L88 HydrophobicContact CG-CD2 4.48Å; Y64-L88 HydrophobicContact CD2-CD2 4.14Å; Y64-L88 HydrophobicContact CE2-CD2 4.15Å; I76-L88 HydrophobicContact CD1-CD1 3.98Å; I76-L88 HydrophobicContact CD1-CD2 4.35Å; I76-L88 HydrophobicContact CD1-CG 4.27Å; I76-L88 HydrophobicContact CG1-CD1 4.38Å; I76-L88 HydrophobicContact CG2-CD1 3.55Å; Y79-L88 HydrophobicContact CD2-CB 4.33Å; Y79-L88 HydrophobicContact CD2-CD1 4.13Å; L88-M90 HydrophobicContact CB-CE 4.3Å; L88-M90 HydrophobicContact CD2-CE 3.35Å; L88-M90 HydrophobicContact CG-CE 3.54Å
89V97.5Very high96Very high0 Ų041.6 Ų41.60%021%0.21CC..EExtended strand (participates in β ladder)trans-101.8126.3178-173.80000108.7V13 Y17 V43 A44 V45 R77 W78 V87V13-V89 HydrophobicContact CG2-CG2 4.11Å; Y17-V89 HydrophobicContact CD1-CG1 3.98Å; Y17-V89 HydrophobicContact CD2-CG1 4.14Å; Y17-V89 HydrophobicContact CD2-CG2 3.9Å; Y17-V89 HydrophobicContact CE1-CG1 3.91Å; Y17-V89 HydrophobicContact CE2-CB 4.43Å; Y17-V89 HydrophobicContact CE2-CG1 4.08Å; Y17-V89 HydrophobicContact CE2-CG2 4.21Å; Y17-V89 HydrophobicContact CG-CG1 4.08Å; Y17-V89 HydrophobicContact CG-CG2 4.31Å; V43-V89 HydrophobicContact CB-CG1 4.01Å; V43-V89 HydrophobicContact CG1-CG1 4.47Å; V43-V89 HydrophobicContact CG2-CG1 3.68Å; A44-V89 WeakPolarHBondContact O-CA 3.5Å; V45-V89 HydrophobicContact CG1-CG2 4.44Å; V45-V89 HydrophobicContact CG2-CG1 4.32Å; V45-V89 HydrophobicContact CG2-CG2 4.12Å; R77-V89 HydrophobicContact CB-CB 4.28Å; R77-V89 HydrophobicContact CB-CG1 3.95Å; R77-V89 HydrophobicContact CG-CG1 4.38Å; R77-V89 PolarHBondContact N-O 3.1Å; W78-V89 HydrophobicContact CB-CB 4.12Å; W78-V89 HydrophobicContact CB-CG2 4.18Å; W78-V89 HydrophobicContact CE3-CG2 3.9Å; W78-V89 PolarHBondContact N-O 3.36Å; W78-V89 PolarHBondContact O-N 3.19Å; V87-V89 HydrophobicContact CG1-CG2 4.29Å
90M96.4Very high96Very high18 Ų1839.4 Ų39.49%0.08920%0.202CC..EExtended strand (participates in β ladder)trans-142.9169.8-175.266.9-173.572.600111.8A44 K46 Y64 H75 I76 L88 L92A44-M90 HydrophobicContact CB-CG 3.97Å; A44-M90 PolarHBondContact N-O 3.35Å; A44-M90 PolarHBondContact O-N 3.04Å; K46-M90 HydrophobicContact CB-CE 4.3Å; Y64-M90 HydrophobicContact CE2-CE 4.35Å; H75-M90 CarbonylContact O-C 3.57Å; H75-M90 VanDerWaalsContact O-CA 3.23Å; H75-M90 WeakPolarHBondContact O-CA 3.25Å; H75-M90 WeakPolarHBondContact O-CB 3.47Å; I76-M90 HydrophobicContact CD1-CB 3.59Å; I76-M90 HydrophobicContact CD1-CE 4.38Å; L88-M90 HydrophobicContact CB-CE 4.3Å; L88-M90 HydrophobicContact CD2-CE 3.35Å; L88-M90 HydrophobicContact CG-CE 3.54Å; M90-L92 PolarHBondContact O-N 3.25Å
91D95.3Very high96Very high28 Ų2838.8 Ų38.815%0.1520%0.195CC..EExtended strand (participates in β ladder)trans-50.5134.4173.5-70.5-18.8000111.4P74 H75 R77 L93P74-D91 HydrophobicContact CB-CB 4.29Å; H75-D91 WeakPolarHBondContact CB-OD2 3.33Å; H75-D91 IonicContact CG-OD2 2.88Å; H75-D91 PolarHBondContact N-OD2 2.73Å; H75-D91 IonicContact ND1-OD2 3.83Å; H75-D91 PolarHBondContact ND1-OD2 3.23Å; H75-D91 PolarHBondContact O-N 2.95Å; R77-D91 IonicContact CZ-OD1 3.31Å; R77-D91 VanDerWaalsContact CZ-OD1 3.31Å; R77-D91 IonicContact NE-OD1 3.29Å; R77-D91 PolarHBondContact NE-OD1 3.04Å; R77-D91 IonicContact NH2-OD1 3.18Å; R77-D91 PolarHBondContact NH2-OD1 3.4Å; D91-L93 PolarHBondContact O-N 3.13Å
92L95.6Very high96.1Very high33 Ų3336 Ų3617%0.17319%0.185CC..  trans-73.5126168.7-172.970.2000108.9I23 L33 E42 A44 M90 I146I23-L92 HydrophobicContact CD1-CD1 3.68Å; L33-L92 HydrophobicContact CD1-CD1 4.07Å; L33-L92 HydrophobicContact CD1-CD2 3.59Å; L33-L92 HydrophobicContact CD1-CG 4.45Å; E42-L92 HydrophobicContact CB-CD2 3.91Å; A44-L92 HydrophobicContact CB-CD1 4.03Å; M90-L92 PolarHBondContact O-N 3.25Å; L92-I146 HydrophobicContact CB-CD1 4.16Å; L92-I146 HydrophobicContact CD2-CD1 3.8Å; L92-I146 HydrophobicContact CG-CD1 3.64Å; L92-I146 WeakPolarHBondContact O-CD1 3.36Å
93L95Very high96.1Very high27 Ų2738.5 Ų38.514%0.14120%0.195CC..  trans-109.4162.8177.1-65.2-175.9000111.8P74 D91 L143 I146 F182 I184P74-L93 HydrophobicContact CG-CD1 3.94Å; D91-L93 PolarHBondContact O-N 3.13Å; L93-L143 HydrophobicContact CB-CB 4.09Å; L93-L143 HydrophobicContact CB-CD2 3.76Å; L93-L143 HydrophobicContact CD1-CB 3.96Å; L93-L143 HydrophobicContact CD1-CD2 4.2Å; L93-I146 VanDerWaalsContact C-CD1 3.48Å; L93-I146 WeakPolarHBondContact O-CD1 3.32Å; L93-F182 HydrophobicContact CD1-CB 3.57Å; L93-F182 HydrophobicContact CD1-CD1 4.17Å; L93-F182 HydrophobicContact CD1-CD2 4.41Å; L93-F182 HydrophobicContact CD1-CG 3.81Å; L93-F182 HydrophobicContact CD2-CD1 4Å; L93-F182 HydrophobicContact CD2-CD2 3.91Å; L93-F182 HydrophobicContact CD2-CE1 4.15Å; L93-F182 HydrophobicContact CD2-CE2 4.07Å; L93-F182 HydrophobicContact CD2-CG 3.89Å; L93-F182 HydrophobicContact CD2-CZ 4.18Å; L93-I184 HydrophobicContact CD1-CG2 3.83Å
94G94.2Very high96.3Very high17 Ų1733 Ų3318%0.17517%0.172CC..  trans-76.3-164.6178.100000112.6L143 M144G94-L143 WeakPolarHBondContact O-CD2 3.38Å; G94-M144 WeakPolarHBondContact CA-O 3.34Å; G94-M144 PolarHBondContact N-O 2.83Å
95P94.8Very high96.5Very high54 Ų5433.6 Ų33.635%0.35118%0.184SC..  trans-64.3151.4-177.528-35.4000112.2D99 L100 M144P95-D99 HydrophobicContact CB-CB 3.89Å; P95-L100 HydrophobicContact CB-CD2 4.23Å; P95-L100 HydrophobicContact CB-CG 4.08Å; P95-L100 HydrophobicContact CG-CD1 4.15Å; P95-L100 HydrophobicContact CG-CD2 3.62Å; P95-L100 HydrophobicContact CG-CG 3.82Å; P95-M144 PolarHBondContact O-N 3.11Å; P95-M144 VanDerWaalsContact O-N 3.12Å
96S96.8Very high96.5Very high9 Ų932.9 Ų32.96%0.06318%0.18CC..BIsolated β-bridgetrans-70.6165171.271.30000111.5E98 D99 L100 F142S96-E98 PolarHBondContact O-N 2.7Å; S96-E98 PolarHBondContact OG-N 3.25Å; S96-D99 WeakPolarHBondContact CB-OD2 3.39Å; S96-D99 PolarHBondContact N-OD2 3.37Å; S96-D99 PolarHBondContact O-N 2.81Å; S96-D99 PolarHBondContact OG-N 3.18Å; S96-D99 VanDerWaalsContact OG-N 3.14Å; S96-D99 PolarHBondContact OG-OD2 3.38Å; S96-L100 WeakPolarHBondContact O-CG 3.45Å; S96-L100 PolarHBondContact O-N 3.45Å; S96-F142 CarbonylContact C-O 3.53Å; S96-F142 VanDerWaalsContact CA-O 3.3Å; S96-F142 WeakPolarHBondContact CA-O 3.19Å
97L98.3Very high96.5Very high0 Ų041.4 Ų41.40%021%0.212CC..Hα-helixtrans-65.1-27.8172.8-66.5-174.4000112.3L100 F101 L116 M120 P139 F142 L181 F242 W326L97-L100 HydrophobicContact CD2-CD1 4.24Å; L97-F101 WeakPolarHBondContact O-CB 3.45Å; L97-F101 PolarHBondContact O-N 2.98Å; L97-L116 HydrophobicContact CD1-CD1 4.18Å; L97-L116 HydrophobicContact CD1-CD2 4.16Å; L97-L116 HydrophobicContact CD2-CD1 4Å; L97-L116 HydrophobicContact CD2-CD2 3.73Å; L97-M120 HydrophobicContact CD1-CE 4.2Å; L97-M120 HydrophobicContact CD1-SD 4.06Å; L97-P139 HydrophobicContact CB-CB 4.25Å; L97-P139 PolarHBondContact N-O 2.66Å; L97-F142 HydrophobicContact CD1-CB 3.6Å; L97-F142 HydrophobicContact CD1-CG 4.29Å; L97-F142 HydrophobicContact CG-CB 3.78Å; L97-F142 PolarHBondContact N-O 3.08Å; L97-L181 HydrophobicContact CD1-CD1 4.1Å; L97-L181 HydrophobicContact CD1-CD2 4.29Å; L97-L181 HydrophobicContact CD2-CD1 3.77Å; L97-L181 HydrophobicContact CG-CD1 3.97Å; L97-F242 HydrophobicContact CB-CE1 4.49Å; L97-F242 HydrophobicContact CB-CZ 3.87Å; L97-F242 HydrophobicContact CD1-CE2 4.18Å; L97-F242 HydrophobicContact CD1-CZ 4.06Å; L97-W326 HydrophobicContact CD2-CH2 4.28Å
98E97.8Very high96.6Very high22 Ų2242 Ų4210%0.10321%0.214CC..Hα-helixtrans-67.7-43172.7-17161.5-153.400111S96 L100 F101 N102 R106 P139 Y241S96-E98 PolarHBondContact O-N 2.7Å; S96-E98 PolarHBondContact OG-N 3.25Å; E98-L100 PolarHBondContact O-N 2.94Å; E98-F101 PolarHBondContact O-N 2.86Å; E98-N102 PolarHBondContact O-N 2.81Å; E98-N102 PolarHBondContact O-ND2 3.17Å; E98-R106 IonicContact OE1-NH1 3.18Å; E98-R106 PolarHBondContact OE1-NH1 2.71Å; E98-P139 HydrophobicContact CB-CB 3.97Å; E98-Y241 VanDerWaalsContact CD-OH 3.27Å; E98-Y241 PolarHBondContact OE1-OH 3.5Å; E98-Y241 VanDerWaalsContact OE2-CE1 3.28Å; E98-Y241 WeakPolarHBondContact OE2-CE1 3.45Å; E98-Y241 PolarHBondContact OE2-OH 2.92Å
99D96.4Very high96.6Very high91 Ų9145.1 Ų45.149%0.48723%0.234SC..Hα-helixtrans-60.9-45.9176.3-61.2-46.1000111.1P95 S96 F101 N102 F103P95-D99 HydrophobicContact CB-CB 3.89Å; S96-D99 WeakPolarHBondContact CB-OD2 3.39Å; S96-D99 PolarHBondContact N-OD2 3.37Å; S96-D99 PolarHBondContact O-N 2.81Å; S96-D99 PolarHBondContact OG-N 3.18Å; S96-D99 VanDerWaalsContact OG-N 3.14Å; S96-D99 PolarHBondContact OG-OD2 3.38Å; D99-F101 VanDerWaalsContact C-N 3.33Å; D99-F101 PolarHBondContact O-N 3.49Å; D99-N102 PolarHBondContact O-N 2.89Å; D99-F103 WeakPolarHBondContact O-CB 3.19Å; D99-F103 PolarHBondContact O-N 2.86Å
100L97.3Very high96.7Very high6 Ų647.1 Ų47.13%0.03124%0.243CC..Hα-helixtrans-66.3-35.8177.6-69.7171.9000112P95 S96 L97 E98 F103 C104 F108 M144 W326P95-L100 HydrophobicContact CB-CD2 4.23Å; P95-L100 HydrophobicContact CB-CG 4.08Å; P95-L100 HydrophobicContact CG-CD1 4.15Å; P95-L100 HydrophobicContact CG-CD2 3.62Å; P95-L100 HydrophobicContact CG-CG 3.82Å; S96-L100 WeakPolarHBondContact O-CG 3.45Å; S96-L100 PolarHBondContact O-N 3.45Å; L97-L100 HydrophobicContact CD2-CD1 4.24Å; E98-L100 PolarHBondContact O-N 2.94Å; L100-F103 PolarHBondContact O-N 2.81Å; L100-C104 WeakPolarHBondContact O-CB 3.33Å; L100-C104 PolarHBondContact O-N 3.02Å; L100-C104 PolarHBondContact O-SG 2.94Å; L100-C104 VanDerWaalsContact O-SG 3.41Å; L100-F108 HydrophobicContact CB-CZ 4.21Å; L100-M144 HydrophobicContact CD1-CB 4.5Å; L100-M144 HydrophobicContact CD1-CG 3.5Å; L100-W326 HydrophobicContact CB-CD2 4.23Å; L100-W326 HydrophobicContact CB-CE3 3.86Å; L100-W326 HydrophobicContact CB-CZ3 4.19Å; L100-W326 HydrophobicContact CD1-CD2 3.94Å; L100-W326 HydrophobicContact CD1-CE3 4.15Å; L100-W326 HydrophobicContact CD1-CH2 4.1Å; L100-W326 HydrophobicContact CD1-CZ2 3.87Å; L100-W326 HydrophobicContact CD1-CZ3 4.23Å; L100-W326 HydrophobicContact CD2-CB 4Å; L100-W326 HydrophobicContact CD2-CD2 3.9Å; L100-W326 HydrophobicContact CD2-CE3 4.38Å; L100-W326 HydrophobicContact CD2-CG 3.73Å; L100-W326 HydrophobicContact CG-CD2 4.25Å; L100-W326 HydrophobicContact CG-CE3 4.36Å
101F98.1Very high96.8Very high0 Ų048.1 Ų48.10%025%0.247CC..Hα-helixtrans-64.2-45.3175.4-169.6-126.7000111L97 E98 D99 C104 S105 R106 F108 Y241 F242L97-F101 WeakPolarHBondContact O-CB 3.45Å; L97-F101 PolarHBondContact O-N 2.98Å; E98-F101 PolarHBondContact O-N 2.86Å; D99-F101 VanDerWaalsContact C-N 3.33Å; D99-F101 PolarHBondContact O-N 3.49Å; F101-C104 CarbonylContact O-C 3.58Å; F101-C104 PolarHBondContact O-N 3.5Å; F101-S105 PolarHBondContact O-N 3.33Å; F101-R106 HydrophobicContact CD1-CB 4.15Å; F101-R106 HydrophobicContact CD1-CG 4.36Å; F101-R106 HydrophobicContact CE1-CB 3.84Å; F101-R106 HydrophobicContact CE1-CG 4.43Å; F101-R106 WeakPolarHBondContact CE2-O 3.43Å; F101-R106 HydrophobicContact CZ-CB 4.2Å; F101-R106 WeakPolarHBondContact CZ-O 3.27Å; F101-R106 WeakPolarHBondContact O-CA 3.46Å; F101-R106 PolarHBondContact O-N 3.09Å; F101-F108 HydrophobicContact CB-CE1 4.29Å; F101-F108 HydrophobicContact CB-CE2 3.99Å; F101-F108 HydrophobicContact CB-CZ 3.71Å; F101-F108 AromaticContact CD2-CD1 3.92Å; F101-F108 HydrophobicContact CD2-CD1 3.92Å; F101-F108 AromaticContact CD2-CD2 3.62Å; F101-F108 HydrophobicContact CD2-CD2 3.62Å; F101-F108 AromaticContact CD2-CE1 3.93Å; F101-F108 HydrophobicContact CD2-CE1 3.93Å; F101-F108 AromaticContact CD2-CE2 3.63Å; F101-F108 HydrophobicContact CD2-CE2 3.63Å; F101-F108 AromaticContact CD2-CG 3.75Å; F101-F108 HydrophobicContact CD2-CG 3.75Å; F101-F108 AromaticContact CD2-CZ 3.79Å; F101-F108 HydrophobicContact CD2-CZ 3.79Å; F101-F108 HydrophobicContact CE2-CB 4.45Å; F101-F108 HydrophobicContact CE2-CD2 4.1Å; F101-F108 HydrophobicContact CE2-CG 4.09Å; F101-F108 HydrophobicContact CG-CE2 4.24Å; F101-F108 HydrophobicContact CG-CZ 4.27Å; F101-Y241 AromaticContact CD1-CE1 3.91Å; F101-Y241 HydrophobicContact CD1-CE1 3.91Å; F101-Y241 AromaticContact CE1-CE1 3.88Å; F101-Y241 HydrophobicContact CE1-CE1 3.88Å; F101-Y241 HydrophobicContact CE1-CE2 4.46Å; F101-Y241 AromaticContact CE1-CZ 3.88Å; F101-F242 HydrophobicContact CB-CE1 4.35Å; F101-F242 HydrophobicContact CD1-CD1 4.38Å; F101-F242 AromaticContact CD2-CD1 3.86Å; F101-F242 HydrophobicContact CD2-CD1 3.86Å; F101-F242 HydrophobicContact CD2-CE1 4.5Å; F101-F242 HydrophobicContact CE2-CB 4.36Å; F101-F242 HydrophobicContact CE2-CD1 4.02Å; F101-F242 HydrophobicContact CG-CD1 4.03Å; F101-F242 HydrophobicContact CG-CE1 4.31Å; F101-F242 HydrophobicContact CZ-CD1 4.34Å
102N97.1Very high96.9Very high73 Ų7346.8 Ų46.839%0.3924%0.24SC..Hα-helixtrans-63.6-40.4174.6-69.1-41.9000112E98 D99 C104 S105 R106E98-N102 PolarHBondContact O-N 2.81Å; E98-N102 PolarHBondContact O-ND2 3.17Å; D99-N102 PolarHBondContact O-N 2.89Å; N102-C104 VanDerWaalsContact C-N 3.28Å; N102-C104 PolarHBondContact O-N 3.05Å; N102-S105 WeakPolarHBondContact O-CA 3.36Å; N102-S105 PolarHBondContact O-N 2.82Å; N102-R106 WeakPolarHBondContact OD1-CG 3.44Å; N102-R106 PolarHBondContact OD1-NH1 2.97Å
103F95.4Very high97.1Very high107 Ų10745.2 Ų45.247%0.46923%0.232SC..Hα-helixtrans-59.9-37.4174.3-179.5-104.1000112.5D99 L100 S105 W326 L329 K330D99-F103 WeakPolarHBondContact O-CB 3.19Å; D99-F103 PolarHBondContact O-N 2.86Å; L100-F103 PolarHBondContact O-N 2.81Å; F103-S105 PolarHBondContact O-N 3.43Å; F103-W326 HydrophobicContact CD1-CB 3.83Å; F103-W326 HydrophobicContact CE1-CB 4.04Å; F103-L329 HydrophobicContact CD1-CD1 4.23Å; F103-L329 HydrophobicContact CE1-CB 3.81Å; F103-L329 HydrophobicContact CE1-CD1 4.05Å; F103-L329 HydrophobicContact CZ-CB 4.27Å; F103-K330 HydrophobicContact CE1-CG 4.34Å; F103-K330 HydrophobicContact CZ-CG 4.29Å
104C96.4Very high97.3Very high10 Ų1044.1 Ų44.17%0.06823%0.226CC..THydrogen-bonded Turntrans-82.624.8173.1-65.80000113.2L100 F101 N102 R106 R107 F108 W326 L329L100-C104 WeakPolarHBondContact O-CB 3.33Å; L100-C104 PolarHBondContact O-N 3.02Å; L100-C104 PolarHBondContact O-SG 2.94Å; L100-C104 VanDerWaalsContact O-SG 3.41Å; F101-C104 CarbonylContact O-C 3.58Å; F101-C104 PolarHBondContact O-N 3.5Å; N102-C104 VanDerWaalsContact C-N 3.28Å; N102-C104 PolarHBondContact O-N 3.05Å; C104-R106 PolarHBondContact O-N 3.3Å; C104-R107 WeakPolarHBondContact CB-O 3.41Å; C104-R107 PolarHBondContact O-N 2.88Å; C104-R107 VanDerWaalsContact O-N 3.15Å; C104-F108 HydrophobicContact CB-CD1 3.93Å; C104-F108 HydrophobicContact CB-CE1 3.78Å; C104-W326 PolarHBondContact SG-N 2.92Å; C104-L329 HydrophobicContact CB-CD1 4.35Å
105S96.7Very high97.5Very high106 Ų10643.3 Ų43.374%0.74122%0.218SC*.THydrogen-bonded Turntrans54.637.6-179.9-51.90000113.4F101 N102 F103 R107F101-S105 PolarHBondContact O-N 3.33Å; N102-S105 WeakPolarHBondContact O-CA 3.36Å; N102-S105 PolarHBondContact O-N 2.82Å; F103-S105 PolarHBondContact O-N 3.43Å; S105-R107 VanDerWaalsContact C-N 3.25Å; S105-R107 PolarHBondContact O-N 2.8Å
106R97.3Very high97.6Very high75 Ų7540.8 Ų40.828%0.28320%0.201SC..THydrogen-bonded Turntrans58.135179.9-56.3-175.757.7718.4113.5E98 F101 N102 C104 Y241 T245E98-R106 IonicContact OE1-NH1 3.18Å; E98-R106 PolarHBondContact OE1-NH1 2.71Å; F101-R106 HydrophobicContact CD1-CB 4.15Å; F101-R106 HydrophobicContact CD1-CG 4.36Å; F101-R106 HydrophobicContact CE1-CB 3.84Å; F101-R106 HydrophobicContact CE1-CG 4.43Å; F101-R106 WeakPolarHBondContact CE2-O 3.43Å; F101-R106 HydrophobicContact CZ-CB 4.2Å; F101-R106 WeakPolarHBondContact CZ-O 3.27Å; F101-R106 WeakPolarHBondContact O-CA 3.46Å; F101-R106 PolarHBondContact O-N 3.09Å; N102-R106 WeakPolarHBondContact OD1-CG 3.44Å; N102-R106 PolarHBondContact OD1-NH1 2.97Å; C104-R106 PolarHBondContact O-N 3.3Å; R106-Y241 PolarHBondContact NH1-OH 3.49Å; R106-Y241 PolarHBondContact NH2-OH 3.12Å; R106-T245 PolarHBondContact NH2-O 3.36Å; R106-T245 WeakPolarHBondContact O-CB 3.39Å; R106-T245 WeakPolarHBondContact O-CG2 3.37Å
107R96.1Very high97.7Very high193 Ų19340.3 Ų40.373%0.72820%0.198SC*.  trans-140.7120.9177.3-171.9172.5-179.7158.3-0.7110C104 S105C104-R107 WeakPolarHBondContact CB-O 3.41Å; C104-R107 PolarHBondContact O-N 2.88Å; C104-R107 VanDerWaalsContact O-N 3.15Å; S105-R107 VanDerWaalsContact C-N 3.25Å; S105-R107 PolarHBondContact O-N 2.8Å
108F98.6Very high97.7Very high12 Ų1241.3 Ų41.35%0.05320%0.204CC..  trans-104.9148.6167-70.4-27.5000111.1L100 F101 C104 T112 V113 L116 F242 D325 W326L100-F108 HydrophobicContact CB-CZ 4.21Å; F101-F108 HydrophobicContact CB-CE1 4.29Å; F101-F108 HydrophobicContact CB-CE2 3.99Å; F101-F108 HydrophobicContact CB-CZ 3.71Å; F101-F108 AromaticContact CD2-CD1 3.92Å; F101-F108 HydrophobicContact CD2-CD1 3.92Å; F101-F108 AromaticContact CD2-CD2 3.62Å; F101-F108 HydrophobicContact CD2-CD2 3.62Å; F101-F108 AromaticContact CD2-CE1 3.93Å; F101-F108 HydrophobicContact CD2-CE1 3.93Å; F101-F108 AromaticContact CD2-CE2 3.63Å; F101-F108 HydrophobicContact CD2-CE2 3.63Å; F101-F108 AromaticContact CD2-CG 3.75Å; F101-F108 HydrophobicContact CD2-CG 3.75Å; F101-F108 AromaticContact CD2-CZ 3.79Å; F101-F108 HydrophobicContact CD2-CZ 3.79Å; F101-F108 HydrophobicContact CE2-CB 4.45Å; F101-F108 HydrophobicContact CE2-CD2 4.1Å; F101-F108 HydrophobicContact CE2-CG 4.09Å; F101-F108 HydrophobicContact CG-CE2 4.24Å; F101-F108 HydrophobicContact CG-CZ 4.27Å; C104-F108 HydrophobicContact CB-CD1 3.93Å; C104-F108 HydrophobicContact CB-CE1 3.78Å; F108-T112 HydrophobicContact CB-CG2 3.99Å; F108-T112 HydrophobicContact CD1-CG2 3.98Å; F108-T112 HydrophobicContact CD2-CG2 4.05Å; F108-T112 HydrophobicContact CE1-CG2 4.47Å; F108-T112 HydrophobicContact CG-CG2 3.76Å; F108-V113 HydrophobicContact CB-CG2 3.79Å; F108-L116 HydrophobicContact CD2-CD1 4.34Å; F108-L116 HydrophobicContact CE2-CD1 4.12Å; F108-F242 HydrophobicContact CD2-CB 3.95Å; F108-F242 AromaticContact CD2-CD1 3.82Å; F108-F242 HydrophobicContact CD2-CD1 3.82Å; F108-F242 HydrophobicContact CD2-CD2 4.38Å; F108-F242 HydrophobicContact CD2-CE1 4.41Å; F108-F242 AromaticContact CD2-CG 3.81Å; F108-F242 HydrophobicContact CD2-CG 3.81Å; F108-F242 AromaticContact CE2-CD1 3.79Å; F108-F242 HydrophobicContact CE2-CD1 3.79Å; F108-F242 AromaticContact CE2-CE1 3.94Å; F108-F242 HydrophobicContact CE2-CE1 3.94Å; F108-F242 HydrophobicContact CE2-CG 4.15Å; F108-F242 HydrophobicContact CE2-CZ 4.4Å; F108-D325 WeakPolarHBondContact CA-OD2 3.33Å; F108-D325 HydrophobicContact CD1-CB 4.49Å; F108-W326 HydrophobicContact CD1-CZ3 4.4Å; F108-W326 AromaticContact CE1-CE3 3.74Å; F108-W326 HydrophobicContact CE1-CE3 3.74Å; F108-W326 AromaticContact CE1-CZ3 3.66Å; F108-W326 HydrophobicContact CE1-CZ3 3.66Å; F108-W326 HydrophobicContact CE2-CZ3 4.26Å; F108-W326 HydrophobicContact CZ-CE3 4.02Å; F108-W326 AromaticContact CZ-CZ3 3.58Å; F108-W326 HydrophobicContact CZ-CZ3 3.58Å
109T98.5Very high97.7Very high67 Ų6740.9 Ų40.941%0.41120%0.201SC..  trans-75.5157.3169.664.70000110.4K111 T112 V113 D325T109-K111 PolarHBondContact O-N 3.44Å; T109-T112 PolarHBondContact O-N 3.02Å; T109-T112 VanDerWaalsContact O-N 3.12Å; T109-T112 PolarHBondContact OG1-N 3.2Å; T109-T112 PolarHBondContact OG1-OG1 2.98Å; T109-V113 WeakPolarHBondContact O-CG2 3.38Å; T109-V113 PolarHBondContact O-N 3Å; T109-D325 WeakPolarHBondContact CB-OD1 3.49Å; T109-D325 WeakPolarHBondContact CG2-OD1 3.25Å; T109-D325 PolarHBondContact N-OD2 2.74Å; T109-D325 PolarHBondContact OG1-OD1 3.44Å; T109-D325 PolarHBondContact OG1-OD2 2.77Å
110M98.6Very high97.9Very high42 Ų4236.5 Ų36.521%0.20718%0.178CC..Hα-helixtrans-56.8-39.8175.3-171.155.662.300111.5T112 V113 L114 F280 P281 F284 L316M110-T112 PolarHBondContact O-N 3.26Å; M110-V113 PolarHBondContact O-N 3.23Å; M110-L114 HydrophobicContact CG-CD1 3.79Å; M110-L114 HydrophobicContact CG-CG 4.19Å; M110-L114 WeakPolarHBondContact O-CB 3.17Å; M110-L114 VanDerWaalsContact O-CG 3.24Å; M110-L114 WeakPolarHBondContact O-CG 3.29Å; M110-L114 PolarHBondContact O-N 3.3Å; M110-L114 HydrophobicContact SD-CD1 4.12Å; M110-L114 HydrophobicContact SD-CD2 4.31Å; M110-L114 HydrophobicContact SD-CG 3.98Å; M110-F280 HydrophobicContact CE-CD1 4.14Å; M110-P281 HydrophobicContact CE-CG 3.97Å; M110-P281 HydrophobicContact SD-CG 4.33Å; M110-F284 HydrophobicContact CE-CE2 3.82Å; M110-F284 HydrophobicContact CE-CZ 4.24Å; M110-F284 HydrophobicContact SD-CE2 3.55Å; M110-F284 VanDerWaalsContact SD-CE2 3.55Å; M110-F284 HydrophobicContact SD-CZ 3.65Å; M110-L316 HydrophobicContact CG-CD1 3.67Å
111K98.4Very high97.9Very high38 Ų3836.2 Ų36.217%0.16518%0.177CC..Hα-helixtrans-54.3-51.3174.2-170.9-171.3175.9-173.30111.7T109 L114 M115 F313 H318 Q319 D321T109-K111 PolarHBondContact O-N 3.44Å; K111-L114 PolarHBondContact O-N 3.05Å; K111-M115 HydrophobicContact CD-CE 4.47Å; K111-M115 HydrophobicContact CG-CE 4.14Å; K111-M115 WeakPolarHBondContact O-CG 3.43Å; K111-M115 PolarHBondContact O-N 3.12Å; K111-F313 HydrophobicContact CG-CE2 3.76Å; K111-F313 HydrophobicContact CG-CZ 4.18Å; K111-H318 HydrophobicContact CG-CB 4.12Å; K111-Q319 VanDerWaalsContact CE-O 3.24Å; K111-Q319 WeakPolarHBondContact CE-O 3.5Å; K111-D321 WeakPolarHBondContact CE-OD1 3.46Å; K111-D321 IonicContact NZ-OD1 2.74Å; K111-D321 PolarHBondContact NZ-OD1 2.91Å; K111-D321 IonicContact NZ-OD2 2.8Å; K111-D321 PolarHBondContact NZ-OD2 3.1Å
112T98.4Very high98Very high0 Ų037.6 Ų37.60%019%0.186CC..Hα-helixtrans-62-46.8178.8-72.20000111.6F108 T109 M110 L114 M115 L116 F324 D325 W326F108-T112 HydrophobicContact CB-CG2 3.99Å; F108-T112 HydrophobicContact CD1-CG2 3.98Å; F108-T112 HydrophobicContact CD2-CG2 4.05Å; F108-T112 HydrophobicContact CE1-CG2 4.47Å; F108-T112 HydrophobicContact CG-CG2 3.76Å; T109-T112 PolarHBondContact O-N 3.02Å; T109-T112 VanDerWaalsContact O-N 3.12Å; T109-T112 PolarHBondContact OG1-N 3.2Å; T109-T112 PolarHBondContact OG1-OG1 2.98Å; M110-T112 PolarHBondContact O-N 3.26Å; T112-L114 PolarHBondContact O-N 2.85Å; T112-M115 PolarHBondContact O-N 3.35Å; T112-L116 HydrophobicContact CG2-CD1 3.95Å; T112-L116 HydrophobicContact CG2-CG 4.5Å; T112-L116 WeakPolarHBondContact O-CB 3.47Å; T112-L116 WeakPolarHBondContact O-CG 3.48Å; T112-L116 PolarHBondContact O-N 2.91Å; T112-F324 HydrophobicContact CG2-CD1 4.12Å; T112-D325 WeakPolarHBondContact CB-OD2 3.46Å; T112-D325 PolarHBondContact OG1-N 3.1Å; T112-D325 VanDerWaalsContact OG1-N 3.09Å; T112-D325 PolarHBondContact OG1-OD1 3.26Å; T112-D325 PolarHBondContact OG1-OD2 3.14Å; T112-W326 HydrophobicContact CG2-CH2 4.15Å; T112-W326 HydrophobicContact CG2-CZ3 3.72Å
113V98.8Very high98.1Very high0 Ų035.2 Ų35.20%017%0.172CC..Hα-helixtrans-60.9-43.9180176.10000111.6F108 T109 M110 L116 A117 L239 F242 F284F108-V113 HydrophobicContact CB-CG2 3.79Å; T109-V113 WeakPolarHBondContact O-CG2 3.38Å; T109-V113 PolarHBondContact O-N 3Å; M110-V113 PolarHBondContact O-N 3.23Å; V113-L116 PolarHBondContact O-N 3.47Å; V113-A117 WeakPolarHBondContact O-CB 3.45Å; V113-A117 PolarHBondContact O-N 3.16Å; V113-L239 HydrophobicContact CG1-CD2 4.13Å; V113-F242 HydrophobicContact CG2-CB 3.89Å; V113-F284 HydrophobicContact CG1-CE1 4.04Å; V113-F284 HydrophobicContact CG1-CZ 4.05Å
114L98.8Very high98.2Very high5 Ų530.1 Ų30.13%0.02615%0.15CC..Hα-helixtrans-69.5-39.3179.8-66.3174.5000112.7M110 K111 T112 L116 A117 D118 F284 F309 L312 F313 L316M110-L114 HydrophobicContact CG-CD1 3.79Å; M110-L114 HydrophobicContact CG-CG 4.19Å; M110-L114 WeakPolarHBondContact O-CB 3.17Å; M110-L114 VanDerWaalsContact O-CG 3.24Å; M110-L114 WeakPolarHBondContact O-CG 3.29Å; M110-L114 PolarHBondContact O-N 3.3Å; M110-L114 HydrophobicContact SD-CD1 4.12Å; M110-L114 HydrophobicContact SD-CD2 4.31Å; M110-L114 HydrophobicContact SD-CG 3.98Å; K111-L114 PolarHBondContact O-N 3.05Å; T112-L114 PolarHBondContact O-N 2.85Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 3.18Å; L114-A117 PolarHBondContact O-N 3.31Å; L114-D118 PolarHBondContact O-N 2.8Å; L114-F284 HydrophobicContact CD2-CZ 4.07Å; L114-F309 HydrophobicContact CD2-CB 3.8Å; L114-F309 HydrophobicContact CD2-CD1 3.44Å; L114-F309 VanDerWaalsContact CD2-CD1 3.44Å; L114-F309 HydrophobicContact CD2-CE1 4.31Å; L114-F309 HydrophobicContact CD2-CG 3.88Å; L114-L312 HydrophobicContact CD1-CD2 4.06Å; L114-L312 HydrophobicContact CD1-CG 4.02Å; L114-L312 HydrophobicContact CD2-CD2 3.89Å; L114-F313 HydrophobicContact CB-CD2 3.73Å; L114-F313 HydrophobicContact CB-CE2 4.48Å; L114-F313 HydrophobicContact CD1-CB 4.14Å; L114-F313 HydrophobicContact CD1-CD2 4.06Å; L114-L316 HydrophobicContact CD1-CD1 4.15Å
115M98.2Very high98.3Very high0 Ų032 Ų320%016%0.157CC..Hα-helixtrans-63.3-39.6174-72.3-167.7-61.700112K111 T112 F313 Y320 F324K111-M115 HydrophobicContact CD-CE 4.47Å; K111-M115 HydrophobicContact CG-CE 4.14Å; K111-M115 WeakPolarHBondContact O-CG 3.43Å; K111-M115 PolarHBondContact O-N 3.12Å; T112-M115 PolarHBondContact O-N 3.35Å; M115-F313 HydrophobicContact CG-CE2 3.59Å; M115-F313 HydrophobicContact CG-CZ 3.84Å; M115-F313 HydrophobicContact SD-CE2 4.47Å; M115-F313 HydrophobicContact SD-CZ 4.28Å; M115-Y320 HydrophobicContact CB-CE2 4.07Å; M115-Y320 HydrophobicContact CG-CD2 3.89Å; M115-Y320 HydrophobicContact CG-CE2 3.76Å; M115-Y320 HydrophobicContact SD-CD2 4.4Å; M115-F324 HydrophobicContact CB-CE1 3.78Å; M115-F324 HydrophobicContact CB-CZ 4.47Å; M115-F324 HydrophobicContact CE-CD1 3.61Å; M115-F324 HydrophobicContact CE-CE1 3.81Å; M115-F324 HydrophobicContact CE-CG 4.13Å; M115-F324 HydrophobicContact CE-CZ 4.47Å
116L98.6Very high98.4Very high0 Ų029 Ų290%013%0.13CC..Hα-helixtrans-66.9-45.1175-73.4174.3000111.6L97 F108 T112 V113 L114 D118 Q119 M120 L181 F324 W326L97-L116 HydrophobicContact CD1-CD1 4.18Å; L97-L116 HydrophobicContact CD1-CD2 4.16Å; L97-L116 HydrophobicContact CD2-CD1 4Å; L97-L116 HydrophobicContact CD2-CD2 3.73Å; F108-L116 HydrophobicContact CD2-CD1 4.34Å; F108-L116 HydrophobicContact CE2-CD1 4.12Å; T112-L116 HydrophobicContact CG2-CD1 3.95Å; T112-L116 HydrophobicContact CG2-CG 4.5Å; T112-L116 WeakPolarHBondContact O-CB 3.47Å; T112-L116 WeakPolarHBondContact O-CG 3.48Å; T112-L116 PolarHBondContact O-N 2.91Å; V113-L116 PolarHBondContact O-N 3.47Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 3.18Å; L116-D118 VanDerWaalsContact C-N 3.27Å; L116-D118 PolarHBondContact O-N 3.37Å; L116-Q119 PolarHBondContact O-N 3.06Å; L116-Q119 VanDerWaalsContact O-N 3.11Å; L116-M120 HydrophobicContact CB-SD 4.25Å; L116-M120 WeakPolarHBondContact O-CB 3.48Å; L116-M120 VanDerWaalsContact O-CG 3.22Å; L116-M120 WeakPolarHBondContact O-CG 3.33Å; L116-M120 PolarHBondContact O-N 2.87Å; L116-L181 HydrophobicContact CD2-CD1 4.22Å; L116-L181 HydrophobicContact CD2-CD2 4.27Å; L116-F324 HydrophobicContact CD2-CE1 4.06Å; L116-F324 HydrophobicContact CG-CE1 4.15Å; L116-W326 HydrophobicContact CD1-CH2 4.08Å; L116-W326 HydrophobicContact CD1-CZ3 4.39Å; L116-W326 HydrophobicContact CD2-CH2 4.13Å; L116-W326 HydrophobicContact CG-CH2 4.38Å
117A98.8Very high98.5Very high0 Ų025.4 Ų25.40%012%0.116CC..Hα-helixtrans-53.8-44179.900000112V113 L114 Q119 M120 I121 L239 F309V113-A117 WeakPolarHBondContact O-CB 3.45Å; V113-A117 PolarHBondContact O-N 3.16Å; L114-A117 PolarHBondContact O-N 3.31Å; A117-Q119 PolarHBondContact O-N 2.94Å; A117-M120 PolarHBondContact O-N 2.99Å; A117-I121 VanDerWaalsContact O-CG1 3.25Å; A117-I121 WeakPolarHBondContact O-CG1 3.45Å; A117-I121 PolarHBondContact O-N 3.13Å; A117-L239 HydrophobicContact CB-CD1 3.86Å; A117-L239 HydrophobicContact CB-CD2 3.82Å; A117-F309 HydrophobicContact CB-CD2 3.87Å; A117-F309 HydrophobicContact CB-CE2 4.21Å; A117-F309 HydrophobicContact CB-CG 4.38Å
118D98Very high98.6Very high21 Ų2116.3 Ų16.311%0.1128%0.082CC..Hα-helixtrans-58-46.2177.9-171.471.4000112.8L114 L116 S122 R306 R310L114-D118 PolarHBondContact O-N 2.8Å; L116-D118 VanDerWaalsContact C-N 3.27Å; L116-D118 PolarHBondContact O-N 3.37Å; D118-S122 PolarHBondContact O-N 3.39Å; D118-S122 PolarHBondContact O-OG 3.37Å; D118-R306 WeakPolarHBondContact OD1-CD 3.29Å; D118-R310 IonicContact OD1-CZ 2.61Å; D118-R310 IonicContact OD1-NE 2.71Å; D118-R310 PolarHBondContact OD1-NE 3.07Å; D118-R310 IonicContact OD1-NH2 3.77Å; D118-R310 PolarHBondContact OD1-NH2 3.06Å; D118-R310 IonicContact OD2-NH2 3.19Å; D118-R310 PolarHBondContact OD2-NH2 2.96Å
119Q98.3Very high98.6Very high12 Ų1219 Ų196%0.05610%0.099CC..Hα-helixtrans-70.6-44.9178.1-64.9-16353.900111.6L116 A117 I121 S122 R123 N179 L181L116-Q119 PolarHBondContact O-N 3.06Å; L116-Q119 VanDerWaalsContact O-N 3.11Å; A117-Q119 PolarHBondContact O-N 2.94Å; Q119-I121 PolarHBondContact O-N 3.39Å; Q119-S122 CarbonylContact O-C 3.22Å; Q119-S122 WeakPolarHBondContact O-CA 3.42Å; Q119-S122 WeakPolarHBondContact O-CB 3.48Å; Q119-S122 PolarHBondContact O-N 3.16Å; Q119-S122 VanDerWaalsContact O-N 3.1Å; Q119-R123 WeakPolarHBondContact O-CG 3.16Å; Q119-R123 PolarHBondContact O-N 3.1Å; Q119-N179 PolarHBondContact NE2-O 2.7Å; Q119-L181 HydrophobicContact CB-CB 4.07Å; Q119-L181 HydrophobicContact CB-CD2 4.23Å
120M98.8Very high98.6Very high0 Ų019.1 Ų19.10%09%0.094CC..Hα-helixtrans-60.4-45.5-178-68.3173.585.900112L97 L116 A117 S122 R123 I124 F142 L181 L235 V238 L239L97-M120 HydrophobicContact CD1-CE 4.2Å; L97-M120 HydrophobicContact CD1-SD 4.06Å; L116-M120 HydrophobicContact CB-SD 4.25Å; L116-M120 WeakPolarHBondContact O-CB 3.48Å; L116-M120 VanDerWaalsContact O-CG 3.22Å; L116-M120 WeakPolarHBondContact O-CG 3.33Å; L116-M120 PolarHBondContact O-N 2.87Å; A117-M120 PolarHBondContact O-N 2.99Å; M120-S122 VanDerWaalsContact C-N 3.26Å; M120-S122 PolarHBondContact O-N 2.88Å; M120-R123 PolarHBondContact O-N 3.36Å; M120-I124 WeakPolarHBondContact O-CG1 3.47Å; M120-I124 PolarHBondContact O-N 2.91Å; M120-I124 VanDerWaalsContact O-N 3.08Å; M120-F142 HydrophobicContact CB-CE1 4.03Å; M120-F142 HydrophobicContact CB-CZ 4.26Å; M120-F142 HydrophobicContact CE-CD1 4.28Å; M120-F142 HydrophobicContact CE-CD2 3.47Å; M120-F142 VanDerWaalsContact CE-CD2 3.47Å; M120-F142 HydrophobicContact CE-CE1 4.18Å; M120-F142 HydrophobicContact CE-CE2 3.37Å; M120-F142 HydrophobicContact CE-CG 3.93Å; M120-F142 HydrophobicContact CE-CZ 3.74Å; M120-F142 HydrophobicContact CG-CD1 3.97Å; M120-F142 HydrophobicContact CG-CE1 3.84Å; M120-F142 HydrophobicContact CG-CG 4.42Å; M120-F142 HydrophobicContact CG-CZ 4.22Å; M120-L181 HydrophobicContact CB-CD2 4.49Å; M120-L181 HydrophobicContact CG-CD2 3.38Å; M120-L235 HydrophobicContact CB-CD1 3.72Å; M120-L235 HydrophobicContact CB-CD2 4.03Å; M120-L235 HydrophobicContact CE-CD1 3.29Å; M120-L235 HydrophobicContact CG-CD1 4.3Å; M120-L235 HydrophobicContact SD-CD1 3.76Å; M120-V238 HydrophobicContact CE-CG1 3.75Å; M120-L239 HydrophobicContact SD-CD2 4.2Å
121I98.9Very high98.6Very high0 Ų017.3 Ų17.30%09%0.086CC..Hα-helixtrans-57.7-44.1175-66.2166.2000109.9A117 Q119 R123 I124 E125 M232 L235 Y287 Y302 L305 R306 F309A117-I121 VanDerWaalsContact O-CG1 3.25Å; A117-I121 WeakPolarHBondContact O-CG1 3.45Å; A117-I121 PolarHBondContact O-N 3.13Å; Q119-I121 PolarHBondContact O-N 3.39Å; I121-R123 PolarHBondContact O-N 3.37Å; I121-I124 PolarHBondContact O-N 2.82Å; I121-E125 WeakPolarHBondContact O-CB 3.48Å; I121-E125 PolarHBondContact O-N 3.46Å; I121-M232 HydrophobicContact CG1-CE 4.33Å; I121-M232 HydrophobicContact CG2-CE 4.05Å; I121-L235 HydrophobicContact CB-CD2 4.46Å; I121-L235 HydrophobicContact CG1-CD2 3.61Å; I121-Y287 HydrophobicContact CD1-CE2 4.07Å; I121-Y287 HydrophobicContact CG1-CE2 4.4Å; I121-Y302 HydrophobicContact CG2-CD1 4.24Å; I121-L305 HydrophobicContact CD1-CB 4.16Å; I121-R306 HydrophobicContact CB-CG 4Å; I121-R306 HydrophobicContact CD1-CG 4.04Å; I121-R306 HydrophobicContact CG2-CG 3.8Å; I121-F309 HydrophobicContact CD1-CD2 4.11Å; I121-F309 HydrophobicContact CD1-CE2 4.32Å
122S98.7Very high98.6Very high29 Ų2916.4 Ų16.420%0.2038%0.082CC..Hα-helixtrans-66.3-34.1179.8-54.10000113.2D118 Q119 M120 Y126 R306D118-S122 PolarHBondContact O-N 3.39Å; D118-S122 PolarHBondContact O-OG 3.37Å; Q119-S122 CarbonylContact O-C 3.22Å; Q119-S122 WeakPolarHBondContact O-CA 3.42Å; Q119-S122 WeakPolarHBondContact O-CB 3.48Å; Q119-S122 PolarHBondContact O-N 3.16Å; Q119-S122 VanDerWaalsContact O-N 3.1Å; M120-S122 VanDerWaalsContact C-N 3.26Å; M120-S122 PolarHBondContact O-N 2.88Å; S122-Y126 PolarHBondContact O-N 2.9Å; S122-Y126 VanDerWaalsContact O-N 3.1Å; S122-R306 WeakPolarHBondContact OG-CD 3.47Å; S122-R306 PolarHBondContact OG-NH1 2.88Å; S122-R306 VanDerWaalsContact OG-NH1 3.13Å
123R98.8Very high98.7Very high22 Ų2216.4 Ų16.48%0.0838%0.082CC..Hα-helixtrans-66.9-45.4173.9-60.3-53162.3-109.8-7.8111.9V71 Q119 M120 I121 Y126 V127 F142 L181 L183V71-R123 VanDerWaalsContact O-CD 3.27Å; V71-R123 WeakPolarHBondContact O-CD 3.44Å; V71-R123 PolarHBondContact O-NE 3.01Å; V71-R123 PolarHBondContact O-NH1 3.08Å; Q119-R123 WeakPolarHBondContact O-CG 3.16Å; Q119-R123 PolarHBondContact O-N 3.1Å; M120-R123 PolarHBondContact O-N 3.36Å; I121-R123 PolarHBondContact O-N 3.37Å; R123-Y126 PolarHBondContact O-N 2.77Å; R123-V127 WeakPolarHBondContact O-CG2 3.17Å; R123-V127 PolarHBondContact O-N 3.46Å; R123-F142 HydrophobicContact CB-CE1 4.28Å; R123-L181 PolarHBondContact NE-O 2.8Å; R123-L181 PolarHBondContact NH2-O 3.2Å; R123-L183 HydrophobicContact CB-CB 3.89Å; R123-L183 HydrophobicContact CB-CD2 4.09Å; R123-L183 HydrophobicContact CG-CB 4.31Å
124I98.9Very high98.7Very high1 Ų116.4 Ų16.41%0.0058%0.082CC..Hα-helixtrans-65.1-45.6178.8-63.3176.1000110.3M120 I121 Y126 V127 H128 I137 F142 L183 D231 M232 L235M120-I124 WeakPolarHBondContact O-CG1 3.47Å; M120-I124 PolarHBondContact O-N 2.91Å; M120-I124 VanDerWaalsContact O-N 3.08Å; I121-I124 PolarHBondContact O-N 2.82Å; I124-Y126 VanDerWaalsContact C-N 3.3Å; I124-Y126 PolarHBondContact O-N 3.28Å; I124-V127 PolarHBondContact O-N 3.44Å; I124-V127 VanDerWaalsContact O-N 3.17Å; I124-H128 WeakPolarHBondContact CG2-CE1 3.14Å; I124-H128 WeakPolarHBondContact CG2-NE2 3.17Å; I124-H128 PolarHBondContact O-CD2 2.99Å; I124-H128 PolarHBondContact O-N 3.43Å; I124-I137 HydrophobicContact CD1-CD1 3.83Å; I124-I137 HydrophobicContact CD1-CG1 4.11Å; I124-I137 HydrophobicContact CD1-CG2 4.16Å; I124-I137 HydrophobicContact CG1-CD1 3.88Å; I124-F142 HydrophobicContact CD1-CZ 4.47Å; I124-F142 HydrophobicContact CG1-CZ 4.43Å; I124-L183 HydrophobicContact CG1-CD2 4.42Å; I124-D231 HydrophobicContact CG2-CB 3.98Å; I124-M232 HydrophobicContact CB-SD 4.25Å; I124-M232 HydrophobicContact CD1-SD 4.48Å; I124-M232 HydrophobicContact CG2-SD 3.6Å; I124-L235 HydrophobicContact CD1-CB 3.88Å; I124-L235 HydrophobicContact CD1-CD2 3.78Å; I124-L235 HydrophobicContact CD1-CG 4.3Å
125E98.9Very high98.6Very high48 Ų4818.1 Ų18.122%0.2249%0.088CC..Hα-helixtrans-53.2-48.7175178.3175.5-154.400111.2I121 V127 H128 T129 Y302 R306I121-E125 WeakPolarHBondContact O-CB 3.48Å; I121-E125 PolarHBondContact O-N 3.46Å; E125-V127 VanDerWaalsContact C-N 3.33Å; E125-V127 PolarHBondContact O-N 2.98Å; E125-H128 CarbonylContact O-C 3.53Å; E125-H128 WeakPolarHBondContact O-CA 3.29Å; E125-H128 WeakPolarHBondContact O-CB 3.47Å; E125-H128 PolarHBondContact O-N 2.74Å; E125-T129 HydrophobicContact CG-CG2 4.3Å; E125-T129 WeakPolarHBondContact O-CG2 3.36Å; E125-T129 PolarHBondContact O-N 2.73Å; E125-Y302 HydrophobicContact CB-CD1 3.65Å; E125-Y302 HydrophobicContact CB-CD2 4.11Å; E125-Y302 HydrophobicContact CB-CE1 3.97Å; E125-Y302 HydrophobicContact CB-CE2 4.41Å; E125-Y302 HydrophobicContact CB-CG 3.74Å; E125-Y302 HydrophobicContact CG-CD1 4.07Å; E125-Y302 HydrophobicContact CG-CD2 3.55Å; E125-Y302 HydrophobicContact CG-CE1 4.36Å; E125-Y302 HydrophobicContact CG-CE2 3.89Å; E125-Y302 HydrophobicContact CG-CG 3.66Å; E125-Y302 WeakPolarHBondContact OE1-CD2 3.5Å; E125-R306 IonicContact OE1-NH2 2.9Å; E125-R306 IonicContact OE2-CZ 3.48Å; E125-R306 IonicContact OE2-NH1 3.09Å; E125-R306 PolarHBondContact OE2-NH1 2.78Å; E125-R306 IonicContact OE2-NH2 3.79Å; E125-R306 PolarHBondContact OE2-NH2 2.95Å
126Y98.8Very high98.6Very high44 Ų4418.4 Ų18.417%0.1739%0.089CC..Hα-helixtrans-57.1-45.9179.7179.4-101.8000112.2L67 Q68 G70 I73 S122 R123 I124 H128 T129 K130L67-Y126 HydrophobicContact CB-CE1 4.32Å; L67-Y126 HydrophobicContact CD2-CE1 4.22Å; L67-Y126 VanDerWaalsContact O-CE1 3.3Å; L67-Y126 WeakPolarHBondContact O-CE1 3.49Å; L67-Y126 PolarHBondContact O-OH 3.3Å; Q68-Y126 PolarHBondContact O-OH 3.42Å; G70-Y126 VanDerWaalsContact CA-CE1 3.49Å; G70-Y126 VanDerWaalsContact CA-OH 3.27Å; G70-Y126 WeakPolarHBondContact CA-OH 3.41Å; G70-Y126 PolarHBondContact N-OH 3.41Å; G70-Y126 VanDerWaalsContact N-OH 3.13Å; I73-Y126 HydrophobicContact CD1-CD1 4.25Å; I73-Y126 HydrophobicContact CD1-CE1 4.38Å; I73-Y126 HydrophobicContact CG1-CD1 3.97Å; I73-Y126 HydrophobicContact CG1-CE1 3.76Å; S122-Y126 PolarHBondContact O-N 2.9Å; S122-Y126 VanDerWaalsContact O-N 3.1Å; R123-Y126 PolarHBondContact O-N 2.77Å; I124-Y126 VanDerWaalsContact C-N 3.3Å; I124-Y126 PolarHBondContact O-N 3.28Å; Y126-H128 VanDerWaalsContact C-N 3.3Å; Y126-H128 PolarHBondContact O-N 3.21Å; Y126-T129 PolarHBondContact O-N 3.18Å; Y126-T129 PolarHBondContact O-OG1 3.23Å; Y126-K130 HydrophobicContact CE1-CG 4.33Å; Y126-K130 VanDerWaalsContact CZ-CE 3.49Å; Y126-K130 PolarHBondContact O-N 2.71Å; Y126-K130 WeakPolarHBondContact OH-CE 3.37Å
127V98.8Very high98.6Very high0 Ų018.6 Ų18.60%09%0.09CC..Hα-helixtrans-59.4-42.6175.51780000110.9R123 I124 E125 T129 K130 F132 L183 F186R123-V127 WeakPolarHBondContact O-CG2 3.17Å; R123-V127 PolarHBondContact O-N 3.46Å; I124-V127 PolarHBondContact O-N 3.44Å; I124-V127 VanDerWaalsContact O-N 3.17Å; E125-V127 VanDerWaalsContact C-N 3.33Å; E125-V127 PolarHBondContact O-N 2.98Å; V127-T129 PolarHBondContact O-N 3.04Å; V127-K130 PolarHBondContact O-N 2.82Å; V127-F132 CarbonylContact C-O 3.6Å; V127-F132 HydrophobicContact CG1-CB 3.9Å; V127-F132 PolarHBondContact O-N 3.09Å; V127-L183 HydrophobicContact CG2-CD2 4.02Å; V127-F186 HydrophobicContact CG1-CE1 4.34Å; V127-F186 HydrophobicContact CG2-CE1 3.7Å; V127-F186 HydrophobicContact CG2-CZ 4.2Å
128H98.8Very high98.6Very high2 Ų219.7 Ų19.71%0.00910%0.095CC..Hα-helixtrans-65-35.2177.2-66179.5000113.1I124 E125 Y126 K130 N131 F132 Y192 R193 R228 D231 Y302I124-H128 WeakPolarHBondContact CG2-CE1 3.14Å; I124-H128 WeakPolarHBondContact CG2-NE2 3.17Å; I124-H128 PolarHBondContact O-CD2 2.99Å; I124-H128 PolarHBondContact O-N 3.43Å; E125-H128 CarbonylContact O-C 3.53Å; E125-H128 WeakPolarHBondContact O-CA 3.29Å; E125-H128 WeakPolarHBondContact O-CB 3.47Å; E125-H128 PolarHBondContact O-N 2.74Å; Y126-H128 VanDerWaalsContact C-N 3.3Å; Y126-H128 PolarHBondContact O-N 3.21Å; H128-K130 PolarHBondContact O-N 3.22Å; H128-N131 PolarHBondContact O-N 3.33Å; H128-N131 VanDerWaalsContact O-N 3.1Å; H128-F132 WeakPolarHBondContact CA-O 3.17Å; H128-F132 PolarHBondContact CD2-O 3.06Å; H128-Y192 HydrophobicContact CB-CE1 4.47Å; H128-Y192 WeakPolarHBondContact O-CE1 3.25Å; H128-Y192 PolarHBondContact O-OH 3.01Å; H128-R193 PolarHBondContact O-NH2 2.76Å; H128-R228 HydrophobicContact CB-CG 4.24Å; H128-R228 PolarHBondContact CE1-O 3.28Å; H128-D231 IonicContact NE2-OD2 3.09Å; H128-D231 PolarHBondContact NE2-OD2 3.23Å; H128-D231 VanDerWaalsContact NE2-OD2 3.09Å; H128-Y302 WeakPolarHBondContact CB-OH 3.38Å; H128-Y302 AromaticContact ND1-CE1 3.67Å; H128-Y302 AromaticContact ND1-CZ 3.59Å; H128-Y302 PolarHBondContact ND1-OH 3.38Å
129T98.4Very high98.6Very high67 Ų6718.7 Ų18.741%0.4119%0.09SC..Hα-helixtrans-64-31.7175.568.20000111.8E125 Y126 V127 N131E125-T129 HydrophobicContact CG-CG2 4.3Å; E125-T129 WeakPolarHBondContact O-CG2 3.36Å; E125-T129 PolarHBondContact O-N 2.73Å; Y126-T129 PolarHBondContact O-N 3.18Å; Y126-T129 PolarHBondContact O-OG1 3.23Å; V127-T129 PolarHBondContact O-N 3.04Å; T129-N131 PolarHBondContact O-N 3.11Å
130K98.5Very high98.6Very high70 Ų7021.5 Ų21.530%0.30411%0.105SC..THydrogen-bonded Turntrans-81.58.7175.7-60.7-68.9-175.8168.10113.9L67 Y126 V127 H128 F132L67-K130 HydrophobicContact CD2-CB 3.71Å; L67-K130 HydrophobicContact CD2-CG 3.78Å; Y126-K130 HydrophobicContact CE1-CG 4.33Å; Y126-K130 VanDerWaalsContact CZ-CE 3.49Å; Y126-K130 PolarHBondContact O-N 2.71Å; Y126-K130 WeakPolarHBondContact OH-CE 3.37Å; V127-K130 PolarHBondContact O-N 2.82Å; H128-K130 PolarHBondContact O-N 3.22Å; K130-F132 HydrophobicContact CB-CD2 4.5Å; K130-F132 WeakPolarHBondContact O-CD2 3.19Å; K130-F132 WeakPolarHBondContact O-CE2 3.47Å
131N98.6Very high98.5Very high5 Ų521.9 Ų21.93%0.02711%0.107CC..THydrogen-bonded Turntrans74.517.8176.9-43.1-65000115.4H128 T129 K191 Y192 R193 N195 R198H128-N131 PolarHBondContact O-N 3.33Å; H128-N131 VanDerWaalsContact O-N 3.1Å; T129-N131 PolarHBondContact O-N 3.11Å; N131-K191 HydrophobicContact CB-CG 4.3Å; N131-K191 CarbonylContact O-C 3.56Å; N131-K191 VanDerWaalsContact O-CA 3.28Å; N131-K191 WeakPolarHBondContact O-CA 3.39Å; N131-K191 WeakPolarHBondContact O-CG 3.5Å; N131-Y192 VanDerWaalsContact CA-CE1 3.5Å; N131-Y192 WeakPolarHBondContact O-CD1 3.43Å; N131-Y192 PolarHBondContact O-N 3.32Å; N131-R193 HydrophobicContact CB-CG 3.86Å; N131-R193 WeakPolarHBondContact OD1-CG 3.46Å; N131-R193 PolarHBondContact OD1-NE 2.83Å; N131-N195 PolarHBondContact ND2-OD1 2.99Å; N131-R198 PolarHBondContact OD1-NH1 3.2Å
132F98.8Very high98.5Very high18 Ų1821.9 Ų21.98%0.07911%0.107CC..EExtended strand (participates in β ladder)trans-113153.6177.5-69-93.5000111.3L63 I66 V127 H128 K130 K190 K191L63-F132 HydrophobicContact CD1-CD1 3.66Å; L63-F132 HydrophobicContact CD1-CD2 3.54Å; L63-F132 HydrophobicContact CD1-CE1 3.61Å; L63-F132 HydrophobicContact CD1-CE2 3.51Å; L63-F132 HydrophobicContact CD1-CG 3.65Å; L63-F132 HydrophobicContact CD1-CZ 3.55Å; L63-F132 HydrophobicContact CD2-CD1 3.96Å; L63-F132 HydrophobicContact CD2-CE1 4.28Å; L63-F132 HydrophobicContact CD2-CG 4.38Å; I66-F132 HydrophobicContact CD1-CE2 4.22Å; I66-F132 HydrophobicContact CD1-CZ 4.15Å; I66-F132 HydrophobicContact CG2-CE2 4.24Å; V127-F132 CarbonylContact C-O 3.6Å; V127-F132 HydrophobicContact CG1-CB 3.9Å; V127-F132 PolarHBondContact O-N 3.09Å; H128-F132 WeakPolarHBondContact CA-O 3.17Å; H128-F132 PolarHBondContact CD2-O 3.06Å; K130-F132 HydrophobicContact CB-CD2 4.5Å; K130-F132 WeakPolarHBondContact O-CD2 3.19Å; K130-F132 WeakPolarHBondContact O-CE2 3.47Å; F132-K190 CarbonylContact C-O 3.57Å; F132-K190 VanDerWaalsContact CA-O 3.29Å; F132-K190 WeakPolarHBondContact CA-O 3.24Å; F132-K191 HydrophobicContact CD1-CB 4.13Å; F132-K191 HydrophobicContact CE1-CB 3.79Å; F132-K191 HydrophobicContact CE1-CG 4.33Å; F132-K191 HydrophobicContact CZ-CB 4.2Å; F132-K191 HydrophobicContact CZ-CG 4.27Å
133I98.8Very high98.5Very high0 Ų021.7 Ų21.70%010%0.104CC..EExtended strand (participates in β ladder)trans-112.4146.3162.951.2173.1000107.9R135 A189 K190 Y192 Q226 R228 D231I133-R135 HydrophobicContact CB-CG 4.37Å; I133-R135 HydrophobicContact CD1-CG 3.76Å; I133-R135 HydrophobicContact CG1-CG 3.85Å; I133-A189 CarbonylContact O-C 3.6Å; I133-A189 WeakPolarHBondContact O-CA 3.35Å; I133-A189 WeakPolarHBondContact O-CB 3.48Å; I133-K190 HydrophobicContact CG1-CB 4.26Å; I133-K190 WeakPolarHBondContact CG1-O 3.46Å; I133-K190 PolarHBondContact N-O 3.01Å; I133-K190 PolarHBondContact O-N 2.85Å; I133-Y192 HydrophobicContact CG2-CD1 3.83Å; I133-Y192 HydrophobicContact CG2-CG 4.11Å; I133-Q226 HydrophobicContact CD1-CB 4.01Å; I133-Q226 WeakPolarHBondContact CD1-O 3.24Å; I133-R228 HydrophobicContact CG2-CG 4.05Å; I133-D231 WeakPolarHBondContact CA-OD2 3.39Å; I133-D231 WeakPolarHBondContact CB-OD2 3.2Å
134H98.7Very high98.3Very high1 Ų121 Ų211%0.00510%0.101CC..  trans-80.9-44.8-175.1-167-64.8000112.6D136 I137 I184 D185 F186 L188 D231H134-D136 PolarHBondContact ND1-N 2.82Å; H134-D136 PolarHBondContact O-N 3.41Å; H134-I137 HydrophobicContact CB-CD1 3.66Å; H134-I137 HydrophobicContact CB-CG1 4.36Å; H134-I184 PolarHBondContact NE2-O 3.39Å; H134-D185 PolarHBondContact CE1-O 2.83Å; H134-F186 AromaticContact CD2-CD1 3.88Å; H134-F186 AromaticContact CD2-CE1 3.72Å; H134-L188 CarbonylContact O-C 3.44Å; H134-D231 PolarHBondContact N-OD2 3.38Å
135R98.4Very high98Very high41 Ų4121.2 Ų21.216%0.15510%0.104CC..SBendtrans64.911.1179.2-50.9-169-651662.1116.5I133 L188 Q226 D231I133-R135 HydrophobicContact CB-CG 4.37Å; I133-R135 HydrophobicContact CD1-CG 3.76Å; I133-R135 HydrophobicContact CG1-CG 3.85Å; R135-L188 PolarHBondContact NE-O 3.49Å; R135-L188 PolarHBondContact NH2-O 3.19Å; R135-Q226 HydrophobicContact CG-CB 4.26Å; R135-D231 WeakPolarHBondContact CA-OD1 3.24Å; R135-D231 PolarHBondContact N-OD1 3.45Å
136D97.8Very high97.3Very high6 Ų621.5 Ų21.53%0.03211%0.107CC..  trans-151.550.7175.7-162.336.5000111.8H134 K138 N141 L188 G211 T212H134-D136 PolarHBondContact ND1-N 2.82Å; H134-D136 PolarHBondContact O-N 3.41Å; D136-K138 PolarHBondContact O-N 2.77Å; D136-K138 IonicContact OD1-NZ 3.02Å; D136-K138 WeakPolarHBondContact OD2-CE 3.31Å; D136-K138 IonicContact OD2-NZ 2.97Å; D136-K138 PolarHBondContact OD2-NZ 2.79Å; D136-N141 PolarHBondContact O-ND2 2.7Å; D136-N141 PolarHBondContact OD2-ND2 3.45Å; D136-L188 HydrophobicContact CB-CD1 4.01Å; D136-G211 WeakPolarHBondContact OD1-CA 3.17Å; D136-T212 WeakPolarHBondContact OD1-CB 3.4Å; D136-T212 PolarHBondContact OD1-N 2.71Å; D136-T212 PolarHBondContact OD1-OG1 2.88Å
137I98.8Very high95.8Very high3 Ų320 Ų202%0.01510%0.104CC..  trans-69.5113.2176.3-59.7-57.3000109.2I124 H134 F142 L183 Y215 D231 L235 V238I124-I137 HydrophobicContact CD1-CD1 3.83Å; I124-I137 HydrophobicContact CD1-CG1 4.11Å; I124-I137 HydrophobicContact CD1-CG2 4.16Å; I124-I137 HydrophobicContact CG1-CD1 3.88Å; H134-I137 HydrophobicContact CB-CD1 3.66Å; H134-I137 HydrophobicContact CB-CG1 4.36Å; I137-F142 HydrophobicContact CD1-CZ 4.46Å; I137-F142 HydrophobicContact CG2-CE2 3.99Å; I137-F142 HydrophobicContact CG2-CZ 4.37Å; I137-L183 HydrophobicContact CD1-CD1 4.47Å; I137-Y215 WeakPolarHBondContact O-CB 3.34Å; I137-D231 HydrophobicContact CG1-CB 3.99Å; I137-L235 HydrophobicContact CG2-CB 4.11Å; I137-V238 HydrophobicContact CG2-CG2 4.42Å
138K98.5Very high93.4Very high24 Ų2431.9 Ų31.910%0.10415%0.149CC..  trans-156.1157.2-178.969.1-167.5-172.6-156.20111.1D136 D140 N141 F142 T212 Y215D136-K138 PolarHBondContact O-N 2.77Å; D136-K138 IonicContact OD1-NZ 3.02Å; D136-K138 WeakPolarHBondContact OD2-CE 3.31Å; D136-K138 IonicContact OD2-NZ 2.97Å; D136-K138 PolarHBondContact OD2-NZ 2.79Å; K138-D140 HydrophobicContact CD-CB 4.41Å; K138-D140 HydrophobicContact CG-CB 4.15Å; K138-D140 PolarHBondContact O-N 2.88Å; K138-N141 WeakPolarHBondContact CE-ND2 3.43Å; K138-N141 WeakPolarHBondContact CE-OD1 3.47Å; K138-N141 HydrophobicContact CG-CB 4.15Å; K138-N141 PolarHBondContact O-N 3.21Å; K138-F142 WeakPolarHBondContact O-CD2 3.41Å; K138-T212 VanDerWaalsContact CD-OG1 3.31Å; K138-T212 WeakPolarHBondContact CD-OG1 3.45Å; K138-Y215 HydrophobicContact CB-CD2 3.43Å; K138-Y215 VanDerWaalsContact CB-CD2 3.43Å; K138-Y215 HydrophobicContact CB-CE2 3.59Å; K138-Y215 HydrophobicContact CB-CG 4.38Å
139P98.6Very high90.5Very high0 Ų040 Ų400%019%0.187CC..G310 helixtrans-53.3-36.9-179.2-27.536.5000114.3L97 E98 N141 F142 Y215 V238 Y241 F242L97-P139 HydrophobicContact CB-CB 4.25Å; L97-P139 PolarHBondContact N-O 2.66Å; E98-P139 HydrophobicContact CB-CB 3.97Å; P139-N141 PolarHBondContact O-N 3.42Å; P139-F142 PolarHBondContact O-N 2.99Å; P139-Y215 VanDerWaalsContact CD-CZ 3.42Å; P139-V238 HydrophobicContact CG-CG1 3.94Å; P139-Y241 HydrophobicContact CG-CD1 4.01Å; P139-Y241 HydrophobicContact CG-CE1 3.94Å; P139-F242 HydrophobicContact CB-CE1 3.99Å; P139-F242 HydrophobicContact CB-CZ 3.81Å; P139-F242 HydrophobicContact CG-CE1 3.9Å; P139-F242 HydrophobicContact CG-CZ 3.8Å
140D97.2Very high87.5Confident71 Ų7139.2 Ų39.238%0.3818%0.184SC..G310 helixtrans-63.2-25.8-179.3-47.4-106.3000113.5K138 L143K138-D140 HydrophobicContact CD-CB 4.41Å; K138-D140 HydrophobicContact CG-CB 4.15Å; K138-D140 PolarHBondContact O-N 2.88Å; D140-L143 WeakPolarHBondContact O-CD1 3.44Å
141N97.9Very high84.5Confident7 Ų740.6 Ų40.64%0.03719%0.194CC..G310 helixtrans-92.41.1-178.2-72.6-9.1000112.9D136 K138 P139 L183 I184D136-N141 PolarHBondContact O-ND2 2.7Å; D136-N141 PolarHBondContact OD2-ND2 3.45Å; K138-N141 WeakPolarHBondContact CE-ND2 3.43Å; K138-N141 WeakPolarHBondContact CE-OD1 3.47Å; K138-N141 HydrophobicContact CG-CB 4.15Å; K138-N141 PolarHBondContact O-N 3.21Å; P139-N141 PolarHBondContact O-N 3.42Å; N141-L183 HydrophobicContact CB-CD1 4.37Å; N141-L183 WeakPolarHBondContact O-CA 3.2Å; N141-I184 WeakPolarHBondContact O-CG1 3.49Å; N141-I184 PolarHBondContact O-N 2.83Å
142F98.3Very high81.6Confident0 Ų048.2 Ų48.20%023%0.227CC..EExtended strand (participates in β ladder)trans-110.6116.6172.2-70.6-85.5000110.1S96 L97 M120 R123 I124 I137 K138 P139 L181 F182 L183S96-F142 CarbonylContact C-O 3.53Å; S96-F142 VanDerWaalsContact CA-O 3.3Å; S96-F142 WeakPolarHBondContact CA-O 3.19Å; L97-F142 HydrophobicContact CD1-CB 3.6Å; L97-F142 HydrophobicContact CD1-CG 4.29Å; L97-F142 HydrophobicContact CG-CB 3.78Å; L97-F142 PolarHBondContact N-O 3.08Å; M120-F142 HydrophobicContact CB-CE1 4.03Å; M120-F142 HydrophobicContact CB-CZ 4.26Å; M120-F142 HydrophobicContact CE-CD1 4.28Å; M120-F142 HydrophobicContact CE-CD2 3.47Å; M120-F142 VanDerWaalsContact CE-CD2 3.47Å; M120-F142 HydrophobicContact CE-CE1 4.18Å; M120-F142 HydrophobicContact CE-CE2 3.37Å; M120-F142 HydrophobicContact CE-CG 3.93Å; M120-F142 HydrophobicContact CE-CZ 3.74Å; M120-F142 HydrophobicContact CG-CD1 3.97Å; M120-F142 HydrophobicContact CG-CE1 3.84Å; M120-F142 HydrophobicContact CG-CG 4.42Å; M120-F142 HydrophobicContact CG-CZ 4.22Å; R123-F142 HydrophobicContact CB-CE1 4.28Å; I124-F142 HydrophobicContact CD1-CZ 4.47Å; I124-F142 HydrophobicContact CG1-CZ 4.43Å; I137-F142 HydrophobicContact CD1-CZ 4.46Å; I137-F142 HydrophobicContact CG2-CE2 3.99Å; I137-F142 HydrophobicContact CG2-CZ 4.37Å; K138-F142 WeakPolarHBondContact O-CD2 3.41Å; P139-F142 PolarHBondContact O-N 2.99Å; F142-L181 HydrophobicContact CB-CD1 4.08Å; F142-L181 HydrophobicContact CB-CD2 4.21Å; F142-L181 HydrophobicContact CB-CG 4.22Å; F142-L181 HydrophobicContact CD1-CD2 3.64Å; F142-L181 HydrophobicContact CD1-CG 4.07Å; F142-L181 HydrophobicContact CE1-CD2 4.42Å; F142-L181 HydrophobicContact CG-CD2 4.24Å; F142-F182 CarbonylContact C-O 3.44Å; F142-F182 VanDerWaalsContact CA-O 3.24Å; F142-F182 WeakPolarHBondContact CA-O 3.45Å; F142-L183 HydrophobicContact CD1-CB 4.37Å; F142-L183 HydrophobicContact CD1-CD1 4.19Å; F142-L183 HydrophobicContact CD2-CD1 4.49Å; F142-L183 HydrophobicContact CE1-CB 4.16Å; F142-L183 HydrophobicContact CE1-CD1 3.82Å; F142-L183 HydrophobicContact CE1-CD2 4.46Å; F142-L183 HydrophobicContact CE1-CG 4.37Å; F142-L183 HydrophobicContact CE2-CD1 4.12Å; F142-L183 HydrophobicContact CZ-CD1 3.78Å
143L97.4Very high78.7Confident25 Ų2552 Ų5213%0.13126%0.255CS..EExtended strand (participates in β ladder)trans-119.7143.3-176.3-80.865.6000110.6L93 G94 D140 L181 F182 I184L93-L143 HydrophobicContact CB-CB 4.09Å; L93-L143 HydrophobicContact CB-CD2 3.76Å; L93-L143 HydrophobicContact CD1-CB 3.96Å; L93-L143 HydrophobicContact CD1-CD2 4.2Å; G94-L143 WeakPolarHBondContact O-CD2 3.38Å; D140-L143 WeakPolarHBondContact O-CD1 3.44Å; L143-L181 CarbonylContact O-C 3.56Å; L143-F182 PolarHBondContact N-O 3.04Å; L143-F182 PolarHBondContact O-N 3.12Å; L143-I184 HydrophobicContact CD1-CD1 3.47Å; L143-I184 VanDerWaalsContact CD1-CD1 3.47Å; L143-I184 HydrophobicContact CD1-CG1 3.84Å; L143-I184 HydrophobicContact CD2-CD1 3.85Å; L143-I184 HydrophobicContact CG-CD1 4.29Å
144M95.9Very high75.8Confident7 Ų759.4 Ų59.43%0.03429%0.294CS..EExtended strand (participates in β ladder)trans-77.3146.3169.5-62.7-58.9-61.700110G94 P95 L100 L178 L181 F324 W326G94-M144 WeakPolarHBondContact CA-O 3.34Å; G94-M144 PolarHBondContact N-O 2.83Å; P95-M144 PolarHBondContact O-N 3.11Å; P95-M144 VanDerWaalsContact O-N 3.12Å; L100-M144 HydrophobicContact CD1-CB 4.5Å; L100-M144 HydrophobicContact CD1-CG 3.5Å; M144-L178 VanDerWaalsContact CE-O 3.25Å; M144-L178 WeakPolarHBondContact CE-O 3.17Å; M144-L181 HydrophobicContact CG-CD1 4.49Å; M144-L181 HydrophobicContact SD-CB 4.44Å; M144-L181 HydrophobicContact SD-CD1 3.49Å; M144-L181 WeakPolarHBondContact SD-CD1 3.48Å; M144-F324 HydrophobicContact CE-CE2 4.07Å; M144-F324 HydrophobicContact CE-CZ 4.47Å; M144-W326 HydrophobicContact CE-CZ2 4.4Å; M144-W326 HydrophobicContact CG-CZ2 4.27Å; M144-W326 HydrophobicContact SD-CZ2 4.12Å
145G91.8Very high72.8Confident7 Ų766.2 Ų66.27%0.07233%0.325CS..PPolyproline II helixtrans-68.3162171.200000112.7G177 Q180G145-G177 CarbonylContact C-O 3.6Å; G145-G177 WeakPolarHBondContact CA-O 3.5Å; G145-Q180 PolarHBondContact N-O 3.43Å
146I85Confident69.7Low53 Ų5369.3 Ų69.327%0.27235%0.354SS..PPolyproline II helixtrans-94.2134.5175.6-47.7-177.7000108.5L92 L93 C150L92-I146 HydrophobicContact CB-CD1 4.16Å; L92-I146 HydrophobicContact CD2-CD1 3.8Å; L92-I146 HydrophobicContact CG-CD1 3.64Å; L92-I146 WeakPolarHBondContact O-CD1 3.36Å; L93-I146 VanDerWaalsContact C-CD1 3.48Å; L93-I146 WeakPolarHBondContact O-CD1 3.32Å; I146-C150 HydrophobicContact CG2-CB 3.86Å
147G66.8Low66.9Low12 Ų1275.2 Ų75.212%0.12439%0.392CS..PPolyproline II helixtrans-82.3158.4166.100000111.3H149 C150 L178G147-H149 PolarHBondContact O-N 2.88Å; G147-C150 PolarHBondContact O-N 2.7Å; G147-L178 VanDerWaalsContact CA-CD2 3.45Å
148R48Very low63.9Low250 Ų25081.6 Ų81.694%0.94343%0.431SS*.THydrogen-bonded Turntrans-598179.1-72.2-173.7179173.81.3115.8
149H37.6Very low60.9Low173 Ų17383.5 Ų83.580%0.80146%0.458SS*.THydrogen-bonded Turntrans-142.824.2179.6-77.4-66.3000116.7G147G147-H149 PolarHBondContact O-N 2.88Å
150C37.2Very low57.8Low51 Ų5193.4 Ų93.435%0.34550%0.501SS..  trans-92.63.5-176.7-56.20000116.6I146 G147 K152 C153 L178I146-C150 HydrophobicContact CG2-CB 3.86Å; G147-C150 PolarHBondContact O-N 2.7Å; C150-K152 PolarHBondContact O-N 3.42Å; C150-C153 PolarHBondContact O-N 3.23Å; C150-L178 WeakPolarHBondContact SG-CD2 3.11Å
151N35.5Very low54.7Low98 Ų98101.6 Ų101.652%0.52453%0.526SS..THydrogen-bonded Turntrans-7222.1-172.8-75.18.5000115.6E42E42-N151 PolarHBondContact OE1-ND2 3.38Å; E42-N151 VanDerWaalsContact OE1-ND2 3.13Å; E42-N151 PolarHBondContact OE2-ND2 3.19Å
152K37.5Very low51.5Low165 Ų165110.7 Ų110.772%0.71757%0.566SS**THydrogen-bonded Turntrans-116.5-0174.3-75-173.5180172.70115.3C150C150-K152 PolarHBondContact O-N 3.42Å
153C37.6Very low48.2Very low99 Ų99122 Ų12267%0.66961%0.608SS**SBendtrans-105.95.9-172.1-65.10000115.7C150C150-C153 PolarHBondContact O-N 3.23Å
154L37.5Very low44.9Very low154 Ų154126.4 Ų126.481%0.80664%0.641SS**SBendtrans-109.414.5173.7-82.6165.1000113.5
155E35.7Very low41.8Very low144 Ų144134 Ų13467%0.67368%0.681SS**  trans-110.5114.8174.6-65.8-170.2160.200110.3
156S33.6Very low38.7Very low107 Ų107138.3 Ų138.375%0.74872%0.716SS**  trans-52.3148.6157.6-62.50000109.9V158S156-V158 PolarHBondContact O-N 3.38Å
157P39.1Very low36.1Very low130 Ų130142 Ų14284%0.84474%0.74SS**SBendtrans-76.593-16930.4-32.9000111.2
158V34.3Very low34.2Very low137 Ų137146.4 Ų146.483%0.8377%0.77SS**  trans-137.1116.2153.4-175.10000107.4S156S156-V158 PolarHBondContact O-N 3.38Å
159G37Very low33.4Very low64 Ų64140.2 Ų140.266%0.6677%0.765SS**  trans-68.5162.2-154.700000117.3
160K33.1Very low33.1Very low208 Ų208136.8 Ų136.890%0.90476%0.76SS**  -174.4129.6126.5-96156.4-169.6-178.80112
161R32.4Very low33Very low242 Ų242144 Ų14491%0.91379%0.789SS**  trans44.7113.9154.4-72.8178.8177.8165.1-1120.7
162K30.8Very low32.8Very low199 Ų199145 Ų14587%0.86579%0.794SS**  trans-57.2127.5160.1-72.2173.6174.2175.90111.1
163R29.4Very low32.7Very low237 Ų237143.2 Ų143.289%0.89480%0.8SS**  trans-108128.4149.7-80.7-174.1179.8-179.90.2108.5
164S27.7Very low32.4Very low117 Ų117142.4 Ų142.482%0.81880%0.795SS**  trans-78.6126.9172.9173.60000108.5
165L29.9Very low32.6Very low166 Ų166142.7 Ų142.787%0.86979%0.79SS**  trans-136.5130.3162.5-88163.8000107.8
166A26.9Very low33.2Very low99 Ų99139 Ų13982%0.81878%0.78SS**  trans-63.2142.7-169.800000112.9
167V30.1Very low34.4Very low129 Ų129135.1 Ų135.178%0.78276%0.757SS**  trans-80.6114.5176.3175.80000108.5
168S28.3Very low35.8Very low105 Ų105132.5 Ų132.573%0.73474%0.736SS**  trans-83.5110165.862.20000109.2S170S168-S170 PolarHBondContact O-N 3.46Å; S168-S170 VanDerWaalsContact O-N 3.14Å
169S30.8Very low38.2Very low120 Ų120128 Ų12884%0.83971%0.707SS**  trans-68.298.3168.7500000110.1
170S29.8Very low40.9Very low102 Ų102126.4 Ų126.471%0.71368%0.682SS**  trans-124.7110.6159.147.80000108S168 D172S168-S170 PolarHBondContact O-N 3.46Å; S168-S170 VanDerWaalsContact O-N 3.14Å; S170-D172 PolarHBondContact O-N 3.11Å
171Q35.1Very low43.9Very low203 Ų203116.5 Ų116.595%0.94964%0.639SS**  trans-78.496.3171.4-73.6177.1-12.600107.5
172D33.2Very low47Very low117 Ų117105.9 Ų105.963%0.62660%0.6SS**  trans-111119.9160.5-165.5-32000107.2S170 S174S170-D172 PolarHBondContact O-N 3.11Å; D172-S174 VanDerWaalsContact CG-OG 3.28Å; D172-S174 PolarHBondContact O-N 3.42Å; D172-S174 WeakPolarHBondContact OD1-CB 3.36Å; D172-S174 PolarHBondContact OD1-N 3.11Å; D172-S174 VanDerWaalsContact OD1-N 3.11Å; D172-S174 PolarHBondContact OD1-OG 3.27Å
173P34.1Very low50.3Low129 Ų12996.5 Ų96.584%0.83856%0.559SS**  trans-71.2-2-179.2-12.728000113.9F175P173-F175 PolarHBondContact O-N 3.32Å
174S32Very low53.5Low81 Ų8186.7 Ų86.757%0.56652%0.524SS*.SBendtrans-83.995-178.361.70000113.2D172D172-S174 VanDerWaalsContact CG-OG 3.28Å; D172-S174 PolarHBondContact O-N 3.42Å; D172-S174 WeakPolarHBondContact OD1-CB 3.36Å; D172-S174 PolarHBondContact OD1-N 3.11Å; D172-S174 VanDerWaalsContact OD1-N 3.11Å; D172-S174 PolarHBondContact OD1-OG 3.27Å
175F41.9Very low56.7Low161 Ų16181.6 Ų81.671%0.70649%0.487SS*.  trans70.691.6153.1-91.1-100.3000119.2P173 G177P173-F175 PolarHBondContact O-N 3.32Å; F175-G177 PolarHBondContact O-N 3.26Å
176S48.5Very low59.8Low65 Ų6573.7 Ų73.746%0.45545%0.446SS..  trans-63.791.2157.8600000111.9L178 N179S176-L178 PolarHBondContact O-N 2.98Å; S176-N179 PolarHBondContact O-N 3.36Å; S176-N179 VanDerWaalsContact O-N 3.12Å
177G58Low63Low26 Ų2669.3 Ų69.327%0.26841%0.41SS..G310 helixtrans-51.4-20.2173.600000114.7G145 F175 N179 Q180G145-G177 CarbonylContact C-O 3.6Å; G145-G177 WeakPolarHBondContact CA-O 3.5Å; F175-G177 PolarHBondContact O-N 3.26Å; G177-N179 VanDerWaalsContact C-N 3.32Å; G177-N179 PolarHBondContact O-N 2.84Å; G177-Q180 PolarHBondContact O-N 2.82Å
178L68.8Low66.1Low76 Ų7664.5 Ų64.540%0.39838%0.38SS..G310 helixtrans-53.5-39.4173.5-78.5161.7000115.5M144 G147 C150 S176M144-L178 VanDerWaalsContact CE-O 3.25Å; M144-L178 WeakPolarHBondContact CE-O 3.17Å; G147-L178 VanDerWaalsContact CA-CD2 3.45Å; C150-L178 WeakPolarHBondContact SG-CD2 3.11Å; S176-L178 PolarHBondContact O-N 2.98Å
179N85.4Confident69.5Low42 Ų4259.7 Ų59.723%0.22535%0.346CS..G310 helixtrans-100.40.8-170.6-63.5-27.4000112.2Q119 S176 G177 Y322Q119-N179 PolarHBondContact NE2-O 2.7Å; S176-N179 PolarHBondContact O-N 3.36Å; S176-N179 VanDerWaalsContact O-N 3.12Å; G177-N179 VanDerWaalsContact C-N 3.32Å; G177-N179 PolarHBondContact O-N 2.84Å; N179-Y322 HydrophobicContact CB-CD1 3.66Å; N179-Y322 HydrophobicContact CB-CE1 4.28Å; N179-Y322 HydrophobicContact CB-CG 3.84Å; N179-Y322 WeakPolarHBondContact ND2-CB 3.26Å
180Q92.7Very high72.6Confident30 Ų3056.5 Ų56.514%0.1432%0.317CS..  trans-89.7125-179.6-175.8173.4-36.200109.7V71 G145 G177 F182V71-Q180 HydrophobicContact CG1-CG 4.38Å; G145-Q180 PolarHBondContact N-O 3.43Å; G177-Q180 PolarHBondContact O-N 2.82Å; Q180-F182 HydrophobicContact CB-CE2 3.99Å; Q180-F182 HydrophobicContact CG-CD2 4.35Å; Q180-F182 HydrophobicContact CG-CE2 3.8Å; Q180-F182 HydrophobicContact CG-CZ 4.21Å; Q180-F182 WeakPolarHBondContact O-CD2 3.39Å
181L96.4Very high75.9Confident0 Ų055.6 Ų55.60%030%0.3CS..EExtended strand (participates in β ladder)trans-81.8139.4170.9-163.370.2000110.1G72 L97 L116 Q119 M120 R123 F142 L143 M144G72-L181 WeakPolarHBondContact CA-O 3.28Å; L97-L181 HydrophobicContact CD1-CD1 4.1Å; L97-L181 HydrophobicContact CD1-CD2 4.29Å; L97-L181 HydrophobicContact CD2-CD1 3.77Å; L97-L181 HydrophobicContact CG-CD1 3.97Å; L116-L181 HydrophobicContact CD2-CD1 4.22Å; L116-L181 HydrophobicContact CD2-CD2 4.27Å; Q119-L181 HydrophobicContact CB-CB 4.07Å; Q119-L181 HydrophobicContact CB-CD2 4.23Å; M120-L181 HydrophobicContact CB-CD2 4.49Å; M120-L181 HydrophobicContact CG-CD2 3.38Å; R123-L181 PolarHBondContact NE-O 2.8Å; R123-L181 PolarHBondContact NH2-O 3.2Å; F142-L181 HydrophobicContact CB-CD1 4.08Å; F142-L181 HydrophobicContact CB-CD2 4.21Å; F142-L181 HydrophobicContact CB-CG 4.22Å; F142-L181 HydrophobicContact CD1-CD2 3.64Å; F142-L181 HydrophobicContact CD1-CG 4.07Å; F142-L181 HydrophobicContact CE1-CD2 4.42Å; F142-L181 HydrophobicContact CG-CD2 4.24Å; L143-L181 CarbonylContact O-C 3.56Å; M144-L181 HydrophobicContact CG-CD1 4.49Å; M144-L181 HydrophobicContact SD-CB 4.44Å; M144-L181 HydrophobicContact SD-CD1 3.49Å; M144-L181 WeakPolarHBondContact SD-CD1 3.48Å
182F98.2Very high78.9Confident20 Ų2046 Ų469%0.08826%0.256CS..EExtended strand (participates in β ladder)trans-115.7146.1176.4-70.7-105.3000110G72 P74 L93 F142 L143 Q180G72-F182 CarbonylContact O-C 3.51Å; G72-F182 WeakPolarHBondContact O-CA 3.14Å; G72-F182 WeakPolarHBondContact O-CD1 3.38Å; P74-F182 HydrophobicContact CG-CD1 4.3Å; L93-F182 HydrophobicContact CD1-CB 3.57Å; L93-F182 HydrophobicContact CD1-CD1 4.17Å; L93-F182 HydrophobicContact CD1-CD2 4.41Å; L93-F182 HydrophobicContact CD1-CG 3.81Å; L93-F182 HydrophobicContact CD2-CD1 4Å; L93-F182 HydrophobicContact CD2-CD2 3.91Å; L93-F182 HydrophobicContact CD2-CE1 4.15Å; L93-F182 HydrophobicContact CD2-CE2 4.07Å; L93-F182 HydrophobicContact CD2-CG 3.89Å; L93-F182 HydrophobicContact CD2-CZ 4.18Å; F142-F182 CarbonylContact C-O 3.44Å; F142-F182 VanDerWaalsContact CA-O 3.24Å; F142-F182 WeakPolarHBondContact CA-O 3.45Å; L143-F182 PolarHBondContact N-O 3.04Å; L143-F182 PolarHBondContact O-N 3.12Å; Q180-F182 HydrophobicContact CB-CE2 3.99Å; Q180-F182 HydrophobicContact CG-CD2 4.35Å; Q180-F182 HydrophobicContact CG-CE2 3.8Å; Q180-F182 HydrophobicContact CG-CZ 4.21Å; Q180-F182 WeakPolarHBondContact O-CD2 3.39Å
183L98.4Very high82Confident1 Ų142 Ų421%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-108.7129.6170.4176.858.7000108.8G72 R123 I124 V127 I137 N141 F142 F186G72-L183 PolarHBondContact O-N 3.27Å; R123-L183 HydrophobicContact CB-CB 3.89Å; R123-L183 HydrophobicContact CB-CD2 4.09Å; R123-L183 HydrophobicContact CG-CB 4.31Å; I124-L183 HydrophobicContact CG1-CD2 4.42Å; V127-L183 HydrophobicContact CG2-CD2 4.02Å; I137-L183 HydrophobicContact CD1-CD1 4.47Å; N141-L183 HydrophobicContact CB-CD1 4.37Å; N141-L183 WeakPolarHBondContact O-CA 3.2Å; F142-L183 HydrophobicContact CD1-CB 4.37Å; F142-L183 HydrophobicContact CD1-CD1 4.19Å; F142-L183 HydrophobicContact CD2-CD1 4.49Å; F142-L183 HydrophobicContact CE1-CB 4.16Å; F142-L183 HydrophobicContact CE1-CD1 3.82Å; F142-L183 HydrophobicContact CE1-CD2 4.46Å; F142-L183 HydrophobicContact CE1-CG 4.37Å; F142-L183 HydrophobicContact CE2-CD1 4.12Å; F142-L183 HydrophobicContact CZ-CD1 3.78Å; L183-F186 HydrophobicContact CG-CE1 4.48Å; L183-F186 HydrophobicContact CG-CZ 4.26Å; L183-F186 WeakPolarHBondContact O-CE2 3.3Å
184I96.5Very high85Confident32 Ų3238.7 Ų38.716%0.16421%0.207CC..  trans-133.7178.1-174.268160.9000112.4P74 L93 H134 N141 L143P74-I184 HydrophobicContact CG-CG2 3.64Å; L93-I184 HydrophobicContact CD1-CG2 3.83Å; H134-I184 PolarHBondContact NE2-O 3.39Å; N141-I184 WeakPolarHBondContact O-CG1 3.49Å; N141-I184 PolarHBondContact O-N 2.83Å; L143-I184 HydrophobicContact CD1-CD1 3.47Å; L143-I184 VanDerWaalsContact CD1-CD1 3.47Å; L143-I184 HydrophobicContact CD1-CG1 3.84Å; L143-I184 HydrophobicContact CD2-CD1 3.85Å; L143-I184 HydrophobicContact CG-CD1 4.29Å
185D95.1Very high88Confident10 Ų1039.9 Ų39.95%0.05321%0.207CC..  trans65.967.2178.9-158.618.8000113.4S27 K46 Y64 H134 G187S27-D185 PolarHBondContact OG-OD2 2.86Å; K46-D185 IonicContact NZ-OD1 3.79Å; K46-D185 PolarHBondContact NZ-OD1 2.87Å; Y64-D185 PolarHBondContact OH-N 2.85Å; H134-D185 PolarHBondContact CE1-O 2.83Å; D185-G187 PolarHBondContact O-N 3.33Å
186F96.3Very high90.5Very high0 Ų042.8 Ų42.80%021%0.213CC..G310 helixtrans-84.914.1178.9-61.1-80.5000113.9E60 L63 Y64 L67 I73 V127 H134 L183 L188 A189E60-F186 HydrophobicContact CG-CB 4.25Å; E60-F186 PolarHBondContact OE1-N 3.35Å; L63-F186 HydrophobicContact CD2-CB 3.71Å; L63-F186 HydrophobicContact CD2-CD1 4.37Å; L63-F186 HydrophobicContact CD2-CG 4.3Å; L63-F186 HydrophobicContact CG-CB 4.24Å; Y64-F186 AromaticContact CD1-CD2 3.98Å; Y64-F186 HydrophobicContact CD1-CD2 3.98Å; Y64-F186 HydrophobicContact CD1-CE2 4Å; Y64-F186 HydrophobicContact CD2-CD2 4.5Å; Y64-F186 AromaticContact CE1-CD2 3.47Å; Y64-F186 HydrophobicContact CE1-CD2 3.47Å; Y64-F186 VanDerWaalsContact CE1-CD2 3.47Å; Y64-F186 AromaticContact CE1-CE2 3.42Å; Y64-F186 HydrophobicContact CE1-CE2 3.42Å; Y64-F186 VanDerWaalsContact CE1-CE2 3.42Å; Y64-F186 HydrophobicContact CE2-CD2 4.08Å; Y64-F186 HydrophobicContact CG-CD2 4.45Å; Y64-F186 AromaticContact CZ-CD2 3.52Å; Y64-F186 AromaticContact CZ-CE2 3.89Å; L67-F186 HydrophobicContact CD1-CD1 3.8Å; L67-F186 HydrophobicContact CD1-CD2 4.04Å; L67-F186 HydrophobicContact CD1-CE1 3.5Å; L67-F186 HydrophobicContact CD1-CE2 3.77Å; L67-F186 HydrophobicContact CD1-CG 4.07Å; L67-F186 HydrophobicContact CD1-CZ 3.5Å; L67-F186 VanDerWaalsContact CD1-CZ 3.5Å; I73-F186 HydrophobicContact CD1-CE2 4.35Å; I73-F186 HydrophobicContact CD1-CZ 3.87Å; V127-F186 HydrophobicContact CG1-CE1 4.34Å; V127-F186 HydrophobicContact CG2-CE1 3.7Å; V127-F186 HydrophobicContact CG2-CZ 4.2Å; H134-F186 AromaticContact CD2-CD1 3.88Å; H134-F186 AromaticContact CD2-CE1 3.72Å; L183-F186 HydrophobicContact CG-CE1 4.48Å; L183-F186 HydrophobicContact CG-CZ 4.26Å; L183-F186 WeakPolarHBondContact O-CE2 3.3Å; F186-L188 PolarHBondContact O-N 3Å; F186-A189 HydrophobicContact CB-CB 4.11Å; F186-A189 HydrophobicContact CD1-CB 4.3Å; F186-A189 VanDerWaalsContact O-CB 3.29Å; F186-A189 WeakPolarHBondContact O-CB 3.47Å; F186-A189 PolarHBondContact O-N 3.06Å
187G94.1Very high92.8Very high6 Ų643.4 Ų43.46%0.06222%0.215CC..G310 helixtrans-59.6-36-179.900000112.9Q56 D185Q56-G187 PolarHBondContact OE1-O 3.42Å; D185-G187 PolarHBondContact O-N 3.33Å
188L95.7Very high94.7Very high29 Ų2947.8 Ų47.815%0.15222%0.223CC..G310 helixtrans-90.72176-63.6-178.3000113.9F28 H134 R135 D136 F186 T210F28-L188 HydrophobicContact CE1-CD2 4.41Å; F28-L188 HydrophobicContact CE2-CD2 4.46Å; F28-L188 HydrophobicContact CE2-CG 4.26Å; F28-L188 HydrophobicContact CZ-CD1 4.45Å; F28-L188 HydrophobicContact CZ-CD2 3.63Å; F28-L188 HydrophobicContact CZ-CG 3.77Å; H134-L188 CarbonylContact O-C 3.44Å; R135-L188 PolarHBondContact NE-O 3.49Å; R135-L188 PolarHBondContact NH2-O 3.19Å; D136-L188 HydrophobicContact CB-CD1 4.01Å; F186-L188 PolarHBondContact O-N 3Å; L188-T210 HydrophobicContact CB-CG2 4.35Å; L188-T210 HydrophobicContact CD1-CG2 4.08Å; L188-T210 HydrophobicContact CD2-CG2 3.88Å; L188-T210 HydrophobicContact CG-CG2 4.33Å
189A97.6Very high96.1Very high3 Ų351.1 Ų51.13%0.02524%0.237CC..  trans-64.9159.5-179.500000111.9Y59 L63 I133 F186Y59-A189 HydrophobicContact CE1-CB 4.47Å; Y59-A189 WeakPolarHBondContact CE1-O 3.42Å; Y59-A189 PolarHBondContact OH-O 3.25Å; L63-A189 HydrophobicContact CD2-CB 3.34Å; I133-A189 CarbonylContact O-C 3.6Å; I133-A189 WeakPolarHBondContact O-CA 3.35Å; I133-A189 WeakPolarHBondContact O-CB 3.48Å; F186-A189 HydrophobicContact CB-CB 4.11Å; F186-A189 HydrophobicContact CD1-CB 4.3Å; F186-A189 VanDerWaalsContact O-CB 3.29Å; F186-A189 WeakPolarHBondContact O-CB 3.47Å; F186-A189 PolarHBondContact O-N 3.06Å
190K97.6Very high96.7Very high53 Ų5350.2 Ų50.223%0.2323%0.231CC..EExtended strand (participates in β ladder)trans-148.2142.5178.5-178.8175.1170.4-176.40111.1F132 I133 Y192 E225F132-K190 CarbonylContact C-O 3.57Å; F132-K190 VanDerWaalsContact CA-O 3.29Å; F132-K190 WeakPolarHBondContact CA-O 3.24Å; I133-K190 HydrophobicContact CG1-CB 4.26Å; I133-K190 WeakPolarHBondContact CG1-O 3.46Å; I133-K190 PolarHBondContact N-O 3.01Å; I133-K190 PolarHBondContact O-N 2.85Å; K190-Y192 PolarHBondContact O-N 3.36Å; K190-E225 IonicContact NZ-OE1 2.8Å; K190-E225 PolarHBondContact NZ-OE1 3.17Å; K190-E225 IonicContact NZ-OE2 3.89Å; K190-E225 PolarHBondContact NZ-OE2 2.82Å
191K98.3Very high97Very high83 Ų8350.3 Ų50.336%0.36123%0.232SC..EExtended strand (participates in β ladder)trans-70.2123.6173.1-161.8-176.3-171.2-170.20109.2N131 F132 R193 D194N131-K191 HydrophobicContact CB-CG 4.3Å; N131-K191 CarbonylContact O-C 3.56Å; N131-K191 VanDerWaalsContact O-CA 3.28Å; N131-K191 WeakPolarHBondContact O-CA 3.39Å; N131-K191 WeakPolarHBondContact O-CG 3.5Å; F132-K191 HydrophobicContact CD1-CB 4.13Å; F132-K191 HydrophobicContact CE1-CB 3.79Å; F132-K191 HydrophobicContact CE1-CG 4.33Å; F132-K191 HydrophobicContact CZ-CB 4.2Å; F132-K191 HydrophobicContact CZ-CG 4.27Å; K191-R193 WeakPolarHBondContact CE-O 3.22Å; K191-R193 WeakPolarHBondContact CG-O 3.25Å; K191-D194 IonicContact NZ-OD2 2.85Å
192Y98.6Very high97.1Very high2 Ų253.8 Ų53.81%0.00826%0.255CS..  trans-102.8-12.4-177.478-91.3000113.8H128 N131 I133 K190 H200 I201 R228H128-Y192 HydrophobicContact CB-CE1 4.47Å; H128-Y192 WeakPolarHBondContact O-CE1 3.25Å; H128-Y192 PolarHBondContact O-OH 3.01Å; N131-Y192 VanDerWaalsContact CA-CE1 3.5Å; N131-Y192 WeakPolarHBondContact O-CD1 3.43Å; N131-Y192 PolarHBondContact O-N 3.32Å; I133-Y192 HydrophobicContact CG2-CD1 3.83Å; I133-Y192 HydrophobicContact CG2-CG 4.11Å; K190-Y192 PolarHBondContact O-N 3.36Å; Y192-H200 AromaticContact CD2-CD2 3.52Å; Y192-H200 AromaticContact CD2-NE2 3.46Å; Y192-H200 WeakPolarHBondContact CD2-NE2 3.48Å; Y192-H200 CarbonylContact O-C 3.46Å; Y192-I201 WeakPolarHBondContact O-CG1 3.19Å; Y192-I201 WeakPolarHBondContact O-CG2 3.3Å; Y192-I201 PolarHBondContact O-N 2.77Å; Y192-R228 HydrophobicContact CD1-CG 4.37Å; Y192-R228 HydrophobicContact CD2-CG 4.34Å; Y192-R228 HydrophobicContact CE1-CG 4.06Å; Y192-R228 HydrophobicContact CE2-CG 4.05Å; Y192-R228 VanDerWaalsContact CE2-NE 3.3Å; Y192-R228 HydrophobicContact CG-CG 4.5Å; Y192-R228 VanDerWaalsContact CZ-CD 3.46Å; Y192-R228 WeakPolarHBondContact OH-CD 3.44Å
193R97.8Very high97.1Very high33 Ų3358 Ų5813%0.12527%0.271CS..BIsolated β-bridgetrans-149.6157.5173.867.1175.8174.3-158.3-14.7111.7H128 N131 K191 R198 Q199H128-R193 PolarHBondContact O-NH2 2.76Å; N131-R193 HydrophobicContact CB-CG 3.86Å; N131-R193 WeakPolarHBondContact OD1-CG 3.46Å; N131-R193 PolarHBondContact OD1-NE 2.83Å; K191-R193 WeakPolarHBondContact CE-O 3.22Å; K191-R193 WeakPolarHBondContact CG-O 3.25Å; R193-R198 VanDerWaalsContact CZ-NE 3.34Å; R193-R198 VanDerWaalsContact CZ-NH2 3.27Å; R193-R198 VanDerWaalsContact NH2-NH1 3.17Å; R193-Q199 CarbonylContact C-O 3.56Å; R193-Q199 WeakPolarHBondContact CA-O 3.21Å; R193-Q199 VanDerWaalsContact CB-O 3.26Å; R193-Q199 WeakPolarHBondContact CB-O 3.43Å
194D97.5Very high97Very high59 Ų5964.5 Ų64.532%0.31630%0.295SS..  trans-66.1148.4173179.9-114.7000112K191 R196 T197 R198 Q199K191-D194 IonicContact NZ-OD2 2.85Å; D194-R196 PolarHBondContact OD1-N 2.69Å; D194-T197 VanDerWaalsContact CB-OG1 3.27Å; D194-T197 WeakPolarHBondContact CB-OG1 3.4Å; D194-T197 PolarHBondContact OD1-N 3.23Å; D194-T197 PolarHBondContact OD1-OG1 3.24Å; D194-R198 VanDerWaalsContact O-CA 3.27Å; D194-R198 WeakPolarHBondContact O-CA 3.49Å; D194-R198 PolarHBondContact O-N 3.21Å; D194-Q199 PolarHBondContact N-O 2.6Å
195N94Very high97Very high107 Ų10768.1 Ų68.157%0.57231%0.312SS*.THydrogen-bonded Turntrans-75.2-33.2-175.9-170.251000112.3N131N131-N195 PolarHBondContact ND2-OD1 2.99Å
196R95.4Very high96.9Very high222 Ų22275.2 Ų75.284%0.83835%0.349SS*.THydrogen-bonded Turntrans-92.9-54.8-175-174.8-179.968.5170.12.2111.3D194 R198D194-R196 PolarHBondContact OD1-N 2.69Å; R196-R198 VanDerWaalsContact C-N 3.33Å
197T97.1Very high96.8Very high78 Ų7879.2 Ų79.248%0.47937%0.367SS..THydrogen-bonded Turntrans-80.8-17.2-175.562.50000112.8D194 Q199D194-T197 VanDerWaalsContact CB-OG1 3.27Å; D194-T197 WeakPolarHBondContact CB-OG1 3.4Å; D194-T197 PolarHBondContact OD1-N 3.23Å; D194-T197 PolarHBondContact OD1-OG1 3.24Å; T197-Q199 PolarHBondContact O-N 2.84Å; T197-Q199 WeakPolarHBondContact OG1-CB 3.38Å; T197-Q199 PolarHBondContact OG1-N 3.38Å
198R96.9Very high96.7Very high118 Ų11886 Ų8645%0.44540%0.401SS..  trans59.212-173.2-52-70.2-87.7-161.7-20.3113.6N131 R193 D194 R196 H200N131-R198 PolarHBondContact OD1-NH1 3.2Å; R193-R198 VanDerWaalsContact CZ-NE 3.34Å; R193-R198 VanDerWaalsContact CZ-NH2 3.27Å; R193-R198 VanDerWaalsContact NH2-NH1 3.17Å; D194-R198 VanDerWaalsContact O-CA 3.27Å; D194-R198 WeakPolarHBondContact O-CA 3.49Å; D194-R198 PolarHBondContact O-N 3.21Å; R196-R198 VanDerWaalsContact C-N 3.33Å; R198-H200 PolarHBondContact O-N 2.84Å
199Q97.9Very high96.5Very high146 Ų14686.6 Ų86.668%0.68241%0.405SS*.PPolyproline II helixtrans-60.8126.2175.1-172.5178.327.900109.7R193 D194 T197R193-Q199 CarbonylContact C-O 3.56Å; R193-Q199 WeakPolarHBondContact CA-O 3.21Å; R193-Q199 VanDerWaalsContact CB-O 3.26Å; R193-Q199 WeakPolarHBondContact CB-O 3.43Å; D194-Q199 PolarHBondContact N-O 2.6Å; T197-Q199 PolarHBondContact O-N 2.84Å; T197-Q199 WeakPolarHBondContact OG1-CB 3.38Å; T197-Q199 PolarHBondContact OG1-N 3.38Å
200H98.7Very high96.3Very high22 Ų2288.4 Ų88.410%0.10242%0.415CS..BIsolated β-bridgetrans-70.1152.4178.9-159.4-85.5000110.8Y192 R198 F296 E297Y192-H200 AromaticContact CD2-CD2 3.52Å; Y192-H200 AromaticContact CD2-NE2 3.46Å; Y192-H200 WeakPolarHBondContact CD2-NE2 3.48Å; Y192-H200 CarbonylContact O-C 3.46Å; R198-H200 PolarHBondContact O-N 2.84Å; H200-F296 AromaticContact CE1-CD1 3.99Å; H200-F296 AromaticContact CE1-CE1 3.57Å; H200-F296 AromaticContact CE1-CZ 3.72Å; H200-F296 AromaticContact ND1-CE1 3.54Å; H200-E297 HydrophobicContact CB-CB 4.28Å; H200-E297 HydrophobicContact CB-CG 3.97Å
201I98.4Very high96Very high32 Ų3286.9 Ų86.916%0.16442%0.415CS..PPolyproline II helixtrans-59.3146.4168.657.4172.9000109.5Y192 E225 F296Y192-I201 WeakPolarHBondContact O-CG1 3.19Å; Y192-I201 WeakPolarHBondContact O-CG2 3.3Å; Y192-I201 PolarHBondContact O-N 2.77Å; I201-E225 HydrophobicContact CD1-CG 3.88Å; I201-F296 HydrophobicContact CD1-CZ 4.43Å; I201-F296 HydrophobicContact CG1-CZ 4.16Å; I201-F296 WeakPolarHBondContact O-CE1 3.32Å
202P98.1Very high95.9Very high74 Ų7485 Ų8548%0.48141%0.411SS..PPolyproline II helixtrans-66.1148.7179.428.2-35.7000110.9
203Y98.2Very high95.8Very high107 Ų10785.3 Ų85.342%0.4241%0.413SS..PPolyproline II helixtrans-60.3135.8168.5-178.1-93.8000110.3E205 I224 F296Y203-E205 HydrophobicContact CE1-CG 3.55Å; Y203-E205 WeakPolarHBondContact CE1-OE1 3.42Å; Y203-E205 PolarHBondContact OH-OE1 3.2Å; Y203-I224 HydrophobicContact CD2-CG2 4.28Å; Y203-I224 HydrophobicContact CE2-CG2 3.46Å; Y203-I224 VanDerWaalsContact CE2-CG2 3.46Å; Y203-F296 HydrophobicContact CD2-CB 4.19Å; Y203-F296 HydrophobicContact CD2-CD1 4.01Å; Y203-F296 HydrophobicContact CD2-CD2 4.16Å; Y203-F296 HydrophobicContact CD2-CE1 4.42Å; Y203-F296 AromaticContact CD2-CG 3.86Å; Y203-F296 HydrophobicContact CD2-CG 3.86Å
204R97.4Very high95.8Very high139 Ų13988 Ų8853%0.52542%0.423SS..  trans-146.5149.4177.7-61.8-177.3-178.1-174.20.2109.9E225R204-E225 HydrophobicContact CB-CB 4.12Å; R204-E225 WeakPolarHBondContact O-CB 3.21Å; R204-E225 PolarHBondContact O-N 2.7Å
205E96.4Very high95.9Very high108 Ų10885.2 Ų85.251%0.50541%0.408SS..  trans-113.2-169.5173.6-58.7-174.3169.500109.5Y203 K207 G223 I224Y203-E205 HydrophobicContact CE1-CG 3.55Å; Y203-E205 WeakPolarHBondContact CE1-OE1 3.42Å; Y203-E205 PolarHBondContact OH-OE1 3.2Å; E205-K207 PolarHBondContact O-N 3.12Å; E205-K207 VanDerWaalsContact O-N 3.14Å; E205-G223 CarbonylContact C-O 3.54Å; E205-G223 WeakPolarHBondContact CA-O 3.38Å; E205-I224 HydrophobicContact CG-CG1 4.41Å
206D93.1Very high96.1Very high158 Ų15880.5 Ų80.585%0.84538%0.384SS*.  trans56.629.5178.1-55.1-45.6000114.9G223D206-G223 PolarHBondContact N-O 3.28Å; D206-G223 VanDerWaalsContact N-O 3.14Å
207K94.4Very high96.2Very high84 Ų8470 Ų7037%0.36535%0.345SS..PPolyproline II helixtrans-83.1139.1173.6-54.2-57.8-65.3176.10110.3E205 G223 E225E205-K207 PolarHBondContact O-N 3.12Å; E205-K207 VanDerWaalsContact O-N 3.14Å; K207-G223 VanDerWaalsContact CB-O 3.24Å; K207-G223 WeakPolarHBondContact CB-O 3.22Å; K207-G223 WeakPolarHBondContact CG-O 3.27Å; K207-G223 PolarHBondContact N-O 3.44Å; K207-G223 WeakPolarHBondContact O-CA 3.44Å; K207-E225 WeakPolarHBondContact CE-OE2 3.37Å; K207-E225 HydrophobicContact CG-CB 4.27Å; K207-E225 IonicContact NZ-OE2 3.96Å
208N91.6Very high96.3Very high148 Ų14867.4 Ų67.479%0.79133%0.328SS*.PPolyproline II helixtrans-67.7139.8165.2-70.5-39.4000110.2T210N208-T210 PolarHBondContact O-N 3.36Å; N208-T210 VanDerWaalsContact O-N 3.11Å; N208-T210 PolarHBondContact O-OG1 2.62Å
209L92.3Very high96.4Very high42 Ų4263.2 Ų63.222%0.2231%0.314CS..PPolyproline II helixtrans-55120173.8-179.766.2000110.1A213 A216 A220 Y261L209-A213 HydrophobicContact CD2-CB 3.8Å; L209-A216 HydrophobicContact CD1-CB 3.78Å; L209-A220 HydrophobicContact CD1-CB 3.89Å; L209-A220 WeakPolarHBondContact CD1-O 3.31Å; L209-Y261 HydrophobicContact CD2-CD2 3.69Å; L209-Y261 HydrophobicContact CD2-CE2 3.91Å; L209-Y261 HydrophobicContact CD2-CG 4.11Å
210T92.1Very high96.4Very high41 Ų4156.4 Ų56.425%0.25228%0.283SS..  trans-111.3135175.6-58.60000108.7L188 N208 Q226L188-T210 HydrophobicContact CB-CG2 4.35Å; L188-T210 HydrophobicContact CD1-CG2 4.08Å; L188-T210 HydrophobicContact CD2-CG2 3.88Å; L188-T210 HydrophobicContact CG-CG2 4.33Å; N208-T210 PolarHBondContact O-N 3.36Å; N208-T210 VanDerWaalsContact O-N 3.11Å; N208-T210 PolarHBondContact O-OG1 2.62Å; T210-Q226 PolarHBondContact O-NE2 3.38Å
211G92.5Very high96.3Very high21 Ų2156.7 Ų56.722%0.21628%0.284CS..SBendtrans94.9-170.9-177.400000114D136 A213D136-G211 WeakPolarHBondContact OD1-CA 3.17Å; G211-A213 PolarHBondContact O-N 3.41Å
212T95.2Very high96.2Very high45 Ų4559.3 Ų59.328%0.27630%0.298SS..  trans-81.9109.3-173.4-57.20000111.9D136 K138 R214 Y215 A216D136-T212 WeakPolarHBondContact OD1-CB 3.4Å; D136-T212 PolarHBondContact OD1-N 2.71Å; D136-T212 PolarHBondContact OD1-OG1 2.88Å; K138-T212 VanDerWaalsContact CD-OG1 3.31Å; K138-T212 WeakPolarHBondContact CD-OG1 3.45Å; T212-R214 HydrophobicContact CG2-CB 4.24Å; T212-R214 PolarHBondContact O-N 2.82Å; T212-Y215 HydrophobicContact CG2-CD2 3.81Å; T212-Y215 HydrophobicContact CG2-CE2 4.14Å; T212-Y215 PolarHBondContact O-N 3.14Å; T212-A216 PolarHBondContact O-N 3.11Å
213A96.9Very high96.1Very high7 Ų756.2 Ų56.26%0.05828%0.279CS..THydrogen-bonded Turntrans-49.9-32.3-176.500000115.6L209 G211 Y215 H221 Y261 I264 K268L209-A213 HydrophobicContact CD2-CB 3.8Å; G211-A213 PolarHBondContact O-N 3.41Å; A213-Y215 VanDerWaalsContact C-N 3.31Å; A213-Y215 PolarHBondContact O-N 3.31Å; A213-H221 PolarHBondContact O-NE2 3.24Å; A213-Y261 HydrophobicContact CB-CD1 3.63Å; A213-Y261 HydrophobicContact CB-CE1 3.43Å; A213-Y261 VanDerWaalsContact CB-CE1 3.43Å; A213-Y261 HydrophobicContact CB-CG 4.28Å; A213-I264 HydrophobicContact CB-CD1 4.23Å; A213-K268 PolarHBondContact O-NZ 3.32Å
214R98.1Very high96.1Very high89 Ų8952 Ų5234%0.33626%0.264SS..THydrogen-bonded Turntrans-58.8-42.6177.4-170.2-171.7-60.5159.21.4111.6T212 L247 W249 Q250 K268T212-R214 HydrophobicContact CG2-CB 4.24Å; T212-R214 PolarHBondContact O-N 2.82Å; R214-L247 HydrophobicContact CG-CD1 4.06Å; R214-W249 PolarHBondContact O-NE1 3.14Å; R214-Q250 HydrophobicContact CG-CG 4.24Å; R214-K268 WeakPolarHBondContact O-CE 3.48Å; R214-K268 PolarHBondContact O-NZ 2.81Å
215Y98.5Very high96.2Very high2 Ų245.7 Ų45.71%0.00824%0.24CC..THydrogen-bonded Turntrans-106-10.3-174.1-48.4-67.8000113.2I137 K138 P139 T212 A213 S234 Y237 V238 Y241 L247I137-Y215 WeakPolarHBondContact O-CB 3.34Å; K138-Y215 HydrophobicContact CB-CD2 3.43Å; K138-Y215 VanDerWaalsContact CB-CD2 3.43Å; K138-Y215 HydrophobicContact CB-CE2 3.59Å; K138-Y215 HydrophobicContact CB-CG 4.38Å; P139-Y215 VanDerWaalsContact CD-CZ 3.42Å; T212-Y215 HydrophobicContact CG2-CD2 3.81Å; T212-Y215 HydrophobicContact CG2-CE2 4.14Å; T212-Y215 PolarHBondContact O-N 3.14Å; A213-Y215 VanDerWaalsContact C-N 3.31Å; A213-Y215 PolarHBondContact O-N 3.31Å; Y215-S234 WeakPolarHBondContact O-CA 3.24Å; Y215-S234 WeakPolarHBondContact O-CB 3.43Å; Y215-S234 PolarHBondContact O-OG 3.01Å; Y215-Y237 WeakPolarHBondContact O-CD2 3.44Å; Y215-V238 HydrophobicContact CD1-CG2 3.71Å; Y215-V238 HydrophobicContact CE1-CG2 4.17Å; Y215-V238 HydrophobicContact CG-CG2 3.99Å; Y215-Y241 HydrophobicContact CE1-CD1 4.38Å; Y215-Y241 HydrophobicContact CE1-CG 4.2Å; Y215-L247 HydrophobicContact CD1-CD1 4.19Å; Y215-L247 HydrophobicContact CE1-CD1 4.16Å
216A98.4Very high96.3Very high8 Ų841.1 Ų41.17%0.06622%0.219CC..  trans-56.4147.4179.200000113.7L209 T212 A220 K268L209-A216 HydrophobicContact CD1-CB 3.78Å; T212-A216 PolarHBondContact O-N 3.11Å; A216-A220 HydrophobicContact CB-CB 4.31Å; A216-K268 PolarHBondContact O-NZ 3.14Å
217S98.7Very high96.6Very high0 Ų033.6 Ų33.60%018%0.179CC..  trans-62.1161.3173.967.90000112.3N219 A220 H221 D230 E233S217-N219 VanDerWaalsContact C-N 3.31Å; S217-A220 PolarHBondContact O-N 2.79Å; S217-A220 VanDerWaalsContact OG-CB 3.32Å; S217-A220 WeakPolarHBondContact OG-CB 3.31Å; S217-A220 PolarHBondContact OG-N 3.39Å; S217-A220 VanDerWaalsContact OG-N 3.07Å; S217-H221 PolarHBondContact O-CD2 3.2Å; S217-H221 PolarHBondContact O-N 3.06Å; S217-D230 WeakPolarHBondContact CB-OD1 3.39Å; S217-D230 PolarHBondContact OG-OD1 3.11Å; S217-E233 WeakPolarHBondContact CA-OE1 3.49Å
218I98.4Very high96.8Very high24 Ų2430.4 Ų30.412%0.12316%0.164CC..Hα-helixtrans-59.9-44.7172.4-68.8172.6000110.2A220 H221 L222 E233 K268 M269I218-A220 VanDerWaalsContact C-N 3.29Å; I218-A220 PolarHBondContact O-N 2.84Å; I218-H221 WeakPolarHBondContact O-CB 3.36Å; I218-H221 PolarHBondContact O-N 3.36Å; I218-L222 HydrophobicContact CG2-CD1 4Å; I218-L222 HydrophobicContact CG2-CG 4.36Å; I218-L222 WeakPolarHBondContact O-CG 3.41Å; I218-L222 PolarHBondContact O-N 2.9Å; I218-E233 PolarHBondContact N-OE1 3.43Å; I218-K268 HydrophobicContact CG1-CB 4.11Å; I218-M269 HydrophobicContact CD1-CG 4.48Å; I218-M269 HydrophobicContact CG2-CG 3.78Å; I218-M269 HydrophobicContact CG2-SD 4.37Å
219N98.3Very high97.1Very high30 Ų3024.7 Ų24.716%0.1613%0.132CC..Hα-helixtrans-58.8-39.7178.9-67-38.1000112.4S217 H221 L222 G223 I224S217-N219 VanDerWaalsContact C-N 3.31Å; N219-H221 VanDerWaalsContact C-N 3.29Å; N219-H221 PolarHBondContact O-N 3.28Å; N219-L222 CarbonylContact O-C 3.59Å; N219-L222 PolarHBondContact O-N 3.08Å; N219-L222 VanDerWaalsContact O-N 3.13Å; N219-G223 PolarHBondContact O-N 3.11Å; N219-I224 HydrophobicContact CB-CB 4.13Å; N219-I224 HydrophobicContact CB-CD1 4.19Å; N219-I224 HydrophobicContact CB-CG2 4.49Å; N219-I224 WeakPolarHBondContact O-CB 3.4Å; N219-I224 PolarHBondContact O-N 2.76Å
220A97.8Very high97.4Very high3 Ų322.7 Ų22.73%0.02512%0.121CC..Hα-helixtrans-64.4-33.2176.500000112.7L209 A216 S217 I218 G223 Q226L209-A220 HydrophobicContact CD1-CB 3.89Å; L209-A220 WeakPolarHBondContact CD1-O 3.31Å; A216-A220 HydrophobicContact CB-CB 4.31Å; S217-A220 PolarHBondContact O-N 2.79Å; S217-A220 VanDerWaalsContact OG-CB 3.32Å; S217-A220 WeakPolarHBondContact OG-CB 3.31Å; S217-A220 PolarHBondContact OG-N 3.39Å; S217-A220 VanDerWaalsContact OG-N 3.07Å; I218-A220 VanDerWaalsContact C-N 3.29Å; I218-A220 PolarHBondContact O-N 2.84Å; A220-G223 PolarHBondContact O-N 2.92Å; A220-Q226 HydrophobicContact CB-CG 3.92Å
221H97.3Very high97.8Very high28 Ų2820.8 Ų20.813%0.1311%0.11CC..Hα-helixtrans-70.5-33.9172.5-85.4-76.1000112.6A213 S217 I218 N219 G223 S265A213-H221 PolarHBondContact O-NE2 3.24Å; S217-H221 PolarHBondContact O-CD2 3.2Å; S217-H221 PolarHBondContact O-N 3.06Å; I218-H221 WeakPolarHBondContact O-CB 3.36Å; I218-H221 PolarHBondContact O-N 3.36Å; N219-H221 VanDerWaalsContact C-N 3.29Å; N219-H221 PolarHBondContact O-N 3.28Å; H221-G223 PolarHBondContact O-N 2.86Å; H221-S265 WeakPolarHBondContact CB-OG 3.32Å
222L96.4Very high98.1Very high88 Ų8819.8 Ų19.846%0.46110%0.099SC..THydrogen-bonded Turntrans-75.32.8175.2-62.3175.9000113.3I218 N219 I224 M269I218-L222 HydrophobicContact CG2-CD1 4Å; I218-L222 HydrophobicContact CG2-CG 4.36Å; I218-L222 WeakPolarHBondContact O-CG 3.41Å; I218-L222 PolarHBondContact O-N 2.9Å; N219-L222 CarbonylContact O-C 3.59Å; N219-L222 PolarHBondContact O-N 3.08Å; N219-L222 VanDerWaalsContact O-N 3.13Å; L222-I224 VanDerWaalsContact C-N 3.26Å; L222-I224 HydrophobicContact CB-CD1 4.26Å; L222-I224 HydrophobicContact CB-CG1 4.29Å; L222-I224 PolarHBondContact O-N 2.85Å; L222-M269 HydrophobicContact CD2-CE 4.45Å; L222-M269 HydrophobicContact CD2-SD 4.04Å
223G97Very high98.3Very high8 Ų817.7 Ų17.78%0.0829%0.087CC..THydrogen-bonded Turntrans73.517.218000000114.1E205 D206 K207 N219 A220 H221E205-G223 CarbonylContact C-O 3.54Å; E205-G223 WeakPolarHBondContact CA-O 3.38Å; D206-G223 PolarHBondContact N-O 3.28Å; D206-G223 VanDerWaalsContact N-O 3.14Å; K207-G223 VanDerWaalsContact CB-O 3.24Å; K207-G223 WeakPolarHBondContact CB-O 3.22Å; K207-G223 WeakPolarHBondContact CG-O 3.27Å; K207-G223 PolarHBondContact N-O 3.44Å; K207-G223 WeakPolarHBondContact O-CA 3.44Å; N219-G223 PolarHBondContact O-N 3.11Å; A220-G223 PolarHBondContact O-N 2.92Å; H221-G223 PolarHBondContact O-N 2.86Å
224I98.3Very high98.3Very high20 Ų2017.6 Ų17.610%0.1039%0.086CC..PPolyproline II helixtrans-77.4139.1173.3-59.6170.4000108.7Y203 E205 N219 L222 Q226Y203-I224 HydrophobicContact CD2-CG2 4.28Å; Y203-I224 HydrophobicContact CE2-CG2 3.46Å; Y203-I224 VanDerWaalsContact CE2-CG2 3.46Å; E205-I224 HydrophobicContact CG-CG1 4.41Å; N219-I224 HydrophobicContact CB-CB 4.13Å; N219-I224 HydrophobicContact CB-CD1 4.19Å; N219-I224 HydrophobicContact CB-CG2 4.49Å; N219-I224 WeakPolarHBondContact O-CB 3.4Å; N219-I224 PolarHBondContact O-N 2.76Å; L222-I224 VanDerWaalsContact C-N 3.26Å; L222-I224 HydrophobicContact CB-CD1 4.26Å; L222-I224 HydrophobicContact CB-CG1 4.29Å; L222-I224 PolarHBondContact O-N 2.85Å; I224-Q226 PolarHBondContact O-N 3.48Å
225E98.3Very high98.4Very high6 Ų613.4 Ų13.43%0.0287%0.07CC..PPolyproline II helixtrans-54.9135174.1-17371.3-109.400110.1K190 I201 R204 K207 F296K190-E225 IonicContact NZ-OE1 2.8Å; K190-E225 PolarHBondContact NZ-OE1 3.17Å; K190-E225 IonicContact NZ-OE2 3.89Å; K190-E225 PolarHBondContact NZ-OE2 2.82Å; I201-E225 HydrophobicContact CD1-CG 3.88Å; R204-E225 HydrophobicContact CB-CB 4.12Å; R204-E225 WeakPolarHBondContact O-CB 3.21Å; R204-E225 PolarHBondContact O-N 2.7Å; K207-E225 WeakPolarHBondContact CE-OE2 3.37Å; K207-E225 HydrophobicContact CG-CB 4.27Å; K207-E225 IonicContact NZ-OE2 3.96Å; E225-F296 HydrophobicContact CB-CE2 4.34Å; E225-F296 HydrophobicContact CB-CZ 4.33Å; E225-F296 HydrophobicContact CG-CZ 4.34Å; E225-F296 WeakPolarHBondContact O-CE2 3.37Å
226Q98.8Very high98.4Very high11 Ų1113.4 Ų13.45%0.0517%0.07CC..PPolyproline II helixtrans-79.1149.3-177.9-68.5-179.649.200111I133 R135 T210 A220 I224 D230I133-Q226 HydrophobicContact CD1-CB 4.01Å; I133-Q226 WeakPolarHBondContact CD1-O 3.24Å; R135-Q226 HydrophobicContact CG-CB 4.26Å; T210-Q226 PolarHBondContact O-NE2 3.38Å; A220-Q226 HydrophobicContact CB-CG 3.92Å; I224-Q226 PolarHBondContact O-N 3.48Å; Q226-D230 WeakPolarHBondContact CA-OD2 3.25Å; Q226-D230 HydrophobicContact CB-CB 4.12Å; Q226-D230 HydrophobicContact CG-CB 4.14Å
227S98.8Very high98.4Very high1 Ų113 Ų131%0.0077%0.067CC..  trans-139.1-172176.664.90000109.8R229 D230 F296S227-R229 PolarHBondContact O-N 3.03Å; S227-R229 WeakPolarHBondContact OG-CG 3.26Å; S227-D230 PolarHBondContact N-OD2 3.39Å; S227-D230 WeakPolarHBondContact O-CB 3.38Å; S227-D230 PolarHBondContact O-N 3.48Å; S227-D230 VanDerWaalsContact O-N 3.11Å; S227-D230 PolarHBondContact OG-OD2 3.09Å; S227-D230 VanDerWaalsContact OG-OD2 3.04Å; S227-F296 WeakPolarHBondContact CB-O 3.28Å; S227-F296 PolarHBondContact OG-O 2.87Å
228R98.9Very high98.4Very high16 Ų1613 Ų136%0.067%0.067CC..Hα-helixtrans-57.6-35.7-178.3-68.5171.5-79.2-175.70.6113.2H128 I133 Y192 D230 D231 M232 E297 E298 P300H128-R228 HydrophobicContact CB-CG 4.24Å; H128-R228 PolarHBondContact CE1-O 3.28Å; I133-R228 HydrophobicContact CG2-CG 4.05Å; Y192-R228 HydrophobicContact CD1-CG 4.37Å; Y192-R228 HydrophobicContact CD2-CG 4.34Å; Y192-R228 HydrophobicContact CE1-CG 4.06Å; Y192-R228 HydrophobicContact CE2-CG 4.05Å; Y192-R228 VanDerWaalsContact CE2-NE 3.3Å; Y192-R228 HydrophobicContact CG-CG 4.5Å; Y192-R228 VanDerWaalsContact CZ-CD 3.46Å; Y192-R228 WeakPolarHBondContact OH-CD 3.44Å; R228-D230 PolarHBondContact O-N 3.26Å; R228-D231 PolarHBondContact O-N 2.94Å; R228-M232 WeakPolarHBondContact O-CG 3.44Å; R228-M232 PolarHBondContact O-N 2.87Å; R228-E297 PolarHBondContact NH2-O 3.15Å; R228-E298 PolarHBondContact NH2-O 3.42Å; R228-P300 HydrophobicContact CB-CG 4Å
229R98.8Very high98.5Very high28 Ų2811.9 Ų11.911%0.1066%0.061CC..Hα-helixtrans-62-30.3-179.774.1-167.1173.4165.70112.4S227 M232 E233 L294S227-R229 PolarHBondContact O-N 3.03Å; S227-R229 WeakPolarHBondContact OG-CG 3.26Å; R229-M232 PolarHBondContact O-N 2.87Å; R229-E233 WeakPolarHBondContact O-CB 3.22Å; R229-E233 PolarHBondContact O-N 3.49Å; R229-L294 HydrophobicContact CB-CB 3.73Å; R229-L294 HydrophobicContact CB-CD1 3.79Å; R229-L294 HydrophobicContact CB-CG 4.43Å; R229-L294 WeakPolarHBondContact CD-O 3.29Å; R229-L294 PolarHBondContact NH1-O 3.47Å
230D98.9Very high98.5Very high0 Ų010.5 Ų10.50%05%0.054CC..Hα-helixtrans-74-38-176.2-58.3-79000111.9S217 Q226 S227 R228 M232 S234S217-D230 WeakPolarHBondContact CB-OD1 3.39Å; S217-D230 PolarHBondContact OG-OD1 3.11Å; Q226-D230 WeakPolarHBondContact CA-OD2 3.25Å; Q226-D230 HydrophobicContact CB-CB 4.12Å; Q226-D230 HydrophobicContact CG-CB 4.14Å; S227-D230 PolarHBondContact N-OD2 3.39Å; S227-D230 WeakPolarHBondContact O-CB 3.38Å; S227-D230 PolarHBondContact O-N 3.48Å; S227-D230 VanDerWaalsContact O-N 3.11Å; S227-D230 PolarHBondContact OG-OD2 3.09Å; S227-D230 VanDerWaalsContact OG-OD2 3.04Å; R228-D230 PolarHBondContact O-N 3.26Å; D230-M232 VanDerWaalsContact C-N 3.33Å; D230-S234 VanDerWaalsContact O-CB 3.31Å; D230-S234 WeakPolarHBondContact O-CB 3.45Å; D230-S234 PolarHBondContact O-N 3.29Å; D230-S234 PolarHBondContact O-OG 3.44Å
231D98.9Very high98.5Very high1 Ų110.4 Ų10.41%0.0055%0.053CC..Hα-helixtrans-64.2-40.3170.9-78-25.3000111I124 H128 I133 H134 R135 I137 R228 S234 L235I124-D231 HydrophobicContact CG2-CB 3.98Å; H128-D231 IonicContact NE2-OD2 3.09Å; H128-D231 PolarHBondContact NE2-OD2 3.23Å; H128-D231 VanDerWaalsContact NE2-OD2 3.09Å; I133-D231 WeakPolarHBondContact CA-OD2 3.39Å; I133-D231 WeakPolarHBondContact CB-OD2 3.2Å; H134-D231 PolarHBondContact N-OD2 3.38Å; R135-D231 WeakPolarHBondContact CA-OD1 3.24Å; R135-D231 PolarHBondContact N-OD1 3.45Å; I137-D231 HydrophobicContact CG1-CB 3.99Å; R228-D231 PolarHBondContact O-N 2.94Å; D231-S234 PolarHBondContact O-N 3.27Å; D231-L235 PolarHBondContact O-N 3.01Å
232M98.9Very high98.6Very high0 Ų09.1 Ų9.10%05%0.047CC..Hα-helixtrans-69-42.3178.8-60.7-50.4-68.900112.6I121 I124 R228 R229 D230 S234 L235 G236 Y287 C291 P300 Y302 L305I121-M232 HydrophobicContact CG1-CE 4.33Å; I121-M232 HydrophobicContact CG2-CE 4.05Å; I124-M232 HydrophobicContact CB-SD 4.25Å; I124-M232 HydrophobicContact CD1-SD 4.48Å; I124-M232 HydrophobicContact CG2-SD 3.6Å; R228-M232 WeakPolarHBondContact O-CG 3.44Å; R228-M232 PolarHBondContact O-N 2.87Å; R229-M232 PolarHBondContact O-N 2.87Å; D230-M232 VanDerWaalsContact C-N 3.33Å; M232-S234 VanDerWaalsContact C-N 3.32Å; M232-L235 WeakPolarHBondContact O-CB 3.22Å; M232-L235 PolarHBondContact O-N 3.5Å; M232-G236 PolarHBondContact O-N 3.39Å; M232-G236 VanDerWaalsContact O-N 3.14Å; M232-Y287 HydrophobicContact CE-CE2 4.5Å; M232-Y287 WeakPolarHBondContact CE-OH 3.42Å; M232-Y287 VanDerWaalsContact O-CE1 3.25Å; M232-Y287 WeakPolarHBondContact O-CE1 3.47Å; M232-Y287 PolarHBondContact O-OH 3.1Å; M232-C291 HydrophobicContact CB-CB 4.48Å; M232-P300 HydrophobicContact CG-CB 4.12Å; M232-P300 HydrophobicContact CG-CG 3.84Å; M232-Y302 HydrophobicContact CE-CD1 3.97Å; M232-Y302 HydrophobicContact CE-CE1 4.26Å; M232-Y302 HydrophobicContact CG-CE1 4.48Å; M232-Y302 HydrophobicContact SD-CD1 4.13Å; M232-Y302 HydrophobicContact SD-CE1 3.83Å; M232-L305 HydrophobicContact CE-CD1 3.63Å
233E98.9Very high98.7Very high2 Ų25.9 Ų5.91%0.0093%0.03CC..Hα-helixtrans-62.6-42.1174-171.1-175.5137.500110.9S217 I218 R229 L235 G236 Y237 C291 R292S217-E233 WeakPolarHBondContact CA-OE1 3.49Å; I218-E233 PolarHBondContact N-OE1 3.43Å; R229-E233 WeakPolarHBondContact O-CB 3.22Å; R229-E233 PolarHBondContact O-N 3.49Å; E233-L235 VanDerWaalsContact C-N 3.32Å; E233-L235 PolarHBondContact O-N 2.9Å; E233-G236 WeakPolarHBondContact O-CA 3.46Å; E233-G236 PolarHBondContact O-N 3.25Å; E233-Y237 HydrophobicContact CG-CE2 3.73Å; E233-Y237 PolarHBondContact O-N 3.18Å; E233-Y237 VanDerWaalsContact O-N 3.15Å; E233-Y237 WeakPolarHBondContact OE1-CE2 3.38Å; E233-Y237 VanDerWaalsContact OE1-CZ 3.31Å; E233-Y237 PolarHBondContact OE1-OH 3.41Å; E233-C291 HydrophobicContact CB-CB 4.16Å; E233-R292 HydrophobicContact CG-CG 4.46Å
234S98.9Very high98.8Very high5 Ų59.3 Ų9.34%0.0354%0.041CC..Hα-helixtrans-60-41.7176.6-58.50000111.9Y215 D230 D231 M232 G236 Y237 V238Y215-S234 WeakPolarHBondContact O-CA 3.24Å; Y215-S234 WeakPolarHBondContact O-CB 3.43Å; Y215-S234 PolarHBondContact O-OG 3.01Å; D230-S234 VanDerWaalsContact O-CB 3.31Å; D230-S234 WeakPolarHBondContact O-CB 3.45Å; D230-S234 PolarHBondContact O-N 3.29Å; D230-S234 PolarHBondContact O-OG 3.44Å; D231-S234 PolarHBondContact O-N 3.27Å; M232-S234 VanDerWaalsContact C-N 3.32Å; S234-G236 VanDerWaalsContact C-N 3.31Å; S234-G236 PolarHBondContact O-N 3.18Å; S234-Y237 PolarHBondContact O-N 3Å; S234-V238 WeakPolarHBondContact O-CG2 3.37Å; S234-V238 PolarHBondContact O-N 2.99Å
235L98.9Very high98.7Very high0 Ų011.2 Ų11.20%05%0.053CC..Hα-helixtrans-59.5-40.8172.9176.759.3000111.8M120 I121 I124 I137 D231 M232 E233 Y237 V238 L239M120-L235 HydrophobicContact CB-CD1 3.72Å; M120-L235 HydrophobicContact CB-CD2 4.03Å; M120-L235 HydrophobicContact CE-CD1 3.29Å; M120-L235 HydrophobicContact CG-CD1 4.3Å; M120-L235 HydrophobicContact SD-CD1 3.76Å; I121-L235 HydrophobicContact CB-CD2 4.46Å; I121-L235 HydrophobicContact CG1-CD2 3.61Å; I124-L235 HydrophobicContact CD1-CB 3.88Å; I124-L235 HydrophobicContact CD1-CD2 3.78Å; I124-L235 HydrophobicContact CD1-CG 4.3Å; I137-L235 HydrophobicContact CG2-CB 4.11Å; D231-L235 PolarHBondContact O-N 3.01Å; M232-L235 WeakPolarHBondContact O-CB 3.22Å; M232-L235 PolarHBondContact O-N 3.5Å; E233-L235 VanDerWaalsContact C-N 3.32Å; E233-L235 PolarHBondContact O-N 2.9Å; L235-Y237 VanDerWaalsContact C-N 3.3Å; L235-Y237 PolarHBondContact O-N 3.4Å; L235-V238 WeakPolarHBondContact O-CB 3.45Å; L235-V238 PolarHBondContact O-N 2.91Å; L235-L239 HydrophobicContact CD1-CD2 4.41Å; L235-L239 HydrophobicContact CD1-CG 4.19Å; L235-L239 HydrophobicContact CG-CD1 4.34Å; L235-L239 HydrophobicContact CG-CG 4.39Å; L235-L239 WeakPolarHBondContact O-CG 3.47Å; L235-L239 PolarHBondContact O-N 3.41Å
236G98.9Very high98.7Very high2 Ų213.7 Ų13.72%0.0217%0.071CC..Hα-helixtrans-57.7-42175.400000112.6M232 E233 S234 L239 M240M232-G236 PolarHBondContact O-N 3.39Å; M232-G236 VanDerWaalsContact O-N 3.14Å; E233-G236 WeakPolarHBondContact O-CA 3.46Å; E233-G236 PolarHBondContact O-N 3.25Å; S234-G236 VanDerWaalsContact C-N 3.31Å; S234-G236 PolarHBondContact O-N 3.18Å; G236-L239 PolarHBondContact O-N 2.86Å; G236-M240 WeakPolarHBondContact O-CG 3.21Å; G236-M240 PolarHBondContact O-N 3Å
237Y98.9Very high98.7Very high0 Ų013.3 Ų13.30%07%0.069CC..Hα-helixtrans-66.7-35174.1-60.6-43.4000113.1Y215 E233 S234 L235 Y241 W249 L276 L288 R292Y215-Y237 WeakPolarHBondContact O-CD2 3.44Å; E233-Y237 HydrophobicContact CG-CE2 3.73Å; E233-Y237 PolarHBondContact O-N 3.18Å; E233-Y237 VanDerWaalsContact O-N 3.15Å; E233-Y237 WeakPolarHBondContact OE1-CE2 3.38Å; E233-Y237 VanDerWaalsContact OE1-CZ 3.31Å; E233-Y237 PolarHBondContact OE1-OH 3.41Å; S234-Y237 PolarHBondContact O-N 3Å; L235-Y237 VanDerWaalsContact C-N 3.3Å; L235-Y237 PolarHBondContact O-N 3.4Å; Y237-Y241 VanDerWaalsContact O-CB 3.29Å; Y237-Y241 WeakPolarHBondContact O-CB 3.38Å; Y237-Y241 PolarHBondContact O-N 2.88Å; Y237-W249 AromaticContact CD1-CH2 3.58Å; Y237-W249 HydrophobicContact CD1-CH2 3.58Å; Y237-W249 AromaticContact CD1-CZ2 3.71Å; Y237-W249 HydrophobicContact CD1-CZ2 3.71Å; Y237-W249 AromaticContact CE1-CH2 3.7Å; Y237-W249 HydrophobicContact CE1-CH2 3.7Å; Y237-W249 HydrophobicContact CE1-CZ2 4.13Å; Y237-W249 HydrophobicContact CG-CH2 4.32Å; Y237-W249 AromaticContact CG-CZ2 3.97Å; Y237-W249 HydrophobicContact CG-CZ2 3.97Å; Y237-L276 HydrophobicContact CD1-CD2 4.13Å; Y237-L276 HydrophobicContact CE1-CD2 4.18Å; Y237-L288 HydrophobicContact CD1-CD2 4.16Å; Y237-L288 HydrophobicContact CE1-CD2 3.99Å; Y237-R292 PolarHBondContact OH-NH2 3.12Å
238V98.9Very high98.7Very high0 Ų015.5 Ų15.50%08%0.083CC..Hα-helixtrans-65-44.7174.31720000111.4M120 I137 P139 Y215 S234 L235 M240 Y241 F242M120-V238 HydrophobicContact CE-CG1 3.75Å; I137-V238 HydrophobicContact CG2-CG2 4.42Å; P139-V238 HydrophobicContact CG-CG1 3.94Å; Y215-V238 HydrophobicContact CD1-CG2 3.71Å; Y215-V238 HydrophobicContact CE1-CG2 4.17Å; Y215-V238 HydrophobicContact CG-CG2 3.99Å; S234-V238 WeakPolarHBondContact O-CG2 3.37Å; S234-V238 PolarHBondContact O-N 2.99Å; L235-V238 WeakPolarHBondContact O-CB 3.45Å; L235-V238 PolarHBondContact O-N 2.91Å; V238-M240 PolarHBondContact O-N 3.48Å; V238-Y241 WeakPolarHBondContact O-CB 3.32Å; V238-Y241 PolarHBondContact O-N 3.35Å; V238-F242 HydrophobicContact CG1-CD2 4.13Å; V238-F242 HydrophobicContact CG1-CE2 3.44Å; V238-F242 VanDerWaalsContact CG1-CE2 3.44Å; V238-F242 HydrophobicContact CG1-CZ 3.76Å; V238-F242 WeakPolarHBondContact O-CD2 3.35Å; V238-F242 PolarHBondContact O-N 3Å; V238-F242 VanDerWaalsContact O-N 3.1Å
239L98.9Very high98.7Very high1 Ų114.9 Ų14.91%0.0058%0.081CC..Hα-helixtrans-62.9-43.6176.6-63.7177.8000111.5V113 A117 M120 L235 G236 Y241 F242 N243 F284 F309V113-L239 HydrophobicContact CG1-CD2 4.13Å; A117-L239 HydrophobicContact CB-CD1 3.86Å; A117-L239 HydrophobicContact CB-CD2 3.82Å; M120-L239 HydrophobicContact SD-CD2 4.2Å; L235-L239 HydrophobicContact CD1-CD2 4.41Å; L235-L239 HydrophobicContact CD1-CG 4.19Å; L235-L239 HydrophobicContact CG-CD1 4.34Å; L235-L239 HydrophobicContact CG-CG 4.39Å; L235-L239 WeakPolarHBondContact O-CG 3.47Å; L235-L239 PolarHBondContact O-N 3.41Å; G236-L239 PolarHBondContact O-N 2.86Å; L239-Y241 VanDerWaalsContact C-N 3.3Å; L239-Y241 PolarHBondContact O-N 3.38Å; L239-F242 PolarHBondContact O-N 3.25Å; L239-N243 PolarHBondContact O-N 3.37Å; L239-F284 HydrophobicContact CB-CD1 4.37Å; L239-F284 HydrophobicContact CB-CE1 4.13Å; L239-F309 HydrophobicContact CD1-CE2 3.89Å; L239-F309 HydrophobicContact CD1-CZ 4.03Å
240M98.9Very high98.6Very high1 Ų116.1 Ų16.11%0.0059%0.088CC..Hα-helixtrans-66.4-31.5175.5-71.7-50-57.800113.1G236 V238 N243 R244 L247 L276 C277 F280 F284 L288G236-M240 WeakPolarHBondContact O-CG 3.21Å; G236-M240 PolarHBondContact O-N 3Å; V238-M240 PolarHBondContact O-N 3.48Å; M240-N243 HydrophobicContact CE-CB 4.47Å; M240-N243 PolarHBondContact O-N 3.46Å; M240-R244 HydrophobicContact CE-CG 3.94Å; M240-R244 VanDerWaalsContact O-CB 3.23Å; M240-R244 WeakPolarHBondContact O-CB 3.26Å; M240-R244 VanDerWaalsContact O-CG 3.22Å; M240-R244 WeakPolarHBondContact O-CG 3.47Å; M240-R244 PolarHBondContact O-N 2.98Å; M240-L247 HydrophobicContact CB-CD2 4.17Å; M240-L276 WeakPolarHBondContact CE-O 3.45Å; M240-L276 HydrophobicContact CG-CD2 4.4Å; M240-L276 HydrophobicContact CG-CG 4.41Å; M240-C277 HydrophobicContact CE-CB 4.29Å; M240-F280 HydrophobicContact CE-CD2 3.85Å; M240-F280 HydrophobicContact CE-CE2 4.32Å; M240-F280 HydrophobicContact CE-CG 4.32Å; M240-F284 HydrophobicContact SD-CB 3.62Å; M240-F284 HydrophobicContact SD-CD1 3.85Å; M240-F284 HydrophobicContact SD-CG 3.85Å; M240-L288 HydrophobicContact CG-CD1 4.09Å
241Y98.8Very high98.3Very high1 Ų119.7 Ų19.70%0.00413%0.125CC..Hα-helixtrans-62.6-45.1172.4166.4-105.6000111.8E98 F101 R106 P139 Y215 Y237 V238 L239 R244 T245 L247E98-Y241 VanDerWaalsContact CD-OH 3.27Å; E98-Y241 PolarHBondContact OE1-OH 3.5Å; E98-Y241 VanDerWaalsContact OE2-CE1 3.28Å; E98-Y241 WeakPolarHBondContact OE2-CE1 3.45Å; E98-Y241 PolarHBondContact OE2-OH 2.92Å; F101-Y241 AromaticContact CD1-CE1 3.91Å; F101-Y241 HydrophobicContact CD1-CE1 3.91Å; F101-Y241 AromaticContact CE1-CE1 3.88Å; F101-Y241 HydrophobicContact CE1-CE1 3.88Å; F101-Y241 HydrophobicContact CE1-CE2 4.46Å; F101-Y241 AromaticContact CE1-CZ 3.88Å; R106-Y241 PolarHBondContact NH1-OH 3.49Å; R106-Y241 PolarHBondContact NH2-OH 3.12Å; P139-Y241 HydrophobicContact CG-CD1 4.01Å; P139-Y241 HydrophobicContact CG-CE1 3.94Å; Y215-Y241 HydrophobicContact CE1-CD1 4.38Å; Y215-Y241 HydrophobicContact CE1-CG 4.2Å; Y237-Y241 VanDerWaalsContact O-CB 3.29Å; Y237-Y241 WeakPolarHBondContact O-CB 3.38Å; Y237-Y241 PolarHBondContact O-N 2.88Å; V238-Y241 WeakPolarHBondContact O-CB 3.32Å; V238-Y241 PolarHBondContact O-N 3.35Å; L239-Y241 VanDerWaalsContact C-N 3.3Å; L239-Y241 PolarHBondContact O-N 3.38Å; Y241-R244 PolarHBondContact O-N 3.29Å; Y241-T245 WeakPolarHBondContact O-CA 3.25Å; Y241-T245 PolarHBondContact O-N 3.15Å; Y241-L247 HydrophobicContact CD2-CG 4.42Å
242F98.8Very high98.1Very high1 Ų122 Ų220%0.00414%0.137CC..Hα-helixtrans-63.6-42.5175.7-63.3-41.6000112.6L97 F101 F108 V113 P139 V238 L239 R244L97-F242 HydrophobicContact CB-CE1 4.49Å; L97-F242 HydrophobicContact CB-CZ 3.87Å; L97-F242 HydrophobicContact CD1-CE2 4.18Å; L97-F242 HydrophobicContact CD1-CZ 4.06Å; F101-F242 HydrophobicContact CB-CE1 4.35Å; F101-F242 HydrophobicContact CD1-CD1 4.38Å; F101-F242 AromaticContact CD2-CD1 3.86Å; F101-F242 HydrophobicContact CD2-CD1 3.86Å; F101-F242 HydrophobicContact CD2-CE1 4.5Å; F101-F242 HydrophobicContact CE2-CB 4.36Å; F101-F242 HydrophobicContact CE2-CD1 4.02Å; F101-F242 HydrophobicContact CG-CD1 4.03Å; F101-F242 HydrophobicContact CG-CE1 4.31Å; F101-F242 HydrophobicContact CZ-CD1 4.34Å; F108-F242 HydrophobicContact CD2-CB 3.95Å; F108-F242 AromaticContact CD2-CD1 3.82Å; F108-F242 HydrophobicContact CD2-CD1 3.82Å; F108-F242 HydrophobicContact CD2-CD2 4.38Å; F108-F242 HydrophobicContact CD2-CE1 4.41Å; F108-F242 AromaticContact CD2-CG 3.81Å; F108-F242 HydrophobicContact CD2-CG 3.81Å; F108-F242 AromaticContact CE2-CD1 3.79Å; F108-F242 HydrophobicContact CE2-CD1 3.79Å; F108-F242 AromaticContact CE2-CE1 3.94Å; F108-F242 HydrophobicContact CE2-CE1 3.94Å; F108-F242 HydrophobicContact CE2-CG 4.15Å; F108-F242 HydrophobicContact CE2-CZ 4.4Å; V113-F242 HydrophobicContact CG2-CB 3.89Å; P139-F242 HydrophobicContact CB-CE1 3.99Å; P139-F242 HydrophobicContact CB-CZ 3.81Å; P139-F242 HydrophobicContact CG-CE1 3.9Å; P139-F242 HydrophobicContact CG-CZ 3.8Å; V238-F242 HydrophobicContact CG1-CD2 4.13Å; V238-F242 HydrophobicContact CG1-CE2 3.44Å; V238-F242 VanDerWaalsContact CG1-CE2 3.44Å; V238-F242 HydrophobicContact CG1-CZ 3.76Å; V238-F242 WeakPolarHBondContact O-CD2 3.35Å; V238-F242 PolarHBondContact O-N 3Å; V238-F242 VanDerWaalsContact O-N 3.1Å; L239-F242 PolarHBondContact O-N 3.25Å; F242-R244 PolarHBondContact O-N 3.19Å
243N98.6Very high97.9Very high19 Ų1930.7 Ų30.710%0.10218%0.175CC..Hα-helixtrans-61.9-41.6176.8-82.4-19.3000112.7L239 M240 F280 F284L239-N243 PolarHBondContact O-N 3.37Å; M240-N243 HydrophobicContact CE-CB 4.47Å; M240-N243 PolarHBondContact O-N 3.46Å; N243-F280 HydrophobicContact CB-CD1 3.8Å; N243-F280 HydrophobicContact CB-CE1 3.54Å; N243-F280 HydrophobicContact CB-CG 4.41Å; N243-F280 HydrophobicContact CB-CZ 3.95Å; N243-F280 WeakPolarHBondContact O-CE1 3.33Å; N243-F280 VanDerWaalsContact O-CZ 3.25Å; N243-F280 WeakPolarHBondContact O-CZ 3.43Å; N243-F284 WeakPolarHBondContact ND2-CD1 3.47Å; N243-F284 WeakPolarHBondContact ND2-CE1 3.44Å; N243-F284 WeakPolarHBondContact ND2-CZ 3.48Å
244R98.1Very high97.7Very high81 Ų8132.4 Ų32.431%0.30619%0.189SC..Hα-helixtrans-99.3-8.6-169.4-64.1-179.567.879.412.2114.8M240 Y241 F242 S246 L276 F280M240-R244 HydrophobicContact CE-CG 3.94Å; M240-R244 VanDerWaalsContact O-CB 3.23Å; M240-R244 WeakPolarHBondContact O-CB 3.26Å; M240-R244 VanDerWaalsContact O-CG 3.22Å; M240-R244 WeakPolarHBondContact O-CG 3.47Å; M240-R244 PolarHBondContact O-N 2.98Å; Y241-R244 PolarHBondContact O-N 3.29Å; F242-R244 PolarHBondContact O-N 3.19Å; R244-S246 WeakPolarHBondContact CB-O 3.23Å; R244-S246 PolarHBondContact O-N 3.42Å; R244-L276 WeakPolarHBondContact CD-O 3.42Å; R244-L276 PolarHBondContact NH1-O 3.02Å; R244-F280 HydrophobicContact CG-CD2 4.44Å; R244-F280 HydrophobicContact CG-CE2 3.55Å; R244-F280 HydrophobicContact CG-CZ 3.84Å
245T97.6Very high97.5Very high60 Ų6036.7 Ų36.737%0.36823%0.225SC..SBendtrans67.9-24.3-169.5810000115.4R106 Y241R106-T245 PolarHBondContact NH2-O 3.36Å; R106-T245 WeakPolarHBondContact O-CB 3.39Å; R106-T245 WeakPolarHBondContact O-CG2 3.37Å; Y241-T245 WeakPolarHBondContact O-CA 3.25Å; Y241-T245 PolarHBondContact O-N 3.15Å
246S97.9Very high97.4Very high57 Ų5740 Ų4040%0.39925%0.245SC..SBendtrans-154.5155.7172.564.10000112.2R244R244-S246 WeakPolarHBondContact CB-O 3.23Å; R244-S246 PolarHBondContact O-N 3.42Å
247L98.6Very high97Very high4 Ų447 Ų472%0.02128%0.275CS..  trans-95.9148.5173.8-65.9166.1000110.7R214 Y215 M240 Y241 W249 Q250 L276R214-L247 HydrophobicContact CG-CD1 4.06Å; Y215-L247 HydrophobicContact CD1-CD1 4.19Å; Y215-L247 HydrophobicContact CE1-CD1 4.16Å; M240-L247 HydrophobicContact CB-CD2 4.17Å; Y241-L247 HydrophobicContact CD2-CG 4.42Å; L247-W249 HydrophobicContact CB-CD2 4.13Å; L247-W249 HydrophobicContact CB-CZ2 3.97Å; L247-W249 HydrophobicContact CD1-CZ2 3.71Å; L247-W249 HydrophobicContact CD2-CH2 4.18Å; L247-W249 HydrophobicContact CD2-CZ2 3.9Å; L247-W249 HydrophobicContact CG-CZ2 4.06Å; L247-W249 PolarHBondContact O-N 3.04Å; L247-Q250 HydrophobicContact CB-CG 4.26Å; L247-Q250 WeakPolarHBondContact O-CB 3.17Å; L247-Q250 PolarHBondContact O-N 3.41Å; L247-L276 HydrophobicContact CD2-CD1 4.16Å
248P98.3Very high96.6Very high46 Ų4654.1 Ų54.130%0.29931%0.306SS..THydrogen-bonded Turntrans-59.9-17.3-175.9-26.235.7000115.9T271 L276P248-T271 HydrophobicContact CG-CG2 4.36Å; P248-L276 HydrophobicContact CG-CD1 3.89Å
249W98.4Very high96.4Very high4 Ų458.1 Ų58.12%0.01533%0.325CS..THydrogen-bonded Turntrans-100.612.5177.651.883.1000113.4R214 Y237 L247 L252 I264 K267 K268 L276R214-W249 PolarHBondContact O-NE1 3.14Å; Y237-W249 AromaticContact CD1-CH2 3.58Å; Y237-W249 HydrophobicContact CD1-CH2 3.58Å; Y237-W249 AromaticContact CD1-CZ2 3.71Å; Y237-W249 HydrophobicContact CD1-CZ2 3.71Å; Y237-W249 AromaticContact CE1-CH2 3.7Å; Y237-W249 HydrophobicContact CE1-CH2 3.7Å; Y237-W249 HydrophobicContact CE1-CZ2 4.13Å; Y237-W249 HydrophobicContact CG-CH2 4.32Å; Y237-W249 AromaticContact CG-CZ2 3.97Å; Y237-W249 HydrophobicContact CG-CZ2 3.97Å; L247-W249 HydrophobicContact CB-CD2 4.13Å; L247-W249 HydrophobicContact CB-CZ2 3.97Å; L247-W249 HydrophobicContact CD1-CZ2 3.71Å; L247-W249 HydrophobicContact CD2-CH2 4.18Å; L247-W249 HydrophobicContact CD2-CZ2 3.9Å; L247-W249 HydrophobicContact CG-CZ2 4.06Å; L247-W249 PolarHBondContact O-N 3.04Å; W249-L252 HydrophobicContact CB-CD1 4.12Å; W249-I264 HydrophobicContact CB-CG2 4.23Å; W249-I264 HydrophobicContact CG-CG2 4.15Å; W249-K267 HydrophobicContact CB-CB 3.98Å; W249-K267 HydrophobicContact CB-CG 3.9Å; W249-K268 HydrophobicContact CD2-CD 4.42Å; W249-K268 HydrophobicContact CD2-CG 3.62Å; W249-K268 HydrophobicContact CE3-CG 3.63Å; W249-K268 HydrophobicContact CG-CG 4.15Å; W249-K268 HydrophobicContact CH2-CG 4.13Å; W249-K268 HydrophobicContact CZ2-CD 4.4Å; W249-K268 HydrophobicContact CZ2-CG 4.12Å; W249-K268 HydrophobicContact CZ3-CG 3.9Å; W249-K268 VanDerWaalsContact NE1-CE 3.27Å; W249-L276 HydrophobicContact CH2-CD1 4.28Å; W249-L276 HydrophobicContact CH2-CD2 3.93Å; W249-L276 HydrophobicContact CZ3-CD1 4.3Å; W249-L276 HydrophobicContact CZ3-CD2 4.36Å
250Q96.8Very high96.2Very high53 Ų5362.6 Ų62.625%0.24834%0.344CS..THydrogen-bonded Turntrans-80.2153.1169.8-73.2-176.9-114.100111.7R214 L247 L252R214-Q250 HydrophobicContact CG-CG 4.24Å; L247-Q250 HydrophobicContact CB-CG 4.26Å; L247-Q250 WeakPolarHBondContact O-CB 3.17Å; L247-Q250 PolarHBondContact O-N 3.41Å; Q250-L252 PolarHBondContact O-N 3.31Å
251G94Very high96Very high75 Ų7565.6 Ų65.677%0.77336%0.356SS*.THydrogen-bonded Turntrans75.41175.700000115.7K253G251-K253 PolarHBondContact O-N 3.06Å
252L94.5Very high95.8Very high50 Ų5069.6 Ų69.626%0.26237%0.374SS..  trans-62.9123.5177.9-58-179.8000111.1W249 Q250 K260 K263 I264 K267W249-L252 HydrophobicContact CB-CD1 4.12Å; Q250-L252 PolarHBondContact O-N 3.31Å; L252-K260 WeakPolarHBondContact O-CE 3.48Å; L252-K263 HydrophobicContact CD1-CB 4.18Å; L252-I264 HydrophobicContact CD1-CG1 4.17Å; L252-K267 HydrophobicContact CD1-CB 4.1Å; L252-K267 HydrophobicContact CD1-CG 4.46Å
253K94.4Very high95.7Very high183 Ų18373.9 Ų73.980%0.79639%0.393SS*.  trans-89.5139.6178.2-63.1-175.2-179.5-179.90110.9G251 K263G251-K253 PolarHBondContact O-N 3.06Å; K253-K263 PolarHBondContact O-NZ 3.07Å
254A94.8Very high95.7Very high38 Ų3873.6 Ų73.631%0.31439%0.391SS..  trans-153.7157.7174.400000109.7Q259 K260 K263A254-Q259 HydrophobicContact CB-CB 3.84Å; A254-K260 HydrophobicContact CB-CB 3.86Å; A254-K260 HydrophobicContact CB-CG 4.49Å; A254-K263 HydrophobicContact CB-CD 4.35Å
255A95.1Very high95.6Very high95 Ų9570.3 Ų70.379%0.78538%0.381SS*.SBendtrans-75.6-35.4-179.400000111.9
256T95.6Very high95.6Very high70 Ų7073.4 Ų73.443%0.42939%0.391SS..SBendtrans-121.2159.7179.774.10000112.2K258 Q259 K260T256-K258 VanDerWaalsContact C-N 3.29Å; T256-K258 PolarHBondContact O-N 2.68Å; T256-Q259 PolarHBondContact O-N 2.57Å; T256-Q259 WeakPolarHBondContact OG1-CB 3.39Å; T256-Q259 WeakPolarHBondContact OG1-CG 3.43Å; T256-Q259 PolarHBondContact OG1-N 2.95Å; T256-K260 PolarHBondContact O-N 3.04Å
257K90.6Very high95.6Very high147 Ų14774.8 Ų74.864%0.63939%0.39SS*.Hα-helixtrans-60.5-39.1175-172.4177.7178.3-177.70111.8K260 Y261K257-K260 WeakPolarHBondContact O-CB 3.36Å; K257-K260 PolarHBondContact O-N 3.44Å; K257-Y261 HydrophobicContact CD-CE2 4.44Å; K257-Y261 WeakPolarHBondContact CE-OH 3.45Å; K257-Y261 HydrophobicContact CG-CE1 4.04Å; K257-Y261 HydrophobicContact CG-CE2 4.07Å; K257-Y261 WeakPolarHBondContact O-CD1 3.48Å; K257-Y261 PolarHBondContact O-N 2.61Å
258K91.1Very high95.6Very high151 Ų15174.6 Ų74.666%0.65739%0.389SS*.Hα-helixtrans-61.7-52.2177-175.9178.5175.1-177.10111.1T256 K260 Y261 E262T256-K258 VanDerWaalsContact C-N 3.29Å; T256-K258 PolarHBondContact O-N 2.68Å; K258-K260 PolarHBondContact O-N 3.14Å; K258-Y261 WeakPolarHBondContact O-CB 3.47Å; K258-Y261 PolarHBondContact O-N 3.43Å; K258-E262 WeakPolarHBondContact CE-OE1 3.19Å; K258-E262 WeakPolarHBondContact CG-OE1 3.35Å; K258-E262 WeakPolarHBondContact O-CG 3.34Å; K258-E262 PolarHBondContact O-N 3.28Å
259Q94.5Very high95.6Very high83 Ų8377.5 Ų77.539%0.38840%0.4SS..Hα-helixtrans-59.5-36175.5-72.4172.4-300112.6A254 T256 Y261 E262 K263A254-Q259 HydrophobicContact CB-CB 3.84Å; T256-Q259 PolarHBondContact O-N 2.57Å; T256-Q259 WeakPolarHBondContact OG1-CB 3.39Å; T256-Q259 WeakPolarHBondContact OG1-CG 3.43Å; T256-Q259 PolarHBondContact OG1-N 2.95Å; Q259-Y261 VanDerWaalsContact C-N 3.3Å; Q259-Y261 PolarHBondContact O-N 2.94Å; Q259-E262 WeakPolarHBondContact CA-OE2 3.22Å; Q259-K263 WeakPolarHBondContact O-CG 3.35Å; Q259-K263 PolarHBondContact O-N 3.13Å
260K94.9Very high95.6Very high96 Ų9681.1 Ų81.142%0.41743%0.426SS..Hα-helixtrans-62.9-40.3175.2-166.1173.3-176.9172.80111.5L252 A254 T256 K257 K258 I264L252-K260 WeakPolarHBondContact O-CE 3.48Å; A254-K260 HydrophobicContact CB-CB 3.86Å; A254-K260 HydrophobicContact CB-CG 4.49Å; T256-K260 PolarHBondContact O-N 3.04Å; K257-K260 WeakPolarHBondContact O-CB 3.36Å; K257-K260 PolarHBondContact O-N 3.44Å; K258-K260 PolarHBondContact O-N 3.14Å; K260-I264 HydrophobicContact CG-CD1 4.25Å; K260-I264 WeakPolarHBondContact O-CD1 3.43Å; K260-I264 VanDerWaalsContact O-CG1 3.25Å; K260-I264 WeakPolarHBondContact O-CG1 3.36Å; K260-I264 PolarHBondContact O-N 3.4Å; K260-I264 VanDerWaalsContact O-N 3.09Å
261Y94.1Very high95.6Very high64 Ų6479 Ų7925%0.25142%0.417SS..Hα-helixtrans-70.6-41.6179.6-68.1-3.2000111.4L209 A213 K257 K258 Q259 K263 I264 S265L209-Y261 HydrophobicContact CD2-CD2 3.69Å; L209-Y261 HydrophobicContact CD2-CE2 3.91Å; L209-Y261 HydrophobicContact CD2-CG 4.11Å; A213-Y261 HydrophobicContact CB-CD1 3.63Å; A213-Y261 HydrophobicContact CB-CE1 3.43Å; A213-Y261 VanDerWaalsContact CB-CE1 3.43Å; A213-Y261 HydrophobicContact CB-CG 4.28Å; K257-Y261 HydrophobicContact CD-CE2 4.44Å; K257-Y261 WeakPolarHBondContact CE-OH 3.45Å; K257-Y261 HydrophobicContact CG-CE1 4.04Å; K257-Y261 HydrophobicContact CG-CE2 4.07Å; K257-Y261 WeakPolarHBondContact O-CD1 3.48Å; K257-Y261 PolarHBondContact O-N 2.61Å; K258-Y261 WeakPolarHBondContact O-CB 3.47Å; K258-Y261 PolarHBondContact O-N 3.43Å; Q259-Y261 VanDerWaalsContact C-N 3.3Å; Q259-Y261 PolarHBondContact O-N 2.94Å; Y261-K263 PolarHBondContact O-N 3.31Å; Y261-I264 PolarHBondContact O-N 3.07Å; Y261-S265 WeakPolarHBondContact O-CB 3.4Å; Y261-S265 PolarHBondContact O-N 3.36Å
262E94.5Very high95.8Very high84 Ų8478.5 Ų78.539%0.39340%0.4SS..Hα-helixtrans-55.8-50.9172.2-70.4162.7179.600111.1K258 Q259 I264 S265 E266K258-E262 WeakPolarHBondContact CE-OE1 3.19Å; K258-E262 WeakPolarHBondContact CG-OE1 3.35Å; K258-E262 WeakPolarHBondContact O-CG 3.34Å; K258-E262 PolarHBondContact O-N 3.28Å; Q259-E262 WeakPolarHBondContact CA-OE2 3.22Å; E262-I264 VanDerWaalsContact C-N 3.32Å; E262-I264 PolarHBondContact O-N 3.01Å; E262-S265 WeakPolarHBondContact O-CB 3.45Å; E262-S265 PolarHBondContact O-N 3.05Å; E262-S265 VanDerWaalsContact O-N 3.1Å; E262-E266 WeakPolarHBondContact O-CG 3.38Å; E262-E266 PolarHBondContact O-N 3.43Å
263K97.6Very high96Very high92 Ų9276.2 Ų76.240%0.439%0.388SS..Hα-helixtrans-60-38.2176.5-72.3-173.5-176.9-170.10113.7L252 K253 A254 Q259 Y261 K267L252-K263 HydrophobicContact CD1-CB 4.18Å; K253-K263 PolarHBondContact O-NZ 3.07Å; A254-K263 HydrophobicContact CB-CD 4.35Å; Q259-K263 WeakPolarHBondContact O-CG 3.35Å; Q259-K263 PolarHBondContact O-N 3.13Å; Y261-K263 PolarHBondContact O-N 3.31Å; K263-K267 VanDerWaalsContact O-CB 3.28Å; K263-K267 WeakPolarHBondContact O-CB 3.4Å; K263-K267 PolarHBondContact O-N 2.96Å
264I97.9Very high96.2Very high12 Ų1272.7 Ų72.76%0.06237%0.374CS..Hα-helixtrans-66.3-44.2175.9-70.6165.6000110A213 W249 L252 K260 Y261 E262 K267 K268A213-I264 HydrophobicContact CB-CD1 4.23Å; W249-I264 HydrophobicContact CB-CG2 4.23Å; W249-I264 HydrophobicContact CG-CG2 4.15Å; L252-I264 HydrophobicContact CD1-CG1 4.17Å; K260-I264 HydrophobicContact CG-CD1 4.25Å; K260-I264 WeakPolarHBondContact O-CD1 3.43Å; K260-I264 VanDerWaalsContact O-CG1 3.25Å; K260-I264 WeakPolarHBondContact O-CG1 3.36Å; K260-I264 PolarHBondContact O-N 3.4Å; K260-I264 VanDerWaalsContact O-N 3.09Å; Y261-I264 PolarHBondContact O-N 3.07Å; E262-I264 VanDerWaalsContact C-N 3.32Å; E262-I264 PolarHBondContact O-N 3.01Å; I264-K267 PolarHBondContact O-N 3.25Å; I264-K268 HydrophobicContact CG2-CD 4.26Å; I264-K268 WeakPolarHBondContact O-CG 3.48Å; I264-K268 PolarHBondContact O-N 3.32Å
265S97Very high96.4Very high13 Ų1374.9 Ų74.99%0.09138%0.384CS..Hα-helixtrans-58.7-54177.7-174.40000111.3H221 Y261 E262 K267 K268 M269H221-S265 WeakPolarHBondContact CB-OG 3.32Å; Y261-S265 WeakPolarHBondContact O-CB 3.4Å; Y261-S265 PolarHBondContact O-N 3.36Å; E262-S265 WeakPolarHBondContact O-CB 3.45Å; E262-S265 PolarHBondContact O-N 3.05Å; E262-S265 VanDerWaalsContact O-N 3.1Å; S265-K267 VanDerWaalsContact C-N 3.28Å; S265-K267 PolarHBondContact O-N 3.03Å; S265-K268 WeakPolarHBondContact O-CB 3.33Å; S265-K268 PolarHBondContact O-N 3.31Å; S265-M269 WeakPolarHBondContact O-CG 3.34Å; S265-M269 PolarHBondContact O-N 2.9Å
266E97.6Very high96.6Very high125 Ų12570.5 Ų70.558%0.58435%0.347SS*.Hα-helixtrans-55.4-44176.9-71.7170.2-174.800111.4E262 K268 M269 S270E262-E266 WeakPolarHBondContact O-CG 3.38Å; E262-E266 PolarHBondContact O-N 3.43Å; E266-K268 PolarHBondContact O-N 3.01Å; E266-M269 PolarHBondContact O-N 2.94Å; E266-S270 VanDerWaalsContact O-CB 3.32Å; E266-S270 WeakPolarHBondContact O-CB 3.13Å; E266-S270 PolarHBondContact O-N 3.44Å; E266-S270 PolarHBondContact O-OG 3.38Å
267K98.3Very high96.7Very high86 Ų8667.5 Ų67.537%0.37433%0.329SS..Hα-helixtrans-67.7-34.4179.2-169.159.1175.3176.70112.6W249 L252 K263 I264 S265 S270 T271W249-K267 HydrophobicContact CB-CB 3.98Å; W249-K267 HydrophobicContact CB-CG 3.9Å; L252-K267 HydrophobicContact CD1-CB 4.1Å; L252-K267 HydrophobicContact CD1-CG 4.46Å; K263-K267 VanDerWaalsContact O-CB 3.28Å; K263-K267 WeakPolarHBondContact O-CB 3.4Å; K263-K267 PolarHBondContact O-N 2.96Å; I264-K267 PolarHBondContact O-N 3.25Å; S265-K267 VanDerWaalsContact C-N 3.28Å; S265-K267 PolarHBondContact O-N 3.03Å; K267-S270 WeakPolarHBondContact CA-OG 2.83Å; K267-S270 PolarHBondContact O-OG 3.41Å; K267-T271 VanDerWaalsContact O-CB 3.32Å; K267-T271 WeakPolarHBondContact O-CB 3.41Å; K267-T271 PolarHBondContact O-N 3.17Å; K267-T271 PolarHBondContact O-OG1 3.29Å
268K98.5Very high97.1Very high0 Ų068.5 Ų68.50%033%0.333CS..Hα-helixtrans-67.5-44.6174.5-77.9-178.5174.6-171.20111.9A213 R214 A216 I218 W249 I264 S265 E266 T271A213-K268 PolarHBondContact O-NZ 3.32Å; R214-K268 WeakPolarHBondContact O-CE 3.48Å; R214-K268 PolarHBondContact O-NZ 2.81Å; A216-K268 PolarHBondContact O-NZ 3.14Å; I218-K268 HydrophobicContact CG1-CB 4.11Å; W249-K268 HydrophobicContact CD2-CD 4.42Å; W249-K268 HydrophobicContact CD2-CG 3.62Å; W249-K268 HydrophobicContact CE3-CG 3.63Å; W249-K268 HydrophobicContact CG-CG 4.15Å; W249-K268 HydrophobicContact CH2-CG 4.13Å; W249-K268 HydrophobicContact CZ2-CD 4.4Å; W249-K268 HydrophobicContact CZ2-CG 4.12Å; W249-K268 HydrophobicContact CZ3-CG 3.9Å; W249-K268 VanDerWaalsContact NE1-CE 3.27Å; I264-K268 HydrophobicContact CG2-CD 4.26Å; I264-K268 WeakPolarHBondContact O-CG 3.48Å; I264-K268 PolarHBondContact O-N 3.32Å; S265-K268 WeakPolarHBondContact O-CB 3.33Å; S265-K268 PolarHBondContact O-N 3.31Å; E266-K268 PolarHBondContact O-N 3.01Å; K268-T271 PolarHBondContact O-N 3.19Å
269M96.9Very high97.4Very high106 Ų10665.1 Ų65.152%0.52234%0.342SS..Hα-helixtrans-67.1-40179.4-67.3176.57200111.9I218 L222 S265 E266 T271I218-M269 HydrophobicContact CD1-CG 4.48Å; I218-M269 HydrophobicContact CG2-CG 3.78Å; I218-M269 HydrophobicContact CG2-SD 4.37Å; L222-M269 HydrophobicContact CD2-CE 4.45Å; L222-M269 HydrophobicContact CD2-SD 4.04Å; S265-M269 WeakPolarHBondContact O-CG 3.34Å; S265-M269 PolarHBondContact O-N 2.9Å; E266-M269 PolarHBondContact O-N 2.94Å; M269-T271 VanDerWaalsContact C-N 3.31Å; M269-T271 PolarHBondContact O-N 3.2Å
270S97.9Very high97.6Very high80 Ų8064.1 Ų64.156%0.55934%0.336SS*.THydrogen-bonded Turntrans-80.9-3.3179.259.10000114.8E266 K267 P272E266-S270 VanDerWaalsContact O-CB 3.32Å; E266-S270 WeakPolarHBondContact O-CB 3.13Å; E266-S270 PolarHBondContact O-N 3.44Å; E266-S270 PolarHBondContact O-OG 3.38Å; K267-S270 WeakPolarHBondContact CA-OG 2.83Å; K267-S270 PolarHBondContact O-OG 3.41Å; S270-P272 VanDerWaalsContact O-CD 3.31Å; S270-P272 WeakPolarHBondContact O-CD 3.4Å
271T98.4Very high97.8Very high9 Ų961.1 Ų61.16%0.05533%0.326CS..SBendtrans-104103175.3-55.70000109.3P248 K267 K268 M269 V275 L276P248-T271 HydrophobicContact CG-CG2 4.36Å; K267-T271 VanDerWaalsContact O-CB 3.32Å; K267-T271 WeakPolarHBondContact O-CB 3.41Å; K267-T271 PolarHBondContact O-N 3.17Å; K267-T271 PolarHBondContact O-OG1 3.29Å; K268-T271 PolarHBondContact O-N 3.19Å; M269-T271 VanDerWaalsContact C-N 3.31Å; M269-T271 PolarHBondContact O-N 3.2Å; T271-V275 HydrophobicContact CG2-CB 4.42Å; T271-V275 HydrophobicContact CG2-CG1 4.28Å; T271-L276 HydrophobicContact CG2-CB 4.22Å
272P98.3Very high98Very high65 Ų6561.2 Ų61.242%0.42234%0.34SS..  trans-57.3151.8174.4-24.133.6000112.1S270 E274 V275 L276S270-P272 VanDerWaalsContact O-CD 3.31Å; S270-P272 WeakPolarHBondContact O-CD 3.4Å; P272-E274 PolarHBondContact O-N 3.47Å; P272-V275 HydrophobicContact CB-CB 4.42Å; P272-V275 HydrophobicContact CB-CG2 4.08Å; P272-V275 HydrophobicContact CG-CG2 4.05Å; P272-V275 WeakPolarHBondContact O-CB 3.1Å; P272-V275 PolarHBondContact O-N 3.5Å; P272-V275 VanDerWaalsContact O-N 3.1Å; P272-L276 PolarHBondContact O-N 3.22Å
273V98.6Very high98.2Very high2 Ų259.1 Ų59.11%0.01233%0.33CS..Hα-helixtrans-61.1-37.8-179.1173.50000110.7V275 L276 C277 A285 L288 N289 R292V273-V275 VanDerWaalsContact C-N 3.29Å; V273-V275 PolarHBondContact O-N 2.99Å; V273-L276 PolarHBondContact O-N 3.46Å; V273-C277 WeakPolarHBondContact O-CB 3.45Å; V273-C277 PolarHBondContact O-N 3.2Å; V273-C277 PolarHBondContact O-SG 3.44Å; V273-A285 HydrophobicContact CG1-CB 3.84Å; V273-L288 HydrophobicContact CG1-CB 3.66Å; V273-L288 HydrophobicContact CG1-CD1 4.06Å; V273-L288 HydrophobicContact CG2-CB 4.17Å; V273-N289 WeakPolarHBondContact CB-OD1 3.4Å; V273-N289 VanDerWaalsContact CG2-OD1 3.31Å; V273-N289 WeakPolarHBondContact CG2-OD1 3.17Å; V273-R292 VanDerWaalsContact CG2-NH1 3.35Å
274E98.1Very high98.3Very high109 Ų10954.9 Ų54.951%0.50931%0.312SS..Hα-helixtrans-64.8-35.7179-61.766.1-141.200111P272 K278 N289P272-E274 PolarHBondContact O-N 3.47Å; E274-K278 WeakPolarHBondContact O-CA 3.16Å; E274-K278 WeakPolarHBondContact O-CB 3.47Å; E274-K278 PolarHBondContact O-N 3.01Å; E274-N289 PolarHBondContact OE1-ND2 3.09Å
275V98.5Very high98.3Very high84 Ų8455.1 Ų55.151%0.50932%0.316SS..Hα-helixtrans-72.2-43.2174.9176.20000110.7T271 P272 V273 C277 K278T271-V275 HydrophobicContact CG2-CB 4.42Å; T271-V275 HydrophobicContact CG2-CG1 4.28Å; P272-V275 HydrophobicContact CB-CB 4.42Å; P272-V275 HydrophobicContact CB-CG2 4.08Å; P272-V275 HydrophobicContact CG-CG2 4.05Å; P272-V275 WeakPolarHBondContact O-CB 3.1Å; P272-V275 PolarHBondContact O-N 3.5Å; P272-V275 VanDerWaalsContact O-N 3.1Å; V273-V275 VanDerWaalsContact C-N 3.29Å; V273-V275 PolarHBondContact O-N 2.99Å; V275-C277 VanDerWaalsContact C-N 3.3Å; V275-C277 PolarHBondContact O-N 3.31Å; V275-K278 PolarHBondContact O-N 3.04Å
276L98.6Very high98.4Very high2 Ų258.5 Ų58.51%0.0133%0.331CS..Hα-helixtrans-61.1-40.6176.2178.362.1000111.6Y237 M240 R244 L247 P248 W249 T271 P272 V273 L288Y237-L276 HydrophobicContact CD1-CD2 4.13Å; Y237-L276 HydrophobicContact CE1-CD2 4.18Å; M240-L276 WeakPolarHBondContact CE-O 3.45Å; M240-L276 HydrophobicContact CG-CD2 4.4Å; M240-L276 HydrophobicContact CG-CG 4.41Å; R244-L276 WeakPolarHBondContact CD-O 3.42Å; R244-L276 PolarHBondContact NH1-O 3.02Å; L247-L276 HydrophobicContact CD2-CD1 4.16Å; P248-L276 HydrophobicContact CG-CD1 3.89Å; W249-L276 HydrophobicContact CH2-CD1 4.28Å; W249-L276 HydrophobicContact CH2-CD2 3.93Å; W249-L276 HydrophobicContact CZ3-CD1 4.3Å; W249-L276 HydrophobicContact CZ3-CD2 4.36Å; T271-L276 HydrophobicContact CG2-CB 4.22Å; P272-L276 PolarHBondContact O-N 3.22Å; V273-L276 PolarHBondContact O-N 3.46Å; L276-L288 HydrophobicContact CD2-CD1 3.87Å
277C98.7Very high98.5Very high8 Ų852.6 Ų52.65%0.05430%0.304CS..THydrogen-bonded Turntrans-93.20.8-175.6-55.70000114M240 V273 V275 G279 F280 A285M240-C277 HydrophobicContact CE-CB 4.29Å; V273-C277 WeakPolarHBondContact O-CB 3.45Å; V273-C277 PolarHBondContact O-N 3.2Å; V273-C277 PolarHBondContact O-SG 3.44Å; V275-C277 VanDerWaalsContact C-N 3.3Å; V275-C277 PolarHBondContact O-N 3.31Å; C277-G279 PolarHBondContact O-N 3.23Å; C277-F280 PolarHBondContact O-N 3.34Å; C277-A285 HydrophobicContact CB-CB 3.99Å
278K98.4Very high98.5Very high167 Ų16748.6 Ų48.673%0.72629%0.286SS*.THydrogen-bonded Turntrans-54.2127-179.9-172.1176.8-178.7177.90111.2E274 V275E274-K278 WeakPolarHBondContact O-CA 3.16Å; E274-K278 WeakPolarHBondContact O-CB 3.47Å; E274-K278 PolarHBondContact O-N 3.01Å; V275-K278 PolarHBondContact O-N 3.04Å
279G98.2Very high98.5Very high81 Ų8151.9 Ų51.984%0.83530%0.304SS*.THydrogen-bonded Turntrans87.73.3-179.300000115.1C277C277-G279 PolarHBondContact O-N 3.23Å
280F98.7Very high98.6Very high61 Ų6149.7 Ų49.727%0.26829%0.29SS..SBendtrans-116.8164.1174.2-62-82.1000110.8M110 M240 N243 R244 C277 F284M110-F280 HydrophobicContact CE-CD1 4.14Å; M240-F280 HydrophobicContact CE-CD2 3.85Å; M240-F280 HydrophobicContact CE-CE2 4.32Å; M240-F280 HydrophobicContact CE-CG 4.32Å; N243-F280 HydrophobicContact CB-CD1 3.8Å; N243-F280 HydrophobicContact CB-CE1 3.54Å; N243-F280 HydrophobicContact CB-CG 4.41Å; N243-F280 HydrophobicContact CB-CZ 3.95Å; N243-F280 WeakPolarHBondContact O-CE1 3.33Å; N243-F280 VanDerWaalsContact O-CZ 3.25Å; N243-F280 WeakPolarHBondContact O-CZ 3.43Å; R244-F280 HydrophobicContact CG-CD2 4.44Å; R244-F280 HydrophobicContact CG-CE2 3.55Å; R244-F280 HydrophobicContact CG-CZ 3.84Å; C277-F280 PolarHBondContact O-N 3.34Å; F280-F284 HydrophobicContact CB-CD2 4.36Å
281P98.7Very high98.6Very high33 Ų3345.9 Ų45.921%0.21426%0.264CS..  trans-53.6143.5176.5-27.336.2000113M110 E283 F284 L312M110-P281 HydrophobicContact CE-CG 3.97Å; M110-P281 HydrophobicContact SD-CG 4.33Å; P281-E283 WeakPolarHBondContact CB-OE2 3.48Å; P281-E283 PolarHBondContact O-N 2.93Å; P281-E283 VanDerWaalsContact O-N 3.12Å; P281-F284 HydrophobicContact CB-CD2 4.26Å; P281-F284 HydrophobicContact CB-CE2 4.36Å; P281-F284 HydrophobicContact CG-CE2 4.27Å; P281-F284 WeakPolarHBondContact O-CD2 3.13Å; P281-F284 PolarHBondContact O-N 3.31Å; P281-L312 HydrophobicContact CB-CD1 3.93Å; P281-L312 HydrophobicContact CB-CD2 3.5Å; P281-L312 HydrophobicContact CB-CG 4.37Å; P281-L312 HydrophobicContact CG-CD1 4.22Å; P281-L312 HydrophobicContact CG-CD2 3.87Å
282A98.6Very high98.6Very high66 Ų6648.9 Ų48.955%0.54527%0.274SS..Hα-helixtrans-61.6-24.2-173.200000112.9F284 A285 M286A282-F284 PolarHBondContact O-N 3.12Å; A282-A285 WeakPolarHBondContact O-CA 3.5Å; A282-A285 WeakPolarHBondContact O-CB 3.18Å; A282-A285 PolarHBondContact O-N 2.95Å; A282-M286 WeakPolarHBondContact O-CG 3.34Å; A282-M286 PolarHBondContact O-N 2.84Å
283E98.8Very high98.6Very high40 Ų4048.6 Ų48.619%0.18728%0.283CS..Hα-helixtrans-53.8-35.2176.7-69.982.1176.900112.7P281 M286 Y287 L308 F309 L312P281-E283 WeakPolarHBondContact CB-OE2 3.48Å; P281-E283 PolarHBondContact O-N 2.93Å; P281-E283 VanDerWaalsContact O-N 3.12Å; E283-M286 PolarHBondContact O-N 3.31Å; E283-Y287 WeakPolarHBondContact O-CB 3.14Å; E283-Y287 PolarHBondContact O-N 3.43Å; E283-L308 HydrophobicContact CB-CD1 4.2Å; E283-L308 HydrophobicContact CB-CD2 4.01Å; E283-L308 HydrophobicContact CB-CG 3.74Å; E283-L308 HydrophobicContact CG-CD1 3.76Å; E283-L308 HydrophobicContact CG-CD2 4.47Å; E283-L308 HydrophobicContact CG-CG 3.7Å; E283-L308 WeakPolarHBondContact O-CD2 3.5Å; E283-F309 HydrophobicContact CB-CD1 4.19Å; E283-F309 HydrophobicContact CB-CE1 4.07Å; E283-L312 HydrophobicContact CB-CD2 4.06Å; E283-L312 HydrophobicContact CG-CB 4.04Å; E283-L312 HydrophobicContact CG-CD2 4.06Å
284F98.9Very high98.7Very high4 Ų448.9 Ų48.92%0.01828%0.284CS..Hα-helixtrans-68.2-37.7176.7-68.9-82.9000112.3M110 V113 L114 L239 M240 N243 F280 P281 A282 L288 F309 L312M110-F284 HydrophobicContact CE-CE2 3.82Å; M110-F284 HydrophobicContact CE-CZ 4.24Å; M110-F284 HydrophobicContact SD-CE2 3.55Å; M110-F284 VanDerWaalsContact SD-CE2 3.55Å; M110-F284 HydrophobicContact SD-CZ 3.65Å; V113-F284 HydrophobicContact CG1-CE1 4.04Å; V113-F284 HydrophobicContact CG1-CZ 4.05Å; L114-F284 HydrophobicContact CD2-CZ 4.07Å; L239-F284 HydrophobicContact CB-CD1 4.37Å; L239-F284 HydrophobicContact CB-CE1 4.13Å; M240-F284 HydrophobicContact SD-CB 3.62Å; M240-F284 HydrophobicContact SD-CD1 3.85Å; M240-F284 HydrophobicContact SD-CG 3.85Å; N243-F284 WeakPolarHBondContact ND2-CD1 3.47Å; N243-F284 WeakPolarHBondContact ND2-CE1 3.44Å; N243-F284 WeakPolarHBondContact ND2-CZ 3.48Å; F280-F284 HydrophobicContact CB-CD2 4.36Å; P281-F284 HydrophobicContact CB-CD2 4.26Å; P281-F284 HydrophobicContact CB-CE2 4.36Å; P281-F284 HydrophobicContact CG-CE2 4.27Å; P281-F284 WeakPolarHBondContact O-CD2 3.13Å; P281-F284 PolarHBondContact O-N 3.31Å; A282-F284 PolarHBondContact O-N 3.12Å; F284-L288 PolarHBondContact O-N 3.46Å; F284-F309 AromaticContact CD1-CE1 3.84Å; F284-F309 HydrophobicContact CD1-CE1 3.84Å; F284-F309 HydrophobicContact CD1-CZ 4.03Å; F284-F309 HydrophobicContact CD2-CE1 4.42Å; F284-F309 AromaticContact CE1-CE1 3.77Å; F284-F309 HydrophobicContact CE1-CE1 3.77Å; F284-F309 HydrophobicContact CE1-CZ 4.11Å; F284-F309 HydrophobicContact CE2-CE1 4.35Å; F284-F309 HydrophobicContact CG-CE1 4.17Å; F284-F309 HydrophobicContact CZ-CE1 4.04Å; F284-L312 HydrophobicContact CE2-CD2 4.42Å
285A98.8Very high98.7Very high16 Ų1651.5 Ų51.513%0.13229%0.289CS..Hα-helixtrans-69.9-43.6174.400000110.9V273 C277 A282 Y287 L288 N289V273-A285 HydrophobicContact CG1-CB 3.84Å; C277-A285 HydrophobicContact CB-CB 3.99Å; A282-A285 WeakPolarHBondContact O-CA 3.5Å; A282-A285 WeakPolarHBondContact O-CB 3.18Å; A282-A285 PolarHBondContact O-N 2.95Å; A285-Y287 VanDerWaalsContact C-N 3.31Å; A285-Y287 PolarHBondContact O-N 3.3Å; A285-L288 PolarHBondContact O-N 2.97Å; A285-N289 WeakPolarHBondContact O-CB 3.03Å; A285-N289 PolarHBondContact O-N 3.43Å; A285-N289 PolarHBondContact O-ND2 3.02Å
286M98.8Very high98.7Very high85 Ų8548.3 Ų48.342%0.41927%0.269SS..Hα-helixtrans-57.7-43.1174.9-68.5173.37000111.8A282 E283 Y290 L308A282-M286 WeakPolarHBondContact O-CG 3.34Å; A282-M286 PolarHBondContact O-N 2.84Å; E283-M286 PolarHBondContact O-N 3.31Å; M286-Y290 VanDerWaalsContact O-CB 3.23Å; M286-Y290 WeakPolarHBondContact O-CB 3.49Å; M286-Y290 PolarHBondContact O-N 3.45Å; M286-L308 HydrophobicContact CB-CD1 4.44Å; M286-L308 HydrophobicContact CB-CD2 3.98Å; M286-L308 HydrophobicContact CE-CD1 3.67Å; M286-L308 HydrophobicContact SD-CD1 3.94Å
287Y98.9Very high98.7Very high1 Ų153.7 Ų53.70%0.00429%0.294CS..Hα-helixtrans-59.2-50.9175.5178.6-77.8000111.7I121 M232 E283 A285 Y290 C291 L305 F309I121-Y287 HydrophobicContact CD1-CE2 4.07Å; I121-Y287 HydrophobicContact CG1-CE2 4.4Å; M232-Y287 HydrophobicContact CE-CE2 4.5Å; M232-Y287 WeakPolarHBondContact CE-OH 3.42Å; M232-Y287 VanDerWaalsContact O-CE1 3.25Å; M232-Y287 WeakPolarHBondContact O-CE1 3.47Å; M232-Y287 PolarHBondContact O-OH 3.1Å; E283-Y287 WeakPolarHBondContact O-CB 3.14Å; E283-Y287 PolarHBondContact O-N 3.43Å; A285-Y287 VanDerWaalsContact C-N 3.31Å; A285-Y287 PolarHBondContact O-N 3.3Å; Y287-Y290 WeakPolarHBondContact O-CB 3.46Å; Y287-Y290 PolarHBondContact O-N 3.03Å; Y287-C291 VanDerWaalsContact CE1-SG 3.51Å; Y287-C291 PolarHBondContact O-N 3.42Å; Y287-C291 PolarHBondContact O-SG 2.63Å; Y287-L305 HydrophobicContact CD2-CB 4.18Å; Y287-L305 HydrophobicContact CD2-CD1 4.44Å; Y287-L305 HydrophobicContact CD2-CD2 3.62Å; Y287-L305 HydrophobicContact CD2-CG 4.3Å; Y287-L305 HydrophobicContact CE2-CB 4.06Å; Y287-L305 HydrophobicContact CE2-CD1 3.96Å; Y287-L305 HydrophobicContact CE2-CD2 4Å; Y287-L305 HydrophobicContact CE2-CG 4.23Å; Y287-L305 HydrophobicContact CG-CD2 4.28Å; Y287-F309 AromaticContact CD2-CE2 3.49Å; Y287-F309 HydrophobicContact CD2-CE2 3.49Å; Y287-F309 VanDerWaalsContact CD2-CE2 3.49Å; Y287-F309 AromaticContact CD2-CZ 3.87Å; Y287-F309 HydrophobicContact CD2-CZ 3.87Å; Y287-F309 HydrophobicContact CE2-CE2 4.06Å; Y287-F309 HydrophobicContact CG-CE2 4.13Å; Y287-F309 HydrophobicContact CG-CZ 4.03Å
288L98.9Very high98.7Very high1 Ų155.9 Ų55.91%0.00530%0.303CS..Hα-helixtrans-66.8-42.8-178-81.2168.3000112.2Y237 M240 V273 L276 F284 A285 Y290 C291 R292Y237-L288 HydrophobicContact CD1-CD2 4.16Å; Y237-L288 HydrophobicContact CE1-CD2 3.99Å; M240-L288 HydrophobicContact CG-CD1 4.09Å; V273-L288 HydrophobicContact CG1-CB 3.66Å; V273-L288 HydrophobicContact CG1-CD1 4.06Å; V273-L288 HydrophobicContact CG2-CB 4.17Å; L276-L288 HydrophobicContact CD2-CD1 3.87Å; F284-L288 PolarHBondContact O-N 3.46Å; A285-L288 PolarHBondContact O-N 2.97Å; L288-Y290 VanDerWaalsContact C-N 3.33Å; L288-C291 PolarHBondContact O-N 3.2Å; L288-R292 WeakPolarHBondContact O-CB 3.31Å; L288-R292 WeakPolarHBondContact O-CG 3.35Å; L288-R292 PolarHBondContact O-N 3.2Å
289N98.8Very high98.7Very high70 Ų7050.7 Ų50.737%0.37429%0.291SS..Hα-helixtrans-63.2-40.6176-76-24.4000111.1V273 E274 A285 R292 G293V273-N289 WeakPolarHBondContact CB-OD1 3.4Å; V273-N289 VanDerWaalsContact CG2-OD1 3.31Å; V273-N289 WeakPolarHBondContact CG2-OD1 3.17Å; E274-N289 PolarHBondContact OE1-ND2 3.09Å; A285-N289 WeakPolarHBondContact O-CB 3.03Å; A285-N289 PolarHBondContact O-N 3.43Å; A285-N289 PolarHBondContact O-ND2 3.02Å; N289-R292 PolarHBondContact O-N 3.44Å; N289-G293 PolarHBondContact O-N 2.92Å
290Y98.9Very high98.7Very high60 Ų6047.1 Ų47.124%0.23525%0.253CS..Hα-helixtrans-57.5-51.8172.1177.9-86.4000111.6M286 Y287 L288 R292 G293 L294 D301 Y304 L305M286-Y290 VanDerWaalsContact O-CB 3.23Å; M286-Y290 WeakPolarHBondContact O-CB 3.49Å; M286-Y290 PolarHBondContact O-N 3.45Å; Y287-Y290 WeakPolarHBondContact O-CB 3.46Å; Y287-Y290 PolarHBondContact O-N 3.03Å; L288-Y290 VanDerWaalsContact C-N 3.33Å; Y290-R292 VanDerWaalsContact C-N 3.33Å; Y290-R292 PolarHBondContact O-N 2.86Å; Y290-G293 PolarHBondContact O-N 2.99Å; Y290-G293 VanDerWaalsContact O-N 3.12Å; Y290-L294 HydrophobicContact CD1-CD1 4.37Å; Y290-L294 HydrophobicContact CD1-CG 4.45Å; Y290-L294 HydrophobicContact CE1-CD1 3.96Å; Y290-L294 HydrophobicContact CE1-CD2 3.93Å; Y290-L294 HydrophobicContact CE1-CG 4.11Å; Y290-L294 PolarHBondContact O-N 3.41Å; Y290-D301 VanDerWaalsContact OH-CB 3.29Å; Y290-D301 WeakPolarHBondContact OH-CB 3.38Å; Y290-D301 PolarHBondContact OH-N 2.75Å; Y290-Y304 AromaticContact CD2-CD1 3.95Å; Y290-Y304 HydrophobicContact CD2-CD1 3.95Å; Y290-Y304 AromaticContact CD2-CE1 3.63Å; Y290-Y304 HydrophobicContact CD2-CE1 3.63Å; Y290-Y304 AromaticContact CE2-CD1 3.91Å; Y290-Y304 HydrophobicContact CE2-CD1 3.91Å; Y290-Y304 HydrophobicContact CE2-CE1 4.07Å; Y290-Y304 HydrophobicContact CG-CD1 4.44Å; Y290-Y304 HydrophobicContact CG-CE1 4.09Å; Y290-L305 HydrophobicContact CD1-CD1 3.99Å; Y290-L305 HydrophobicContact CD1-CD2 3.57Å; Y290-L305 HydrophobicContact CD1-CG 4.08Å; Y290-L305 HydrophobicContact CE1-CD1 3.91Å; Y290-L305 HydrophobicContact CE1-CD2 4.09Å; Y290-L305 HydrophobicContact CE1-CG 4.1Å; Y290-L305 HydrophobicContact CG-CD2 3.94Å
291C98.8Very high98.7Very high0 Ų048.1 Ų48.10%026%0.261CS..Hα-helixtrans-62.4-40.2-177.3-64.20000112.3M232 E233 Y287 L288 G293 L294M232-C291 HydrophobicContact CB-CB 4.48Å; E233-C291 HydrophobicContact CB-CB 4.16Å; Y287-C291 VanDerWaalsContact CE1-SG 3.51Å; Y287-C291 PolarHBondContact O-N 3.42Å; Y287-C291 PolarHBondContact O-SG 2.63Å; L288-C291 PolarHBondContact O-N 3.2Å; C291-G293 VanDerWaalsContact C-N 3.3Å; C291-G293 PolarHBondContact O-N 2.75Å; C291-L294 PolarHBondContact O-N 3.04Å
292R98.4Very high98.7Very high72 Ų7247.5 Ų47.527%0.27226%0.255SS..Hα-helixtrans-69-27.4177-72-180178.3-167.62.5112.9E233 Y237 V273 L288 N289 Y290 L294E233-R292 HydrophobicContact CG-CG 4.46Å; Y237-R292 PolarHBondContact OH-NH2 3.12Å; V273-R292 VanDerWaalsContact CG2-NH1 3.35Å; L288-R292 WeakPolarHBondContact O-CB 3.31Å; L288-R292 WeakPolarHBondContact O-CG 3.35Å; L288-R292 PolarHBondContact O-N 3.2Å; N289-R292 PolarHBondContact O-N 3.44Å; Y290-R292 VanDerWaalsContact C-N 3.33Å; Y290-R292 PolarHBondContact O-N 2.86Å; R292-L294 VanDerWaalsContact C-N 3.34Å
293G98.5Very high98.7Very high59 Ų5950.9 Ų50.961%0.60826%0.261SS*.Hα-helixtrans-78.3-14.1177.100000114.7N289 Y290 C291N289-G293 PolarHBondContact O-N 2.92Å; Y290-G293 PolarHBondContact O-N 2.99Å; Y290-G293 VanDerWaalsContact O-N 3.12Å; C291-G293 VanDerWaalsContact C-N 3.3Å; C291-G293 PolarHBondContact O-N 2.75Å
294L98.8Very high98.7Very high7 Ų753.1 Ų53.14%0.03727%0.268CS..  trans-66.9133.6-180-69.6170.6000111.8R229 Y290 C291 R292 E298 P300R229-L294 HydrophobicContact CB-CB 3.73Å; R229-L294 HydrophobicContact CB-CD1 3.79Å; R229-L294 HydrophobicContact CB-CG 4.43Å; R229-L294 WeakPolarHBondContact CD-O 3.29Å; R229-L294 PolarHBondContact NH1-O 3.47Å; Y290-L294 HydrophobicContact CD1-CD1 4.37Å; Y290-L294 HydrophobicContact CD1-CG 4.45Å; Y290-L294 HydrophobicContact CE1-CD1 3.96Å; Y290-L294 HydrophobicContact CE1-CD2 3.93Å; Y290-L294 HydrophobicContact CE1-CG 4.11Å; Y290-L294 PolarHBondContact O-N 3.41Å; C291-L294 PolarHBondContact O-N 3.04Å; R292-L294 VanDerWaalsContact C-N 3.34Å; L294-E298 WeakPolarHBondContact CA-OE2 3.38Å; L294-E298 HydrophobicContact CD2-CB 4.2Å; L294-E298 HydrophobicContact CD2-CG 3.76Å; L294-P300 HydrophobicContact CD1-CB 4.03Å; L294-P300 HydrophobicContact CD1-CG 3.91Å
295R98.8Very high98.7Very high165 Ų16552.9 Ų52.962%0.62327%0.267SS*.  trans-68.3159.9168.4-60.4-179-61.4-62.9-4.6110.4E297 E298R295-E297 VanDerWaalsContact C-N 3.28Å; R295-E297 PolarHBondContact O-N 3.05Å; R295-E298 HydrophobicContact CB-CB 4.07Å; R295-E298 IonicContact CZ-OE1 2.66Å; R295-E298 VanDerWaalsContact CZ-OE1 3.29Å; R295-E298 IonicContact CZ-OE2 2.83Å; R295-E298 PolarHBondContact N-OE2 3.42Å; R295-E298 IonicContact NH1-OE1 3.04Å; R295-E298 PolarHBondContact NH1-OE1 3.49Å; R295-E298 IonicContact NH1-OE2 2.79Å; R295-E298 PolarHBondContact NH1-OE2 3.26Å; R295-E298 IonicContact NH2-OE1 2.7Å; R295-E298 PolarHBondContact NH2-OE1 2.99Å; R295-E298 IonicContact NH2-OE2 2.64Å; R295-E298 WeakPolarHBondContact O-CB 3.41Å; R295-E298 PolarHBondContact O-N 3.47Å
296F98.7Very high98.7Very high17 Ų1753.3 Ų53.38%0.07527%0.266CS..THydrogen-bonded Turntrans-55.3-40.5-175.6175.8-112.4000113.6H200 I201 Y203 E225 S227H200-F296 AromaticContact CE1-CD1 3.99Å; H200-F296 AromaticContact CE1-CE1 3.57Å; H200-F296 AromaticContact CE1-CZ 3.72Å; H200-F296 AromaticContact ND1-CE1 3.54Å; I201-F296 HydrophobicContact CD1-CZ 4.43Å; I201-F296 HydrophobicContact CG1-CZ 4.16Å; I201-F296 WeakPolarHBondContact O-CE1 3.32Å; Y203-F296 HydrophobicContact CD2-CB 4.19Å; Y203-F296 HydrophobicContact CD2-CD1 4.01Å; Y203-F296 HydrophobicContact CD2-CD2 4.16Å; Y203-F296 HydrophobicContact CD2-CE1 4.42Å; Y203-F296 AromaticContact CD2-CG 3.86Å; Y203-F296 HydrophobicContact CD2-CG 3.86Å; E225-F296 HydrophobicContact CB-CE2 4.34Å; E225-F296 HydrophobicContact CB-CZ 4.33Å; E225-F296 HydrophobicContact CG-CZ 4.34Å; E225-F296 WeakPolarHBondContact O-CE2 3.37Å; S227-F296 WeakPolarHBondContact CB-O 3.28Å; S227-F296 PolarHBondContact OG-O 2.87Å
297E98.6Very high98.7Very high115 Ų11553 Ų5354%0.53726%0.263SS..THydrogen-bonded Turntrans-95.90.5-179.3-52.8-170160.900113.4H200 R228 R295H200-E297 HydrophobicContact CB-CB 4.28Å; H200-E297 HydrophobicContact CB-CG 3.97Å; R228-E297 PolarHBondContact NH2-O 3.15Å; R295-E297 VanDerWaalsContact C-N 3.28Å; R295-E297 PolarHBondContact O-N 3.05Å
298E98.7Very high98.7Very high54 Ų5453.8 Ų53.825%0.25227%0.267SS..PPolyproline II helixtrans-71141.6-174.6-166.7159.9-145.500111.3R228 L294 R295 P300R228-E298 PolarHBondContact NH2-O 3.42Å; L294-E298 WeakPolarHBondContact CA-OE2 3.38Å; L294-E298 HydrophobicContact CD2-CB 4.2Å; L294-E298 HydrophobicContact CD2-CG 3.76Å; R295-E298 HydrophobicContact CB-CB 4.07Å; R295-E298 IonicContact CZ-OE1 2.66Å; R295-E298 VanDerWaalsContact CZ-OE1 3.29Å; R295-E298 IonicContact CZ-OE2 2.83Å; R295-E298 PolarHBondContact N-OE2 3.42Å; R295-E298 IonicContact NH1-OE1 3.04Å; R295-E298 PolarHBondContact NH1-OE1 3.49Å; R295-E298 IonicContact NH1-OE2 2.79Å; R295-E298 PolarHBondContact NH1-OE2 3.26Å; R295-E298 IonicContact NH2-OE1 2.7Å; R295-E298 PolarHBondContact NH2-OE1 2.99Å; R295-E298 IonicContact NH2-OE2 2.64Å; R295-E298 WeakPolarHBondContact O-CB 3.41Å; R295-E298 PolarHBondContact O-N 3.47Å; E298-P300 WeakPolarHBondContact O-CD 3.45Å
299A98.7Very high98.7Very high57 Ų5753.9 Ų53.947%0.47127%0.268SS..PPolyproline II helixtrans-83.1123.9172.800000108.8
300P98.8Very high98.7Very high6 Ų655.8 Ų55.84%0.03927%0.27CS..PPolyproline II helixtrans-59.9139168.7-17.427.6000110.7R228 M232 L294 E298 Y302R228-P300 HydrophobicContact CB-CG 4Å; M232-P300 HydrophobicContact CG-CB 4.12Å; M232-P300 HydrophobicContact CG-CG 3.84Å; L294-P300 HydrophobicContact CD1-CB 4.03Å; L294-P300 HydrophobicContact CD1-CG 3.91Å; E298-P300 WeakPolarHBondContact O-CD 3.45Å; P300-Y302 HydrophobicContact CB-CD1 4.26Å; P300-Y302 HydrophobicContact CB-CE1 3.87Å; P300-Y302 HydrophobicContact CB-CE2 4.38Å; P300-Y302 WeakPolarHBondContact CD-OH 3.47Å; P300-Y302 HydrophobicContact CG-CE1 4.03Å; P300-Y302 WeakPolarHBondContact O-CD2 3.45Å; P300-Y302 WeakPolarHBondContact O-CE2 3.48Å; P300-Y302 PolarHBondContact O-N 3.1Å; P300-Y302 VanDerWaalsContact O-N 3.16Å
301D98.8Very high98.6Very high82 Ų8256.6 Ų56.644%0.43928%0.277SS..  trans-81.785.9167.2-172.5-19.5000108.9Y290 M303 Y304 L305Y290-D301 VanDerWaalsContact OH-CB 3.29Å; Y290-D301 WeakPolarHBondContact OH-CB 3.38Å; Y290-D301 PolarHBondContact OH-N 2.75Å; D301-M303 PolarHBondContact O-N 2.94Å; D301-M303 PolarHBondContact OD1-N 3.47Å; D301-M303 VanDerWaalsContact OD1-N 3.16Å; D301-Y304 VanDerWaalsContact CG-CB 3.41Å; D301-Y304 PolarHBondContact O-N 3.2Å; D301-Y304 PolarHBondContact OD1-N 3.23Å; D301-L305 WeakPolarHBondContact O-CG 3.34Å; D301-L305 PolarHBondContact O-N 3.34Å; D301-L305 VanDerWaalsContact O-N 3.11Å
302Y98.8Very high98.6Very high20 Ų2057 Ų578%0.07828%0.28CS..Hα-helixtrans-62.4-29.9-179.6-49.5-84.4000112.3I121 E125 H128 M232 P300 R306I121-Y302 HydrophobicContact CG2-CD1 4.24Å; E125-Y302 HydrophobicContact CB-CD1 3.65Å; E125-Y302 HydrophobicContact CB-CD2 4.11Å; E125-Y302 HydrophobicContact CB-CE1 3.97Å; E125-Y302 HydrophobicContact CB-CE2 4.41Å; E125-Y302 HydrophobicContact CB-CG 3.74Å; E125-Y302 HydrophobicContact CG-CD1 4.07Å; E125-Y302 HydrophobicContact CG-CD2 3.55Å; E125-Y302 HydrophobicContact CG-CE1 4.36Å; E125-Y302 HydrophobicContact CG-CE2 3.89Å; E125-Y302 HydrophobicContact CG-CG 3.66Å; E125-Y302 WeakPolarHBondContact OE1-CD2 3.5Å; H128-Y302 WeakPolarHBondContact CB-OH 3.38Å; H128-Y302 AromaticContact ND1-CE1 3.67Å; H128-Y302 AromaticContact ND1-CZ 3.59Å; H128-Y302 PolarHBondContact ND1-OH 3.38Å; M232-Y302 HydrophobicContact CE-CD1 3.97Å; M232-Y302 HydrophobicContact CE-CE1 4.26Å; M232-Y302 HydrophobicContact CG-CE1 4.48Å; M232-Y302 HydrophobicContact SD-CD1 4.13Å; M232-Y302 HydrophobicContact SD-CE1 3.83Å; P300-Y302 HydrophobicContact CB-CD1 4.26Å; P300-Y302 HydrophobicContact CB-CE1 3.87Å; P300-Y302 HydrophobicContact CB-CE2 4.38Å; P300-Y302 WeakPolarHBondContact CD-OH 3.47Å; P300-Y302 HydrophobicContact CG-CE1 4.03Å; P300-Y302 WeakPolarHBondContact O-CD2 3.45Å; P300-Y302 WeakPolarHBondContact O-CE2 3.48Å; P300-Y302 PolarHBondContact O-N 3.1Å; P300-Y302 VanDerWaalsContact O-N 3.16Å; Y302-R306 WeakPolarHBondContact O-CB 3.48Å; Y302-R306 WeakPolarHBondContact O-CG 3.4Å; Y302-R306 PolarHBondContact O-N 3.26Å
303M98.5Very high98.6Very high138 Ų13854.3 Ų54.368%0.6827%0.27SS*.Hα-helixtrans-68.6-46.6177.7-72.9-169.870.800110.6D301 L305 R306 Q307D301-M303 PolarHBondContact O-N 2.94Å; D301-M303 PolarHBondContact OD1-N 3.47Å; D301-M303 VanDerWaalsContact OD1-N 3.16Å; M303-L305 PolarHBondContact O-N 2.98Å; M303-R306 PolarHBondContact O-N 2.95Å; M303-Q307 WeakPolarHBondContact O-CB 3.13Å; M303-Q307 PolarHBondContact O-N 2.83Å
304Y98.7Very high98.6Very high86 Ų8658.8 Ų58.834%0.33727%0.268SS..Hα-helixtrans-55.5-49.4172.9167.6-105.8000111.6Y290 D301 R306 Q307 L308Y290-Y304 AromaticContact CD2-CD1 3.95Å; Y290-Y304 HydrophobicContact CD2-CD1 3.95Å; Y290-Y304 AromaticContact CD2-CE1 3.63Å; Y290-Y304 HydrophobicContact CD2-CE1 3.63Å; Y290-Y304 AromaticContact CE2-CD1 3.91Å; Y290-Y304 HydrophobicContact CE2-CD1 3.91Å; Y290-Y304 HydrophobicContact CE2-CE1 4.07Å; Y290-Y304 HydrophobicContact CG-CD1 4.44Å; Y290-Y304 HydrophobicContact CG-CE1 4.09Å; D301-Y304 VanDerWaalsContact CG-CB 3.41Å; D301-Y304 PolarHBondContact O-N 3.2Å; D301-Y304 PolarHBondContact OD1-N 3.23Å; Y304-R306 PolarHBondContact O-N 3.21Å; Y304-Q307 PolarHBondContact O-N 3.02Å; Y304-Q307 VanDerWaalsContact O-N 3.11Å; Y304-L308 PolarHBondContact O-N 2.81Å
305L98.8Very high98.6Very high0 Ų063.3 Ų63.30%030%0.296CS..Hα-helixtrans-63.8-39.1-178.4-65.8175.2000113I121 M232 Y287 Y290 D301 M303I121-L305 HydrophobicContact CD1-CB 4.16Å; M232-L305 HydrophobicContact CE-CD1 3.63Å; Y287-L305 HydrophobicContact CD2-CB 4.18Å; Y287-L305 HydrophobicContact CD2-CD1 4.44Å; Y287-L305 HydrophobicContact CD2-CD2 3.62Å; Y287-L305 HydrophobicContact CD2-CG 4.3Å; Y287-L305 HydrophobicContact CE2-CB 4.06Å; Y287-L305 HydrophobicContact CE2-CD1 3.96Å; Y287-L305 HydrophobicContact CE2-CD2 4Å; Y287-L305 HydrophobicContact CE2-CG 4.23Å; Y287-L305 HydrophobicContact CG-CD2 4.28Å; Y290-L305 HydrophobicContact CD1-CD1 3.99Å; Y290-L305 HydrophobicContact CD1-CD2 3.57Å; Y290-L305 HydrophobicContact CD1-CG 4.08Å; Y290-L305 HydrophobicContact CE1-CD1 3.91Å; Y290-L305 HydrophobicContact CE1-CD2 4.09Å; Y290-L305 HydrophobicContact CE1-CG 4.1Å; Y290-L305 HydrophobicContact CG-CD2 3.94Å; D301-L305 WeakPolarHBondContact O-CG 3.34Å; D301-L305 PolarHBondContact O-N 3.34Å; D301-L305 VanDerWaalsContact O-N 3.11Å; M303-L305 PolarHBondContact O-N 2.98Å
306R98.6Very high98.5Very high24 Ų2458.8 Ų58.89%0.09128%0.284CS..Hα-helixtrans-66.1-43.1171-78.3-171-70.2-95.1-5.2111.7D118 I121 S122 E125 Y302 M303 Y304 L308 F309 R310D118-R306 WeakPolarHBondContact OD1-CD 3.29Å; I121-R306 HydrophobicContact CB-CG 4Å; I121-R306 HydrophobicContact CD1-CG 4.04Å; I121-R306 HydrophobicContact CG2-CG 3.8Å; S122-R306 WeakPolarHBondContact OG-CD 3.47Å; S122-R306 PolarHBondContact OG-NH1 2.88Å; S122-R306 VanDerWaalsContact OG-NH1 3.13Å; E125-R306 IonicContact OE1-NH2 2.9Å; E125-R306 IonicContact OE2-CZ 3.48Å; E125-R306 IonicContact OE2-NH1 3.09Å; E125-R306 PolarHBondContact OE2-NH1 2.78Å; E125-R306 IonicContact OE2-NH2 3.79Å; E125-R306 PolarHBondContact OE2-NH2 2.95Å; Y302-R306 WeakPolarHBondContact O-CB 3.48Å; Y302-R306 WeakPolarHBondContact O-CG 3.4Å; Y302-R306 PolarHBondContact O-N 3.26Å; M303-R306 PolarHBondContact O-N 2.95Å; Y304-R306 PolarHBondContact O-N 3.21Å; R306-L308 VanDerWaalsContact C-N 3.27Å; R306-L308 PolarHBondContact O-N 2.88Å; R306-F309 PolarHBondContact O-N 2.81Å; R306-R310 WeakPolarHBondContact O-CB 3.38Å; R306-R310 VanDerWaalsContact O-CG 3.3Å; R306-R310 WeakPolarHBondContact O-CG 3.35Å; R306-R310 PolarHBondContact O-N 3.22Å
307Q98.4Very high98.5Very high78 Ų7864.6 Ų64.636%0.36432%0.316SS..Hα-helixtrans-63.5-37-176.1-170.96312.300111.6M303 Y304 F309 R310 I311M303-Q307 WeakPolarHBondContact O-CB 3.13Å; M303-Q307 PolarHBondContact O-N 2.83Å; Y304-Q307 PolarHBondContact O-N 3.02Å; Y304-Q307 VanDerWaalsContact O-N 3.11Å; Q307-F309 PolarHBondContact O-N 2.91Å; Q307-R310 PolarHBondContact O-N 3.04Å; Q307-I311 HydrophobicContact CG-CD1 3.77Å; Q307-I311 HydrophobicContact CG-CG1 4.18Å; Q307-I311 WeakPolarHBondContact O-CB 3.35Å; Q307-I311 VanDerWaalsContact O-CG1 3.26Å; Q307-I311 WeakPolarHBondContact O-CG1 3.36Å; Q307-I311 PolarHBondContact O-N 2.87Å
308L98.5Very high98.5Very high18 Ų1861.5 Ų61.59%0.09430%0.302CS..Hα-helixtrans-51.4-54173-170.669.9000111.3E283 M286 Y304 R306 L312E283-L308 HydrophobicContact CB-CD1 4.2Å; E283-L308 HydrophobicContact CB-CD2 4.01Å; E283-L308 HydrophobicContact CB-CG 3.74Å; E283-L308 HydrophobicContact CG-CD1 3.76Å; E283-L308 HydrophobicContact CG-CD2 4.47Å; E283-L308 HydrophobicContact CG-CG 3.7Å; E283-L308 WeakPolarHBondContact O-CD2 3.5Å; M286-L308 HydrophobicContact CB-CD1 4.44Å; M286-L308 HydrophobicContact CB-CD2 3.98Å; M286-L308 HydrophobicContact CE-CD1 3.67Å; M286-L308 HydrophobicContact SD-CD1 3.94Å; Y304-L308 PolarHBondContact O-N 2.81Å; R306-L308 VanDerWaalsContact C-N 3.27Å; R306-L308 PolarHBondContact O-N 2.88Å; L308-L312 PolarHBondContact O-N 2.92Å
309F98.8Very high98.3Very high4 Ų465.6 Ų65.62%0.01832%0.321CS..Hα-helixtrans-73.9-32.3179.4-66-49.7000113.6L114 A117 I121 L239 E283 F284 Y287 R306 Q307 L312 F313L114-F309 HydrophobicContact CD2-CB 3.8Å; L114-F309 HydrophobicContact CD2-CD1 3.44Å; L114-F309 VanDerWaalsContact CD2-CD1 3.44Å; L114-F309 HydrophobicContact CD2-CE1 4.31Å; L114-F309 HydrophobicContact CD2-CG 3.88Å; A117-F309 HydrophobicContact CB-CD2 3.87Å; A117-F309 HydrophobicContact CB-CE2 4.21Å; A117-F309 HydrophobicContact CB-CG 4.38Å; I121-F309 HydrophobicContact CD1-CD2 4.11Å; I121-F309 HydrophobicContact CD1-CE2 4.32Å; L239-F309 HydrophobicContact CD1-CE2 3.89Å; L239-F309 HydrophobicContact CD1-CZ 4.03Å; E283-F309 HydrophobicContact CB-CD1 4.19Å; E283-F309 HydrophobicContact CB-CE1 4.07Å; F284-F309 AromaticContact CD1-CE1 3.84Å; F284-F309 HydrophobicContact CD1-CE1 3.84Å; F284-F309 HydrophobicContact CD1-CZ 4.03Å; F284-F309 HydrophobicContact CD2-CE1 4.42Å; F284-F309 AromaticContact CE1-CE1 3.77Å; F284-F309 HydrophobicContact CE1-CE1 3.77Å; F284-F309 HydrophobicContact CE1-CZ 4.11Å; F284-F309 HydrophobicContact CE2-CE1 4.35Å; F284-F309 HydrophobicContact CG-CE1 4.17Å; F284-F309 HydrophobicContact CZ-CE1 4.04Å; Y287-F309 AromaticContact CD2-CE2 3.49Å; Y287-F309 HydrophobicContact CD2-CE2 3.49Å; Y287-F309 VanDerWaalsContact CD2-CE2 3.49Å; Y287-F309 AromaticContact CD2-CZ 3.87Å; Y287-F309 HydrophobicContact CD2-CZ 3.87Å; Y287-F309 HydrophobicContact CE2-CE2 4.06Å; Y287-F309 HydrophobicContact CG-CE2 4.13Å; Y287-F309 HydrophobicContact CG-CZ 4.03Å; R306-F309 PolarHBondContact O-N 2.81Å; Q307-F309 PolarHBondContact O-N 2.91Å; F309-L312 PolarHBondContact O-N 3.48Å; F309-F313 VanDerWaalsContact O-CB 3.25Å; F309-F313 WeakPolarHBondContact O-CB 3.4Å; F309-F313 PolarHBondContact O-N 3.05Å
310R98.3Very high97.9Very high109 Ų10966.8 Ų66.841%0.41131%0.314SS..Hα-helixtrans-67.2-36.7175.5-73.8174.9-179.6-167-4.9112.8D118 R306 Q307 R314D118-R310 IonicContact OD1-CZ 2.61Å; D118-R310 IonicContact OD1-NE 2.71Å; D118-R310 PolarHBondContact OD1-NE 3.07Å; D118-R310 IonicContact OD1-NH2 3.77Å; D118-R310 PolarHBondContact OD1-NH2 3.06Å; D118-R310 IonicContact OD2-NH2 3.19Å; D118-R310 PolarHBondContact OD2-NH2 2.96Å; R306-R310 WeakPolarHBondContact O-CB 3.38Å; R306-R310 VanDerWaalsContact O-CG 3.3Å; R306-R310 WeakPolarHBondContact O-CG 3.35Å; R306-R310 PolarHBondContact O-N 3.22Å; Q307-R310 PolarHBondContact O-N 3.04Å; R310-R314 WeakPolarHBondContact O-CG 3.23Å; R310-R314 PolarHBondContact O-N 3.27Å; R310-R314 PolarHBondContact O-NE 3.22Å
311I98.4Very high97.6Very high78 Ų7870 Ų7040%0.433%0.33SS..Hα-helixtrans-65.8-52.7174.1-69.8167.9000108.8Q307 F313 R314 T315Q307-I311 HydrophobicContact CG-CD1 3.77Å; Q307-I311 HydrophobicContact CG-CG1 4.18Å; Q307-I311 WeakPolarHBondContact O-CB 3.35Å; Q307-I311 VanDerWaalsContact O-CG1 3.26Å; Q307-I311 WeakPolarHBondContact O-CG1 3.36Å; Q307-I311 PolarHBondContact O-N 2.87Å; I311-F313 VanDerWaalsContact C-N 3.28Å; I311-F313 PolarHBondContact O-N 2.86Å; I311-R314 PolarHBondContact O-N 3.43Å; I311-T315 PolarHBondContact O-N 3.2Å; I311-T315 PolarHBondContact O-OG1 3.49Å; I311-T315 VanDerWaalsContact O-OG1 3.08Å
312L98.6Very high97.2Very high9 Ų970.5 Ų70.55%0.04733%0.327CS..Hα-helixtrans-54.1-44.2176.4175.762.2000112.3L114 P281 E283 F284 L308 F309 R314 T315 L316L114-L312 HydrophobicContact CD1-CD2 4.06Å; L114-L312 HydrophobicContact CD1-CG 4.02Å; L114-L312 HydrophobicContact CD2-CD2 3.89Å; P281-L312 HydrophobicContact CB-CD1 3.93Å; P281-L312 HydrophobicContact CB-CD2 3.5Å; P281-L312 HydrophobicContact CB-CG 4.37Å; P281-L312 HydrophobicContact CG-CD1 4.22Å; P281-L312 HydrophobicContact CG-CD2 3.87Å; E283-L312 HydrophobicContact CB-CD2 4.06Å; E283-L312 HydrophobicContact CG-CB 4.04Å; E283-L312 HydrophobicContact CG-CD2 4.06Å; F284-L312 HydrophobicContact CE2-CD2 4.42Å; L308-L312 PolarHBondContact O-N 2.92Å; F309-L312 PolarHBondContact O-N 3.48Å; L312-R314 VanDerWaalsContact C-N 3.31Å; L312-R314 PolarHBondContact O-N 3.3Å; L312-T315 PolarHBondContact O-N 3.44Å; L312-L316 HydrophobicContact CD1-CD1 3.95Å; L312-L316 HydrophobicContact CD1-CG 4.03Å; L312-L316 HydrophobicContact CG-CD1 4.07Å; L312-L316 HydrophobicContact CG-CG 4.49Å; L312-L316 WeakPolarHBondContact O-CG 3.17Å; L312-L316 PolarHBondContact O-N 2.79Å
313F98.4Very high96.9Very high14 Ų1471.4 Ų71.46%0.06134%0.335CS..Hα-helixtrans-57.2-43.2177.7-171.5-94.7000112.5K111 L114 M115 F309 I311 H318 Q319 Y320K111-F313 HydrophobicContact CG-CE2 3.76Å; K111-F313 HydrophobicContact CG-CZ 4.18Å; L114-F313 HydrophobicContact CB-CD2 3.73Å; L114-F313 HydrophobicContact CB-CE2 4.48Å; L114-F313 HydrophobicContact CD1-CB 4.14Å; L114-F313 HydrophobicContact CD1-CD2 4.06Å; M115-F313 HydrophobicContact CG-CE2 3.59Å; M115-F313 HydrophobicContact CG-CZ 3.84Å; M115-F313 HydrophobicContact SD-CE2 4.47Å; M115-F313 HydrophobicContact SD-CZ 4.28Å; F309-F313 VanDerWaalsContact O-CB 3.25Å; F309-F313 WeakPolarHBondContact O-CB 3.4Å; F309-F313 PolarHBondContact O-N 3.05Å; I311-F313 VanDerWaalsContact C-N 3.28Å; I311-F313 PolarHBondContact O-N 2.86Å; F313-H318 HydrophobicContact CD1-CB 3.81Å; F313-H318 HydrophobicContact CD2-CB 3.76Å; F313-H318 AromaticContact CD2-CD2 3.97Å; F313-H318 VanDerWaalsContact CE1-C 3.43Å; F313-H318 HydrophobicContact CE1-CB 3.53Å; F313-H318 VanDerWaalsContact CE1-O 3.22Å; F313-H318 WeakPolarHBondContact CE1-O 3.45Å; F313-H318 HydrophobicContact CE2-CB 3.48Å; F313-H318 VanDerWaalsContact CE2-CB 3.48Å; F313-H318 HydrophobicContact CG-CB 3.94Å; F313-H318 HydrophobicContact CZ-CB 3.37Å; F313-H318 WeakPolarHBondContact O-CB 3.11Å; F313-H318 PolarHBondContact O-N 2.99Å; F313-H318 VanDerWaalsContact O-N 3.11Å; F313-Q319 WeakPolarHBondContact CZ-O 3.25Å; F313-Y320 HydrophobicContact CE1-CD2 4.26Å; F313-Y320 HydrophobicContact CZ-CD2 4.22Å
314R98.1Very high96.8Very high153 Ų15364.9 Ų64.958%0.57730%0.302SS*.Hα-helixtrans-70.5-40.7176-71.5-176.3-68.6169.81.7112.1R310 I311 L312 L316 N317R310-R314 WeakPolarHBondContact O-CG 3.23Å; R310-R314 PolarHBondContact O-N 3.27Å; R310-R314 PolarHBondContact O-NE 3.22Å; I311-R314 PolarHBondContact O-N 3.43Å; L312-R314 VanDerWaalsContact C-N 3.31Å; L312-R314 PolarHBondContact O-N 3.3Å; R314-L316 PolarHBondContact O-N 3.3Å; R314-N317 WeakPolarHBondContact O-CA 3.22Å; R314-N317 PolarHBondContact O-N 3.3Å
315T98.3Very high96.6Very high102 Ų10261.7 Ų61.763%0.62629%0.291SS*.Hα-helixtrans-60.1-34.4176-57.20000111.9I311 L312 N317I311-T315 PolarHBondContact O-N 3.2Å; I311-T315 PolarHBondContact O-OG1 3.49Å; I311-T315 VanDerWaalsContact O-OG1 3.08Å; L312-T315 PolarHBondContact O-N 3.44Å; T315-N317 PolarHBondContact O-N 2.85Å
316L97.9Very high96.4Very high70 Ų7062.3 Ų62.337%0.36629%0.293SS..THydrogen-bonded Turntrans-80.38.9173.9-63.2176.3000113.6M110 L114 L312 R314 H318M110-L316 HydrophobicContact CG-CD1 3.67Å; L114-L316 HydrophobicContact CD1-CD1 4.15Å; L312-L316 HydrophobicContact CD1-CD1 3.95Å; L312-L316 HydrophobicContact CD1-CG 4.03Å; L312-L316 HydrophobicContact CG-CD1 4.07Å; L312-L316 HydrophobicContact CG-CG 4.49Å; L312-L316 WeakPolarHBondContact O-CG 3.17Å; L312-L316 PolarHBondContact O-N 2.79Å; R314-L316 PolarHBondContact O-N 3.3Å; L316-H318 PolarHBondContact O-CE1 3.5Å; L316-H318 PolarHBondContact O-N 2.94Å; L316-H318 PolarHBondContact O-ND1 3.4Å; L316-H318 VanDerWaalsContact O-ND1 3.17Å
317N97.9Very high96Very high139 Ų13962.8 Ų62.874%0.74330%0.299SS*.THydrogen-bonded Turntrans54.532.1-179.1-62.4-45.8000113.8R314 T315R314-N317 WeakPolarHBondContact O-CA 3.22Å; R314-N317 PolarHBondContact O-N 3.3Å; T315-N317 PolarHBondContact O-N 2.85Å
318H97.6Very high95.5Very high51 Ų5163.2 Ų63.224%0.23630%0.302CS..  trans-83.5146.5176.1-63.1-20.9000111.3K111 F313 L316K111-H318 HydrophobicContact CG-CB 4.12Å; F313-H318 HydrophobicContact CD1-CB 3.81Å; F313-H318 HydrophobicContact CD2-CB 3.76Å; F313-H318 AromaticContact CD2-CD2 3.97Å; F313-H318 VanDerWaalsContact CE1-C 3.43Å; F313-H318 HydrophobicContact CE1-CB 3.53Å; F313-H318 VanDerWaalsContact CE1-O 3.22Å; F313-H318 WeakPolarHBondContact CE1-O 3.45Å; F313-H318 HydrophobicContact CE2-CB 3.48Å; F313-H318 VanDerWaalsContact CE2-CB 3.48Å; F313-H318 HydrophobicContact CG-CB 3.94Å; F313-H318 HydrophobicContact CZ-CB 3.37Å; F313-H318 WeakPolarHBondContact O-CB 3.11Å; F313-H318 PolarHBondContact O-N 2.99Å; F313-H318 VanDerWaalsContact O-N 3.11Å; L316-H318 PolarHBondContact O-CE1 3.5Å; L316-H318 PolarHBondContact O-N 2.94Å; L316-H318 PolarHBondContact O-ND1 3.4Å; L316-H318 VanDerWaalsContact O-ND1 3.17Å
319Q94.4Very high95Very high140 Ų14065.7 Ų65.765%0.65432%0.315SS*.  trans-104.6139.3173.9-62.5-60.1-34.600110.1K111 F313 D321K111-Q319 VanDerWaalsContact CE-O 3.24Å; K111-Q319 WeakPolarHBondContact CE-O 3.5Å; F313-Q319 WeakPolarHBondContact CZ-O 3.25Å; Q319-D321 PolarHBondContact O-N 2.93Å
320Y91.3Very high94.4Very high82 Ų8270 Ų7032%0.32233%0.334SS..  trans-84.169.5179.6-155.9-87.6000110M115 F313 Y322M115-Y320 HydrophobicContact CB-CE2 4.07Å; M115-Y320 HydrophobicContact CG-CD2 3.89Å; M115-Y320 HydrophobicContact CG-CE2 3.76Å; M115-Y320 HydrophobicContact SD-CD2 4.4Å; F313-Y320 HydrophobicContact CE1-CD2 4.26Å; F313-Y320 HydrophobicContact CZ-CD2 4.22Å; Y320-Y322 HydrophobicContact CD1-CE1 4.12Å; Y320-Y322 HydrophobicContact CD1-CE2 4.15Å; Y320-Y322 AromaticContact CD1-CZ 3.89Å; Y320-Y322 AromaticContact CE1-CD1 3.99Å; Y320-Y322 HydrophobicContact CE1-CD1 3.99Å; Y320-Y322 AromaticContact CE1-CE1 3.35Å; Y320-Y322 HydrophobicContact CE1-CE1 3.35Å; Y320-Y322 HydrophobicContact CE1-CE2 4.15Å; Y320-Y322 AromaticContact CE1-CZ 3.44Å; Y320-Y322 VanDerWaalsContact CE1-CZ 3.44Å
321D91.7Very high93.7Very high73 Ų7369.8 Ų69.839%0.3934%0.338SS..SBendtrans-101.45.9-172.858.314.9000113.2K111 Q319 T323K111-D321 WeakPolarHBondContact CE-OD1 3.46Å; K111-D321 IonicContact NZ-OD1 2.74Å; K111-D321 PolarHBondContact NZ-OD1 2.91Å; K111-D321 IonicContact NZ-OD2 2.8Å; K111-D321 PolarHBondContact NZ-OD2 3.1Å; Q319-D321 PolarHBondContact O-N 2.93Å; D321-T323 PolarHBondContact O-N 3.33Å; D321-T323 VanDerWaalsContact O-N 3.08Å; D321-T323 WeakPolarHBondContact OD1-CA 3.42Å; D321-T323 WeakPolarHBondContact OD1-CB 3.32Å; D321-T323 PolarHBondContact OD1-N 3.2Å; D321-T323 PolarHBondContact OD1-OG1 3.23Å
322Y91.5Very high93Very high92 Ų9271.6 Ų71.636%0.36134%0.342SS..  trans54.821.8-173.2-56-82.1000114.4N179 Y320 F324N179-Y322 HydrophobicContact CB-CD1 3.66Å; N179-Y322 HydrophobicContact CB-CE1 4.28Å; N179-Y322 HydrophobicContact CB-CG 3.84Å; N179-Y322 WeakPolarHBondContact ND2-CB 3.26Å; Y320-Y322 HydrophobicContact CD1-CE1 4.12Å; Y320-Y322 HydrophobicContact CD1-CE2 4.15Å; Y320-Y322 AromaticContact CD1-CZ 3.89Å; Y320-Y322 AromaticContact CE1-CD1 3.99Å; Y320-Y322 HydrophobicContact CE1-CD1 3.99Å; Y320-Y322 AromaticContact CE1-CE1 3.35Å; Y320-Y322 HydrophobicContact CE1-CE1 3.35Å; Y320-Y322 HydrophobicContact CE1-CE2 4.15Å; Y320-Y322 AromaticContact CE1-CZ 3.44Å; Y320-Y322 VanDerWaalsContact CE1-CZ 3.44Å; Y322-F324 HydrophobicContact CD1-CE2 4.47Å; Y322-F324 WeakPolarHBondContact O-CD2 3.28Å; Y322-F324 PolarHBondContact O-N 3.15Å
323T92.8Very high92.3Very high40 Ų4073.8 Ų73.825%0.24536%0.362CS..  trans-87.287.7174.1-58.70000109.3D321 M328D321-T323 PolarHBondContact O-N 3.33Å; D321-T323 VanDerWaalsContact O-N 3.08Å; D321-T323 WeakPolarHBondContact OD1-CA 3.42Å; D321-T323 WeakPolarHBondContact OD1-CB 3.32Å; D321-T323 PolarHBondContact OD1-N 3.2Å; D321-T323 PolarHBondContact OD1-OG1 3.23Å; T323-M328 HydrophobicContact CG2-CG 3.76Å; T323-M328 HydrophobicContact CG2-SD 4.46Å
324F95Very high91.5Very high0 Ų076.2 Ų76.20%038%0.384CS..  trans-78.5165.7172.8-57.4-81.6000111.9T112 M115 L116 M144 Y322 W326 T327 M328T112-F324 HydrophobicContact CG2-CD1 4.12Å; M115-F324 HydrophobicContact CB-CE1 3.78Å; M115-F324 HydrophobicContact CB-CZ 4.47Å; M115-F324 HydrophobicContact CE-CD1 3.61Å; M115-F324 HydrophobicContact CE-CE1 3.81Å; M115-F324 HydrophobicContact CE-CG 4.13Å; M115-F324 HydrophobicContact CE-CZ 4.47Å; L116-F324 HydrophobicContact CD2-CE1 4.06Å; L116-F324 HydrophobicContact CG-CE1 4.15Å; M144-F324 HydrophobicContact CE-CE2 4.07Å; M144-F324 HydrophobicContact CE-CZ 4.47Å; Y322-F324 HydrophobicContact CD1-CE2 4.47Å; Y322-F324 WeakPolarHBondContact O-CD2 3.28Å; Y322-F324 PolarHBondContact O-N 3.15Å; F324-W326 VanDerWaalsContact C-N 3.3Å; F324-W326 HydrophobicContact CB-CD2 3.65Å; F324-W326 HydrophobicContact CB-CE3 3.99Å; F324-W326 HydrophobicContact CB-CG 4.29Å; F324-W326 HydrophobicContact CB-CH2 3.73Å; F324-W326 HydrophobicContact CB-CZ2 3.37Å; F324-W326 HydrophobicContact CB-CZ3 4.02Å; F324-W326 AromaticContact CD1-CH2 3.56Å; F324-W326 HydrophobicContact CD1-CH2 3.56Å; F324-W326 AromaticContact CD1-CZ2 3.58Å; F324-W326 HydrophobicContact CD1-CZ2 3.58Å; F324-W326 HydrophobicContact CD1-CZ3 4.39Å; F324-W326 AromaticContact CD2-CE2 3.9Å; F324-W326 HydrophobicContact CD2-CH2 4.37Å; F324-W326 AromaticContact CD2-CZ2 3.54Å; F324-W326 HydrophobicContact CD2-CZ2 3.54Å; F324-W326 AromaticContact CD2-NE1 3.97Å; F324-W326 HydrophobicContact CE1-CH2 4.23Å; F324-W326 HydrophobicContact CE1-CZ2 4.2Å; F324-W326 HydrophobicContact CE2-CZ2 4.18Å; F324-W326 HydrophobicContact CG-CD2 4.44Å; F324-W326 AromaticContact CG-CE2 3.64Å; F324-W326 AromaticContact CG-CH2 3.64Å; F324-W326 HydrophobicContact CG-CH2 3.64Å; F324-W326 AromaticContact CG-CZ2 3.2Å; F324-W326 HydrophobicContact CG-CZ2 3.2Å; F324-W326 HydrophobicContact CG-CZ3 4.4Å; F324-W326 HydrophobicContact CZ-CZ2 4.47Å; F324-W326 PolarHBondContact O-N 2.98Å; F324-T327 WeakPolarHBondContact O-CA 3.38Å; F324-T327 VanDerWaalsContact O-CB 3.22Å; F324-T327 WeakPolarHBondContact O-CB 3.32Å; F324-T327 PolarHBondContact O-N 3.32Å; F324-M328 PolarHBondContact O-N 3.41Å
325D95.6Very high90.6Very high19 Ų1975.2 Ų75.210%0.10239%0.386CS..Hα-helixtrans-58.1-41.3-178.3-57.6-25.5000112.5F108 T109 T112 T327 M328 L329F108-D325 WeakPolarHBondContact CA-OD2 3.33Å; F108-D325 HydrophobicContact CD1-CB 4.49Å; T109-D325 WeakPolarHBondContact CB-OD1 3.49Å; T109-D325 WeakPolarHBondContact CG2-OD1 3.25Å; T109-D325 PolarHBondContact N-OD2 2.74Å; T109-D325 PolarHBondContact OG1-OD1 3.44Å; T109-D325 PolarHBondContact OG1-OD2 2.77Å; T112-D325 WeakPolarHBondContact CB-OD2 3.46Å; T112-D325 PolarHBondContact OG1-N 3.1Å; T112-D325 VanDerWaalsContact OG1-N 3.09Å; T112-D325 PolarHBondContact OG1-OD1 3.26Å; T112-D325 PolarHBondContact OG1-OD2 3.14Å; D325-T327 VanDerWaalsContact C-N 3.27Å; D325-T327 PolarHBondContact O-N 3.02Å; D325-M328 PolarHBondContact O-N 3.21Å; D325-L329 WeakPolarHBondContact O-CG 3.42Å; D325-L329 PolarHBondContact O-N 2.93Å; D325-L329 VanDerWaalsContact O-N 3.1Å
326W94Very high89.8Confident13 Ų1376.9 Ų76.95%0.04939%0.387CS..Hα-helixtrans-68-27176.556.480.7000112.9L97 L100 F103 C104 F108 T112 L116 M144 F324 K330L97-W326 HydrophobicContact CD2-CH2 4.28Å; L100-W326 HydrophobicContact CB-CD2 4.23Å; L100-W326 HydrophobicContact CB-CE3 3.86Å; L100-W326 HydrophobicContact CB-CZ3 4.19Å; L100-W326 HydrophobicContact CD1-CD2 3.94Å; L100-W326 HydrophobicContact CD1-CE3 4.15Å; L100-W326 HydrophobicContact CD1-CH2 4.1Å; L100-W326 HydrophobicContact CD1-CZ2 3.87Å; L100-W326 HydrophobicContact CD1-CZ3 4.23Å; L100-W326 HydrophobicContact CD2-CB 4Å; L100-W326 HydrophobicContact CD2-CD2 3.9Å; L100-W326 HydrophobicContact CD2-CE3 4.38Å; L100-W326 HydrophobicContact CD2-CG 3.73Å; L100-W326 HydrophobicContact CG-CD2 4.25Å; L100-W326 HydrophobicContact CG-CE3 4.36Å; F103-W326 HydrophobicContact CD1-CB 3.83Å; F103-W326 HydrophobicContact CE1-CB 4.04Å; C104-W326 PolarHBondContact SG-N 2.92Å; F108-W326 HydrophobicContact CD1-CZ3 4.4Å; F108-W326 AromaticContact CE1-CE3 3.74Å; F108-W326 HydrophobicContact CE1-CE3 3.74Å; F108-W326 AromaticContact CE1-CZ3 3.66Å; F108-W326 HydrophobicContact CE1-CZ3 3.66Å; F108-W326 HydrophobicContact CE2-CZ3 4.26Å; F108-W326 HydrophobicContact CZ-CE3 4.02Å; F108-W326 AromaticContact CZ-CZ3 3.58Å; F108-W326 HydrophobicContact CZ-CZ3 3.58Å; T112-W326 HydrophobicContact CG2-CH2 4.15Å; T112-W326 HydrophobicContact CG2-CZ3 3.72Å; L116-W326 HydrophobicContact CD1-CH2 4.08Å; L116-W326 HydrophobicContact CD1-CZ3 4.39Å; L116-W326 HydrophobicContact CD2-CH2 4.13Å; L116-W326 HydrophobicContact CG-CH2 4.38Å; M144-W326 HydrophobicContact CE-CZ2 4.4Å; M144-W326 HydrophobicContact CG-CZ2 4.27Å; M144-W326 HydrophobicContact SD-CZ2 4.12Å; F324-W326 VanDerWaalsContact C-N 3.3Å; F324-W326 HydrophobicContact CB-CD2 3.65Å; F324-W326 HydrophobicContact CB-CE3 3.99Å; F324-W326 HydrophobicContact CB-CG 4.29Å; F324-W326 HydrophobicContact CB-CH2 3.73Å; F324-W326 HydrophobicContact CB-CZ2 3.37Å; F324-W326 HydrophobicContact CB-CZ3 4.02Å; F324-W326 AromaticContact CD1-CH2 3.56Å; F324-W326 HydrophobicContact CD1-CH2 3.56Å; F324-W326 AromaticContact CD1-CZ2 3.58Å; F324-W326 HydrophobicContact CD1-CZ2 3.58Å; F324-W326 HydrophobicContact CD1-CZ3 4.39Å; F324-W326 AromaticContact CD2-CE2 3.9Å; F324-W326 HydrophobicContact CD2-CH2 4.37Å; F324-W326 AromaticContact CD2-CZ2 3.54Å; F324-W326 HydrophobicContact CD2-CZ2 3.54Å; F324-W326 AromaticContact CD2-NE1 3.97Å; F324-W326 HydrophobicContact CE1-CH2 4.23Å; F324-W326 HydrophobicContact CE1-CZ2 4.2Å; F324-W326 HydrophobicContact CE2-CZ2 4.18Å; F324-W326 HydrophobicContact CG-CD2 4.44Å; F324-W326 AromaticContact CG-CE2 3.64Å; F324-W326 AromaticContact CG-CH2 3.64Å; F324-W326 HydrophobicContact CG-CH2 3.64Å; F324-W326 AromaticContact CG-CZ2 3.2Å; F324-W326 HydrophobicContact CG-CZ2 3.2Å; F324-W326 HydrophobicContact CG-CZ3 4.4Å; F324-W326 HydrophobicContact CZ-CZ2 4.47Å; F324-W326 PolarHBondContact O-N 2.98Å; W326-K330 WeakPolarHBondContact O-CB 3.45Å; W326-K330 VanDerWaalsContact O-CG 3.26Å; W326-K330 WeakPolarHBondContact O-CG 3.4Å; W326-K330 PolarHBondContact O-N 2.92Å; W326-K330 VanDerWaalsContact O-N 3.09Å
327T90.6Very high88.9Confident34 Ų3476.6 Ų76.621%0.20940%0.395CS..Hα-helixtrans-64.8-45.2174.8-56.20000109.7F324 D325 K330 Q331F324-T327 WeakPolarHBondContact O-CA 3.38Å; F324-T327 VanDerWaalsContact O-CB 3.22Å; F324-T327 WeakPolarHBondContact O-CB 3.32Å; F324-T327 PolarHBondContact O-N 3.32Å; D325-T327 VanDerWaalsContact C-N 3.27Å; D325-T327 PolarHBondContact O-N 3.02Å; T327-K330 PolarHBondContact O-N 3.45Å; T327-Q331 WeakPolarHBondContact O-CG 3.32Å; T327-Q331 PolarHBondContact O-N 3.43Å; T327-Q331 VanDerWaalsContact O-N 3.11Å
328M88.1Confident87.8Confident87 Ų8773.6 Ų73.643%0.42939%0.389SS..Hα-helixtrans-65.2-43.6177.3-67.4-175.855.200112.7T323 F324 D325 K330 Q331 K332T323-M328 HydrophobicContact CG2-CG 3.76Å; T323-M328 HydrophobicContact CG2-SD 4.46Å; F324-M328 PolarHBondContact O-N 3.41Å; D325-M328 PolarHBondContact O-N 3.21Å; M328-K330 VanDerWaalsContact C-N 3.32Å; M328-K330 PolarHBondContact O-N 3.41Å; M328-Q331 PolarHBondContact O-N 2.71Å; M328-K332 WeakPolarHBondContact O-CG 3.44Å; M328-K332 PolarHBondContact O-N 2.93Å
329L86.9Confident86.6Confident71 Ų7175.4 Ų75.437%0.37241%0.408SS..Hα-helixtrans-61.4-40.9178.7-71173.9000111.7F103 C104 D325 K332 A333F103-L329 HydrophobicContact CD1-CD1 4.23Å; F103-L329 HydrophobicContact CE1-CB 3.81Å; F103-L329 HydrophobicContact CE1-CD1 4.05Å; F103-L329 HydrophobicContact CZ-CB 4.27Å; C104-L329 HydrophobicContact CB-CD1 4.35Å; D325-L329 WeakPolarHBondContact O-CG 3.42Å; D325-L329 PolarHBondContact O-N 2.93Å; D325-L329 VanDerWaalsContact O-N 3.1Å; L329-K332 PolarHBondContact O-N 3.34Å; L329-A333 WeakPolarHBondContact O-CB 3.43Å; L329-A333 PolarHBondContact O-N 2.99Å
330K86.4Confident85.1Confident95 Ų9573.1 Ų73.141%0.41341%0.407SS..Hα-helixtrans-63.9-42.6175.5-73.8174.6-177.1-178.90112.3F103 W326 T327 M328 A333 A334F103-K330 HydrophobicContact CE1-CG 4.34Å; F103-K330 HydrophobicContact CZ-CG 4.29Å; W326-K330 WeakPolarHBondContact O-CB 3.45Å; W326-K330 VanDerWaalsContact O-CG 3.26Å; W326-K330 WeakPolarHBondContact O-CG 3.4Å; W326-K330 PolarHBondContact O-N 2.92Å; W326-K330 VanDerWaalsContact O-N 3.09Å; T327-K330 PolarHBondContact O-N 3.45Å; M328-K330 VanDerWaalsContact C-N 3.32Å; M328-K330 PolarHBondContact O-N 3.41Å; K330-A333 PolarHBondContact O-N 2.96Å; K330-A334 WeakPolarHBondContact O-CB 3.44Å; K330-A334 PolarHBondContact O-N 3.36Å
331Q84.6Confident83.4Confident104 Ų10472.5 Ų72.549%0.48643%0.426SS..Hα-helixtrans-62.9-45.1177-72.9172.3-5.700111.8T327 M328 A333 A334 Q335T327-Q331 WeakPolarHBondContact O-CG 3.32Å; T327-Q331 PolarHBondContact O-N 3.43Å; T327-Q331 VanDerWaalsContact O-N 3.11Å; M328-Q331 PolarHBondContact O-N 2.71Å; Q331-A333 PolarHBondContact O-N 3.48Å; Q331-A334 PolarHBondContact O-N 3.05Å; Q331-Q335 WeakPolarHBondContact O-CG 3.49Å; Q331-Q335 PolarHBondContact O-N 3.28Å
332K83.8Confident81.3Confident115 Ų11572.1 Ų72.150%0.544%0.439SS..Hα-helixtrans-61-45176.5-73.7-177.8177.9-176.20112.2M328 L329 A334 Q335 Q336M328-K332 WeakPolarHBondContact O-CG 3.44Å; M328-K332 PolarHBondContact O-N 2.93Å; L329-K332 PolarHBondContact O-N 3.34Å; K332-A334 VanDerWaalsContact C-N 3.33Å; K332-A334 PolarHBondContact O-N 2.88Å; K332-Q335 PolarHBondContact O-N 3.09Å; K332-Q336 WeakPolarHBondContact O-CG 3.38Å; K332-Q336 PolarHBondContact O-N 3.03Å
333A82.8Confident79.1Confident56 Ų5677 Ų7746%0.46347%0.465SS..Hα-helixtrans-62.1-40.7177.300000112.1L329 K330 Q331 Q336 A337L329-A333 WeakPolarHBondContact O-CB 3.43Å; L329-A333 PolarHBondContact O-N 2.99Å; K330-A333 PolarHBondContact O-N 2.96Å; Q331-A333 PolarHBondContact O-N 3.48Å; A333-Q336 PolarHBondContact O-N 3.25Å; A333-A337 WeakPolarHBondContact O-CB 3.48Å; A333-A337 PolarHBondContact O-N 3.04Å
334A82.1Confident76.9Confident64 Ų6478.2 Ų78.253%0.52949%0.486SS..Hα-helixtrans-65.2-40.8176.600000112.5K330 Q331 K332 A337 A338K330-A334 WeakPolarHBondContact O-CB 3.44Å; K330-A334 PolarHBondContact O-N 3.36Å; Q331-A334 PolarHBondContact O-N 3.05Å; K332-A334 VanDerWaalsContact C-N 3.33Å; K332-A334 PolarHBondContact O-N 2.88Å; A334-A337 PolarHBondContact O-N 3.1Å; A334-A338 PolarHBondContact O-N 3.31Å
335Q80.3Confident74.7Confident133 Ų13387.4 Ų87.462%0.62153%0.529SS*.Hα-helixtrans-63.9-44.3176.2-72.2168.7-0.700111.8Q331 K332 A337 A338 S339Q331-Q335 WeakPolarHBondContact O-CG 3.49Å; Q331-Q335 PolarHBondContact O-N 3.28Å; K332-Q335 PolarHBondContact O-N 3.09Å; Q335-A337 VanDerWaalsContact C-N 3.35Å; Q335-A337 PolarHBondContact O-N 3.01Å; Q335-A338 PolarHBondContact O-N 2.96Å; Q335-S339 PolarHBondContact O-N 3.42Å; Q335-S339 PolarHBondContact O-OG 3.18Å
336Q79.9Confident71.9Confident136 Ų13695.4 Ų95.464%0.63657%0.565SS**Hα-helixtrans-64.4-37.1177.4-72.3175.3-6.100112.9K332 A333 A338 S339 S340K332-Q336 WeakPolarHBondContact O-CG 3.38Å; K332-Q336 PolarHBondContact O-N 3.03Å; A333-Q336 PolarHBondContact O-N 3.25Å; Q336-A338 VanDerWaalsContact C-N 3.35Å; Q336-S339 WeakPolarHBondContact CA-OG 3.31Å; Q336-S339 PolarHBondContact O-OG 2.97Å; Q336-S340 PolarHBondContact O-N 3.23Å; Q336-S340 PolarHBondContact O-OG 3.45Å
337A79.2Confident69.3Low65 Ų6599.6 Ų99.654%0.53760%0.603SS.*Hα-helixtrans-68.7-33174.700000112.4A333 A334 Q335 S340A333-A337 WeakPolarHBondContact O-CB 3.48Å; A333-A337 PolarHBondContact O-N 3.04Å; A334-A337 PolarHBondContact O-N 3.1Å; Q335-A337 VanDerWaalsContact C-N 3.35Å; Q335-A337 PolarHBondContact O-N 3.01Å; A337-S340 PolarHBondContact O-OG 2.65Å
338A76.3Confident66.8Low75 Ų75106.4 Ų106.462%0.6263%0.632SS**Hα-helixtrans-72.9-38.4176.200000112.4A334 Q335 Q336A334-A338 PolarHBondContact O-N 3.31Å; Q335-A338 PolarHBondContact O-N 2.96Å; Q336-A338 VanDerWaalsContact C-N 3.35Å
339S71.9Confident64.5Low89 Ų89108.5 Ų108.562%0.62265%0.65SS**Hα-helixtrans-70.4-31.7178.551.50000113.8Q335 Q336Q335-S339 PolarHBondContact O-N 3.42Å; Q335-S339 PolarHBondContact O-OG 3.18Å; Q336-S339 WeakPolarHBondContact CA-OG 3.31Å; Q336-S339 PolarHBondContact O-OG 2.97Å
340S62.2Low62.2Low93 Ų93111 Ų11165%0.6567%0.67SS**Hα-helixtrans-81.6-17.3-179.748.70000113.8Q336 A337 G342Q336-S340 PolarHBondContact O-N 3.23Å; Q336-S340 PolarHBondContact O-OG 3.45Å; A337-S340 PolarHBondContact O-OG 2.65Å; S340-G342 VanDerWaalsContact C-N 3.35Å
341G56.2Low59.8Low69 Ų69113 Ų11371%0.71169%0.691SS**THydrogen-bonded Turntrans-82.3-2.717600000115.7
342G47.7Very low57.5Low65 Ų65111.7 Ų111.767%0.6771%0.705SS**THydrogen-bonded Turntrans-99.4-2.9-172.100000117S340S340-G342 VanDerWaalsContact C-N 3.35Å
343Q44.6Very low55.2Low195 Ų195116.4 Ų116.491%0.91173%0.726SS**SBendtrans-107.826.2-175.1-83-171.1-17.200114.9
344G47.9Very low53.1Low65 Ų65122.8 Ų122.867%0.6775%0.746SS**  trans-127.555-176.600000114.6
345Q47.2Very low50.8Low193 Ų193125.9 Ų125.990%0.90276%0.759SS**  trans-172.982.4157.9-107.6165.826.500111.8
346Q37.5Very low48.7Very low186 Ų186127 Ų12787%0.86977%0.768SS**  trans-136.178.8148.4-90.6-174.2-9.400107.5Q348Q346-Q348 PolarHBondContact O-N 3.28Å
347A38.6Very low46.8Very low101 Ų101130 Ų13084%0.83578%0.78SS**  trans-75.1104.8161.600000107T349A347-T349 PolarHBondContact O-N 2.83Å
348Q38Very low45.1Very low178 Ų178133.1 Ų133.183%0.83279%0.794SS**  trans-66.4115.1166.9-76.1177-8.800108.7Q346Q346-Q348 PolarHBondContact O-N 3.28Å
349T41.3Very low43.5Very low131 Ų131139.1 Ų139.180%0.80481%0.806SS**PPolyproline II helixtrans-72.9130.2160.436.10000110.2A347A347-T349 PolarHBondContact O-N 2.83Å
350P38.3Very low41.9Very low123 Ų123140.2 Ų140.280%0.79981%0.814SS**PPolyproline II helixtrans-99.2120.7155.65.714.8000109.8
351T36.5Very low40.7Very low138 Ų138142.9 Ų142.985%0.84782%0.821SS**PPolyproline II helixtrans-59.114316640.70000112.1
352G34.8Very low39.9Very low76 Ų76146.9 Ų146.978%0.78482%0.823SS**PPolyproline II helixtrans-75.3171.1-171.200000117.1
353K35.2Very low39.6Very low213 Ų213153 Ų15393%0.92683%0.831SS**  trans-140.7124.8154.3-83.6-171.5175.1-1790109.3
354Q39.6Very low39.5Very low191 Ų191151.2 Ų151.289%0.89387%0.865SS**  trans-71.7141.3161.2-93.9169.6-16.100109.5
355T34.8Very low39Very low129 Ų129155.5 Ų155.579%0.79187%0.874SS**  trans-169.8121134.3400000110.7
356D35.9Very low38.6Very low155 Ų155153.5 Ų153.583%0.82987%0.873SS**  trans55.8126.8137.9-58.1-36000124.4
357K38.5Very low38.7Very low200 Ų200151.7 Ų151.787%0.8787%0.873SS**  trans-66.6154.5157.3-89-178.4176.2175.80110.4
358P45.3Very low38.7Very low130 Ų130154.7 Ų154.784%0.84488%0.875SS**  -144.3167.287.930.8-9.9000116.5
359K42.5Very low38.7Very low202 Ų202153.3 Ų153.388%0.87888%0.878SS**  trans-52.8149.8175.3-60.6167.4172.4176.20113.4
360S37.6Very low38.5Very low112 Ų112154.7 Ų154.778%0.78388%0.883SS**  171137117.461.50000114.3
361N36.3Very low38.6Very low148 Ų148157 Ų15779%0.79189%0.889SS**  trans63.1117.6138.3-81.82.8000124.1
362M40.5Very low38.7Very low154 Ų154158.5 Ų158.576%0.75989%0.892SS**  59.5129.9113.3-107.7-169.1-177.800121.9
363K41.1Very low39.1Very low194 Ų194165.3 Ų165.384%0.84390%0.901SS**  trans81.5132.8146.2-68.9-176178.8-176.80118.9
364G41.5Very low39.4Very low156 Ų156161 Ų161100%1.60890%0.899SS**  trans150.80169.800000109.7

Retrieved 364 of 364 residues in 2608.3 ms (Link to these results)

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